| MCULE-9694482286 |
1 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-3609746722 |
1 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MolPort-035-668-917 |
1 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
|
|
| MolPort-046-594-236 |
1 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
|
|
| MolPort-044-179-667 |
1 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MolPort-002-526-469 |
1 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-046-597-999 |
0.86 |
CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-000-710-663 |
0.85 |
[I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-009-758-349 |
0.85 |
[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
|
|
| MCULE-4557116195 |
0.84 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
|
|
| MCULE-3290305628 |
0.84 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
|
|
| MolPort-044-181-432 |
0.84 |
Cl.O[C@H]1CC[C@@H]2CN3CCC4=CC5=C(OCO5)C=C4[C@@H]3C[C@@H]2C1
|
|
| MCULE-5788232203 |
0.81 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MCULE-4289242615 |
0.81 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9582795993 |
0.81 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-9646553011 |
0.81 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-2217428265 |
0.81 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-7728607823 |
0.81 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MolPort-020-005-766 |
0.81 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-046-594-424 |
0.81 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
|
|
| MolPort-046-158-499 |
0.81 |
CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
|
|
| MolPort-001-742-071 |
0.81 |
CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-046-793-208 |
0.80 |
Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
|
|
| MolPort-046-766-053 |
0.79 |
COC1=CC=C2C(CN(C)CC2=C1)C1(O)CCCCC1
|
|
| MolPort-046-693-204 |
0.79 |
COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
|
|
| MolPort-001-924-855 |
0.79 |
COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-046-418-253 |
0.78 |
COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-006-393-733 |
0.78 |
COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-006-393-731 |
0.78 |
COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-028-744-724 |
0.78 |
COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
|
|
| MCULE-6498289847 |
0.78 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
|
|
| MCULE-1446120151 |
0.78 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-9667743097 |
0.78 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-7105035945 |
0.78 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
|
|
| MCULE-7105415085 |
0.78 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
|
|
| MolPort-009-757-539 |
0.78 |
Cl.COC1=CC2=C(C=C1OC)[C@@]1(CCC(O)CC1)CN(C)C2
|
|
| MCULE-4573182060 |
0.76 |
N12CCC(=O)CC1CC1=CC3OCOC=3C=C1C2
|
|
| MolPort-009-753-175 |
0.75 |
OC12CCCCC1C(NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-044-179-928 |
0.75 |
OC12CCCCC1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-514-912 |
0.75 |
O[C@]12CCCC[C@H]1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-515-483 |
0.75 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
|
|
| MCULE-1643056995 |
0.75 |
C12CCCCC1(O)CCNC2C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8445759058 |
0.75 |
[C@@]12([H])CCCC[C@]1(O)CCN[C@H]2C1=CC=C2C(OCO2)=C1
|
|
| MCULE-3515640577 |
0.75 |
Cl.C12CCCCC1(O)CCNC2C1C=CC2=C(OCO2)C=1
|
|
| MCULE-9316066032 |
0.75 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
|
|
| MCULE-8029878723 |
0.75 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-4471227410 |
0.75 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MolPort-044-179-163 |
0.75 |
Cl.OC12CCCCC1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-016-583-687 |
0.75 |
Cl.OC12CCCCC1C(NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-030-042-292 |
0.75 |
OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
|
|
| MolPort-000-882-129 |
0.75 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-046-762-432 |
0.74 |
O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@@H]1O
|
|
| MolPort-002-516-922 |
0.74 |
COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-289 |
0.74 |
COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-834-329 |
0.74 |
COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-616-016 |
0.74 |
OC12CCCCC1C(N(CC1=CC(F)=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-515-612 |
0.74 |
COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-002-516-603 |
0.74 |
COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-522-202 |
0.74 |
COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-000-707-381 |
0.74 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-000-739-651 |
0.74 |
[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 |
0.74 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-046-600-616 |
0.74 |
COC1=CC=C(CN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
|
|
| MCULE-5907992453 |
0.74 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-2104347335 |
0.74 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=C(F)C=1
|
|
| MCULE-7011532507 |
0.74 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-4040643278 |
0.74 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-2028522222 |
0.74 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3411300988 |
0.74 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4900852218 |
0.74 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-5300920464 |
0.74 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
|
|
| MCULE-3943888070 |
0.74 |
N12CC3C=C4OCOC4=CC=3[C@]3([H])CCC[C@@](CC1=O)([H])[C@]23[H]
|
|
| MCULE-3528726804 |
0.74 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-9021428536 |
0.74 |
[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-5660778036 |
0.74 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-7401691939 |
0.74 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-8986694685 |
0.74 |
N1(CC2=CC=C(C=C2)C)CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O
|
|
| MCULE-9954073702 |
0.74 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MolPort-039-336-424 |
0.74 |
O=C1C[C@H]2CCC[C@@H]3[C@H]2N1CC1=C3C=C2OCOC2=C1
|
|
| MolPort-000-717-312 |
0.74 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-757-991 |
0.74 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-745-031 |
0.74 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-020-180-692 |
0.74 |
Cl.COC1=CC=C(CCCN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
|
|
| MolPort-000-831-098 |
0.74 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-020-180-693 |
0.74 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(CCCC1=CC=CC=C1)C2
|
|
| MolPort-044-179-021 |
0.74 |
CC1=CC=C(CN2CCC3(O)CCCCC3[C@@H]2C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-002-522-125 |
0.74 |
CC1=CC=C(CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-002-518-995 |
0.73 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-000-734-700 |
0.73 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCCC1)C[NH+](C)C2
|
|
| MolPort-001-619-564 |
0.73 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(C)C2
|
|
| MolPort-008-155-948 |
0.73 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@H](CC3=CC4=C(OCO4)C=C3[C@@H]12)OC(C)=O
|
|
| MolPort-002-610-015 |
0.73 |
OC12CCCCC1C(N(CC#N)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-046-594-373 |
0.73 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
|
|
| MCULE-7517414708 |
0.73 |
[Cl-].[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-6524054120 |
0.73 |
CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
|
|
| MCULE-1389270124 |
0.73 |
C1(N(CC#N)CCC2(CCCCC12)O)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-1060140243 |
0.73 |
CC(=O)O[C@@H]1[C@@]2(C)[C@@](N(CC3C4OCOC=4C=CC=32)C)([H])C2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-8245880204 |
0.73 |
C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-2900334347 |
0.73 |
C12C3(CCCCC3)CNCC1=CC(=C(OC)C=2)OC
|
|
| MCULE-4118612757 |
0.73 |
[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
|
|
| MCULE-9318246296 |
0.73 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1818050283 |
0.73 |
[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MolPort-046-596-102 |
0.73 |
COC1=C(OC)C=C2C(CNCC22CCCCC2)=C1
|
|
| MolPort-016-614-887 |
0.73 |
CN1C[C@@H]2[C@H](C1)[C@](CO)(N[C@@H]2C1=CC2=C(OCO2)C=C1C)C1=CC=CC=C1
|
|
| MolPort-000-752-271 |
0.73 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-002-526-039 |
0.73 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-596-509 |
0.73 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-137 |
0.73 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-012-635 |
0.72 |
Cl.COC1=C(OC)C=C2C(CNCC22CCCCC2)=C1
|
|
| MolPort-000-834-222 |
0.72 |
[Cl-].COC1=C(OC)C=C2C(C[NH2+]CC22CCCCC2)=C1
|
|
| MolPort-002-610-138 |
0.72 |
OC12CCCCC1C(N(CC1=C(F)C=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-000-698-309 |
0.72 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-620-306 |
0.72 |
OC12CCCCC1C(N(CC1=CC=C(F)C=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-009-757-712 |
0.72 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCCCN1CC3=C(C=C(OC)C(OC)=C3)C3(CCCC3)C1)C2
|
|
| MolPort-000-744-921 |
0.72 |
[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
|
|
| MCULE-5574153733 |
0.72 |
C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-8697589965 |
0.72 |
[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-6546755946 |
0.72 |
C12C3(CCCC3)CNC(CO)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1720666642 |
0.72 |
C1(OC)=C(OC)C=C2CN3CCC(N)C[C@]3(CC2=C1)[H]
|
|
| MCULE-9251664006 |
0.72 |
COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-1012773985 |
0.72 |
[Cl-].C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-4093641788 |
0.72 |
[Cl-].C12C3(CCCCC3)C[NH2+]CC1=CC(=C(OC)C=2)OC
|
|
| MCULE-5228538208 |
0.72 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=CC=1F
|
|
| MCULE-4940393659 |
0.72 |
N1(CC2=CC=C(C=C2)F)CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O
|
|
| MolPort-039-033-049 |
0.72 |
COC1=CC2=C(CN3CCC(N)C[C@H]3C2)C=C1OC
|
|
| MolPort-002-515-696 |
0.72 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-180 |
0.72 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-725-791 |
0.72 |
[OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-991-505 |
0.72 |
COCCCN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-000-698-521 |
0.71 |
[I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-3208253083 |
0.71 |
Cl.C12C3(CCCC3)CNC(CO)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9998216031 |
0.71 |
[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-3329567447 |
0.71 |
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-8835467700 |
0.71 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
|
|
| MCULE-3993706568 |
0.71 |
C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
|
|
| MCULE-9876526208 |
0.71 |
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-2567233272 |
0.71 |
C12C3(CCCC3)CNCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-4667092841 |
0.71 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
|
|
| MCULE-2232276996 |
0.71 |
[Cl-].[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MolPort-002-512-839 |
0.71 |
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-005-945-897 |
0.71 |
CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-001-742-665 |
0.71 |
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-009-757-552 |
0.71 |
Cl.COC1=CC2=C(C=C1OC)C(CCCO)NC(C)(C)C2
|
|
| MolPort-000-739-266 |
0.71 |
[Cl-].COC1=C(OC)C=C2C(CCCO)[NH2+]C(C)(C)CC2=C1
|
|
| MolPort-000-731-722 |
0.70 |
O.[Cl-].[Cl-].CC[C@H]1C[NH+]2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-045-902-304 |
0.70 |
COC1=CC2=C(C=C1OC)C1(CCCCC1)CNC2CCC1=CC=CC=C1
|
|
| MolPort-039-140-629 |
0.70 |
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-003-928-002 |
0.70 |
O.Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-004-964-890 |
0.70 |
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-027-835-921 |
0.70 |
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-003-183-028 |
0.70 |
Cl.COC1=C(OC)C=C2C(CNCC22CCCC2)=C1
|
|
| MolPort-002-514-217 |
0.70 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-373 |
0.70 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-020-227-004 |
0.70 |
O[C@H]1[C@H](NCC2=CC=C3OCOC3=C2)C2=C(C=CC=C2)C11CCNCC1
|
|
| MCULE-9674501627 |
0.70 |
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-9330327410 |
0.70 |
[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-8850292099 |
0.70 |
C12C3(CCCCC3)CNC(CCC3=CC=CC=C3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-3232466040 |
0.70 |
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 |
0.70 |
N12CC(CC)C(CC3NCCC4=CC(OC)=C(OC)C=C34)CC1C1C=C(OC)C(OC)=CC=1CC2.Br
|
|
| MCULE-9841539432 |
0.70 |
C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1754478820 |
0.70 |
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-6176661820 |
0.70 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl
|
|
| MCULE-8222191037 |
0.70 |
C12C3(CCCC3)CNCC=1C=C(C(OC)=C2)OC.Cl
|
|
| MCULE-8730131893 |
0.70 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3168618945 |
0.70 |
C12(CCNCC1)[C@@H](O)[C@@H](C1=CC=CC=C21)NCC1C=CC2=C(OCO2)C=1
|
|
| MCULE-2040765671 |
0.70 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC
|
|
| MCULE-6302151901 |
0.70 |
C12=CC(OC)=C(C=C1CN(CCC(C)=O)CC12CCCC1)OC
|
|
| MCULE-2190839823 |
0.70 |
[Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9661243315 |
0.70 |
C12CCNC(C1=CC(=C(C=2)OC)OC)CCCO
|
|
| MCULE-4484324991 |
0.70 |
C12C=C(OC)C(=CC=1CN(C)CC12CCOCC1)OC
|
|
| MolPort-009-757-663 |
0.70 |
Cl.COC1=CC=C(CCC2NCC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-611-642 |
0.70 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCC(C)=O)C2
|
|
| MolPort-000-704-377 |
0.70 |
[Cl-].COC1=CC=C(CCC2[NH2+]CC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-508-536 |
0.70 |
COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C)C2
|
|
| MolPort-000-731-251 |
0.70 |
[I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-616-481 |
0.69 |
OC12CCCCC1C(N(CC(=O)C1=CC=C(Cl)C=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-003-180-079 |
0.69 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCC(C)=O)C2
|
|
| MolPort-000-726-453 |
0.69 |
[OH-].COC1=CC2=C3[C@H](CCC45CC[C@H](O)[C@](C4)(OC)OC1=C35)[N+](C)(C)CC2
|
|
| MolPort-009-758-376 |
0.69 |
[OH-].COC1=CC2=C3[C@H](CC[C@]45CC[C@@H](O)[C@](C4)(OC)OC1=C35)[N+](C)(C)CC2
|
|
| MolPort-016-584-259 |
0.69 |
Cl.Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCN)C2C
|
|
| MolPort-001-974-917 |
0.69 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
|
|
| MolPort-016-584-260 |
0.69 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C)C2
|
|
| MolPort-039-009-201 |
0.69 |
COC1=CC2=C(C=C1OC)C1CC(CCN1CC2)C1=CC=CC=C1
|
|
| MolPort-002-508-854 |
0.69 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-044-754-200 |
0.69 |
COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
|
|
| MolPort-001-925-312 |
0.69 |
CN1CCC2=CC3=C(OCO3)C3=C2C1CC31CCC(CC1)=NO
|
|
| MCULE-2923253468 |
0.69 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC(=O)C1=CC=C(C=C1)Cl
|
|
| MCULE-6840023402 |
0.69 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC.Cl.Cl
|
|
| MCULE-9083035230 |
0.69 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C)=O)CC12CCCC1)OC
|
|
| MCULE-6720292628 |
0.69 |
C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-2001165445 |
0.69 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9819277983 |
0.69 |
C12C=C(OC)C(=CC=1CN(C)CC12CCOCC1)OC.Cl
|
|
| MCULE-1332611476 |
0.69 |
C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-5262270574 |
0.69 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
|
|
| MCULE-1513524652 |
0.69 |
C12C3CCN(C)C1CC1(CCC(CC1)=NO)C=2C1=C(OCO1)C=3
|
|
| MCULE-1154490579 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1=CC=CC=C1
|
|
| MCULE-2512323393 |
0.69 |
N12CCC(=O)CC1CC1=CC(O)=C(OC)C=C1C2
|
|
| MCULE-1746486587 |
0.69 |
N12CCC(=O)CC1CC1=CC(OC)=C(O)C=C1C2
|
|
| MCULE-1863045048 |
0.69 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=CC=1Cl
|
|
| MCULE-9634668680 |
0.69 |
C12C=C(C=CC=1OCO2)CNC1CCCC2C=CC=CC1=2
|
|
| MCULE-2394429997 |
0.69 |
N1(CC2C=CC=CC=2)C2CCC(CC2C2=CC3OCOC=3C=C2C1=O)OCC1C=CC=CC=1
|
|
| MCULE-6081058328 |
0.69 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2.Cl
|
|
| MCULE-5750570919 |
0.69 |
[Cl-].C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-7382446246 |
0.69 |
C12C=C(OC)C(=CC=1CN(CC=C)CC12CCCC1)OC
|
|
| MCULE-1307540705 |
0.69 |
C12=C(CCNC1C1CCCCC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2276975819 |
0.69 |
C12C=C(OC)C(=CC=1CN(CC#C)CC12CCCC1)OC
|
|
| MCULE-5136907017 |
0.69 |
Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MolPort-002-613-019 |
0.69 |
OC12CCCCC1C(N(CC1=C(Cl)C=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-001-904-113 |
0.69 |
C(NC1CCCC2=C1C=CC=C2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-000-741-163 |
0.69 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH2+][C@H]2C
|
|
| MolPort-002-112-025 |
0.69 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
|
|
| MolPort-002-712-879 |
0.69 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCCCC1
|
|
| MolPort-000-727-084 |
0.69 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCCC3)CC2=C1
|
|
| MolPort-003-181-784 |
0.69 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-000-710-044 |
0.68 |
[Cl-].COC1=C(OC)C=C2[C@H](C)[NH+](CC3(CCCC3)C3=CC=CC=C3)CCC2=C1
|
|
| MolPort-009-758-069 |
0.68 |
Cl.COC1=C(OC)C=C2[C@H](C)N(CC3(CCCC3)C3=CC=CC=C3)CCC2=C1
|
|
| MolPort-002-514-277 |
0.68 |
COC1=C2C(CC(O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-178-922 |
0.68 |
NC(=O)CN1CCC2(O)CCCCC2[C@@H]1C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-520-104 |
0.68 |
NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1C1=CC2=C(OCO2)C=C1
|
|
| MolPort-003-181-381 |
0.68 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCCC(C)C1
|
|
| MolPort-016-585-665 |
0.68 |
COC1=C(OC)C=C2CN(CCC2=C1)C1C2CC3CC(C2)CC1C3
|
|
| MolPort-002-150-680 |
0.68 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCC(C)CC1
|
|
| MolPort-002-150-421 |
0.68 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCC(CC1)C(C)(C)C
|
|
| MolPort-002-148-646 |
0.68 |
CCC1CCC(CC1)N1CCC2=CC(OC)=C(OC)C=C2C1
|
|
| MolPort-046-467-472 |
0.68 |
CC1N(CC2(CC(O)=O)CC2)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MolPort-003-181-252 |
0.68 |
COC1=C(OC)C=C2CN(CC3CCCCC3)CCC2=C1
|
|
| MolPort-000-714-717 |
0.68 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH+](CC=C)C2
|
|
| MolPort-027-698-554 |
0.68 |
FC(F)(F)C1=CC=CC=C1CNCC1(CCOCC1)C1=CC=C2OCOC2=C1
|
|
| MolPort-003-180-070 |
0.68 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CC#C)C2
|
|
| MolPort-003-180-069 |
0.68 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CC=C)C2
|
|
| MolPort-008-362-465 |
0.68 |
COC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC2=C1OCO2
|
|
| MolPort-028-948-839 |
0.68 |
COC1=CC2=C(CC(NC2)C2CCCCC2)C=C1
|
|
| MolPort-046-426-964 |
0.68 |
COC1=C(OC)C=C2C3CC(OC(=O)C(N)C(C)C)C(CC(C)C)CN3CCC2=C1
|
|
| MolPort-044-723-889 |
0.68 |
COC1=CC2=C(C=C1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2
|
|
| MCULE-1702638590 |
0.68 |
[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1C=CC=CC=1
|
|
| MCULE-6277168833 |
0.68 |
C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-5339695961 |
0.68 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O)CC(N)=O
|
|
| MCULE-1584248642 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1C2CC3CC1CC(C3)C2
|
|
| MCULE-8955517066 |
0.68 |
N1(CCC2=CC(OC)=C(OC)C=C2C1)C1CCC(C)CC1
|
|
| MCULE-8969491177 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCCCC1
|
|
| MCULE-7759743136 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCC(CC1)CC
|
|
| MCULE-4299629309 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCC(CC1)C(C)(C)C
|
|
| MCULE-7556967985 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCCC(C)C1
|
|
| MCULE-1617514828 |
0.68 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CC1(CC1)CC(O)=O
|
|
| MCULE-3256170513 |
0.68 |
C12=C(CCNC1C1CCCCC1)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-3946903585 |
0.68 |
FC(C1=C(CNCC2(C3=CC4=C(OCO4)C=C3)CCOCC2)C=CC=C1)(F)F
|
|
| MCULE-1993925586 |
0.68 |
Cl.C12C=C(OC)C(=CC=1CN(CC=C)CC12CCCC1)OC
|
|
| MCULE-4282570649 |
0.68 |
[Cl-].[NH+]1(CC#C)CC2=CC(OC)=C(C=C2C2(CCCC2)C1)OC
|
|
| MCULE-1332002863 |
0.68 |
CN1C(CO)CC2C(=CC=C3C=2OCO3)C1
|
|
| MCULE-5665937776 |
0.68 |
C12OCOC1=CC(CN1CCCC(CO)(CC3=CC=CC=C3C)C1)=CC=2OC
|
|
| MCULE-3052664300 |
0.68 |
COC1=CC2=C(CC(C3CCCCC3)NC2)C=C1
|
|
| MCULE-8849001595 |
0.68 |
N[C@H](C(=O)O[C@@H]1C[C@@]2([H])N(CCC3C2=CC(OC)=C(OC)C=3)C[C@H]1CC(C)C)C(C)C
|
|
| MCULE-2364583043 |
0.68 |
N[C@H](C(=O)O[C@@H]1C[C@@]2([H])N(CCC3C2=CC(OC)=C(OC)C=3)C[C@H]1CC(C)C)C(C)C
|
|
| MCULE-6422020070 |
0.68 |
C12(C)CCCC(C)(CNCC3=CC=C4C(OCO4)=C3)C1([H])CCC1C=C(C(C)C)C=CC2=1
|
|
| MCULE-5820858456 |
0.68 |
N1(CCC2C(=CC=CC=2)C1)C(CCC1(CCC(=O)N1)CC1C=CC2=C(OCO2)C=1)=O
|
|
| MCULE-4559355426 |
0.68 |
C1(N(C)CCC2(CCCCC12)O)C1C=CC(=C(OC)C=1)OC
|
|
| MCULE-3380683573 |
0.68 |
C12CCCCC1(O)CCNC2C1C=CC(=C(OC)C=1)OC
|
|
| MCULE-3120762036 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CC2CC1CC2
|
|
| MCULE-3458399117 |
0.68 |
C12=C(CCNC1([H])CC(O)C1C=CC=CC=1)C=C(C(OC)=C2)OC
|
|
| MolPort-000-707-970 |
0.68 |
[I-].COC1=C2C(CC(O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-342-686 |
0.68 |
CC(C)C1=CC2=C(C=C1)C1(C)CCCC(C)(CNCC3=CC=C4OCOC4=C3)C1CC2
|
|
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0.68 |
Cl.COC1=C(OC)C=C2C(NCCC2=C1)C12CC3CC(CC(Cl)(C3)C1)C2
|
|
| MolPort-000-766-929 |
0.68 |
[Cl-].COC1=C(OC)C=C2C([NH2+]CCC2=C1)C12CC3CC(CC(Cl)(C3)C1)C2
|
|
| MolPort-005-120-920 |
0.68 |
O=C(CCC1(CC2=CC=C3OCOC3=C2)CCC(=O)N1)N1CCC2=CC=CC=C2C1
|
|
| MolPort-045-902-609 |
0.68 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CC2CCC1C2
|
|
| MolPort-002-054-185 |
0.68 |
COC1=C(OC)C=C2[C@@H](C[C@@H](O)C3=CC=CC=C3)NCCC2=C1
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|
| MolPort-046-596-803 |
0.67 |
COC1=C(O)C=CC(=C1)C1NCCC2(O)CCCCC12
|
|
| MolPort-023-188-297 |
0.67 |
Cl.COC1=CC=C2CC(NCC2=C1)C1CCCCC1
|
|
| 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-002-054-184 |
0.67 |
COC1=C(OC)C=C2[C@H](NCCC2=C1)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-038-992-678 |
0.67 |
COC1=CC(CNC2C(CO)CCC3=CC=CC=C23)=CC=C1O
|
|
| MolPort-044-178-899 |
0.67 |
OC12CCCCC1[C@@H](N(CC2)C(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-519-743 |
0.67 |
O[C@]12CCCC[C@H]1[C@@H](N(CC2)C(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
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|
| MolPort-005-154-456 |
0.67 |
COC1=CC=C2CN(CCC2=C1)[C@H]1[C@H](O)C2(CCNCC2)C2=C1C=CC=C2
|
|
| MolPort-041-698-010 |
0.67 |
CC1N(CCCC(O)=O)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MolPort-016-584-633 |
0.67 |
Cl.COC1=C(OC)C=C(C=C1)C1C2CCCCC2(O)CCN1C
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|
| MolPort-002-131-503 |
0.67 |
Cl.COC1=C(OC)C=C(C=C1)C1NCCC2(O)CCCCC12
|
|
| MolPort-009-104-182 |
0.67 |
COC1=CC=C(CNCC2(CCOCC2)C2=CC=C3OCOC3=C2)C=C1O
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|
| MolPort-002-510-674 |
0.67 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-028-845-889 |
0.67 |
COC(=O)CC1=CC=CC=C1CN1CCCC1C1=CC=C2OCOC2=C1
|
|
| MCULE-6660654168 |
0.67 |
C12CCCCC1(O)CCNC2C1C=CC(=C(OC)C=1)O
|
|
| MCULE-5100596481 |
0.67 |
COC1=CC2=C(CC(C3CCCCC3)NC2)C=C1.Cl
|
|
| MCULE-8000060574 |
0.67 |
C12OCOC=1C=CC(C1CCCCCN1)=C2
|
|
| MCULE-6490468964 |
0.67 |
COC1C=C(CNC2C3C=CC=CC=3CCC2CO)C=CC=1O
|
|
| 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-4188451568 |
0.67 |
C12=C(CCNC1([H])C(CO)C1=CC=CC=C1)C=C(C(OC)=C2)OC
|
|
| MCULE-9190324209 |
0.67 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O)C(C1=CC=CC=C1)=O
|
|
| MCULE-7135946132 |
0.67 |
N1(CCC2C(=CC=C(OC)C=2)C1)[C@@H]1C2=CC=CC=C2C2(CCNCC2)[C@H]1O
|
|
| MCULE-7283815365 |
0.67 |
COC1C=C2C(C(N(CC2)CC2CCC2)CC(=O)O)=CC=1OC
|
|
| MCULE-3593377452 |
0.67 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCC(O)=O
|
|
| MCULE-8384099361 |
0.67 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCCC(O)=O
|
|
| MCULE-3491567709 |
0.67 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1CCC(=O)O)OCCO3
|
|
| MCULE-4873311240 |
0.67 |
C12CN(CCC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-4056259409 |
0.67 |
Cl.C1(N(C)CCC2(CCCCC12)O)C1C=CC(=C(OC)C=1)OC
|
|
| MCULE-4168305166 |
0.67 |
Cl.C12CCCCC1(O)CCNC2C1C=CC(=C(OC)C=1)OC
|
|
| MCULE-6781350879 |
0.67 |
COC1=C(O)C=C(CNCC2(C3=CC4=C(OCO4)C=C3)CCOCC2)C=C1
|
|
| MCULE-4457029529 |
0.67 |
C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
|
|
| MCULE-1401104581 |
0.67 |
C12C3(CCCC3)CNCC=1C=C1C(OCCO1)=C2
|
|
| MCULE-6289807412 |
0.67 |
COC(CC1=C(CN2C(C3=CC4=C(OCO4)C=C3)CCC2)C=CC=C1)=O
|
|
| MCULE-7051466037 |
0.67 |
N1([C@H]2CC[C@@H]1C[C@H](O)C2)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-9634692240 |
0.67 |
Cl.C12CCCCC1(O)CCNC2C1C=CC(=C(OC)C=1)O
|
|
| MCULE-5367771656 |
0.67 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)OC)O)CC1C=CC=C(F)C=1
|
|
| MCULE-8781608015 |
0.67 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5543469571 |
0.67 |
[NH2+]1C2(CCCC2)CC2=C(C=C(C(OC)=C2)OC)C1CC=C.[Cl-]
|
|
| MCULE-6205003288 |
0.67 |
C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-6535474606 |
0.67 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(OCOC2=CC=C(C=C2)CC2N(C)CCC3=CC(OC)=C(OC)C=C23)=CC=1)OC
|
|
| MCULE-1763731184 |
0.67 |
COC1=CC2C3(CC3)CN(CC(C(O)C)O)CC=2C=C1
|
|
| MCULE-5185563403 |
0.67 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)O)O)CC1C=CC=C(F)C=1
|
|
| MCULE-8304769553 |
0.67 |
N1(C(C)=O)CC2=CC(OC)=C(C=C2C2(CCCC2)C1)OC
|
|
| MCULE-6142159201 |
0.67 |
C12CCNC(C1=CC(=C(C=2)OC)OC)CCO
|
|
| MCULE-5112529775 |
0.67 |
C12C3(CCCC3)CNCC=1C=C1C(OCCO1)=C2.Cl
|
|
| MCULE-1714040459 |
0.67 |
C1(=CC=C(C(C)=C1C)OC)C1NCCC2(CCCCC12)O
|
|
| MCULE-7048906339 |
0.67 |
[C@@H]12CN(C[C@@H]1[C@@](N[C@@H]2C1=CC(OC)=C2C(OCO2)=C1)(CO)CCO)CC
|
|
| MCULE-4612371058 |
0.67 |
C12=C(CCNC1([H])C(C)CO)C=C(C(OC)=C2)OC
|
|
| MCULE-6150144452 |
0.67 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)C(=O)C1C=CC=C(F)C=1
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|
| MCULE-8003142646 |
0.67 |
N1(CCC2(C([H])(CCCC2)C1C1=CC=C(C(OC)=C1)O)O)CC1C=CC=C(F)C=1
|
|
| MCULE-3680491471 |
0.67 |
Cl.C12CN(CCC)CCC1=CC1OCOC=1C=2
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|
| MolPort-046-691-176 |
0.67 |
COC1=CC2=C(C=C1OC)C1=C(C=C(OC)C(OC)=C1)C1=C2C[C@@H]2CCCN2C1
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|
| MolPort-045-925-306 |
0.67 |
CC1=CC2=C(OCO2)C=C1CN1[C@H]2CC[C@@H]1C[C@H](O)C2
|
|
| MolPort-016-583-714 |
0.67 |
Cl.COC1=C(O)C=CC(=C1)C1NCCC2(O)CCCCC12
|
|
| MolPort-000-764-061 |
0.67 |
[Cl-].COC1=C(O)C=CC(=C1)C1[NH2+]CCC2(O)CCCCC12
|
|
| MolPort-044-178-937 |
0.67 |
Cl.COC1=C(O)C=CC(=C1)[C@@H]1NCCC2(O)CCCCC12
|
|
| MolPort-002-514-624 |
0.67 |
COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-769 |
0.67 |
COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-609-170 |
0.67 |
COC1=C(OC)C=C(C=C1)C1C2CCCCC2(O)CCN1CC1=CC(F)=CC=C1
|
|
| MolPort-003-180-071 |
0.67 |
Cl.C1CCC2(C1)CNCC1=CC3=C(OCCO3)C=C21
|
|
| MolPort-002-511-107 |
0.67 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CN(C2)C(C)=O
|
|
| MolPort-002-054-183 |
0.67 |
COC1=C(OC)C=C2[C@H](NCCC2=C1)[C@@H](C)CO
|
|
| MolPort-003-181-932 |
0.67 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
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|
| MolPort-002-643-772 |
0.67 |
COC1=C(O)C=CC(=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC1=CC(F)=CC=C1
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|
| MolPort-000-712-320 |
0.67 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCC3)CC2=C1
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|
| MolPort-016-616-669 |
0.67 |
CCN1C[C@@H]2[C@H](C1)[C@@](CO)(CCO)N[C@@H]2C1=CC2=C(OCO2)C(OC)=C1
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|
| MolPort-016-586-186 |
0.67 |
COC1=C(C)C(C)=C(C=C1)C1NCCC2(O)CCCCC12
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|
| MolPort-001-728-092 |
0.67 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)N(C)CC2
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|
| MolPort-002-609-207 |
0.67 |
OC12CCCCC1C(N(CC2)C(=O)C1=CC(F)=CC=C1)C1=CC2=C(OCO2)C=C1
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|
| MolPort-002-513-869 |
0.66 |
COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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|
| MolPort-002-514-170 |
0.66 |
COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-720-730 |
0.66 |
[I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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|
| MolPort-002-531-374 |
0.66 |
COC1=C(OC)C=C2C(CCO)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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|
| MolPort-027-823-284 |
0.66 |
COC1=CC(C)=C(CN2C[C@H]([C@@H](C2)C2=CC3=C(OCO3)C=C2)C(O)=O)C=C1
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|
| MolPort-002-515-733 |
0.66 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-879 |
0.66 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-235 |
0.66 |
COC1=CC2=C(C=C1OC)C1N(CCC1(O)C1=CC=C(F)C=C1)CC2
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|
| MolPort-023-274-528 |
0.66 |
COC1=CC=C(C=C1)[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NCC1=CC(OC)=CC=C1
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|
| MolPort-044-178-939 |
0.66 |
COC1=C(OC)C=C(C=C1)[C@H]1C2CCCCC2(O)CCN1CC1=CC=C(C)C=C1
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|
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0.66 |
COC1=C(OC)C=C(C=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC1=CC=C(C)C=C1
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|
| MolPort-002-054-187 |
0.66 |
COC1=C(OC)C=C2C(NCCC2=C1)C(CO)CO
|
|
| MolPort-019-800-156 |
0.66 |
O[C@@H]1CN(CC2=CC=C3OCOC3=C2)CC[C@H]1C1=CC2=C(OCO2)C=C1
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|
| MolPort-019-807-410 |
0.66 |
CC1=CC=CC(C)=C1CN1CC[C@H]([C@H](O)C1)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-000-720-053 |
0.66 |
[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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|
| MolPort-002-514-872 |
0.66 |
COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1105978207 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-1872782088 |
0.66 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5017570630 |
0.66 |
[C@H]1(CN(C[C@H]1C1C=CC2=C(OCO2)C=1)CC1=CC=C(C=C1C)OC)C(O)=O
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|
| MCULE-5647998057 |
0.66 |
CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
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|
| MCULE-5420536073 |
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C1(OC)=C(O)C=C2C(CCN(C)C2CC(C)C)=C1
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|
| MCULE-8850884333 |
0.66 |
COC1C=C2C(CN(CC2)CC2CC(C)NCC2)=CC=1OC
|
|
| MCULE-2709682959 |
0.66 |
COC1C=C2C(CN(CC2)CCC2CNCCC2)=CC=1OC
|
|
| MCULE-7933982800 |
0.66 |
N1(C(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-4658305685 |
0.66 |
N1(C(C)(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-3663996316 |
0.66 |
C12CN(CC)CCC1=CC1OCOC=1C=2
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|
| MCULE-9088841301 |
0.66 |
C12C=C(OC)C(=CC=1CCN1CCC(O)(C3C=CC(=CC=3)F)C21)OC
|
|
| MCULE-3230121031 |
0.66 |
C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-2921076734 |
0.66 |
C12=C(O)C(OC)=CC=C1CC1N(CCC(=O)C1)C2
|
|
| MCULE-4223362677 |
0.66 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=C(C)C=CC=C1C
|
|
| MCULE-8469419117 |
0.66 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-3457930894 |
0.66 |
COC1=CC=C([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2C=CC=C(OC)C=2)C=C1
|
|
| MCULE-1004640613 |
0.66 |
N1(CC2=CC=C(C=C2)C)CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)OC)O
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|
| MCULE-6637929468 |
0.66 |
C12C(CCNC1C(CO)CO)=CC(=C(OC)C=2)OC
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|
| MCULE-7524574681 |
0.66 |
[I-].C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
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|
| MCULE-2156282825 |
0.66 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
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|
| MCULE-4776734284 |
0.66 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC(NCCC)=O
|
|
| MCULE-4887186987 |
0.66 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCCC#N
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|
| MCULE-6743435165 |
0.66 |
C12=CC(OC)=C(OC)C=C1CCN1[C@]2([H])CC(=O)[C@H](CC(C)C)C1
|
|
| MCULE-6472043806 |
0.66 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@@H]1CC(=O)[C@@H](CC(C)C)C2
|
|
| MCULE-8705177202 |
0.66 |
[I-].CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
|
|
| MCULE-5458437044 |
0.66 |
C12=CC(OC)=C(OC)C=C1CCN1[C@@]2([H])CC(=O)[C@@H](CC(C)C)C1
|
|
| MCULE-5822627411 |
0.66 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C(CC(C)C)C2
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|
| MCULE-2700319425 |
0.66 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@H]1CC(=O)[C@H](CC(C)C)C2
|
|
| MCULE-1700843511 |
0.66 |
N12CCC3=C(C=C4C(OCO4)=C3)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3540014010 |
0.66 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3875114127 |
0.66 |
N12CCC3C(=CC4=C(OCO4)C=3)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6909489981 |
0.66 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-5421554333 |
0.66 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1C=CC=CC=1C#N
|
|
| MCULE-3440832914 |
0.66 |
COC1=C(OC)C=C2C(CCN(C2)C[C@H]2[C@H](C(O)=O)C2)=C1
|
|
| MCULE-8464478739 |
0.66 |
C1(OC)C=CC(C(C#N)(C(C)C)CCCN2CC3C=C(OC)C(OC)=CC=3CC2)=CC=1OC
|
|
| MCULE-1083665298 |
0.66 |
[C@H]1(CC2=CC=C(OC)C(OC)=C2)C2=C(C=C3OCOC3=C2)CCN1
|
|
| MCULE-1681980695 |
0.66 |
COC1C(OC)=CC2=C(CCNC2C2CC2)C=1
|
|
| MCULE-3178138199 |
0.66 |
N1(CC2=CC=C(C=C2)C)CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)O)O
|
|
| MCULE-1096354115 |
0.66 |
Cl.C12CN(CC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-5921196406 |
0.66 |
Cl.N1(C(C)(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-3042608614 |
0.66 |
Cl.N1(C(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-4561706058 |
0.66 |
C12CCCCC1(O)CCNC2C1=CC=C(C(O)=C1)OC
|
|
| MCULE-2087502083 |
0.66 |
C12OCOC=1C=C1[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])[C@@](O)(CN5CCC[C@]354)C1=C2
|
|
| MCULE-9099290556 |
0.66 |
C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-9033959851 |
0.66 |
Cl.C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-6463418142 |
0.66 |
C12=C(O)C(OC)=CC=C1CC1N(CCC(=O)C1)C2.Cl
|
|
| MCULE-2840940911 |
0.66 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(OCOC2=CC=C(C=C2)CC2N(C)CCC3=CC(OC)=C(OC)C=C23)=CC=1)OC.C(O)(=O)C(O)=O
|
|
| MCULE-3350936640 |
0.66 |
COC1C=CC(C(NC2CCC(C(=O)O)CC2)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-4172130366 |
0.66 |
[NH+]1(C)CCC2C=C(OC)C(OC)=CC=2C1CC1C=CC(=CC=1)OCOC1=CC=C(C=C1)CC1C2=CC(OC)=C(C=C2CC[NH+]1C)OC.C(=O)([O-])C(O)=O.C(=O)([O-])C(O)=O
|
|
| MCULE-5451518213 |
0.66 |
[N+]1(C)(C)[C@H](C)[C@H]([C@H](O)[C@H]1C1C=CC(=C(OC)C=1)OC)O
|
|
| MCULE-4321715972 |
0.66 |
C12=CC(C[NH2+]CCCC(CC3C=CC=CC=3)C3CCOC(C)(C)C3)=CC=C1OCO2
|
|
| MCULE-3519598586 |
0.66 |
[C@@H]1([NH2+]CC[C@]2(CCCC[C@]12[H])O)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-2186887809 |
0.66 |
[N+]1(C)(C)C(C)[C@H]([C@H](O)[C@@H]1C1C=CC(=C(OC)C=1)OC)O
|
|
| MCULE-5447634613 |
0.66 |
C12=CC(=CC=C1OCO2)CNC1CCC2=C(C=CC=C2)C1
|
|
| MCULE-8545495357 |
0.66 |
C1(N(CC#N)CCC2(CCCCC12)O)C1=CC=C(C(OC)=C1)OC
|
|
| MCULE-7354702159 |
0.66 |
N1(CCCC(CCOC)(CO)C1)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-9979421344 |
0.66 |
COC1C=C2C(CN(CC2)CCC2CNCC2)=CC=1OC
|
|
| MCULE-7188010443 |
0.66 |
C12OCOC=1C=CC(C(CCNCC1=CC=C3C(OCO3)=C1)CCC(C)C)=C2
|
|
| MCULE-5269018252 |
0.66 |
C12OCOC=1C=CC(C(CCNCC1=CC=C(C(OC)=C1)OC)CCC(C)C)=C2
|
|
| MCULE-9608406063 |
0.66 |
N1(C(C)CCC2=CC=C(C=C2)OC)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-8027458524 |
0.66 |
N1(C(C)CCC2C=CC=CC=2)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-1596792802 |
0.66 |
N1(C(C)CCC2=CC=C(C=C2)O)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-3935956997 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3623977626 |
0.66 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3541700834 |
0.66 |
N1(C)CCC2C(=CC3=C(OCO3)C=2)C1
|
|
| MCULE-1789244837 |
0.66 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC(=O)NC1CCCCC1
|
|
| MCULE-4065102342 |
0.66 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC(=O)NCC1C=CC=CC=1
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|
| MCULE-6633112909 |
0.66 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC(NCCCC)=O
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|
| MCULE-3566981962 |
0.66 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC(NCCCCC)=O
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|
| MolPort-008-266-772 |
0.66 |
COC1=C(OC)C=C2[C@@H]3CC(=O)[C@@H](CC(C)C)CN3CCC2=C1
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0.66 |
COC1=CC2=C(C=C1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2
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|
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0.66 |
C.[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2
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| MolPort-046-417-356 |
0.66 |
C.COC1=CC2=C(C=C1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
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| MolPort-046-418-564 |
0.66 |
[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2
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| MolPort-044-178-910 |
0.66 |
CCCNC(=O)CN1CCC2(O)CCCCC2[C@@H]1C1=CC2=C(OCO2)C=C1
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| MolPort-010-259-654 |
0.66 |
CC1N(CCCCC#N)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
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| MolPort-002-712-672 |
0.66 |
COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1
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| MolPort-046-594-671 |
0.66 |
CCCNC(=O)CN1CCC2(O)CCCCC2C1C1=CC2=C(OCO2)C=C1
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| MolPort-001-728-139 |
0.66 |
COC1=C(OC)C2=C(C[C@H]3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
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0.66 |
COC1=C(OC)C2=C(CC3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
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0.66 |
COC1=CC=C2C[C@@H]3N(CCC4=C3C=C3OCOC3=C4)CC2=C1OC
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0.66 |
O[C@@H]1CN(CC2=C(C=CC=C2)C#N)CC[C@H]1C1=CC2=C(OCO2)C=C1
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0.66 |
COC1=CC2=C(CN(C[C@@H]3C[C@H]3C(O)=O)CC2)C=C1OC
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0.66 |
[I-].CC[N+]1(C)C(C)[C@@H](O)[C@H](O)[C@@H]1C1=CC(OC)=C(OC)C=C1
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0.66 |
[2H]C1N2CCC3=C(C=C4OCOC4=C3)C2([2H])C([2H])C2=CC=C(OC)C(OC)=C12
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0.66 |
COC1=C(O)C=CC(=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC1=CC=C(C)C=C1
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| MolPort-003-733-563 |
0.66 |
COC1=C(OC)C=C2C(NCCC2=C1)C1CC1
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|
| MolPort-044-178-889 |
0.66 |
COC1=C(O)C=CC(=C1)[C@H]1C2CCCCC2(O)CCN1CC1=CC=C(C)C=C1
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|
| MolPort-000-719-611 |
0.66 |
[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-035-705-699 |
0.66 |
O[C@@H]1[C@H](O)[C@@H]2[C@@]3(O)CN4CCC[C@@]24[C@@H]1C1=C3C=C2OCOC2=C1
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| MolPort-016-584-275 |
0.66 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CNC2CC(C1=CC=CC=C1)C1=CC=CC=C1
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0.66 |
OC(=O)C([O-])=O.OC(=O)C([O-])=O.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4[NH+](C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)[NH+](C)CC2
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| MolPort-009-757-490 |
0.66 |
OC(=O)C(O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)N(C)CC2
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0.66 |
COC1=C(OC)C=C(C=C1)C1[C@@H](O)[C@H](O)C(C)[N+]1(C)C
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|
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0.66 |
COC1=C(OC)C=C(C=C1)C1[C@@H](O)[C@@H](O)C(C)N1C
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|
| MolPort-002-514-662 |
0.66 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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|
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0.66 |
COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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|
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0.66 |
COC1=C(OC)C=C(C=C1)C1C2CCCCC2(O)CCN1CC#N
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|
| MolPort-011-236-801 |
0.66 |
C(NC1CCC2=CC=CC=C2C1)C1=CC2=C(OCO2)C=C1
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|
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0.66 |
COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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0.66 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-002-150-422 |
0.66 |
COC1=CC=C(CCC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
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| MolPort-044-722-162 |
0.66 |
COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=C(O)C=C1
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|
| MolPort-044-722-227 |
0.66 |
COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=CC=C1
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| MolPort-027-883-501 |
0.66 |
COCCC1(CO)CCCN(CC2=CC3=C(OCO3)C=C2C)C1
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0.66 |
COC1=CC(=CC(OC)=C1OC)[C@@H]1NCC[C@@]2(O)CCCC[C@@H]12
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CC(C)CCC(CCNCC1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1
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|
| MolPort-002-528-699 |
0.66 |
COC1=CC=C(CNCCC(CCC(C)C)C2=CC=C3OCOC3=C2)C=C1OC
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|
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0.66 |
CCCCCCNC(=O)CN1CCC2(O)CCCCC2[C@@H]1C1=CC2=C(OCO2)C=C1
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0.66 |
OC12CCCCC1[C@@H](N(CC(=O)NCC1=CC=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
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0.66 |
OC12CCCCC1C(N(CC(=O)NC1CCCCC1)CC2)C1=CC2=C(OCO2)C=C1
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|
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0.66 |
CCCCNC(=O)CN1CCC2(O)CCCCC2C1C1=CC2=C(OCO2)C=C1
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CCCCCNC(=O)CN1CCC2(O)CCCCC2C1C1=CC2=C(OCO2)C=C1
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CCCCNC(=O)CN1CCC2(O)CCCCC2[C@@H]1C1=CC2=C(OCO2)C=C1
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0.66 |
CCCCCNC(=O)CN1CCC2(O)CCCCC2[C@@H]1C1=CC2=C(OCO2)C=C1
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0.66 |
OC12CCCCC1C(N(CC(=O)NCC1=CC=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
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0.65 |
CN(C1CCCC2=CC=CC=C12)C(=O)CC1=CC=C2OCOC2=C1
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0.65 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC1=C4OCO1
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0.65 |
C1OC2=CC3=C(C=C2O1)[C@H]1CC2=CC=C4OCOC4=C2CN1CC3
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0.65 |
Cl.COC1=C(OC)C2=C(CC3N(CCC4=C3C=C3OCOC3=C4)C2)C=C1
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0.65 |
O=C(CC1=CC=C2OCOC2=C1)NC1CCCC2=CC=CC=C12
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0.65 |
C1OC2=CC=C3CC4N(CCC5=CC6=C(OCO6)C=C45)CC3=C2O1
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OC(=O)CCCN1CCCC1C1=CC=C2OCOC2=C1
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0.65 |
OC(=O)CCN1CCCC1C1=CC=C2OCOC2=C1
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0.65 |
CC(C)C1CC(CCNCC2=CC3=C(OCO3)C=C2)(CC2=CC=CC=C2)CCO1
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0.65 |
CCOC1=C(O)C=CC(=C1)C1NCCC2(O)CCCCC12
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0.65 |
CC1N(CC2(CCCC2)C2=CC3=C(OCCO3)C=C12)C(=O)CC1(O)CCCC1
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0.65 |
COC1=C(OC)C=C2CN(CC3=CC=C4OCOC4=C3)CCC2=C1
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0.65 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCC(C)C1
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Cl.COC1=C(O)C=C(C=C1)C1NCCC2(O)CCCCC12
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0.65 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(CCC(C1=CC=CC=C1)C1=C(O)C=CC=C1)C2
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0.65 |
COC1=CC(=CC2=C1OCO2)[C@H]1N[C@@](CO)([C@H]2CN(C)C[C@@H]12)C1=CC=CC=C1
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0.65 |
Cl.CC1NCC2(CCCC2)C2=C1C=C1OCCOC1=C2
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0.65 |
I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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| MolPort-039-317-410 |
0.65 |
COC1=CC=C2C(CCCC2=C1)N(C)CCC1OCCO1
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|
| MolPort-019-936-918 |
0.65 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MolPort-000-827-286 |
0.65 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-701-443 |
0.65 |
CC(C)C1CC(CCNCC2=CC=C3OCOC3=C2)(CCO1)C1=CC=CC=C1
|
|
| MolPort-005-135-490 |
0.65 |
COC1=CC(CN2CCC(CO)(CCCC3=CC=CC=C3)CC2)=CC2=C1OCO2
|
|
| MolPort-000-729-408 |
0.65 |
[I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-606 |
0.65 |
COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-743-610 |
0.65 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-801-221 |
0.65 |
[Cl-].CC(C)CCC(CC[NH2+]CC1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1
|
|
| MolPort-009-758-404 |
0.65 |
[I-].COC1=C(OC)C=C(C=C1)[C@@H]1[C@@H](O)[C@H](O)[C@@H](C)[N+]1(C)C
|
|
| MolPort-044-178-877 |
0.65 |
Cl.COC1=CC(=CC(OC)=C1OC)[C@@H]1NCCC2(O)CCCCC12
|
|
| MolPort-009-758-460 |
0.65 |
Cl.CC(C)CCC(CCNCC1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1
|
|
| MolPort-000-733-468 |
0.65 |
[Cl-].COC1=CC(=CC(OC)=C1OC)[C@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12
|
|
| MolPort-000-735-985 |
0.65 |
[I-].COC1=C(OC)C=C(C=C1)[C@H]1[C@@H](O)[C@H](O)C(C)[N+]1(C)C
|
|
| MolPort-000-806-091 |
0.65 |
[Cl-].COC1=CC=C(C[NH2+]CCC(CCC(C)C)C2=CC=C3OCOC3=C2)C=C1OC
|
|
| MolPort-009-758-453 |
0.65 |
Cl.COC1=CC=C(CNCCC(CCC(C)C)C2=CC=C3OCOC3=C2)C=C1OC
|
|
| MolPort-001-994-784 |
0.65 |
CC1(C)CC(CCNCC2=CC3=C(OCO3)C=C2)(CC2=CC=CC=C2)CCO1
|
|
| MolPort-010-473-524 |
0.65 |
CC1N(CCC#N)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MolPort-001-504-923 |
0.65 |
C(NC1CCC(CC1)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
|
|
| MCULE-2074546501 |
0.65 |
COC1=C(OC)C=C2C(CCN(C(CCC3=CC4=C(OCO4)C=C3)=O)C2)=C1
|
|
| MCULE-6284047843 |
0.65 |
Cl.C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C(C)C)C1)C1C=CC=CC=1
|
|
| MCULE-1659643541 |
0.65 |
N1(CC[C@]2(OC)CC[C@@H](OC)C[C@H]12)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-3633162393 |
0.65 |
N1(CC[C@]2(OC)CC[C@@H](O)C[C@H]12)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-2417751070 |
0.65 |
COC1C=C2C(C(N(C(C3C4(CCCC4)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2785296550 |
0.65 |
COC1C=C2C(C(N(C(CC3C4CC(CC4)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9035037609 |
0.65 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CC(COC1=CC=C(C#N)C=C1)O
|
|
| MCULE-2358801302 |
0.65 |
N1(CC[C@]2(OC)CC[C@H](OC)C[C@H]12)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-7474356943 |
0.65 |
N1(CC[C@]2(OC)CC[C@H](O)C[C@H]12)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-6470841804 |
0.65 |
Cl.C12=CC(CNCCC3(CCOC(C)(C)C3)CC3=CC=CC=C3)=CC=C1OCO2
|
|
| MCULE-3119852963 |
0.65 |
COC1=C2C(C(NC3C(CCO)CCC3)CCC2)=CC=C1
|
|
| MCULE-8203888373 |
0.65 |
[C@H]1(N(CC=CC2C=CC=CC=2)CC[C@]2(CCCC[C@@]12[H])O)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-8073345152 |
0.65 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC.Cl
|
|
| MCULE-4340951604 |
0.65 |
Cl.C12CC(CO)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-7236024201 |
0.65 |
C12=CC(CNCCC(C3CCCCC3)C3=CC=C(C=C3)OC(C)C)=CC=C1OCO2
|
|
| MCULE-1372189946 |
0.65 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-1886055763 |
0.65 |
C1(OC)C=C2CCN3C(C4C=C(OC)C(OC)=CC=4CC3)CC3C(CC)CN(O)C(C3)C2=CC=1OC
|
|
| MCULE-3210647079 |
0.65 |
C(=O)(NCC1(CCCCC1)C1C=CC(=C(OC)C=1)OC)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-4001009895 |
0.65 |
N1(CC2C=CC3=C(OCO3)C=2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1=CC=CC(O)=C1
|
|
| MCULE-5445689526 |
0.65 |
[C@]1(O)(C2=CC=CC=C2)CCN([C@]2([H])CCCC[C@]12[H])CC1=CC(OC)=C2C(OCO2)=C1
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|
| MCULE-4155762979 |
0.65 |
FC(OC1=CC2=C(C(NCC3=C4C(OCO4)=CC=C3)CCC2)C=C1)F
|
|
| MCULE-9656575252 |
0.65 |
N1(CC2=CC=CC(OC)=C2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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|
| MCULE-2933406570 |
0.65 |
N1(CCCC(CCCC2=CC=CC=C2)(CO)C1)C(=O)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8391840270 |
0.65 |
COC1C=C2C(CN(C(C3CCC(C(=O)O)CC3)=O)CC2)=CC=1OC
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|
| MCULE-1013107113 |
0.65 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)OC)O)C(=O)CC1=CC=CC=C1
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|
| MCULE-5135429102 |
0.65 |
[C@@]12(C)[C@@]([H])([C@H](C)CCC(=O)N3CCC4=C(C=C(C(OC)=C4)OC)C3)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C[C@@H]2O)[H]
|
|
| MCULE-8213126254 |
0.65 |
N1(CC2=CC=CC=C2C)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3516610075 |
0.65 |
COC1=C(OC)C=C2C(CCN(C(CC3C4=C(C=CC=C4)CCC3)=O)C2CC(O)=O)=C1
|
|
| MCULE-6573523048 |
0.65 |
O=C(NC1C2=C(C=CC=C2)CCC1)CC1=CC2=C(OCO2)C=C1
|
|
| MCULE-6519261777 |
0.65 |
CN(C(CC1=CC2=C(OCO2)C=C1)=O)C1C2=C(C=CC=C2)CCC1
|
|
| MCULE-6929884363 |
0.65 |
C1C2OCOC=2C2=C(CC3C4=C(C=C5C(OCO5)=C4)CCN3C2)C=1
|
|
| MCULE-5248252030 |
0.65 |
C12OCOC=1C=C1[C@@]3([H])CC4C=CC5OCOC=5C=4CN3CCC1=C2
|
|
| MCULE-2672487896 |
0.65 |
C1(O)C=C2CCN3CC4C5OCOC=5C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-7125426309 |
0.65 |
C1(OC)C=CC(C(C#N)(C(C)C)CCCN2CC3C=C(OC)C(OC)=CC=3CC2)=CC=1OC.Cl
|
|
| MCULE-6280070500 |
0.65 |
C12=CC(CNCCC3(CCOC(C(C)C)C3)CC3=CC=CC=C3)=CC=C1OCO2
|
|
| MCULE-2513282863 |
0.65 |
OC(CCN1C(C2C=CC3OCOC=3C=2)CCC1)=O
|
|
| MCULE-6646426240 |
0.65 |
OC(CCCN1C(C2=CC3=C(OCO3)C=C2)CCC1)=O
|
|
| MCULE-3407553487 |
0.65 |
OC(CCCCN1C(C2=CC3=C(OCO3)C=C2)CCC1)=O
|
|
| MCULE-4867072525 |
0.65 |
COC1C=C2C(CN(CC2)CCCCC(=O)O)=CC=1OC
|
|
| MCULE-8442210659 |
0.65 |
COC1=C(OC)C=C2C(CCN(C2)CC(C(O)C)O)=C1
|
|
| MCULE-9583329807 |
0.65 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(CC1(CCCC1)O)=O
|
|
| MCULE-2501591047 |
0.65 |
C1(C2=CC=C(C(OCC)=C2)O)[NH2+]CCC2(CCCCC12)O
|
|
| MCULE-8752793561 |
0.65 |
C1(=CC(OC)=C(C(OC)=C1)O)C1NCCC2(CCCCC12)O
|
|
| MCULE-6709927520 |
0.65 |
COC1C=C2C(C(N(C(C3C4C3CCC4)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2543933220 |
0.65 |
COC1C=C2C(C(N(C(C3C4C3CCCC4)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6990371779 |
0.65 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCC(C)C1
|
|
| MCULE-6020333267 |
0.65 |
Cl.C12CCCCC1(O)CCNC2C1=CC=C(C(O)=C1)OC
|
|
| MCULE-8555442596 |
0.65 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-2978404967 |
0.65 |
[C@H]12CN(C[C@H]1[C@H](N[C@]2(CO)C1C=CC=CC=1)C1=CC(OC)=C2C(OCO2)=C1)C
|
|
| MCULE-7826072892 |
0.65 |
C12CN(C)CCC3C=C4C(OCO4)=CC=3C(O)CC=1C=CC(OC)=C2OC
|
|
| MCULE-7844067059 |
0.65 |
C1CC2C(CCC[N+]2(CC1)C)COC(C)C[N+]1(C)CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-3357876288 |
0.65 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-5876741895 |
0.65 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-9750966349 |
0.65 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C(C)C)C1)C1=CC=CC=C1
|
|
| MCULE-4245872699 |
0.65 |
C12OCOC1=CC(CN1CCC(CC1)(CCCC1C=CC=CC=1)CO)=CC=2OC
|
|
| MCULE-5064943301 |
0.65 |
COC1=CC2=C(C(N(CCC3OCCO3)C)CCC2)C=C1
|
|
| MCULE-7547592688 |
0.65 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MCULE-9054175336 |
0.65 |
[I-].[N+]1(C)(C)C(C)[C@H]([C@H](O)[C@@H]1C1C=CC(=C(OC)C=1)OC)O
|
|
| MCULE-3634100342 |
0.65 |
C12=CC(CNCCC3(CCOC(C)(C)C3)CC3=CC=CC=C3)=CC=C1OCO2
|
|
| MCULE-2478339884 |
0.65 |
[I-].[N+]1(C)(C)[C@H](C)[C@H]([C@H](O)[C@H]1C1C=CC(=C(OC)C=1)OC)O
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|
| MCULE-3593513809 |
0.65 |
[Cl-].[C@@H]1([NH2+]CC[C@]2(CCCC[C@]12[H])O)C1=CC(OC)=C(C(OC)=C1)OC
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|
| MCULE-2748126535 |
0.65 |
C12=CC(CNCCC(CC3C=CC=CC=3)C3CCOC(C)(C)C3)=CC=C1OCO2
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|
| MCULE-2346509217 |
0.65 |
COC1C=C2C(C(N(C(CC3CCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9388363387 |
0.65 |
CC[C@@H]1CC[C@@H](C(N2C(CC(=O)O)C3C=C(C(=CC=3CC2)OC)OC)=O)CC1
|
|
| MCULE-7023589302 |
0.65 |
COC1C=C2C(C(N(C(C3CC(C)(C)CCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9291589586 |
0.65 |
COC1C=C2C(C(N(C(C3CCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9369926278 |
0.65 |
COC1C=C2C(C(N(C(CCC3CCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9631217652 |
0.65 |
C12CC(CO)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-1147898503 |
0.65 |
C12OCOC=1C=CC(C(CC[NH2+]CC1=CC=C3C(OCO3)=C1)CCC(C)C)=C2.[Cl-]
|
|
| MCULE-6323143737 |
0.65 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-8126397551 |
0.65 |
[Cl-].C12OCOC=1C=CC(C(CC[NH2+]CC1=CC=C(C(OC)=C1)OC)CCC(C)C)=C2
|
|
| MCULE-7508026245 |
0.65 |
C12=CC(=CC=C1OCO2)CNC1CCC(CC1)C1=CC=CC=C1
|
|
| MCULE-5784871398 |
0.65 |
Cl.N1(C)CCC2C(=CC3=C(OCO3)C=2)C1
|
|
| MCULE-2874696633 |
0.65 |
C12OCOC=1C=CC(C1CCCCN1)=C2
|
|
| MCULE-3105374625 |
0.65 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCC#N
|
|
| MCULE-5573353684 |
0.65 |
C12CC(C3CCCC3N1CCC1C=C(OC)C(OC)=CC2=1)=O
|
|
| MCULE-6608132584 |
0.65 |
[C@H]1(CN(C[C@H]1C1C=CC=C(OC)C=1)CC1C=CC2=C(OCO2)C=1)C(O)=O
|
|
| MCULE-7475476135 |
0.65 |
OC(C1CC1)CC(N1C(C2=CC3=C(OCO3)C=C2)CCC1)=O
|
|
| MCULE-7411451677 |
0.65 |
C1(OC)C=C2CCN3CC4C5OCOC=5C=CC=4CC3C2=CC=1OC
|
|
| MCULE-5656969981 |
0.65 |
C1C(OC)=C(OC)C=C2C=1CCN1CC3C4OCOC=4C=CC=3[C@H](C)[C@]21[H]
|
|
| MCULE-7896215394 |
0.65 |
OC(C1CCC(C(N2C(C3C=CC4OCOC=4C=3)CCC2)=O)CC1)=O
|
|
| MCULE-7286241035 |
0.65 |
COC1=C(OC)C=C2C(CCN(C(C3C4(C5=C(C=CC=C5)CCC4)C3)=O)C2CC(O)=O)=C1
|
|
| MCULE-1148240972 |
0.65 |
COC1=CC=C(C2(CCOCC2)CNC2C3=C(C(=CC=C3)O)CCC2)C=C1
|
|
| MCULE-3744241209 |
0.65 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C)(C)C1)C1C=CC(=CC=1)OC
|
|
| MCULE-5528893996 |
0.65 |
N1(CCC2(C([H])(CCCC2)C1C1=CC=C(C(OC)=C1)O)O)CC1C=CC=CC=1F
|
|
| MCULE-2569746786 |
0.65 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)O)O)CC1C=CC=CC=1F
|
|
| MCULE-6549588388 |
0.65 |
Cl.COC1C=C2C(CN(CC2)CCCCC(=O)O)=CC=1OC
|
|
| MCULE-4703348677 |
0.65 |
C12=CC(OCC)=C(OC)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-2832434878 |
0.65 |
[Cl-].C1(C2=CC=C(C(OCC)=C2)O)[NH2+]CCC2(CCCCC12)O
|
|
| MCULE-9158749888 |
0.65 |
C1(=CC(OC)=C(C(OC)=C1)O)C1NCCC2(CCCCC12)O.Cl
|
|
| MCULE-8814877069 |
0.65 |
COC1=CC2=C(CCC2NC[C@@H]2[C@@H](O)CCC2)C=C1
|
|
| MCULE-9697063518 |
0.65 |
C12CN(CCC=1C=C(OC)C(OC)=C2)CCC1CCCCN1
|
|
| MCULE-7318164196 |
0.65 |
O1COC2C1=CC1CCN(C)CC3C4=C(C=CC=3CC(O)C=1C=2)OCO4
|
|
| MCULE-4722850664 |
0.65 |
COC1C=CC2CCCC(NC3CCC(N)CC3)C=2C=1
|
|
| MCULE-5003996109 |
0.65 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(CCC1(CCC(=O)N1)CCC(O)=O)=O
|
|
| MCULE-8596542180 |
0.65 |
N1(CCCC(CO)(CC2=CC=CC=C2C)C1)C(=O)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3038266678 |
0.65 |
[I-].[I-].C1CC2C(CCC[N+]2(CC1)C)COC(C)C[N+]1(C)CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-2352482643 |
0.65 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1CCN)OCCO3
|
|
| MCULE-1514692384 |
0.65 |
C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-2419500499 |
0.65 |
C1(=S)NC2(CCCC2)CC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-039-339-180 |
0.65 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C1=C(OCO1)C=C4
|
|
| MolPort-046-684-160 |
0.65 |
[Cl-].C1OC2=CC3=C(C=C2O1)[C@@H]1CC2=C(C[NH+]1CC3)C1=C(OCO1)C=C2
|
|
| MolPort-045-983-493 |
0.65 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)C1CC11CCCC2=CC=CC=C12
|
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COC1=CC=CC(=C1)[C@@H]1CN(CC2=CC=C3OCOC3=C2)C[C@H]1C(O)=O
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COC1=CC=C(C=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
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Cl.CC(C)C1CC(CCNCC2=CC=C3OCOC3=C2)(CCO1)C1=CC=CC=C1
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CO[C@H]1CC[C@]2(CCN(CC3=CC4=C(OCO4)C=C3C)[C@H]2C1)OC
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CO[C@]12CCN(CC3=CC4=C(OCO4)C=C3C)[C@H]1C[C@@H](O)CC2
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COC1=CC=CC2=C1CCCC2NC1CCCC1CCO
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OC12CCCCC1[C@@H](N(C\C=C\C1=CC=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
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O[C@]12CCCC[C@H]1[C@@H](N(C\C=C\C1=CC=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
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Cl.CC1(C)CC(CCNCC2=CC3=C(OCO3)C=C2)(CC2=CC=CC=C2)CCO1
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COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
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C1OC2=C(O1)C=C1CNCCC1=C2
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OC1=CC2=C(CCCC2NCCC2=CC3=C(OCCO3)C=C2)C=C1
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COC1C=C2C(C(N(C(CCC3CC3)=O)CC2)CC(=O)O)=CC=1OC
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CCC1(C(C(N2C(CC(=O)O)C3C=C(C(=CC=3CC2)OC)OC)=O)C1)C
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CCCCC(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)CC
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COC1C=CC2C(NC3CCC(C(=O)O)CC3)CCCC=2C=1
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N1(CC2C=CC=CC=2C#N)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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N1(CC2C=CC=CC=2C#N)C[C@@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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COC1=CC2=C(CC(N(C(C3CCOCC3)=O)C2)C2CCCCC2)C=C1
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N1(CCCC(C)(CC2=CC=C3C(OCO3)=C2)C1)CC1=CC=C(C(O)=C1)OC
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N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC2=C(OCO2)C=1
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COC1C=CC2C(N(C(C3CCC(C(=O)O)CC3)=O)C(CC=2C=1)C)C
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[I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
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N1(CC2=CC=C(C=C2C)C)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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OC(C1CC(C(N2C(C3C=CC4OCOC=4C=3)CCC2)=O)CCC1)=O
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C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC
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0.64 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)O)=O)C=C1C(OCO1)=C2OC
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0.64 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)OC)=O)C=C1C(OCO1)=C2OC
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|
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0.64 |
C12=C(CCN(C)C1CC(CCC1C=CC(=C(OC)C=1)O)=O)C=C1C(OCO1)=C2OC
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|
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0.64 |
C12=C(CCN(C)C1CC(CCC1C=CC3=C(OCO3)C=1)=O)C=C1C(OCO1)=C2OC
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0.64 |
COC1=C(O)C=C2C(CN(C(CC(C3CC3)O)=O)CC2)=C1
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N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC=C(C(OCC)=C1)O
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0.64 |
C12OCOC1=CC(CNC1CCCC3C=CC=CC1=3)=CC=2OC
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0.64 |
CNCC(CN1C(C)C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)C1)O
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|
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N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O)C(=O)C1C=CC=CC=1OC
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COC1=C(OC)C=C2C(CCN(C2)CC2(C(O)=O)CC2)=C1
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N1(CC2=CC=C(C=C2)C)CCC2(C(CCCC2)C1C1=CC(OC)=C(C(OC)=C1)OC)O
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C12=CC(CNCCCC(C3=CC=C(C=C3)C)C3CCOC(C)(C)C3)=CC=C1OCO2
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C12C(CCO)NCCC=1C=C(C(OCC)=C2)OCC
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|
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C12C(CCN(C)C1CC(=O)C13CC4CC(CC(C4)C1)C3)=CC1=C(OCO1)C=2OC
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|
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0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(C)CC1=CC=CC(=C1)C(F)(F)F
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|
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0.64 |
C12=CC(=CC=C1OCO2)CNC1CCC(CC1)C1=CC=CC=C1.C(C(=O)O)(=O)O
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0.64 |
[C@]12(C)CC[C@]3([C@@]([H])([C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)N1CCC2=C(C=C(C(OC)=C2)OC)C1)[H]
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|
| MCULE-3731584988 |
0.64 |
C1(=CC=CC=C1)CC1C2C(OC)=C(OC)C=CC=2CC2N1CCC1C2=CC2OCOC=2C=1
|
|
| MCULE-3550990628 |
0.64 |
C12(C)CCC3(C([H])(C(O)CC4([H])CC(O)CCC34C)C1([H])CCC2([H])C(C)CCC(=O)N1CCC2=C(C=C(C(OC)=C2)OC)C1)[H]
|
|
| MCULE-1748531253 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C1CCN(CC1CCC(OC)=O)CC1=CC=CC=C1
|
|
| MCULE-1142969405 |
0.64 |
[C@@]12(C)[C@@]([H])([C@H](C)CCC(=O)N3CCC4=C(C=C(C(OC)=C4)OC)C3)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(C[C@H]1O)[H])O)C[C@@H]2O)[H]
|
|
| MCULE-9182503057 |
0.64 |
C12CN(CCCC3C=CC=CC=3)CCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-5820865271 |
0.64 |
COC1C=C2C(CN(CC2)CC2CCNCC2)=CC=1OC
|
|
| MCULE-4239205032 |
0.64 |
C12CN(CCC=1C=C(OC)C(OC)=C2)CCC(C)C1=CC=CC=C1
|
|
| MCULE-7117637993 |
0.64 |
C12=CC(CNCCC(CCC(C)C)C3=CC=C(C=C3)OC)=CC=C1OCO2
|
|
| MCULE-5177877488 |
0.64 |
C(N1C(C2=CC3=C(OCO3)C=C2)CCC1)C1CCNCC1
|
|
| MCULE-9905747891 |
0.64 |
COC1C=C2C(CN(CC2)CCC2CCNCC2)=CC=1OC
|
|
| MCULE-5303692635 |
0.64 |
COC1C=C2C(C(N(C(CCCC3CCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9038902697 |
0.64 |
COC1C=C2C(C(N(C(CC3CCCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-3577312671 |
0.64 |
COC1C=C2C(C(N(C(CCC3CCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7610840384 |
0.64 |
COC1C=C2C(C(N(C(CCC3CCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5490671364 |
0.64 |
COC1C=C2C(C(N(C(C3CCCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2175518317 |
0.64 |
COC1C=C2C(C(N(C(C(CC3CCCC3)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-8030799675 |
0.64 |
COC1=CC2=C(CN(CC32CC3)CC2CC2)C=C1
|
|
| MCULE-5594122852 |
0.64 |
C12OCOC=1C=C1CCNCC1=C2
|
|
| MCULE-5574529686 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4508435763 |
0.64 |
C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-2144214276 |
0.64 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6248551129 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-4774192101 |
0.64 |
C12=CC(C[NH2+]CCCC(CC3C=CC=CC=3)C3CCOC(C)(C)C3)=CC=C1OCO2.C(=O)([O-])C(O)=O
|
|
| MCULE-5104842415 |
0.64 |
COC1=CC2=C(CC(N(C(C)=O)C2)C2CCCCC2)C=C1
|
|
| MCULE-5988513768 |
0.64 |
COC1=CC2=C(C(N(C(CC3(C(O)=O)CCCC3)=O)C(C2)C)C)C=C1
|
|
| MCULE-7851906921 |
0.64 |
COCCN1C(C)C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)C1
|
|
| MCULE-4400069664 |
0.64 |
C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
|
|
| MCULE-9783615335 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2977001863 |
0.64 |
C1(=CC=CC2OCOC1=2)CN1CCC(CC1)(CCCC1C=CC=CC=1)CO
|
|
| MCULE-6345887730 |
0.64 |
[N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1
|
|
| MCULE-4193085131 |
0.64 |
N1(CC2=CC(C)=CC=C2C)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-5239976798 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)CC1=CC=C(C=C1C)C
|
|
| MCULE-9675188900 |
0.64 |
COC1C=C2C(CN(C(C3CC(C(=O)O)CCC3)=O)CC2)=CC=1OC
|
|
| MCULE-6059112727 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(CCC1(CCC(=O)N1)CC1C=CC=CC=1)=O
|
|
| MCULE-5950451537 |
0.64 |
COCCC(N1C(C)C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)C1)=O
|
|
| MCULE-5057995245 |
0.64 |
C12=CC(CNCCC(CCC(C)C)C3=CC=C(C=C3)OC(C)C)=CC=C1OCO2
|
|
| MCULE-8085699301 |
0.64 |
COC1C=CC2C(N(C(CC=2C=1)C)CC1CCNCC1)C
|
|
| MCULE-9778031574 |
0.64 |
C1C=CC([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2C=CC=C(OC)C=2)=CC=1
|
|
| MCULE-9533544703 |
0.64 |
N#CCN1C(C2=CC3=C(OCO3)C=C2)CCC1
|
|
| MCULE-4002165088 |
0.64 |
N1(CC2=CC=CC(O)=C2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-5563086098 |
0.64 |
COC1=CC2=C(CN(C(C3(CCC3)CO)=O)CC32CC3)C=C1
|
|
| MCULE-2903470378 |
0.64 |
CCCCC(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C
|
|
| MCULE-6367783593 |
0.64 |
CCCC(CC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C
|
|
| MCULE-7619225094 |
0.64 |
COC1C=C2C(C(N(C(CC(CC(C)C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5200510111 |
0.64 |
O=C(C12CC3CC(C1)CC(C3)C2)N1CC2(CCCC2)C2=C(C=C3C(=C2)OCCO3)C1
|
|
| MCULE-5863201072 |
0.64 |
C1(OC)C(OC)=CC2C[NH+](CC3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
|
|
| MCULE-9514199533 |
0.64 |
CC(C1CC1)(CC(NC1(C2=CC3=C(OCO3)C=C2)CC1)=O)O
|
|
| MCULE-7958698284 |
0.64 |
[C@H]12CN(C[C@H]1CCC[C@]2(O)C1=CC=CC=C1)CC1=CC2OCOC=2C=C1Cl
|
|
| MCULE-7318447518 |
0.64 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O)C(OC)=O
|
|
| MCULE-9158812025 |
0.64 |
C(C1C2OC(CC2)C1)NCC1(C2=CC3=C(OCO3)C=C2)CCOCC1
|
|
| MCULE-4089208718 |
0.64 |
[C@H]1(N(CC#N)CC[C@]2(CCCC[C@@]12[H])O)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-8560110200 |
0.64 |
C12C(CCNC1C(CO)CO)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-3958311923 |
0.64 |
C1(N(CC#N)CCC2(CCCCC12)O)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-2406899247 |
0.64 |
COC1C=CC2C(N(C(C3CC(C(=O)O)CCC3)=O)C(CC=2C=1)C)C
|
|
| MCULE-5858172771 |
0.64 |
C12C(CCC3C=CC=CC=3)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-2278099605 |
0.64 |
[C@H]1(CN(C[C@H]1C1C=CC2=C(OCO2)C=1)CC1C=CC=C(OCC)C=1)C(O)=O
|
|
| MCULE-7212475700 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)C1CCCCCC1
|
|
| MCULE-9862058493 |
0.64 |
C1(F)(F)OC2=C(C=C(C=C2)CN2C[C@@H]3[C@@H]([C@@](CC)(CCC3)O)C2)O1
|
|
| MCULE-4290161324 |
0.64 |
CCCC(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C(C)C
|
|
| MCULE-1295806949 |
0.64 |
COC1C=C2C(C(N(C(C3C(C)(C)C3(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9774780608 |
0.64 |
COC1C=C2C(C(N(C(C(C3CC3)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5959196755 |
0.64 |
COC1C=C2C(C(N(C([C@@H]3C(C)(C)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5747197424 |
0.64 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC=C(C=C1C)F
|
|
| MCULE-4945312899 |
0.64 |
OC(CCCCC(N1C(C2C=CC3OCOC=3C=2)CCC1)=O)=O
|
|
| MCULE-9936009576 |
0.64 |
FC(CCN1C(C2C=CC3OCOC=3C=2)CCC1)(F)F
|
|
| MCULE-2801266347 |
0.64 |
C12C(CCN(C)C1CC(CCC(C)=O)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8175727011 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4590614455 |
0.64 |
CC(C)C[C@@H]1C(=O)C[C@@H]2N(CCC3C2=CC(OC)=C(OC)C=3)C1.CS(=O)(O)=O
|
|
| MCULE-4003822171 |
0.64 |
COC1=C(OC)C=C2C(CCN(C(CN3C4C(CCCC4)C(O)CC3)=O)C2)=C1
|
|
| MCULE-1529777808 |
0.64 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC(OC)=CC(OC)=C1
|
|
| MCULE-4523640751 |
0.64 |
C(O)(=O)C(O)=O.C12=CC(CNCCC(CC3C=CC=CC=3)C3CCOC(C)(C)C3)=CC=C1OCO2
|
|
| MolPort-010-473-676 |
0.64 |
COCCN1CC2(CCCC2)C2=CC3=C(OCCO3)C=C2C1C
|
|
| MolPort-000-747-700 |
0.64 |
[Br-].COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-518-092 |
0.64 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-731-955 |
0.64 |
OC(=O)C([O-])=O.CC1(C)CC(CCO1)C(CCC[NH2+]CC1=CC2=C(OCO2)C=C1)CC1=CC=CC=C1
|
|
| MolPort-044-477-056 |
0.64 |
COC1=CC=C2CC(C3CCCCC3)N(CC2=C1)C(C)=O
|
|
| MolPort-009-758-055 |
0.64 |
OC(=O)C(O)=O.CC1(C)CC(CCO1)C(CCCNCC1=CC2=C(OCO2)C=C1)CC1=CC=CC=C1
|
|
| MolPort-002-514-529 |
0.64 |
COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
|
|
| MolPort-002-515-308 |
0.64 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-660 |
0.64 |
COC1=C2C(CC(=O)CC3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-730-695 |
0.64 |
[I-].COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-110-045 |
0.64 |
OCC1(CCCC2=CC=CC=C2)CCN(CC2=C3OCOC3=CC=C2)CC1
|
|
| MolPort-000-724-870 |
0.64 |
[I-].COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-019-683-727 |
0.64 |
N#CCN1CCCC1C1=CC=C2OCOC2=C1
|
|
| MolPort-021-804-047 |
0.64 |
COC1=CC=CC(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2C2=CC=CC=C2)=C1
|
|
| MolPort-002-627-736 |
0.64 |
CC(C)CCC(CCNCC1=CC2=C(OCO2)C=C1)C1=CC=C(OC(C)C)C=C1
|
|
| MolPort-039-122-497 |
0.64 |
COC(=O)CC[C@H]1CN(CC2=C(C)C=C(C)C=C2)CC[C@H]1N1CCC2=CC(OC)=C(OC)C=C2C1
|
|
| MolPort-028-596-740 |
0.64 |
CC1=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=C(C)C=C1
|
|
| MolPort-039-108-897 |
0.64 |
COC1=C(OC)C=C2CN(CCC2=C1)C(=O)CCC1(CC2=CC=CC=C2)CCC(=O)N1
|
|
| MolPort-002-513-248 |
0.64 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-199 |
0.64 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-968-364 |
0.64 |
COCCC(=O)N1CC2(CCCC2)C2=CC3=C(OCCO3)C=C2C1C
|
|
| MolPort-005-539-712 |
0.64 |
O=C(N1CC2=CC3=C(OCCO3)C=C2C2(CCCC2)C1)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-028-592-452 |
0.64 |
OC1=CC=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=C1
|
|
| MolPort-039-476-554 |
0.64 |
CC(O)(CC(=O)NC1(CC1)C1=CC=C2OCOC2=C1)C1CC1
|
|
| MolPort-046-780-568 |
0.64 |
COC1=CC2=C(CN(CCC3COCCO3)CC2)C=C1OC
|
|
| MolPort-007-564-079 |
0.64 |
COC1=CC2=C(CC(C)(C)N(CC3=CC=CC=C3)C2)C=C1OC
|
|
| MolPort-044-179-003 |
0.64 |
COC(=O)N1CCC2(O)CCCCC2[C@@H]1C1=CC2=C(OCO2)C=C1
|
|
| MolPort-046-560-240 |
0.64 |
O[C@@]1(CCC[C@@H]2CN(CC3=C(Cl)C=C4OCOC4=C3)C[C@H]12)C1=CC=CC=C1
|
|
| MolPort-002-521-848 |
0.64 |
COC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1C1=CC2=C(OCO2)C=C1
|
|
| MolPort-044-179-178 |
0.64 |
COC1=CC(=CC(OC)=C1OC)[C@H]1C2CCCCC2(O)CCN1CC#N
|
|
| MolPort-002-054-189 |
0.64 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CO)CO
|
|
| MolPort-021-804-564 |
0.64 |
CCC1C[N+]2([O-])CCC3=CC(OC)=C(OC)C=C3C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-002-741-701 |
0.64 |
COC1=CC(=CC(OC)=C1OC)C1C2CCCCC2(O)CCN1CC#N
|
|
| MolPort-002-530-062 |
0.64 |
COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC#N
|
|
| MolPort-003-733-569 |
0.64 |
COC1=C(OC)C=C2C(CCC3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-046-579-243 |
0.64 |
CC[C@@]1(O)CCC[C@@H]2CN(CC3=CC=C4OC(F)(F)OC4=C3)C[C@H]12
|
|
| MolPort-027-830-506 |
0.64 |
CCOC1=CC=CC(CN2C[C@H]([C@@H](C2)C2=CC3=C(OCO3)C=C2)C(O)=O)=C1
|
|
| MolPort-005-150-426 |
0.64 |
COC(=O)CC[C@H]1CN(CC[C@H]1N1CCC2=CC(OC)=C(OC)C=C2C1)C1CCCCCC1
|
|
| MolPort-019-807-821 |
0.64 |
CC1=C(CN2CC[C@H]([C@H](O)C2)C2=CC3=C(OCO3)C=C2)C=CC(F)=C1
|
|
| MolPort-038-954-657 |
0.64 |
FC(F)(F)CCN1CCCC1C1=CC=C2OCOC2=C1
|
|
| MolPort-046-596-770 |
0.64 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
|
|
| MolPort-002-524-288 |
0.64 |
COC1=C(O)C=C2CCN(CC3[C@H]4C[C@H]5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
|
|
| MolPort-044-181-443 |
0.64 |
CS(O)(=O)=O.COC1=C(OC)C=C2[C@@H]3CC(=O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-002-520-745 |
0.64 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-128 |
0.64 |
COC1=C2C(CC(=O)CCC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-653-139 |
0.64 |
COC1=CC=C2CCC(N[C@@H]3CC4(CN(C)C4C(C)C)C[C@H]3O)C2=C1
|
|
| MolPort-002-513-108 |
0.64 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-152 |
0.64 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
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COC1=CC(OC)=CC(CN2CC[C@H]([C@H](O)C2)C2=CC3=C(OCO3)C=C2)=C1
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OCCC1CCCCN1CC1=CC=C2OCOC2=C1
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COC1=CC(CC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1O
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C(N1CCC2=CC=CC=C2C1)C1=CC=C2OCOC2=C1
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COC1=CC2=C(CN(CCCO)CC2)C=C1OC
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[I-].COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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CCOC1=C(OCC)C=C2C(NCCC2=C1)C(C)CC
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COC1=C(OC)C=C2C(CCNC2(C)C(C)(C)O)=C1
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CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CC)CC
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COC1=C2C(CC(=O)C3CCCCC3=O)N(C)CCC2=CC2=C1OCO2
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CCCCC(=O)N1CC2=C(CC1(C)C)C=C(OC)C(OC)=C2
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COC1=CC=C(CNCCC(CCC(C)C)C2=CC=C3OCOC3=C2)C=C1
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CCCC1(CO)CCN(CC(=O)N2CCC3=CC(OC)=C(OC)C=C3C2)C1
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CC1=CC=C(C=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
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CC(O)CC(C)(C)CNC(C)C1=CC=C2OCOC2=C1
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COC1=CC=C(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=C1
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COC1=C(OC)C=C2CN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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[I-].COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
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CC1=CC2=C(OCO2)C=C1CN1CC[C@](C)(O)[C@@H](O)C1
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CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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CCOC1=C(O)C=CC(=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC1=C(F)C=CC=C1
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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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COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C(C)C)N(C)CCC2=CC2=C1OCO2
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CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
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0.63 |
O[C@@H]1CN(CC2=CC(F)=CC=C2)CC[C@H]1C1=CC2=C(OCO2)C=C1
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N1(CCCCC1CCO)CC1C=CC2=C(OCO2)C=1
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N1(CCC2=C(C=CC=C2)C1)CC1C=CC2=C(OCO2)C=1
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COC1=C(OC)C=C2C(CCN(C2)CCCO)=C1
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(C)CC1=CC=C(C(OC)=C1)O
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C12CCCCC1(O)CCNC2C1=CC=CC(OC)=C1
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[Cl-].C12OCOC=1C=C1CC[NH2+]CC1=C2
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CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(CCCCC(=O)O)=O)OCCO3
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0.63 |
COC1C=C2C(C(N(C(C3CCC(F)(F)CC3)=O)CC2)CC(=O)O)=CC=1OC
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0.63 |
[N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1.[I-].[I-]
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0.63 |
C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
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C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
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C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
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| MCULE-5941065349 |
0.63 |
C12C(CC(C)C)NCCC1=CC(OC)=C(OCC)C=2
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COC1C=C2C(C(N(C(C3CCCC3)=O)CC2)CC(=O)O)=CC=1OC
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| MCULE-9497733095 |
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C12=C(O)C(OC)=CC=C1C(C1CC(=O)CCN1C2)O
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| MCULE-3990987114 |
0.63 |
COC1C=C2C(C(N(C(CCC3OC(C)CC3)=O)CC2)CC(=O)O)=CC=1OC
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| MCULE-7445602245 |
0.63 |
COC1C=C2C(C(N(C(CCC3OCCCC3)=O)CC2)CC(=O)O)=CC=1OC
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| MCULE-4592993335 |
0.63 |
COC1C=C2C(C(N(C(CCC3OCCC3)=O)CC2)CC(=O)O)=CC=1OC
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| MCULE-8106290854 |
0.63 |
OC1=C2C(C(C(NC3(C4=CC5=C(OCO5)C=C4)CC3)=O)CCC2)=CC=C1
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| MCULE-5372781347 |
0.63 |
OC(C1C=CC(CNCC2(C3C=CC4OCOC=4C=3)CCCCC2)=CC=1)=O
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| MCULE-5830453090 |
0.63 |
N1(CCN(CC1)CC1=C(C)C=C2C(OCO2)=C1)C1CCC2=C(C=CC=C2)C1
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| MCULE-7646910911 |
0.63 |
N1(CCC2(C([H])(CCCC2)C1C1=CC(OC)=C(C(OC)=C1)OC)O)CC1C=CC=CC=1F
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0.63 |
N1(C(CCCC)=O)CC2C=C(OC)C(=CC=2CC1(C)C)OC
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| MCULE-8543196449 |
0.63 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC(OC)=C(C(OC)=C1)OC)O)CC1C=CC=CC=1F
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| MCULE-1241830141 |
0.63 |
N#CC1=CC(CNCC2(C3=CC4=C(OCO4)C=C3)CCOCC2)=CC=C1
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| MCULE-4775231775 |
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COC1C=CC2C(NC3CCC(N)CC3)CCCC=2C=1
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| MCULE-1607364777 |
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C12OCOC=1C=CC(C(CCNCC1=CC=C(OC)C=C1)CCC(C)C)=C2
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| MCULE-7892787421 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CC2=C(C=CC=C2)C1
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|
| MCULE-6312725175 |
0.63 |
[Cl-].C1(OC)C(OC)=CC2C[NH+](CC3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
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|
| MCULE-8916013508 |
0.63 |
CCCC1(CN(CC(N2CC3=C(C=C(C(=C3)OC)OC)CC2)=O)CC1)CO
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|
| MCULE-2288198189 |
0.63 |
C(CNCC1C=CC2OCOC=2C=1)C1(C2=CC=C(C)C=C2)CCOC(C)(C1)C
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|
| MCULE-4113214425 |
0.63 |
C12CN(CCC=1C=C(OCC)C(OCC)=C2)CCC1CCCCN1
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| MCULE-4788897039 |
0.63 |
COC1=CC2=C(CC(C3=CC=CC=C3)N(C2)CCCCC(O)=O)C=C1
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|
| MCULE-3826285458 |
0.63 |
C12=CC(CNCCC(C3C=CC(=CC=3)C)C3CCOC(C)(C)C3)=CC=C1OCO2
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|
| MCULE-6757059496 |
0.63 |
[C@@H]1(NC(CCC2=CC=C3C(OCO3)=C2)=O)C2=CC=CC=C2C2(CCNCC2)[C@H]1O
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| MCULE-3224836806 |
0.63 |
CC(CC(CNC(C1=CC2=C(OCO2)C=C1)C)(C)C)O
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| MCULE-1106018248 |
0.63 |
OC(C1(CCC1)CC(N1C(C2C=CC3OCOC=3C=2)CCC1)=O)=O
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|
| MCULE-8859894667 |
0.63 |
N1(CC2C=CC=CC=2)CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1
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| MCULE-2340718939 |
0.63 |
N1(CCC2C(=CC=C(OC)C=2)C1)CC1CCCOC1
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| MCULE-9358351256 |
0.63 |
OC(C1CCC(NCC2(C3C=CC4OCOC=4C=3)CCCCC2)CC1)=O
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|
| MCULE-2533535089 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7192651058 |
0.63 |
N1(CCC2=C(C1)C=C(C(OC)=C2)OC)CC(COCC1CC2CC1CC2)O
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|
| MCULE-2849610075 |
0.63 |
N1(CC2C=CC(=CC=2)O)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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|
| MCULE-1524671356 |
0.63 |
C1(CCNCC2C=CC3=C(OCO3)C=2)(C2=CC=C(C=C2)F)CC(C(C)C)OC(C(C)C)C1
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|
| MCULE-7175585320 |
0.63 |
C12(C)CCC(CC1OCC(O)CN1CCC3=C(C=C(C(OC)=C3)OC)C1)C2(C)C
|
|
| MCULE-6477357242 |
0.63 |
COC1C=C2C(CN(C(CCCCC(=O)O)=O)CC2)=CC=1OC
|
|
| MCULE-1244409784 |
0.63 |
N1(CC2C=CC(=CC=2)OC)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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|
| MCULE-4319198240 |
0.63 |
OC(C1C=CC=C(CNCC2(C3C=CC4OCOC=4C=3)CCCCC2)C=1)=O
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|
| MCULE-5079120375 |
0.63 |
N1(CC2C=CC3=C(OCO3)C=2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC(=CC=1)OC
|
|
| MCULE-5287660879 |
0.63 |
C12(CCN(CC1)C(=O)CC1C=CC3=C(OCO3)C=1)[C@@H](O)[C@@H](C1=CC=CC=C21)N
|
|
| MCULE-9354848765 |
0.63 |
N1(CC[C@]([C@@H](O)C1)(C)O)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-8429678911 |
0.63 |
COC1=CC=C([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2C=CC(OC)=CC=2)C=C1
|
|
| MCULE-4488135397 |
0.63 |
C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1239040532 |
0.63 |
C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9824572468 |
0.63 |
C12C(CCN(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2580202854 |
0.63 |
C12=C(CCN(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4722878192 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4276964077 |
0.63 |
N#CC1C=CC(CNCC2(C3C=CC4OCOC=4C=3)CCOCC2)=CC=1
|
|
| MCULE-1852458989 |
0.63 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OCC)=C1)O)O)CC1C=CC=CC=1F
|
|
| MCULE-1754541045 |
0.63 |
CCOC1=C(OCC)C=C2C(CCN(C2)CCCCC(O)=O)=C1
|
|
| MCULE-3499779940 |
0.63 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC=CC(F)=C1
|
|
| MCULE-6856951846 |
0.63 |
N1(CCC2(C([H])(CCCC2)C1C1=CC=C(C(OCC)=C1)O)O)CC1C=CC=CC=1F
|
|
| MCULE-8052279188 |
0.63 |
C1(CC(O)CCN1)C1C=CC(=C(OC)C=1)OC
|
|
| MCULE-7292000818 |
0.63 |
C12=CC(=CC=C1OCO2)CNC1CC2=C(C=CC=C2)C1
|
|
| MCULE-4255197307 |
0.63 |
Cl.C12CCCCC1(O)CCNC2C1=CC=CC(OC)=C1
|
|
| MCULE-3267524972 |
0.63 |
COCCCN1CC2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-1616976800 |
0.63 |
C1(=CC=C(C(OC)=C1)OC)C1(CCCC1)CNCC1C=CC(=C(OC)C=1)OC
|
|
| MCULE-9342278607 |
0.63 |
[H]Cl.C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2722992989 |
0.63 |
[H]Cl.C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-7067373687 |
0.63 |
[H]Cl.C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-1070712624 |
0.63 |
C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3487593074 |
0.63 |
COC1C=CC2C(N(C(CCCCC(=O)O)=O)C(CC=2C=1)C)C
|
|
| MCULE-3544382331 |
0.63 |
CCCCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O
|
|
| MCULE-7965817204 |
0.63 |
CCCC(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C
|
|
| MCULE-1685372606 |
0.63 |
CCC(C(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C)CC
|
|
| MCULE-6686329062 |
0.63 |
C12(CCN(CC1)C(=O)C1C=CC3=C(OCO3)C=1)[C@@H](O)[C@@H](C1=CC=CC=C21)N
|
|
| MCULE-5604507895 |
0.63 |
CCC(CC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C
|
|
| MCULE-1553594432 |
0.63 |
COC1C=C2C(C(N(C(CCC(C)(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7917027143 |
0.63 |
CCC(C(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C)C
|
|
| MCULE-9554633000 |
0.63 |
COC1C=C2C(C(N(C(CCC(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5784541816 |
0.63 |
COC1C=C2C(C(N(C(CCC3COCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-8123339039 |
0.63 |
COC1C=C2C(C(N(C(C3CC(C)OCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6912577041 |
0.63 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C([C@H]1C[C@@H](C(=O)O)CC1)=O)OCCO3
|
|
| MCULE-6816023217 |
0.63 |
COC1=C(OC)C=C2C(CCN(C(C)=O)C2C2CC2)=C1
|
|
| MCULE-9355615024 |
0.63 |
C12(CCNCC1)[C@@H](O)[C@@H](C1=CC=CC=C21)NCC1=CC=C(C(OC)=C1)OC
|
|
| MCULE-9245068978 |
0.63 |
COC1=C(O)C=C2C(CN(C(C3(CCC3)CO)=O)CC2)=C1
|
|
| MCULE-3918034492 |
0.63 |
O[C@@H]1C[C@](C2=CC=CC=C2)(C(NCC2=CC3OCOC=3C=C2)=O)C1
|
|
| MCULE-1132331187 |
0.63 |
COCC(C(N1C(C2CCCCC2)CC2C=CC(=CC=2C1)OC)=O)N
|
|
| MCULE-2226293680 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=NO)C(CC(C)C)C2
|
|
| MCULE-6550417030 |
0.63 |
C1(CC21CCN(CC2)C(CCC1=CC=C2C(OCO2)=C1)=O)C(=O)N1CCC2C(=CC=CC=2)C1
|
|
| MCULE-2180880212 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1C/C(=N\O)/C(CC(C)C)C2
|
|
| MCULE-1293071389 |
0.63 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1C(CC1CCCC1)=O)=O
|
|
| MCULE-6778519833 |
0.63 |
[Cl-].C12OCOC=1C=CC(C(CC[NH2+]CC1C=CC(OC)=CC=1)CCC(C)C)=C2
|
|
| MCULE-8407052594 |
0.63 |
[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-1468712024 |
0.63 |
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-3791845043 |
0.63 |
C12=CC(CNCCC(C3C=CC(=CC=3)C)C3CCOC(C)(C)C3)=CC=C1OCO2.Cl
|
|
| MCULE-9754253969 |
0.63 |
[Cl-].C1(CC[NH2+]CC2C=CC3=C(OCO3)C=2)(CCOC(C)(C)C1)C1C=CC(C)=CC=1
|
|
| MCULE-7822731379 |
0.63 |
C12(CC3CC(CC(C3)C1)C2)C(=O)CN1CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-4349491973 |
0.63 |
COC1C=C2C(CN(C(CC3(C(=O)O)CCC3)=O)CC2)=CC=1OC
|
|
| MCULE-3981618919 |
0.63 |
COC1C=C2C(C(N(C(CCCC3C=CC=CC=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7688684754 |
0.63 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(C1CC1)=O
|
|
| MCULE-4195273497 |
0.63 |
CC(NCCCC(N1CC2(CCCC2)C2=C(C=C3C(=C2)OCCO3)C1)=O)=O
|
|
| MCULE-9451700216 |
0.63 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(C1C(C(=O)O)C1)=O)OCCO3
|
|
| MCULE-8364503034 |
0.63 |
C12C(CCN(C)C1CC(=O)CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9938355481 |
0.63 |
C12CC(C)(C)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-8901980289 |
0.63 |
C12CC(C)NCC1=CC(OC)=C(OC)C=2
|
|
| MCULE-3358096239 |
0.63 |
N1(CCCC(CO)(CC2=CC=CC=C2C)C1)CC1=CC=C(C(OCC)=C1)OC
|
|
| MCULE-9137595022 |
0.63 |
COC1C=CC2CC(N(C(CCC3CNCC3)=O)CC=2C=1)C1CCCCC1
|
|
| MCULE-6514716530 |
0.63 |
Cl.N1(CCC2=C(C1)C=C(C(OC)=C2)OC)CC(COCC1CC2CC1CC2)O
|
|
| MCULE-8008770566 |
0.63 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-1447121958 |
0.63 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C(CC)CN2C(C3C=C(OC)C(=CC=3CC2)OC)C1)C(=O)C1C=CC(=CC=1)OCC
|
|
| MCULE-5267015184 |
0.63 |
[I-].C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9930157051 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2631734235 |
0.63 |
COC1C=C2C(C(N(C(CCC3CCOCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9371937190 |
0.63 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-6576556941 |
0.63 |
C(F)(F)(F)C1=CC=CC(=C1)C1(CCNCC2=CC=C3C(OCO3)=C2)CCOC(C)(C)C1
|
|
| MCULE-6170719457 |
0.63 |
N1(CCC2C(=CC=CC=2)C1)CC(O)COC1C=CC=C(C=1)CN[C@H]1CC[C@@H](CC1)O
|
|
| MCULE-9989183188 |
0.63 |
COC1C=CC2C(N(C(CC3(C(=O)O)CCC3)=O)C(CC=2C=1)C)C
|
|
| MCULE-9384531763 |
0.63 |
N1(C(CCl)=O)CC2=CC(OC)=C(C=C2C2(CCCC2)C1)OC
|
|
| MCULE-4097240093 |
0.63 |
COC1=C(OC)C=C2C(CCN(C(C3COCCC3)=O)C2C2CC2)=C1
|
|
| MCULE-1168206977 |
0.63 |
COC(CCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C
|
|
| MCULE-3862251077 |
0.63 |
C12=C(CCN(C)C1CC(C(C/C=C(\C)/C)C/C=C(/C)\C)=O)C=C1C(OCO1)=C2OC
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| MolPort-003-180-629 |
0.63 |
COC1=CC=C(CNCC2(CCCC2)C2=CC(OC)=C(OC)C=C2)C=C1OC
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|
| MolPort-015-094-942 |
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C(NC1CC2=CC=CC=C2C1)C1=CC2=C(OCO2)C=C1
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|
| MolPort-035-834-987 |
0.63 |
COCCCN1CCC2=CC(OC)=C(OC)C=C2C1
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| MolPort-044-721-482 |
0.63 |
Cl.COC1=CC=CC(=C1)C1NCCC2(O)CCCCC12
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COC1=CC2=C(CN(CCCCN)CC2)C=C1OC
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| MolPort-002-513-229 |
0.63 |
COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
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| MolPort-020-206-577 |
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N[C@H]1[C@H](O)C2(CCN(CC2)C(=O)C2=CC3=C(OCO3)C=C2)C2=C1C=CC=C2
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| MolPort-028-754-859 |
0.63 |
COC(=O)CC1N(CCC2=CC(OC)=C(OC)C=C12)C(=O)CC1CCCC1
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|
| MolPort-005-002-214 |
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O=C(CCC1=CC=C2OCOC2=C1)N1CCC2(CC2C(=O)N2CCC3=CC=CC=C3C2)CC1
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|
| MolPort-046-121-242 |
0.63 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(C)=O
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| MolPort-002-724-186 |
0.63 |
COC1=C(OC)C=C2C3C\C(=N/O)C(CC(C)C)CN3CCC2=C1
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| MolPort-020-204-658 |
0.63 |
COC1=CC=C(CN[C@H]2[C@H](O)C3(CCNCC3)C3=C2C=CC=C3)C=C1OC
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| MolPort-000-701-576 |
0.63 |
[Cl-].CC1=CC=C(C=C1)C1(CC[NH2+]CC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
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| MolPort-002-648-895 |
0.63 |
COC1=C(OC)C=C2CN(CC(=O)C34CC5CC(CC(C5)C3)C4)CCC2=C1
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| MolPort-000-792-068 |
0.63 |
[Cl-].COC1=CC=C(C[NH2+]CCC(CCC(C)C)C2=CC=C3OCOC3=C2)C=C1
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| MolPort-002-513-098 |
0.63 |
COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
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| MolPort-009-758-444 |
0.63 |
Cl.COC1=CC=C(CNCCC(CCC(C)C)C2=CC=C3OCOC3=C2)C=C1
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| MolPort-002-230-801 |
0.63 |
Cl.CC1=CC=C(C=C1)C(CCNCC1=CC2=C(OCO2)C=C1)C1CCOC(C)(C)C1
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|
| MolPort-002-331-661 |
0.63 |
Cl.CC1=CC=C(C=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
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|
| MolPort-002-536-371 |
0.63 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@@H](C)C2=C1
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| MolPort-002-527-813 |
0.63 |
COC1=C(O)C=C2CCN(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
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| MolPort-010-470-419 |
0.63 |
CC1N(CC2(CCCC2)C2=CC3=C(OCCO3)C=C12)C(=O)C1CC1
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|
| MolPort-002-506-975 |
0.63 |
COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
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| MolPort-009-485-238 |
0.63 |
CC(=O)NCCCC(=O)N1CC2=CC3=C(OCCO3)C=C2C2(CCCC2)C1
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| MolPort-002-518-962 |
0.63 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
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| MolPort-005-095-363 |
0.63 |
CCOC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC=C1OC
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| MolPort-005-289-675 |
0.63 |
Cl.COC1=C(OC)C=C2CN(CC(O)COCC3CC4CCC3C4)CCC2=C1
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|
| MolPort-042-578-585 |
0.63 |
CO[C@]12CCN(CC3=CC4=C(OCO4)C=C3C)[C@H]1C[C@H](CC2)OCCO
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|
| MolPort-000-701-087 |
0.63 |
[I-].COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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|
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0.63 |
C[N+]12CCC3=C(C=C4OCOC4=C3)C1(O)CC1=C(C2)C2=C(OCO2)C=C1
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|
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0.63 |
CCOC1=CC=C(C=C1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC1CC2N(CCC3=C2C=C(OC)C(OC)=C3)CC1CC
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|
| MolPort-000-706-016 |
0.63 |
[I-].COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
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0.63 |
[I-].CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-720-051 |
0.63 |
[I-].COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-909-587 |
0.63 |
COC1=C2C(CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-124-615 |
0.63 |
OC(COC1=CC(CN[C@H]2CC[C@H](O)CC2)=CC=C1)CN1CCC2=CC=CC=C2C1
|
|
| MolPort-046-122-149 |
0.63 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)C1CCCOC1
|
|
| MolPort-002-650-037 |
0.63 |
CC1(C)CC(CCNCC2=CC=C3OCOC3=C2)(CCO1)C1=CC=CC(=C1)C(F)(F)F
|
|
| MolPort-000-735-388 |
0.63 |
CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1N(CCC2=CC(OC)=C(OC)C=C12)C(=O)C1=CC=C(OCC(C)C)C=C1
|
|
| MolPort-002-639-806 |
0.63 |
COC1=C(O)C=CC(=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC1=CC=C(Cl)C=C1
|
|
| MolPort-046-106-916 |
0.63 |
O[C@@H]1CCC[C@H]1CNC1CCCC2=CC=C(O)C=C12
|
|
| MolPort-002-742-725 |
0.63 |
COC1=C(O)C=CC(=C1)C1C2CCCCC2(O)CCN1CC1=CC=C(Cl)C=C1
|
|
| MolPort-010-104-735 |
0.63 |
CC1N(CCC(=O)N(C)C)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MolPort-003-183-514 |
0.63 |
CC1C(NC(C(C)C1=O)C1=CC2=C(OCO2)C=C1)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-027-694-606 |
0.63 |
CC1(C)CCC(NCC2=CC=CC3=C2OCO3)C2=CC=CC=C12
|
|
| MolPort-019-820-990 |
0.63 |
CC1=CC(CN2CC[C@H]([C@H](O)C2)C2=CC3=C(OCO3)C=C2)=CC=C1O
|
|
| MolPort-016-899-713 |
0.63 |
Cl.COC1=C(OC)C=C(C=C1)C1CC(O)CCN1
|
|
| MolPort-009-758-113 |
0.62 |
[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
|
|
| MolPort-000-721-313 |
0.62 |
[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
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| MolPort-039-083-401 |
0.62 |
COC1=CC=C(C=C1OC)C1CCCN1CCC1CCCO1
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|
| MolPort-020-209-476 |
0.62 |
C(N1C[C@@H]([C@@H]2[C@H]1C1CCN2CC1)C1=CC2=C(OCO2)C=C1)C1=CC=CC=C1
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|
| MolPort-020-153-483 |
0.62 |
COCCN1CCCC1C1=CC=C2OCOC2=C1
|
|
| MolPort-045-993-232 |
0.62 |
CCOCCCC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
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|
| MolPort-020-225-901 |
0.62 |
C(N1C[C@H]([C@@H]2[C@H]1C1CCN2CC1)C1=CC2=C(OCO2)C=C1)C1=CC=CC=C1
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|
| MolPort-021-775-834 |
0.62 |
CO[C@H]1[C@H](NC(=O)CC2=CC=C3OCOC3=C2)C2=C(C=CC=C2)C11CCNCC1
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| MolPort-045-991-286 |
0.62 |
CCC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-046-690-333 |
0.62 |
COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
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|
| MolPort-042-693-257 |
0.62 |
C(NCC1(CC1)C1=CC=C2OCOC2=C1)C1=CC=CC=C1
|
|
| MolPort-002-513-630 |
0.62 |
COC1=C(OC)C=C2CN(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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| MolPort-005-106-683 |
0.62 |
COC1=CC=CC(CC2(CO)CCCN(CC3=CC(OC)=C(OC)C(OC)=C3)C2)=C1
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| MolPort-039-339-049 |
0.62 |
COC1=C2O[C@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
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|
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0.62 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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|
| MolPort-000-827-872 |
0.62 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-008-430-081 |
0.62 |
CN1C(C(C(O)=O)C2=C(C=CC=C2)C1=O)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-009-758-247 |
0.62 |
Br.COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-005-165-611 |
0.62 |
COC(=O)CC[C@H]1CN(CC2=CC=CC(OC3=CC=CC=C3)=C2)CC[C@H]1N1CCC2=CC(OC)=C(OC)C=C2C1
|
|
| MolPort-001-964-355 |
0.62 |
O=C1C2CCCC1C(NC2C1=CC2=C(OCO2)C=C1)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-021-803-808 |
0.62 |
COC1=CC=C(C=C1)[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NCC1=CC=CC=C1
|
|
| MolPort-039-119-507 |
0.62 |
COC(=O)CC[C@H]1CN(CC2=C(O)C=CC=C2)CC[C@H]1N1CCC2=CC(OC)=C(OC)C=C2C1
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|
| MolPort-021-804-042 |
0.62 |
COC1=CC=C(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2C2=CC=CC=C2)C=C1
|
|
| MolPort-002-516-591 |
0.62 |
COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-083 |
0.62 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2CCCCC2)C=C1OC
|
|
| MolPort-027-810-850 |
0.62 |
NCCC1=CC=CC(CN2C[C@H]([C@@H](C2)C2=CC3=C(OCO3)C=C2)C(O)=O)=C1
|
|
| MolPort-006-643-739 |
0.62 |
COC1=C(OC)C=C2C(C(C)C)N(CCC2=C1)C(=O)CC(C)CC(C)(C)C
|
|
| MolPort-010-475-914 |
0.62 |
CC1N(CC2(CCCC2)C2=CC3=C(OCCO3)C=C12)C(C)=O
|
|
| MolPort-028-592-836 |
0.62 |
CC1=CC=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=C1
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|
| MolPort-028-577-153 |
0.62 |
CC1=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=CC(C)=C1
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|
| MolPort-023-277-859 |
0.62 |
Cl.COC1=CC2=C(CC(C)NC2)C=C1OC
|
|
| MolPort-019-799-892 |
0.62 |
O[C@@H]1CN(CC[C@H]1C1=CC2=C(OCO2)C=C1)C1CC2=CC=CC=C2C1
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| MolPort-009-133-408 |
0.62 |
COC(=O)CC1N(CCCC#N)CCC2=CC(OC)=C(OC)C=C12
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| MolPort-009-465-711 |
0.62 |
O=C(N1CCCC1CC1=CC=CC=C1)C1=CC=C2OCOC2=C1
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|
| MolPort-044-866-227 |
0.62 |
OC(=O)C1CC(NC(=O)CC2=CC=C3OCOC3=C2)C2=CC=CC=C12
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|
| MolPort-045-963-345 |
0.62 |
CCC12CC3CC(O)(C1)CC(C3)(C2)C(=O)N1CCC2=CC(OC)=CC=C2C1
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|
| MolPort-046-490-790 |
0.62 |
COC1=CC(CC(=O)N[C@@H]2[C@H](O)CCC3=CC=CC=C23)=CC=C1O
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|
| MolPort-028-543-744 |
0.62 |
NC(=O)C1=CC=C(C=C1)C(=O)NCC1(CCCCC1)C1=CC=C2OCOC2=C1
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| MolPort-010-018-933 |
0.62 |
COC(=O)CC1N(CCC2=CC(OC)=C(OC)C=C12)C(=O)C1CCCC1
|
|
| MolPort-006-167-629 |
0.62 |
CCN(CC)C(=O)C1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1OC(C)=O
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|
| MolPort-006-543-920 |
0.62 |
CC1=C(CN(CC(O)CC2=CC=CC=C2)CC2=CC=C3OCOC3=C2)C=CC=C1
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|
| MolPort-023-220-751 |
0.62 |
COC1=CC2=C(C[C@H]3C4=CC(O)=C(OC)C=C4CC[N+]3(C)C2)C=C1O
|
|
| MolPort-046-594-389 |
0.62 |
COC1=C(O)C=C2CC3C4=CC(O)=C(OC)C=C4CC[N+]3(C)CC2=C1
|
|
| MolPort-019-811-694 |
0.62 |
CC1=CC=C(CN2CC[C@H]([C@H](O)C2)C2=CC3=C(OCO3)C=C2)C=C1C
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|
| MolPort-005-019-885 |
0.62 |
COC1=CC(CN2CCCC(CO)(CC3=CC(Cl)=CC=C3)C2)=CC2=C1OCO2
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|
| MolPort-002-735-126 |
0.62 |
OC(=O)CC(NC(=O)C1CCCCC1)C1=CC=C2OCOC2=C1
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|
| MolPort-002-734-321 |
0.62 |
OC(=O)CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C1=CC=C2OCOC2=C1
|
|
| MolPort-009-450-792 |
0.62 |
CC(NC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1=CC=C2OCOC2=C1
|
|
| MolPort-039-295-548 |
0.62 |
OC(=O)C1CC1C(=O)N1CCCC1C1=CC=C2OCOC2=C1
|
|
| MolPort-046-764-592 |
0.62 |
Br.COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-000-719-147 |
0.62 |
[Cl-].COC1=C(OC)C=C2C[NH+](CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-009-757-920 |
0.62 |
Cl.COC1=C(OC)C=C2CN(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-020-228-313 |
0.62 |
O[C@H]1[C@H](NC(=O)C2=CC3=C(OCO3)C=C2)C2=C(C=CC=C2)C11CCNCC1
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|
| MolPort-002-747-022 |
0.62 |
CCN1[C@H]([C@@H](CCC1=O)C(O)=O)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-001-913-062 |
0.62 |
CCOC1=C(OC)C=C(C=C1)C(=O)N1CC2=C(C=C(OC)C(OC)=C2)C2(CCCC2)C1
|
|
| MCULE-7385839866 |
0.62 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCC(N(C)C)=O
|
|
| MCULE-5393197448 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C(CC)CN2C(C3C=C(OC)C(=CC=3CC2)OC)C1)C(=O)C1C=CC(=CC=1)OCC(C)C
|
|
| MCULE-9874163715 |
0.62 |
N1(CC2C=CC(=CC=2)Cl)CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)O)O
|
|
| MCULE-4186139670 |
0.62 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1C=CC(=C(C)C=1)O
|
|
| MCULE-4754447105 |
0.62 |
O[C@H]1[C@H](CNC2C3=C(C=CC(=C3)O)CCC2)CCC1
|
|
| MCULE-5555954262 |
0.62 |
COC(CC(N1C(C)C2C=C3C(=CC=2C2(CCCC2)C1)OCCO3)=O)CN
|
|
| MCULE-1224590794 |
0.62 |
COC1C=C2C(C(N(C(C3CCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2666382611 |
0.62 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(CC1(C(=O)O)CCC1)=O)OCCO3
|
|
| MCULE-4116903335 |
0.62 |
N1(CC2C=CC(=CC=2)Cl)CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)O)O
|
|
| MCULE-5814747609 |
0.62 |
C1(CC(O)CCN1)C1C=CC(=C(OC)C=1)OC.Cl
|
|
| MCULE-8781978443 |
0.62 |
CC1(C2=C(C=CC=C2)C(NCC2=C3C(OCO3)=CC=C2)CC1)C
|
|
| MCULE-3396902820 |
0.62 |
C12C(CCCCCCCCCC)NCCC1=CC(O)=C(O)C=2
|
|
| MCULE-3926491748 |
0.62 |
N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
|
|
| MCULE-4185641323 |
0.62 |
OC([C@H]1C[C@@H](C(N2C(C3C=CC4OCOC=4C=3)CCC2)=O)CC1)=O
|
|
| MCULE-2278609963 |
0.62 |
C12C(CCCCCCC)NCCC1=CC(O)=C(O)C=2
|
|
| MCULE-6039807270 |
0.62 |
C12C(CCNC1C(CCCC)CC)=CC(O)=C(O)C=2
|
|
| MCULE-4071678887 |
0.62 |
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-2827032779 |
0.62 |
[C@@H]1(NC(CC2C=CC3=C(OCO3)C=2)=O)C2=CC=CC=C2C2(CCNCC2)[C@H]1OC
|
|
| MCULE-2357916440 |
0.62 |
O[C@@H]1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)CC1
|
|
| MCULE-2051730315 |
0.62 |
CCOCCCC(N1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-6205823716 |
0.62 |
N1(C(N)=N)CC2=C(C3(CCOCC3)C1)C=C(OC)C(OC)=C2
|
|
| MCULE-6879690677 |
0.62 |
COC1C=CC2CC(N(C(C(CN)C)=O)CC=2C=1)C1CCCCC1
|
|
| MCULE-5202547652 |
0.62 |
COC1C=CC2CC(N(C(CCC3CCNCC3)=O)CC=2C=1)C1CCCCC1
|
|
| MCULE-1124367736 |
0.62 |
OC1=CC=C(CC2N(C(C3=CC4=C(OCO4)C=C3)=O)CCCC2)C=C1
|
|
| MCULE-1549075211 |
0.62 |
N1(CC2C=CC=CC=2)C[C@@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-4361313761 |
0.62 |
CCC(N1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-6232072912 |
0.62 |
N1(CC2C=CC=CC=2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8934885171 |
0.62 |
COCCN1C(C2=CC3=C(OCO3)C=C2)CCC1
|
|
| MCULE-3160915430 |
0.62 |
C1(OC)C(OC)=CC(=CC=1OC)CN1CCCC(CO)(CC2C=CC=C(OC)C=2)C1
|
|
| MCULE-4064468293 |
0.62 |
CCOC1=C(OCC)C=C2C(CCN(C2)CC2CCNCC2)=C1
|
|
| MCULE-2153095632 |
0.62 |
COC1=C(OC)C=C(C2N(CCC3OCCC3)CCC2)C=C1
|
|
| MCULE-1035525906 |
0.62 |
C(C1C=CC=CC=1)NCC1(C2C=CC3OCOC=3C=2)CC1
|
|
| MCULE-7232180444 |
0.62 |
N1(C)C(=O)C2=CC=CC=C2C(C(O)=O)C1C1=CC=C2C(OCO2)=C1
|
|
| MCULE-8525390645 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)CC1=CC=CC=C1O
|
|
| MCULE-2790734169 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(=C(OC)C=1)OC)C(C1CCCCC1)=O
|
|
| MCULE-1922057111 |
0.62 |
CCOC1C=C2C(CN(C(C3CCC(C(=O)O)CC3)=O)CC2)=CC=1OCC
|
|
| MCULE-3763860531 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)CC1=CC=CC(=C1)OC1C=CC=CC=1
|
|
| MCULE-6009651977 |
0.62 |
N1C(C2C=CC3=C(OCO3)C=2)C2CCCC(C2=O)C1C1C=CC2=C(OCO2)C=1
|
|
| MCULE-6642357461 |
0.62 |
C1C=CC([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2C=CC(OC)=CC=2)=CC=1
|
|
| MCULE-3957849076 |
0.62 |
C1=CC=CC=C1CN[C@@H]1[C@H](C[C@H]([C@H]1O)O)C1=CC=C(OC)C=C1
|
|
| MCULE-5124333350 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-9140170313 |
0.62 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(C)=O
|
|
| MCULE-3067826267 |
0.62 |
C1(OC)C=C2CCN(C(CC(C)CC(C)(C)C)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-5184619537 |
0.62 |
[C@H]1(CN(C[C@H]1C1C=CC2=C(OCO2)C=1)CC1=CC=CC(CCN)=C1)C(O)=O
|
|
| MCULE-1104606275 |
0.62 |
N1(CC2=CC=CC(C)=C2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-4452698655 |
0.62 |
N1(CC2C=C(C)C=C(C)C=2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3265428350 |
0.62 |
COC1C=C(CNC(CC2C=CC=CC=2)CCC(=O)O)C=C2C=1OCO2
|
|
| MCULE-1876018085 |
0.62 |
COC1C=CC2CC(N(C(C3C4(CCNCC4)C3)=O)CC=2C=1)C1CCCCC1
|
|
| MCULE-5465695382 |
0.62 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)C1CC2C(=CC=CC=2)C1
|
|
| MCULE-2503912597 |
0.62 |
Cl.C12CC(C)(C)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-9171599789 |
0.62 |
C12CNC(C)CC=1C=C(OC)C(OC)=C2.Cl
|
|
| MCULE-9582189710 |
0.62 |
OC(C1C2=C(C=CC=C2)C(NC(CC2=CC3=C(OCO3)C=C2)=O)C1)=O
|
|
| MCULE-7683422931 |
0.62 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1C(C1CCCC1)=O)=O
|
|
| MCULE-6202885781 |
0.62 |
COC1=C(O)C=CC(CC(N[C@H]2C3=C(C=CC=C3)CC[C@H]2O)=O)=C1
|
|
| MCULE-6332114476 |
0.62 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CCCC#N)=O
|
|
| MCULE-8997721834 |
0.62 |
NC(C1=CC=C(C(NCC2(C3=CC4=C(OCO4)C=C3)CCCCC2)=O)C=C1)=O
|
|
| MCULE-8654878308 |
0.62 |
NCC1C=CC(C(NCC2(C3C=CC4OCOC=4C=3)CCCCC2)=O)=CC=1
|
|
| MCULE-1248872909 |
0.62 |
C12(CC3CC(CC)(CC(C3)(O)C1)C2)C(=O)N1CCC2C(=CC=C(OC)C=2)C1
|
|
| MCULE-3827995286 |
0.62 |
O=C(C1=CC2=C(OCO2)C=C1)N1C(CC2=CC=CC=C2)CCC1
|
|
| MCULE-7004790327 |
0.62 |
CC(C1=CC2=C(OCO2)C=C1)NC1CC(C)(C)OC(C)(C)C1
|
|
| MCULE-3373338577 |
0.62 |
N(CC1C=CC=CC=1C)(CC(CC1=CC=CC=C1)O)CC1=CC2OCOC=2C=C1
|
|
| MCULE-5777228804 |
0.62 |
COC1C=C2C(CN(CC2)CC2CNCCC2)=CC=1OC
|
|
| MCULE-8291298220 |
0.62 |
N12CC3=CC(OC)=C(C=C3CC1C1C(CC2)=CC(OC)=C(O)C=1)O
|
|
| MCULE-2870382656 |
0.62 |
C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MCULE-6211989689 |
0.62 |
C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-3629676711 |
0.62 |
CC(=O)OC1CC2N(CCC3C2=CC(OC)=C(OC)C=3)CC1C(=O)N(CC)CC
|
|
| MCULE-3222563125 |
0.62 |
OC(C1C(C(N2C(C3C=CC4OCOC=4C=3)CCC2)=O)C1)=O
|
|
| MCULE-7445284197 |
0.62 |
COC1C=C2C(CN(C([C@H]3C[C@@H](C(=O)O)CC3)=O)CC2)=CC=1OC
|
|
| MCULE-2702903532 |
0.62 |
C12OCOC=1C=C(C(CC(=O)O)NC(C1CCCCC1)=O)C=C2
|
|
| MCULE-4670754256 |
0.62 |
C12OCOC=1C=C(C(CC(=O)O)NC(C13CC4CC(CC(C4)C1)C3)=O)C=C2
|
|
| MCULE-9106999424 |
0.62 |
C12OCOC1=CC(CN1CCCC(CO)(CC3C=CC=C(Cl)C=3)C1)=CC=2OC
|
|
| MCULE-4243966834 |
0.62 |
COC1C=C2C(C(N(C(C3C4OC(CC4)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6666860128 |
0.62 |
Cl.N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
|
|
| MCULE-9284321385 |
0.62 |
CC(C1=CC2=C(OCO2)C=C1)NC(C12CC3CC(C1)(CC(C3)C2)O)=O
|
|
| MCULE-7703044121 |
0.62 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1C=CC(=C(C)C=1)C
|
|
| MCULE-9728594632 |
0.62 |
COC1C=C2C(C(N(C(C3C=CC4OCOC=4C=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7630972635 |
0.62 |
[C@H]1(C2=CC=CC=C2C2(CCNCC2)[C@H]1O)NC(=O)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-7878496708 |
0.62 |
Cl[H].C12C(CCCCCCCCCC)NCCC1=CC(O)=C(O)C=2
|
|
| MCULE-2007923097 |
0.62 |
Cl.C12C(CCNC1C(C)CCCCCCCCC)=CC(O)=C(O)C=2
|
|
| MCULE-1347131725 |
0.62 |
C12C(CCCCCCC)NCCC1=CC(O)=C(O)C=2.Cl[H]
|
|
| MCULE-8947407209 |
0.62 |
C12C=C(OC)C(=CC=1CC(C)(C)NC2C(C)C)OC
|
|
| MCULE-1787371146 |
0.62 |
Cl.C12C(CCNC1C(CCCC)CC)=CC(O)=C(O)C=2
|
|
| MCULE-6370116576 |
0.62 |
N1(CC)C(=O)CC[C@@H](C(O)=O)[C@@H]1C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3984288486 |
0.62 |
COC1C=C2C(C(N(C(C3CC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9422739592 |
0.62 |
N1(CC)C(=O)CCC(C(O)=O)C1C1C=CC2=C(OCO2)C=1
|
|
| MCULE-1278474997 |
0.62 |
N1(CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC)C(=O)C1C=CC(=C(OC)C=1)OCC
|
|
| MCULE-4379718151 |
0.62 |
OC(C1=CC=CC=C1)C1N(C(C2=CC3OCOC=3C=C2)=O)CCCC1
|
|
| MCULE-9569879602 |
0.62 |
N1(CC)C(=O)CC[C@@H](C(O)=O)[C@@H]1C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8607463238 |
0.62 |
CCC(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)CC
|
|
| MCULE-1601984791 |
0.62 |
COC1=C(OC)C=C2C(CCN(C(CC(C)C)=O)C2C2CC2)=C1
|
|
| MCULE-1447250945 |
0.62 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)O)O)C(=O)C1=CC=CC=C1C
|
|
| MCULE-8629115386 |
0.62 |
C12=CC(OCC)=C(OCC3=CC=CC=C3)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-4060727120 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC(N)=O)=C1
|
|
| MCULE-4818309974 |
0.62 |
C1(OC)C=C2CCN(C(CC(C)C)C2=CC=1OCC1C=CC=CC=1)C
|
|
| MCULE-8806107213 |
0.62 |
N1C(CCC1(CCC(=O)NCC1C=CC2=C(OCO2)C=1)CC1=CC=CC=C1)=O
|
|
| MCULE-6323873735 |
0.62 |
N1C(CCC1(CCC(=O)N(CC)CC1=CC=CC=C1)CC1C=CC2=C(OCO2)C=1)=O
|
|
| MCULE-7997305060 |
0.62 |
C(F)(F)(F)C1=CC=CC=C1CC1(CO)CCN(CC1)CC1=CC(OC)=C2C(OCO2)=C1
|
|
| MCULE-6648965789 |
0.62 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C(C)C)C1)C1=CC=CC=C1OC
|
|
| MCULE-3698018759 |
0.62 |
[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-5369053374 |
0.62 |
COC1=C2C(OCO2)=CC(CN[C@@H]2C3=C(C=CC=C3)C[C@@H]2O)=C1
|
|
| MCULE-3172412577 |
0.62 |
N1(CC2=CC(OC)=C3C(OCO3)=C2)C[C@H]2[C@H](C[C@@H]([C@H](O)C2)O)C1
|
|
| MCULE-9195428931 |
0.62 |
COC1C=CC2C(N(C(CC=2C=1)C)CC1CNCCC1)C
|
|
| MCULE-7847173090 |
0.62 |
C1(O)=C(OC)C=C(C=C1OC)CN1CCCC(CO)(CC2=CC=CC=C2C)C1
|
|
| MCULE-6697286399 |
0.62 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(CCCN)=O
|
|
| MCULE-1472761751 |
0.62 |
C12OCOC=1C=CC(C1CCCN1)=C2
|
|
| MCULE-6389804018 |
0.62 |
C12OCOC=1C=CC([C@H]1CCCN1)=C2
|
|
| MCULE-9754624548 |
0.62 |
C12OCOC=1C=CC([C@@H]1CCCN1)=C2
|
|
| MCULE-9323332732 |
0.62 |
COC1C=CC2C(N(C([C@H]3C[C@@H](C(=O)O)CC3)=O)C(CC=2C=1)C)C
|
|
| MCULE-9560731663 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C1(CCCOC1)C1=CC=C(C(OC)=C1)OC
|
|
| MCULE-4001840259 |
0.62 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)OC)O)CC1C=CC=CC=1Cl
|
|
| MCULE-7436942498 |
0.62 |
C12CCCCC1(O)CCNC2C1=CC=C(C(OC)=C1)OCC1C=CC=CC=1
|
|
| MCULE-9953223652 |
0.62 |
C(C(=O)O)(=O)O.C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-1113748311 |
0.62 |
C12(C3C=CC=CC=3)CN3CCN(CC(C3)C1NCC1=C(C)C=C3C(OCO3)=C1)C2
|
|
| MCULE-1672146239 |
0.62 |
O=C(N1C(C2=CC3=C(OCO3)C=C2)CCC1)C1CCCCC1
|
|
| MCULE-8476781691 |
0.62 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1CC(=O)O)OCCO3
|
|
| MCULE-1776991643 |
0.62 |
C12OCOC1=CC=C(C=2)CN1[C@H]([C@@H]([C@](O)(CC1)C)NC(C1CC1)=O)C1C=CC=CC=1
|
|
| MCULE-9377846925 |
0.62 |
COC1=CC2=C(CC(C3=CC=CC=C3)N(C2)CC2CCNCC2)C=C1
|
|
| MCULE-2673032310 |
0.62 |
COC1C=C2C(CN(CC2)CC2(CNCC2)C)=CC=1OC
|
|
| MCULE-1792400916 |
0.62 |
C1(OC)C(OC)=CC2C[NH+](CC3C=C(OC)C(OC)=C(OC)C=3)C(C)(C)CC=2C=1
|
|
| MCULE-8871006959 |
0.62 |
NCCN1C(C2C=CC3OCOC=3C=2)CCC1
|
|
| MCULE-4622431037 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCN(CC1)C
|
|
| MCULE-8438290449 |
0.62 |
O=C(C1C2=C(C=CC=C2)CCC1)NCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-4143793619 |
0.62 |
COC1C=C2C(C(N(C(CC3(OC)CCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6800439479 |
0.62 |
COCCC1(CCC1)CNC1C2=C(C(=CC=C2)OC)CCC1
|
|
| MCULE-8176215382 |
0.62 |
N1(CCCCC1CC(O)=O)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-9169731398 |
0.62 |
N1(CC[C@]2(OC)CC[C@H](OC)C[C@H]12)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-3783439727 |
0.62 |
CCOC1C=C2C(CN(C(C3CC(C(=O)O)CCC3)=O)CC2)=CC=1OCC
|
|
| MCULE-1491644780 |
0.62 |
COC1=C(OC)C=C2C(CCN(C(CC3OCCC3)=O)C2)=C1
|
|
| MCULE-2957619994 |
0.62 |
[H]Cl.CC(=O)OC1CC2N(CCC3C2=CC(OC)=C(OC)C=3)CC1C(=O)N(CC)CC
|
|
| MCULE-9192620462 |
0.62 |
N1(CC(C)CC2=CC=C3C(OCO3)=C2)C[C@@H]2[C@@H](C[C@H]([C@@H](O)C2)O)C1
|
|
| MCULE-5732311573 |
0.62 |
C12C(CC)N(C)CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-1421737175 |
0.62 |
OC(C1CCC(NC2C3C=CC(=CC=3CCC2)OC(F)F)CC1)=O
|
|
| MCULE-5218297674 |
0.62 |
COC1C=CC2C(NCC3(COCC3)O)CCCC=2C=1
|
|
| MCULE-4069179007 |
0.62 |
COC1=C(OC)C=C2C(CCN(C(C3C4C3CCCC4)=O)C2)=C1
|
|
| MCULE-5604342814 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC1CCCC1C
|
|
| MCULE-4208179311 |
0.62 |
COC1C=C2C(C(N(C(CCCC(N(C)C)=O)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2406161948 |
0.62 |
C1(CC(C1)O)C(NC(CC1C=CC2=C(OCO2)C=1)=O)C1=CC=C2C(CCO2)=C1
|
|
| MCULE-9235510274 |
0.62 |
CCNC(CCCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)=O
|
|
| MCULE-1407847664 |
0.62 |
[Cl-].C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MCULE-8800991668 |
0.62 |
C1(CN2CCCC3(CCOCC3)C2)=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-7256042540 |
0.62 |
[Cl-].C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-8212608565 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1=CC(=C(O)C=C1C2)O
|
|
| MCULE-9162219244 |
0.62 |
N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-7120454480 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-3536652377 |
0.62 |
C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-7933946220 |
0.62 |
C1(=O)NC2(CCCC2)CC2=CC(OC)=C(OC)C=C12
|
|
| MCULE-1417082640 |
0.62 |
N1(CC2=CC=CC(F)=C2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-1272419741 |
0.62 |
COC1C=C2C(CN(C(C3C(C(=O)O)C3)=O)CC2)=CC=1OC
|
|
| MCULE-3887124663 |
0.62 |
COC1C=C2C(CN(C([C@H]3C(C)(C)[C@H]3C(=O)O)=O)CC2)=CC=1OC
|
|
| MCULE-7224014975 |
0.62 |
C12(CNCC3=CC=C(OC)C=C13)CC2
|
|
| MCULE-4148647396 |
0.62 |
COC1=CC2=C(CNC3(C2)CC3)C=C1
|
|
| MCULE-7817338812 |
0.62 |
CC(C1C=CC2OCOC=2C=1)NC1CCCCC1
|
|
| MCULE-2694374292 |
0.62 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)O)O)CC1C=CC=CC=1Cl
|
|
| MCULE-2515764303 |
0.62 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)O)O)CC1C=CC=CC=1Cl
|
|
| MCULE-4040016089 |
0.62 |
C(=O)(NCC1(O)CCC2=C(C=CC=C2)C1)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-4267080936 |
0.62 |
N1(CC2C=CC=CC=2)C(=O)CCC(C(O)=O)C1C1C=CC2=C(OCO2)C=1
|
|
| MCULE-7723086246 |
0.62 |
CNCCC(N1C(C2CCCCC2)CC2C=CC(=CC=2C1)OC)=O
|
|
| MCULE-1333003459 |
0.62 |
CC(CCC(N1C(C)C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)C1)=O)N
|
|
| MCULE-6044849399 |
0.62 |
C1(NCCC2(CCCCC12)O)C1C=C(OC)C=C(OC)C=1
|
|
| MCULE-3261394749 |
0.62 |
[I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-1490521339 |
0.62 |
CC(C1C=CC2OCOC=2C=1)NC1CCN(CCC2C=CC=CC=2)CC1
|
|
| MCULE-7447617521 |
0.62 |
C1(OC)C(OC)=CC2C(C(C)C)[NH2+]C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-1759100856 |
0.62 |
N1(CC2C=CC(=CC=2)C)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3341246705 |
0.62 |
O=C([C@H]1[C@H](C2CCOCC2)C1)NC1(C2=CC3=C(OCO3)C=C2)CC1
|
|
| MCULE-3115174815 |
0.62 |
[C@H]1(CN(C[C@H]1C1C=CC2=C(OCO2)C=1)CC1C=CC(=CC=1)CCN)C(O)=O
|
|
| MCULE-3415864364 |
0.62 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(CCCNC(C)=O)=O
|
|
| MCULE-4218503450 |
0.62 |
N1C(C2C=CC3OCOC=3C=2)C(C)C(=O)C(C)C1C1C=CC2OCOC=2C=1
|
|
| MCULE-3335304203 |
0.62 |
C12C(CCNC1C(C)CCCCCCCCC)=CC(O)=C(O)C=2
|
|
| MolPort-002-513-141 |
0.62 |
COC1=CC(CC\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)=CC=C1O
|
|
| MolPort-045-993-684 |
0.62 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC(N)=O)CC2
|
|
| MolPort-045-991-287 |
0.62 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)CC(C)C
|
|
| MolPort-005-163-094 |
0.62 |
COC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC(OC)=C1O
|
|
| MolPort-005-161-628 |
0.62 |
O=C(CCC1(CC2=CC=CC=C2)CCC(=O)N1)NCC1=CC=C2OCOC2=C1
|
|
| MolPort-028-567-234 |
0.62 |
COC1=CC(CN[C@H]2[C@@H](O)CC3=CC=CC=C23)=CC2=C1OCO2
|
|
| MolPort-005-089-589 |
0.62 |
CCN(CC1=CC=CC=C1)C(=O)CCC1(CC2=CC=C3OCOC3=C2)CCC(=O)N1
|
|
| MolPort-005-049-862 |
0.62 |
COC1=C2OCOC2=CC(CN2CCC(CO)(CC3=C(C=CC=C3)C(F)(F)F)CC2)=C1
|
|
| MolPort-035-369-256 |
0.62 |
COC1=C2OCOC2=CC(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)=C1
|
|
| MolPort-002-519-450 |
0.62 |
COC1=C(C=CC=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C1)C(C)C
|
|
| MolPort-002-520-105 |
0.62 |
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-000-147-848 |
0.62 |
C1CNC(C1)C1=CC=C2OCOC2=C1
|
|
| MolPort-002-614-869 |
0.62 |
COC1=C(OC)C=C(C=C1)C1C2CCCCC2(O)CCN1CC1=C(Cl)C=CC=C1
|
|
| MolPort-042-674-664 |
0.62 |
C[C@@]1(O)CCN(CC2=CC=C3OCOC3=C2)[C@H]([C@@H]1NC(=O)C1CC1)C1=CC=CC=C1
|
|
| MolPort-016-584-690 |
0.62 |
COC1=C(OC)C=C(C=C1)C1(CCCOC1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C
|
|
| MolPort-016-586-190 |
0.62 |
COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C1NCCC2(O)CCCCC12
|
|
| MolPort-020-153-396 |
0.62 |
O=C(C1CCCCC1)N1CCCC1C1=CC=C2OCOC2=C1
|
|
| MolPort-045-937-784 |
0.62 |
CC1=C(CNC2C3CN4CC2(CN(C3)CC4)C2=CC=CC=C2)C=C2OCOC2=C1
|
|
| MolPort-041-698-009 |
0.62 |
CC1N(CC(O)=O)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MolPort-003-181-451 |
0.62 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCN(C)CC1
|
|
| MolPort-009-255-678 |
0.62 |
O=C(NCC1=CC=C2OCOC2=C1)C1CCCC2=CC=CC=C12
|
|
| MolPort-042-559-782 |
0.62 |
CO[C@H]1CC[C@]2(CCN(CC3=CC=C4OCOC4=C3)[C@H]2C1)OC
|
|
| MolPort-046-600-619 |
0.62 |
COC1=C(OC)C=C2C(CC(C3=CC=CC=C3)C3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-020-100-945 |
0.62 |
COC1=CC2=C(CN(CC2)C(=O)CC2CCCO2)C=C1OC
|
|
| MolPort-030-044-837 |
0.62 |
CC1=CC2=C(OCO2)C=C1CN1CCCCC1CC(O)=O
|
|
| MolPort-044-864-677 |
0.62 |
COCCC1(CNC2CCCC3=C(OC)C=CC=C23)CCC1
|
|
| MolPort-020-196-051 |
0.62 |
CC(CN1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1)CC1=CC=C2OCOC2=C1
|
|
| MolPort-038-707-712 |
0.62 |
COC1=CC=C2C(CCCC2=C1)NCC1(O)CCOC1
|
|
| MolPort-028-841-983 |
0.62 |
COC1=CC2=C(CN(CC2)C(=O)C2C3CCCCC23)C=C1OC
|
|
| MolPort-027-720-900 |
0.62 |
[Cl-].COC1=CC2=C(C=C1O)[C@@H]1CC3=CC(O)=C(OC)C=C3C[N+]1(C)CC2
|
|
| MolPort-038-397-610 |
0.62 |
OC1CC(C1)C(NC(=O)CC1=CC=C2OCOC2=C1)C1=CC2=C(OCC2)C=C1
|
|
| MolPort-030-061-334 |
0.62 |
CC1=CC2=C(OCO2)C=C1CN1CCCC2(CCOCC2)C1
|
|
| MCULE-7700541184 |
0.62 |
N1(CC2C=CC=CC=2CC1C(=O)NCC1=CC=C2C(OCO2)=C1)CC1=CC=CC=C1O |
|
| MolPort-002-513-109 |
0.62 |
COC1=C2C(C\C(=N\O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-243 |
0.62 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-028-585-672 |
0.62 |
FC1=CC=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=C1
|
|
| MolPort-000-710-934 |
0.62 |
COC1=CC2=C(C=C1OC)C(=O)NC1(CCCC1)C2
|
|
| MolPort-002-713-281 |
0.62 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
|
|
| MolPort-001-757-669 |
0.62 |
OC(=O)C1CCC(=O)N(CC2=CC=CC=C2)C1C1=CC2=C(OCO2)C=C1
|
|
| MolPort-008-322-135 |
0.62 |
COC1=C(O)C=CC(=C1)C1C2CCCCC2(O)CCN1CC1=C(Cl)C=CC=C1
|
|
| MolPort-023-279-310 |
0.62 |
COC1=C(OC)C=C2[C@H](CCC3=CC=C(C=C3)C(F)(F)F)NCCC2=C1
|
|
| MolPort-002-638-837 |
0.62 |
COC1=C(O)C=CC(=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC1=C(Cl)C=CC=C1
|
|
| MolPort-027-843-519 |
0.62 |
OC1(CNC(=O)C2=CC3=C(OCO3)C=C2)CCC2=CC=CC=C2C1
|
|
| MolPort-044-723-129 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C(C)C
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0.62 |
COC1=CC(=CC(OC)=C1)C1NCCC2(O)CCCCC12
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0.62 |
NCCC1=CC=C(CN2C[C@H]([C@@H](C2)C2=CC3=C(OCO3)C=C2)C(O)=O)C=C1
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0.62 |
CC1=CC=C(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=C1
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0.62 |
CC1N(CC2(CCCC2)C2=CC3=C(OCCO3)C=C12)C(=O)CCCNC(C)=O
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0.61 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
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0.61 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CN2CCC1CC2
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0.61 |
O[C@]1(CCN([C@@H]2CCCC[C@H]12)C(=O)C1=CC2=C(OCO2)C=C1)C1=CC=CC=C1
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0.61 |
CC1=CC(CN(CC(O)CC2=CC=CC=C2)CC2=CC=C3OCOC3=C2)=C(C)C=C1
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0.61 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
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0.61 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
COC(=O)CC[C@H]1CN(CC2=CC=C(C=C2)C(F)(F)F)CC[C@H]1N1CCC2=CC(OC)=C(OC)C=C2C1
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0.61 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C2C(CC(=O)C3(C)CCOC3=O)N(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C2C(CC(=O)C3CCOC3=O)N(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)O[C@H]6[C@]45OC3=O)CCC2=C1
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0.61 |
COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
C[N+]12CCC3=C(C1CC1=CC=C4OCOC4=C1C2)C(O)=C1OCOC1=C3
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0.61 |
COC1=C(OC)C=C2CN(CCC2=C1)[C@@H]1CCN(CC2=CC=C(Cl)C=C2)C[C@@H]1CCC(O)=O
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0.61 |
COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=CC2=C1OCO2
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0.61 |
COC1=C(OC)C=C2CN(CCC2=C1)C(=O)C1CCCCC1
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0.61 |
COC1=C(OC)C=C2C(CC(O)=O)NCCC2=C1
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| MolPort-002-514-359 |
0.61 |
CCOC(=O)CC(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-637-742 |
0.61 |
COC1=C(OC)C=C2CN(CCC2=C1)C(=O)CC12CC3CC(CC(C3)C1)C2
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|
| MolPort-004-999-845 |
0.61 |
COC1=CC=C(CN2CCC(CO)(CCCC3=CC=CC=C3)CC2)C=C1OC
|
|
| MolPort-002-513-338 |
0.61 |
COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-902-977 |
0.61 |
COC1=C(OCC2=CC=CC=C2)C=C(C=C1)C1NCCC2(O)CCCCC12
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|
| MolPort-019-810-923 |
0.61 |
O[C@@H]1CN(CC2=C(F)C=CC=C2)CC[C@H]1C1=CC2=C(OCO2)C=C1
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|
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0.61 |
O[C@@H]1CN(CC2=CC=C(C=C2)C#N)CC[C@H]1C1=CC2=C(OCO2)C=C1
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|
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0.61 |
COC1=CC=C(CN(C)[C@H]2[C@H](O)C3(CCNCC3)C3=C2C=CC=C3)C=C1O
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0.61 |
COC1=C(OC)C=C(C=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(N)=O
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0.61 |
COC1=C(OC)C=C(C=C1)[C@H]1C2CCCCC2(O)CCN1CC(N)=O
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0.61 |
COC1=CC=C2CN(CC3CCOC3)CCC2=C1
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0.61 |
COC1=C2C(CC(O)=O)N(C)CCC2=CC2=C1OCO2
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0.61 |
CC1=CC=C(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=C1C
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|
| MolPort-035-372-423 |
0.61 |
COC1=C2OCOC2=CC(CN2CCC(O)(C2)C2=C(C)C=CC=C2)=C1
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CC(C)C1=CC2=C(C=C1)[C@@]1(C)CCC[C@@](C)(CNC(=O)C3=CC4=C(OCO4)C=C3)[C@@H]1CC2
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0.61 |
OCC1(CC2=C(F)C=CC=C2)CCCN(CC2=C3OCOC3=CC=C2)C1
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CC1=CC2=C(OCO2)C=C1CN1C[C@@H]2COCC[C@]2(CO)C1
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NC(=O)C1=CC=CC=C1CC(=O)N1CCCC1C1=CC=C2OCOC2=C1
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0.61 |
COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C(OC)C=C2C(CCN(C)C22CC3=C(C2O)C2=C(OCO2)C=C3)=C1
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COC1=C(C=CC=C1)[C@@H]1CN(CC2=CC3=C(OCO3)C=C2C)C[C@H]1C(O)=O
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0.61 |
COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
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COC(=O)CC1N(CCC2=CC(OC)=C(OC)C=C12)C(=O)C1CCC1
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0.61 |
COC1=CC(F)=C(CN2CC[C@H]([C@H](O)C2)C2=CC3=C(OCO3)C=C2)C=C1
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O=C(CCC1=CC=C2OCOC2=C1)N1CCC2=CC=CC=C2C1
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Cl.COC1=C(OC)C=C2CN(CC(O)COC3CCCC3C)CCC2=C1
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COC1=CC(CN2CCCC(CO)(CC3=CC=CC=C3)C2)=CC=C1O
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0.61 |
COCCCNC(=O)CN1CC2(CCCC2)C2=CC3=C(OCCO3)C=C2C1C
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COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)[C@H](O)C(C)C
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FC1=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=CC(F)=C1
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O=C(CCC1=CC=C2OCOC2=C1)N1CCC(CC1)C(=O)N1CCC2=CC=CC=C2C1
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COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C\C=C\C1=CC=CC=C1)C2
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COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
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COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
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O[C@@H]1CN(CC2=CC=C(F)C=C2)CC[C@H]1C1=CC2=C(OCO2)C=C1
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COC1=C(O)C=CC(=C1)[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(N)=O
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FC(F)OC1=CC=C2C(CCCC2=C1)NC1CCOCC1
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COC1=CC=C(C=C1)[C@H]1[C@@H](C(O)=O)C2=CC=CC=C2C(=O)N1CC1=CC=C2OCOC2=C1
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[I-].COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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C(CC1=CC2=C(OCO2)C=C1)NC1CCC(CC1)C1=CC=CC=C1
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Cl.COC1=CC2=C(CNCC22CC2)C=C1
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COC1=CC=C2CN(CCC2=C1)C(=O)CCC1(CCC(O)=O)CCC(=O)N1
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COC1=CC2=C(C=C1O)C1(CC3=C(C1O)C1=C(OCO1)C=C3)N(C)CC2
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COC1=C(OC)C=C2CN(CC3CC4CC3C=C4)CCC2=C1
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Cl.COC1=CC=C2CNC3(CC3)CC2=C1
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O=C(CCC1=CC=C2OCOC2=C1)NC1CCCC2=C1C=CC=C2
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[I-].COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
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[I-].COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
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| MolPort-009-230-882 |
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BrC1=CC(CNC2CCCC3=CC=CC=C23)=CC2=C1OCO2
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COC1=C(O)C=CC(=C1)[C@H]1C2CCCCC2(O)CCN1CC(N)=O
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OCC1CCCN(CC2=CC=C3OCOC3=C2)C1
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0.61 |
[I-].COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=CC=C2C3C4CCCCC4(O)CCN3C(=O)C2=C1OC
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CCN1[C@H]([C@@H](CC1=O)C(O)=O)C1=CC2=C(OCO2)C=C1
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0.61 |
N#CC1=CC=CC(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)=C1
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COC1=CC2=C(C[C@H]3NCC[C@@]22CC4(CC[C@@]32O)OCCO4)C=C1
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COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C2C(CC(=O)C3(C)CC4=C(CCCC4(C)C)CC3C)N(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)N(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2CN(CCC2=C1)C1CCCN(C1)C(=O)CC1=CC=C2OCOC2=C1
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C(CC(CC1=CC=CC=C1)C1=CC=C2OCOC2=C1)NCC1=CC=C2OCOC2=C1
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0.61 |
COC1=CC=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCC(C)OC(=O)CC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C=C2)C=C1OC
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0.61 |
COC1=C(OC)C=C2C(N(CCC2=C1)C(=O)[C@H]1CCCC[C@H]1C(O)=O)C1=CC=CC=C1
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0.61 |
COC1=CC2=C(C=C1OC)C1C\C(=N\N=C3\CC4N(CCC5=CC(OC)=C(OC)C=C45)CC3CC(C)C)C(CC(C)C)CN1CC2
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0.61 |
OCC1(CCCN(C1)C(=O)C1=CC2=C(OCO2)C=C1O)C1=CC=CC=C1
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0.61 |
OS(O)(=O)=O.COC1=C(OC)C=C2C(CN(CC22CCOCC2)C(N)=N)=C1
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0.61 |
CCOCCN1CCCC1C1=CC=C2OCOC2=C1
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0.61 |
COC1=CC=C(C=C1)C(=O)N1CC2=CC3=C(OCCO3)C=C2C2(CCCC2)C1
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|
| MCULE-1210210850 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
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|
| MCULE-2828110754 |
0.61 |
N1(CC2C=CC=C(C=2)C#N)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
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|
| MCULE-7864145470 |
0.61 |
[C@@H]1(C(O)=O)CC(N(CC)[C@H]1C1C=CC2=C(OCO2)C=1)=O
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|
| MCULE-3044204769 |
0.61 |
C1(N(C)C(=O)CC1C(=O)O)C1C=CC2OCOC=2C=1
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|
| MCULE-3375085862 |
0.61 |
[C@@H]1(C(O)=O)CC(N(CC)[C@H]1C1C=CC2=C(OCO2)C=1)=O
|
|
| MCULE-1395170581 |
0.61 |
N1(CCCC(C1)N1CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)CC1C=CC2=C(OCO2)C=1
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|
| MCULE-6535184409 |
0.61 |
C1(C(O)=O)CC(N(CC)C1C1C=CC2=C(OCO2)C=1)=O
|
|
| MCULE-2441181186 |
0.61 |
C12OCOC1=CC=C(C(CCNCC1=CC=C3C(OCO3)=C1)CC1=CC=CC=C1)C=2
|
|
| MCULE-7784643353 |
0.61 |
COCCCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O
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|
| MCULE-3303576024 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C1=CC=CC=C1)C(=O)[C@@]1([H])CCCC[C@@]1([H])C(O)=O
|
|
| MCULE-7531394094 |
0.61 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC(=NN=C1C(CC(C)C)CN3C(C4C=C(OC)C(=CC=4CC3)OC)C1)C(CC(C)C)C2
|
|
| MCULE-7525141334 |
0.61 |
N1(C(N)=N)CC2=C(C3(CCOCC3)C1)C=C(OC)C(OC)=C2.S(O)(O)(=O)=O
|
|
| MCULE-9356416995 |
0.61 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1C/C(=N/N=C1\C(CC(C)C)CN3C(C4C=C(OC)C(=CC=4CC3)OC)C\1)/C(CC(C)C)C2
|
|
| MCULE-9166291206 |
0.61 |
N(=O)(=O)C1C=CC=C(C(O)CN2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)C=1
|
|
| MCULE-5357517578 |
0.61 |
OCC1(C2=CC=CC=C2)CN(C(C2=C(O)C=C3C(OCO3)=C2)=O)CCC1
|
|
| MCULE-1154621824 |
0.61 |
COC1=CC=C(C(N2CC3(CCCC3)C3=C(C=C4C(=C3)OCCO4)C2)=O)C=C1
|
|
| MCULE-9725914392 |
0.61 |
CC(C1C=CC2OCOC=2C=1)NC1C2C=CC=CC=2C(N)C1
|
|
| MCULE-1117767842 |
0.61 |
COC1=CC2=C(CC(C3=CC=CC=C3)N(C2)CCCC(O)=O)C=C1
|
|
| MCULE-2607636236 |
0.61 |
CCOCCN1C(C2=CC3=C(OCO3)C=C2)CCC1
|
|
| MCULE-4587662284 |
0.61 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1C=CC=C(C=1)C#N
|
|
| MCULE-1281534244 |
0.61 |
NC1C2CC(C(N3C(C4C=CC5OCOC=5C=4)CCC3)=O)CC1CCC2
|
|
| MCULE-8504621037 |
0.61 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C)(C)C1)C1C=CC=CC=1OC
|
|
| MCULE-1656184724 |
0.61 |
C1(C)(C)C(N(C)CCC21OCCO2)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-6135387475 |
0.61 |
Cl.C12=C(CCNC1CC(O)=O)C=C(C(OC)=C2)OC
|
|
| MCULE-5450755634 |
0.61 |
NC1CC(C(N2C(C3=CC4=C(OCO4)C=C3)CCC2)=O)CCC1
|
|
| MCULE-4769063379 |
0.61 |
NCC1(CCCCC1)CC(N1C(C2=CC3=C(OCO3)C=C2)CCC1)=O
|
|
| MCULE-3190702418 |
0.61 |
C(=O)(NC(C)C1C=CC2=C(OCO2)C=1)C1C2CCC(C2)C1C(O)=O
|
|
| MCULE-5403483205 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)CC1CC2CC1CC2
|
|
| MCULE-2099131954 |
0.61 |
C1(=CC=C(C(OC)=C1OC)OC)C1NCCC2(CCCCC12)O
|
|
| MCULE-3433894148 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2746271004 |
0.61 |
COC1C=C2C(OCO2)=CC=1CNC(CC1C=CC=CC=1)CCC(=O)O
|
|
| MCULE-5766652897 |
0.61 |
N1(CCO[C@H](CO)[C@H]1C1=CC=C(C(OC)=C1)OC)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-7543428382 |
0.61 |
CCOC1C=C2C(CN(C(CCCCC(=O)O)=O)CC2)=CC=1OCC
|
|
| MCULE-2476020951 |
0.61 |
FC(C1=CC(C2(C(NCC3=CC4=C(OCO4)C=C3)=O)CCCC2)=CC=C1)(F)F
|
|
| MCULE-7298620109 |
0.61 |
CC(C1=CC2=C(OCO2)C=C1)NC(CN(C1C2=C(C=CC=C2)CCC1)C)=O
|
|
| MCULE-8859532685 |
0.61 |
C1=C(C=CC=C1C(=O)N[C@@H]1[C@H](C[C@H]([C@H]1O)O)C1=CC=CC=C1C)OC
|
|
| MCULE-7310751094 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C1(CCCC1)C1=CC=CC=C1
|
|
| MCULE-4324354091 |
0.61 |
CC(C1C=CC2OCOC=2C=1)NC1C(CN)CCCC1
|
|
| MCULE-8926372975 |
0.61 |
C12C(CC)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-2571152398 |
0.61 |
COC1C=CC(CNC(CCC2C=CC3OCOC=3C=2)C)=CC=1OC
|
|
| MCULE-2069582582 |
0.61 |
C12(CNC(C3=CC=C(OC)C=C13)C)CC2
|
|
| MCULE-2316550511 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)CC1C(=CC=CC=1F)F
|
|
| MCULE-7274821682 |
0.61 |
C(=O)(CC1C=CC2=C(OCO2)C=1)N(C1CCCC1)CC1=CC=CC(=C1)OC1CC2=C(C=CC=C2)C1
|
|
| MCULE-5366850109 |
0.61 |
C1(C(=CC2C(N(C(=S)NC3CCCCC3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
| MCULE-9454496995 |
0.61 |
N1(CC2=CC=C(Br)C=C2)CC2C=C(OC)C(=CC=2CC1(C)C)OC
|
|
| MCULE-1404654898 |
0.61 |
C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-3097747816 |
0.61 |
CC(C(N1C(C)C2C=C3C(=CC=2C2(CCCC2)C1)OCCO3)=O)CN
|
|
| MCULE-5284634233 |
0.61 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(CCC1CCNCC1)=O)OCCO3
|
|
| MCULE-5097903345 |
0.61 |
CC(C(N1CC2(CCCC2)C2=C(C=C3C(=C2)OCCO3)C1)=O)(C#N)C
|
|
| MCULE-1238622299 |
0.61 |
CC1=CC(C(N2CC3(CCCC3)C3=C(C=C4C(=C3)OCCO4)C2)=O)=CC=C1
|
|
| MCULE-5872099721 |
0.61 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(CCN)=O)OCCO3
|
|
| MCULE-2674783794 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1157429162 |
0.61 |
[C@H]12COC(=O)[C@@H]1[C@@H](C1=CC3OCOC=3C=C1[C@H]2NC(CC1C=CC=CC=1)=O)C1=CC(=C(OC)C(OC)=C1)OC
|
|
| MCULE-1934790392 |
0.61 |
CC(C1=CC2=C(OCO2)C=C1)(NC(C[C@H]1[C@H](O)CCC1)=O)C
|
|
| MCULE-7447140118 |
0.61 |
COC1=C2C(C(NC3CCOCC3)CCC2)=CC=C1
|
|
| MCULE-3959424603 |
0.61 |
CCOC1C=C2C(CN(CC2)CCCC(=O)O)=CC=1OCC
|
|
| MCULE-7235884199 |
0.61 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC=CC=C1OC
|
|
| MCULE-8294538257 |
0.61 |
C12C(CCN(C)C1CC(=O)C1(CCNCC1)C1=CC=CC=C1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3734940069 |
0.61 |
COC1C=C2C(CN(C(CCC3NCCC3)=O)CC2)=CC=1OC
|
|
| MCULE-9396260920 |
0.61 |
[C@H]12CN(C[C@H]1[C@H](N[C@]2(CO)C1C=CC=CC=1)C1=CC=C(C(C)=C1C)OC)C
|
|
| MCULE-9291188454 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CCCCC(O)=O)=C1
|
|
| MCULE-3761676740 |
0.61 |
OC(C1C2C=CC=CC=2CN(C(CC2C=CC3OCOC=3C=2)=O)C1)=O
|
|
| MCULE-9716894914 |
0.61 |
N1(CC2=CC=C(C=C2)C#N)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3076358587 |
0.61 |
CC(C1=CC2=C(OCO2)C=C1)NCCC(O)(C)C
|
|
| MCULE-7081682042 |
0.61 |
N1(CC2C=CC3=C(OCO3)C=2)C(=O)CC(C2=CC=CC=C2)(CC(=O)N2CCC3C(=CC=CC=3)C2)C1=O
|
|
| MCULE-6358981468 |
0.61 |
Cl.C12C=C(OC)C(=CC=1CN(CC=CC1C=CC=CC=1)CC12CCOCC1)OC
|
|
| MCULE-9647059048 |
0.61 |
N1(CCCC(CO)(CC2=CC=CC=C2C)C1)CC1=CC=CC(OC)=C1
|
|
| MCULE-2189435103 |
0.61 |
C(F)(F)(F)C1C=CC=C(CC(C)NCC2=CC=C3C(OCO3)=C2)C=1
|
|
| MCULE-6962950713 |
0.61 |
N1(C[C@@H]([C@H](CN2CCCC2)C1)CO)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-9971059122 |
0.61 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(C1C2(CCNCC2)C1)=O)OCCO3
|
|
| MCULE-7436588586 |
0.61 |
COC1C=C2C(C(N(C(C3CCOCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-8621074035 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(CCC3OC(C4OCCO4)CC3)=O)C2)=C1
|
|
| MCULE-3891115950 |
0.61 |
N1(C2CCCNC2)CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-7727974104 |
0.61 |
N1(CCCC2(CCOC2)C1)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-6327986642 |
0.61 |
C1(=CC=CC(OC)=C1O)C1NCCC2(CCCCC12)O.Cl
|
|
| MCULE-3070154615 |
0.61 |
C12=C(CCN(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2530138460 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-5348350150 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2853173462 |
0.61 |
C12=C(CCN(C)C1CC(C(C)C)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-8555009039 |
0.61 |
COCC(C(N1C(C)C2C=C3C(=CC=2C2(CCCC2)C1)OCCO3)=O)N
|
|
| MCULE-6661714244 |
0.61 |
N1(CCCC)C(=O)C2C=CC=CC=2C(C(=O)NCC2C=CC3=C(OCO3)C=2)C21CCCC2
|
|
| MCULE-7932216115 |
0.61 |
O=C(C1(C2=CC=CC=C2)CCCC1)NCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-8310339258 |
0.61 |
N1(CCCC(CO)(CC2=CC=CC=C2C)C1)CC1=CC=C2C(OCCO2)=C1
|
|
| MCULE-8336256885 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC(C(O)C)O)=C1
|
|
| MCULE-1667452497 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7735065775 |
0.61 |
COC1=CC2=C(CCN(C(C3CCC(C(O)=O)CC3)=O)C2)C=C1
|
|
| MCULE-9018722707 |
0.61 |
CNC(CN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-8719628318 |
0.61 |
COC1=CC2=C(C(N(C(CC(CC(O)=O)(C)C)=O)C(C2)C)C)C=C1
|
|
| MCULE-5901157617 |
0.61 |
N1(CC2=CC=CC=C2O)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-6908262867 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(O)=O)CC1C=CC=C(Cl)C=1
|
|
| MCULE-6165279962 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCN(CC1)CCN1C=CC=N1
|
|
| MCULE-5464333929 |
0.61 |
N1(CC2C=CC=C(F)C=2F)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8824661776 |
0.61 |
N1(CC2=CC(F)=CC=C2F)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3349040457 |
0.61 |
CCOC1C=C2C(CN(C(CC3(C(=O)O)CCC3)=O)CC2)=CC=1OCC
|
|
| MCULE-6585729210 |
0.61 |
Cl.N(=O)(=O)C1C=CC=C(C(O)CN2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)C=1
|
|
| MCULE-8046164712 |
0.61 |
C12CCCCC1(O)CCNC2CC1C=CC(=C(OC)C=1)OC
|
|
| MCULE-4582594358 |
0.61 |
C1(=CC=C(C(OC)=C1)OC)C1(CCCC1)CNCC1=CC=C(O)C=C1
|
|
| MCULE-1968844404 |
0.61 |
N1(CCC(CC1)CC1=CC=CC=C1)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-3920167290 |
0.61 |
COC1=CC2=C(CC(N(C(CCN3N=NC=C3)=O)C2)C2CCCCC2)C=C1
|
|
| MCULE-6027009181 |
0.61 |
N1(CCC(C1)C1=CC=C2C(OCO2)=C1)CC1C=CC(=C(C)C=1)C
|
|
| MCULE-4146206923 |
0.61 |
COC1C=CC2C(N(CC3(CNCC3)C)C)CCCC=2C=1
|
|
| MCULE-2724982116 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C(O)=C1)OC)OC
|
|
| MCULE-7667495210 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)[C@]2([H])CC1C=CC(=CC=1)O)OC
|
|
| MCULE-7558810534 |
0.61 |
[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-2591645144 |
0.61 |
COC1C(OC)=CC2=C(CCN([C@@H]2CC2=CC=C(O)C=C2)C)C=1
|
|
| MCULE-7463631898 |
0.61 |
C12C=C(OC)C(=CC=1CC(NC2CC1C=CC=CC=1)(C)C)OC
|
|
| MCULE-5044903349 |
0.61 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-]
|
|
| MCULE-9824379461 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)[C@H]2CC1=CC=C(C(OC)=C1)OC)OC
|
|
| MCULE-1603862294 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(=CC=1)O)OC
|
|
| MCULE-1232528834 |
0.61 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-1703608488 |
0.61 |
C1(OC)C=C2C(CC3=CC(OC)=C(OC)C=C3)N(C)CCC2=CC=1OC
|
|
| MCULE-4012425697 |
0.61 |
C12=C(CCN(C)C1CC(C1=CC=CC=C1)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4718664119 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(O)C=C3C(OCO3)=C2)=C1
|
|
| MCULE-5371671745 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC=CC1
|
|
| MCULE-9390457233 |
0.61 |
CC(C1=CC2=C(OCO2)C=C1)NC(CC(C1CC1)O)=O
|
|
| MCULE-4241103162 |
0.61 |
CCOC1C=C2C(CN(CC2)CC2CNCCC2)=CC=1OCC
|
|
| MCULE-3534954371 |
0.61 |
CC(C1C=CC2OCOC=2C=1)NC(C1CCC(C(=O)O)CC1)=O
|
|
| MCULE-4117572249 |
0.61 |
O1COC2C=C3[C@]4([H])[C@H](O)C(OC)=C[C@]54CCCN5CCC3=CC1=2
|
|
| MCULE-4137138776 |
0.61 |
O[C@@H]1C(=C[C@]23CCCN2CCC2C=C4OCOC4=CC=2[C@]13[H])OC
|
|
| MCULE-3191494754 |
0.61 |
C1(=CC=C(C(OC)=C1OC)OC)C1NCCC2(CCCCC12)O.Cl
|
|
| MCULE-1757879151 |
0.61 |
COC1C=C2C(CN(C(CCCNC3CCCCCC3)=O)CC2)=CC=1OC
|
|
| MCULE-6515132670 |
0.61 |
COC1C=C2C(CN(C(C3CC4C(N)C(CCC4)C3)=O)CC2)=CC=1OC
|
|
| MCULE-3127359118 |
0.61 |
OC1(C(N2C(C3=CC4=C(OCO4)C=C3)CCC2)=O)CC1
|
|
| MCULE-3223811503 |
0.61 |
C(=O)(NCC1(CCOCC1)C1C=CC(=C(OC)C=1)OC)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-6812287036 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC#N)=O
|
|
| MCULE-8372267083 |
0.61 |
OC(CCC(NC(C1C=CC2OCOC=2C=1)=O)CC1C=CC=CC=1)=O
|
|
| MCULE-4592934708 |
0.61 |
C12C=C3OCCOC3=CC=1C1(CNC2C2=CC(OC)=C(C(OC)=C2)OC)CCCC1
|
|
| MCULE-6478521375 |
0.61 |
COC1C=C2C(C(N(C(CCC3C=CC=CC=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-8160938366 |
0.61 |
COC1C=C2C(C(N(C(CC(C3C=CC=CC=3)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5148542802 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6152468952 |
0.61 |
CC(C(C(N1C(C)C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)C1)=O)C)N
|
|
| MCULE-4172303877 |
0.61 |
C12C(CCN(C)C1CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4970124594 |
0.61 |
N1(CC2C=CC3=C(OCO3)C=2)C(=O)CC(C2=CC=CC=C2)(CC(=O)N2CCCCC2CCOC)C1=O
|
|
| MCULE-1805704478 |
0.61 |
COC(CC1C2C=C(C(=CC=2CCN1C(C1CCNCC1)=O)OC)OC)=O
|
|
| MCULE-5237128595 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9653978221 |
0.61 |
C12=C(CCN(C)C1CC(CC1=CC=C(C=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7328862445 |
0.61 |
COC1C=C2C(C(N(C(CC3OCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-4220530900 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1368284170 |
0.61 |
C12=C(CCN(C)C1CC(CC1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4997395082 |
0.61 |
COC1C=CC2C(N(C(C3C(C(=O)O)C3)=O)C(CC=2C=1)C)C
|
|
| MCULE-9946300999 |
0.61 |
N1(CC[C@@]([C@@]2([H])CCCC[C@]21[H])(O)C1=CC=CC=C1)C(=O)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-2628394610 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(O)=O)CC1=CC=C(C=C1)Cl
|
|
| MCULE-5273030406 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)CC1=CC=C(C=C1)C(F)(F)F
|
|
| MCULE-9543303286 |
0.61 |
N1(CCC2C(=CC3=C(C=2)OCO3)C1)C(C)=O
|
|
| MCULE-1774798781 |
0.61 |
C12OCOC1=CC(CN1CCC3=C(C=C(C(OC)=C3)OC)C1)=CC=2OC
|
|
| MCULE-4973985541 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1C2CCN(CC2)C1
|
|
| MCULE-6490313990 |
0.61 |
N(CC1=CC(C)=CC=C1C)(CC(CC1=CC=CC=C1)O)CC1=CC2OCOC=2C=C1
|
|
| MCULE-6507819674 |
0.61 |
CCCNC(CCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)=O
|
|
| MCULE-7672377741 |
0.61 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC=CC=C1F
|
|
| MCULE-7567637341 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(C1CCCCC1)=O
|
|
| MCULE-2467752778 |
0.61 |
C12CCCCC1(O)CCNC2C1=CC=C(C(OCC2C=CC=CC=2)=C1)OC
|
|
| MCULE-7168964137 |
0.61 |
N1(CC2=CC=C(C=C2)C#N)CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-3536188412 |
0.61 |
C12(CCNCC1)C1=CC=CC=C1[C@@H](N(C)CC1C=CC(=C(O)C=1)OC)[C@@H]2O
|
|
| MCULE-3290775277 |
0.61 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)OC)O)CC(N)=O
|
|
| MCULE-4052049756 |
0.61 |
C12C(CCNC1CC(O)=O)=CC(=C(OC)C=2)OC
|
|
| MCULE-6212681203 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(CC34CC5CC(C3)CC(C5)C4)=O)C2)=C1
|
|
| MCULE-4458256456 |
0.61 |
Cl.C12OCOC1=CC=C([C@@H]1CCCN1)C=2
|
|
| MCULE-2663190071 |
0.61 |
Cl.C12OCOC1=CC=C([C@H]1CCCN1)C=2
|
|
| MCULE-3943715815 |
0.61 |
N1(CCC(CC1)(CCCC1=CC=CC=C1)CO)CC1=CC=C(C(OC)=C1)OC
|
|
| MCULE-3155563993 |
0.61 |
C12=C(CCN(C)C1CC(=O)CC(OCC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3205404587 |
0.61 |
C12=C(CCN(C)C1CC(O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2366380084 |
0.61 |
COC1C=C2C(C(N(C(C(C3CCOCC3)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-4445092453 |
0.61 |
COC1C=C2C(C(N(C(CC3CCOCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7161765036 |
0.61 |
C1(=CC=CC2OCOC1=2)CN1CCCC(CO)(CC2=CC=CC=C2F)C1
|
|
| MCULE-2489132875 |
0.61 |
C1(O)(CCN(CC2=CC(OC)=C3C(OCO3)=C2)C1)C1C=CC=CC=1C
|
|
| MCULE-9918029739 |
0.61 |
N1(CC2C=CC(=C(C)C=2)C)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-5226488076 |
0.61 |
C12CN(CCC(C)=O)CC(O)C1=CC1OCOC=1C=2
|
|
| MCULE-3022672786 |
0.61 |
[C@]12(C)CCC[C@@](C)(CNC(=O)C3C=CC4=C(OCO4)C=3)[C@@H]1CCC1C=C(C(C)C)C=CC2=1
|
|
| MCULE-8168379309 |
0.61 |
C1([C@@H]2CCCN2)=CC(OC)=CC2CCCCC1=2
|
|
| MCULE-8571776601 |
0.61 |
N1(CCC2C(=CC=C(OC)C=2)C1)CC1CCOC1
|
|
| MCULE-2429423856 |
0.61 |
C1([C@H]2CCCN2)=CC(OC)=CC2CCCCC1=2
|
|
| MCULE-2039468423 |
0.61 |
[Cl-].C1(OC)C(OC)=CC2C[NH+](CC3C=C(OC)C(OC)=C(OC)C=3)C(C)(C)CC=2C=1
|
|
| MCULE-8224463524 |
0.61 |
C12=C(CCN(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3755442995 |
0.61 |
C1(O)C2(N(C)CCC3C2=CC(OC)=C(OC)C=3)CC2C=CC3OCOC=3C1=2
|
|
| MCULE-2984419568 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6178904114 |
0.61 |
COC1C=C2C(C(N(C(CC3OCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9077765658 |
0.61 |
CCC(C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O)C
|
|
| MCULE-7842539313 |
0.61 |
NC(C1=C(CC(N2C(C3=CC4=C(OCO4)C=C3)CCC2)=O)C=CC=C1)=O
|
|
| MCULE-5772645872 |
0.61 |
COC1C=C2C(C(N(C(CC(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9016297589 |
0.61 |
CCCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O
|
|
| MCULE-8574760166 |
0.61 |
[C@H]1(CN(C[C@H]1C1C=CC=CC=1OC)CC1=C(C)C=C2C(OCO2)=C1)C(O)=O
|
|
| MCULE-9367636350 |
0.61 |
COC1C=C2C(C(N(C(C(C(C)C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2494585449 |
0.61 |
COC1C=C2C(C(N(C(CC(C)(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-2481834529 |
0.61 |
N1(C[C@H]2[C@@](CCOC2)(CO)C1)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-1575749606 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1C(C1CCC1)=O)=O
|
|
| MCULE-6014918898 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(CC3(CCCCC3)CN)=O)C2)=C1
|
|
| MCULE-1337159748 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC1CCCC1C.Cl
|
|
| MCULE-7006082575 |
0.61 |
O=C(N1CC2=C(C=CC=C2)CC1)CCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-8671143585 |
0.61 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)CC1=CC=C(C=C1F)OC
|
|
| MCULE-3453004615 |
0.61 |
COCCCNC(CN1C(C)C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)C1)=O
|
|
| MCULE-9723343367 |
0.61 |
[Cl-].[NH+]1(C)CCC2C(=CC(=C(OC)C=2)O)C1CC
|
|
| MCULE-6593364826 |
0.61 |
COC1C=CC2C(N(CC3CCNCC3)C)CCCC=2C=1
|
|
| MCULE-1512069113 |
0.61 |
N1(CCCC(CO)(CC2C=CC=CC=2)C1)CC1=CC=C(C(OC)=C1)O
|
|
| MCULE-4277460525 |
0.61 |
COCC1(C(N2CC3C=C(C(=CC=3CC2)OC)OC)=O)CCNCC1
|
|
| MCULE-1193840655 |
0.61 |
N1(CC2C=C(F)C=C(F)C=2)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-4221753312 |
0.61 |
O=C(N1CCC(C(N2CC3=C(C=CC=C3)CC2)=O)CC1)CCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-5542313374 |
0.61 |
[H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-3431736027 |
0.61 |
COC1=C(OC)C=C2C(CCN(C([C@@H](C(C)C)O)=O)C2C2CC2)=C1
|
|
| MCULE-5378067825 |
0.61 |
C1(=CC=CC(OC)=C1O)C1NCCC2(CCCCC12)O
|
|
| MCULE-5600894184 |
0.61 |
Cl.N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-1500194980 |
0.61 |
C12C=C(OC)C(=CC=1CN(CC=CC1C=CC=CC=1)CC12CCOCC1)OC
|
|
| MCULE-9790002195 |
0.61 |
COC1C=C2C(C(N(C(CCC3C=CC=C(C)C=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7748293280 |
0.61 |
N1(CC2C=CC(=CC=2)F)CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-3790648341 |
0.61 |
COC1=CC2=C(CCN(C(C3CC4CC(CC(C4)O)C3)=O)C2)C=C1
|
|
| MCULE-1938191314 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CC2CC1C=C2
|
|
| MCULE-5008511359 |
0.61 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C(C(OC)=C1)O)O)CC(N)=O
|
|
| MCULE-4184428815 |
0.61 |
FC(OC1=CC2=C(C(NC3CCOCC3)CCC2)C=C1)F
|
|
| MCULE-7363860514 |
0.61 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(CCC1CNCC1)=O)OCCO3
|
|
| MCULE-4620114037 |
0.61 |
N12CCC3(C(CCCC3)C1C1=C(C(OC)=C(C=C1)OC)C2=O)O
|
|
| MCULE-2441951515 |
0.61 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(C1CCNCC1)=O)OCCO3
|
|
| MCULE-2024808790 |
0.61 |
C12C(O)C3(N(C)CCC4C=C(OC)C(O)=CC3=4)CC=1C=CC1OCOC=12
|
|
| MCULE-2075502464 |
0.61 |
Cl.COC1=CC2=C(CNCC32CC3)C=C1
|
|
| MCULE-8690392928 |
0.61 |
COC1=CC=C([C@@H]2N(CC3=CC4=C(OCO4)C=C3)C(=O)C3=C(C=CC=C3)[C@@H]2C(O)=O)C=C1
|
|
| MCULE-8629288660 |
0.61 |
C12=CC(CCNC3CCC(CC3)C3C=CC=CC=3)=CC=C1OCO2
|
|
| MCULE-4636629272 |
0.61 |
CC(C1C=CC2OCOC=2C=1)NC1CCC(N)CC1
|
|
| MCULE-6262377897 |
0.61 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3399243515 |
0.61 |
N(C(CCC1C=CC2=C(OCO2)C=1)=O)C1CCCC2C=CC=CC1=2
|
|
| MCULE-2653980479 |
0.61 |
Cl.COC1=CC2=C(CNC3(C2)CC3)C=C1
|
|
| MCULE-8473723087 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4135055702 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2252449891 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6416633628 |
0.61 |
N1(CCC2C(=CC=C(OC)C=2)C1)C(CCC1(CCC(=O)N1)CCC(O)=O)=O
|
|
| MCULE-4111296941 |
0.61 |
BrC1=C2C(OCO2)=CC(CNC2C3=C(C=CC=C3)CCC2)=C1
|
|
| MCULE-9195278965 |
0.61 |
N1(CCCC(CO)C1)CC1C=CC2=C(OCO2)C=1
|
|
| MolPort-019-823-149 |
0.61 |
O[C@@H]1CN(CC2=CC(=CC=C2)C#N)CC[C@H]1C1=CC2=C(OCO2)C=C1
|
|
| MolPort-008-600-589 |
0.61 |
Cl.COC1=C(OC)C=C2C(CC(O)=O)NCCC2=C1
|
|
| MolPort-002-647-107 |
0.61 |
COC1=C(OC)C=C2CN(CCC2=C1)C(=O)CC1CC2CCC1C2
|
|
| MolPort-002-849-285 |
0.61 |
COC1=CC(=CC(OC)=C1OC)C1N(C)CCC2(OCCO2)C1(C)C
|
|
| MolPort-039-233-191 |
0.61 |
NC1CCCC(C1)C(=O)N1CCCC1C1=CC=C2OCOC2=C1
|
|
| MolPort-039-056-252 |
0.61 |
COC1=C(OC)C=C2CN(CCC2=C1)C(=O)CC1C[C@H]2CC[C@@H]1C2
|
|
| MolPort-002-849-283 |
0.61 |
COC1=CC(=CC(OC)=C1OC)C1NCCC2(OCCO2)C1(C)C
|
|
| MolPort-000-703-264 |
0.61 |
[I-].COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-209 |
0.61 |
COC1=C(C=CC=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
|
|
| MolPort-001-969-164 |
0.61 |
COC1=C(OC)C(OC)=C(C=C1)C1NCCC2(O)CCCCC12
|
|
| MolPort-008-294-765 |
0.61 |
CC(NC(=O)C1C2CCC(C2)C1C(O)=O)C1=CC=C2OCOC2=C1
|
|
| MolPort-023-274-482 |
0.61 |
COC1=CC=CC(=C1)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1C1=CC=CC=C1C
|
|
| MolPort-039-102-784 |
0.61 |
COC(=O)CC[C@H]1CN(CC2=C(F)C=CC=C2F)CC[C@H]1N1CCC2=CC(OC)=C(OC)C=C2C1
|
|
| MolPort-009-146-416 |
0.61 |
FC(F)(F)C1=CC=CC(=C1)C1(CCCC1)C(=O)NCC1=CC=C2OCOC2=C1
|
|
| MolPort-005-113-224 |
0.61 |
O=C(CC1=CC=C2OCOC2=C1)N(CC1=CC(OC2CC3=CC=CC=C3C2)=CC=C1)C1CCCC1
|
|
| MolPort-009-215-096 |
0.61 |
CC(NC(=O)CN(C)C1CCCC2=CC=CC=C12)C1=CC=C2OCOC2=C1
|
|
| MolPort-001-896-284 |
0.61 |
COC1=C(OC)C=C2C(C)N(CCC2=C1)C(=O)C1(CCCC1)C1=CC=CC=C1
|
|
| MolPort-046-515-263 |
0.61 |
COC1=C(OC)C=C(C=C1)[C@@H]1[C@@H](CO)OCCN1CC1=CC2=C(OCO2)C=C1C
|
|
| MolPort-001-680-930 |
0.61 |
COC1=CC2=C(CC(C)(C)N(CC3=CC=C(Br)C=C3)C2)C=C1OC
|
|
| MolPort-027-942-153 |
0.61 |
CC(C)(C#N)C(=O)N1CC2=CC3=C(OCCO3)C=C2C2(CCCC2)C1
|
|
| MolPort-044-864-668 |
0.61 |
COC1=CC=CC2=C1CCCC2NC1CCOCC1
|
|
| MolPort-019-820-977 |
0.61 |
COC1=C(CN2CC[C@H]([C@H](O)C2)C2=CC3=C(OCO3)C=C2)C=CC=C1
|
|
| MolPort-005-633-966 |
0.61 |
CC1=CC=CC(=C1)C(=O)N1CC2=CC3=C(OCCO3)C=C2C2(CCCC2)C1
|
|
| MolPort-000-797-380 |
0.61 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-180-872 |
0.61 |
COC1=C2C(CC(=O)C3(CCNCC3)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-610-192 |
0.61 |
COC1=C(C)C(C)=C(C=C1)[C@H]1N[C@@](CO)([C@H]2CN(C)C[C@@H]12)C1=CC=CC=C1
|
|
| MolPort-003-180-072 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C\C=C\C1=CC=CC=C1)C2
|
|
| MolPort-028-595-477 |
0.61 |
N#CC1=CC=C(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-028-788-480 |
0.61 |
CC(NCCC(C)(C)O)C1=CC=C2OCOC2=C1
|
|
| MolPort-027-828-064 |
0.61 |
CC1=CC2=C(OCO2)C=C1CN1C[C@H](CO)[C@H](CN2CCCC2)C1
|
|
| MolPort-005-052-017 |
0.61 |
COC1=CC=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=C1
|
|
| MolPort-045-902-514 |
0.61 |
CC(CC1=CC=CC(=C1)C(F)(F)F)NCC1=CC=C2OCOC2=C1
|
|
| MolPort-041-610-079 |
0.61 |
OC(=O)C1CN(CC2=CC=CC=C12)C(=O)CC1=CC=C2OCOC2=C1
|
|
| MolPort-000-742-915 |
0.61 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCOCC1)C[NH+](C\C=C\C1=CC=CC=C1)C2
|
|
| MolPort-005-087-505 |
0.61 |
O=C(CC1(CC(=O)N(CC2=CC=C3OCOC3=C2)C1=O)C1=CC=CC=C1)N1CCC2=CC=CC=C2C1
|
|
| MolPort-012-628-550 |
0.61 |
COC1=CC2=C(CN(CC2)C2CCCNC2)C=C1OC
|
|
| MolPort-000-722-566 |
0.61 |
[I-].COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| 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
|
|
| MolPort-002-513-262 |
0.61 |
COC1=C2C(C\C(=N\O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-583-715 |
0.61 |
Cl.COC1=CC=CC(C2NCCC3(O)CCCCC23)=C1O
|
|
| MolPort-028-590-591 |
0.61 |
C(N1CCCC2(CCOC2)C1)C1=CC=C2OCOC2=C1
|
|
| MolPort-028-913-747 |
0.61 |
CCCCN1C(=O)C2=C(C=CC=C2)C(C(=O)NCC2=CC=C3OCOC3=C2)C11CCCC1
|
|
| MolPort-002-513-263 |
0.61 |
COC1=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=CC=C1
|
|
| MolPort-002-000-208 |
0.61 |
O=C(NCC1=CC=C2OCOC2=C1)C1(CCCC1)C1=CC=CC=C1
|
|
| MolPort-028-579-546 |
0.61 |
OC1=C(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=CC=C1
|
|
| MolPort-044-806-057 |
0.61 |
COC1=CC=C2C(C)N(C(C)CC2=C1)C(=O)CC(C)(C)CC(O)=O
|
|
| MolPort-002-097-003 |
0.61 |
O=C(NC1CCCC2=C1C=CC=C2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-045-993-687 |
0.61 |
CNC(=O)CN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-005-116-912 |
0.61 |
CC1=C(CC2(CO)CCCN(CC3=CC=C4OCCOC4=C3)C2)C=CC=C1
|
|
| MolPort-000-713-716 |
0.61 |
[I-].COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
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OC(=O)C1C(N(CCCCl)C(=O)C2=C1C=CC=C2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-901-472 |
0.60 |
COC1=C(OC)C=C2C(C)N(CCC2=C1)C(=O)CC(C)(C)CC(O)=O
|
|
| MolPort-009-209-882 |
0.60 |
COC(=O)CC1N(CC2=CC=C(F)C=C2)CCC2=CC(OC)=C(OC)C=C12
|
|
| MCULE-4210369012 |
0.60 |
N1(C[C@H]2[C@H]([C@H]3O[C@@H]2CC3)C1)C(=O)C(N(C)C)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-4424541265 |
0.60 |
C12C(CCN(C)C1CC(C(C/C=C(/C)\C)C/C=C(\C)/C)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4265982499 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(CC3=CC4=C(CCCC4)C=C3)=O)C2)=C1
|
|
| MCULE-5238214472 |
0.60 |
CC(C1CCNCC1)CC(N1C(C2C=CC3OCOC=3C=2)CCC1)=O
|
|
| MCULE-2851671546 |
0.60 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC1=CC=C(F)C=C1)=O
|
|
| MCULE-9565437688 |
0.60 |
COCC(CN1C(C2=CC=CC=C2)CC2=C(C=C(C=C2)OC)C1)O
|
|
| MCULE-5433865476 |
0.60 |
OCC1(CC1)CNC1C2=C(C=C3C(=C2)OCCO3)CC1
|
|
| MCULE-6906872445 |
0.60 |
CC(NC(C1C=CC2OCOC=2C=1)C)CC1NCCCCC1
|
|
| MCULE-3268275525 |
0.60 |
C(N1CCC(NCC2C=CC3OCOC=3C=2)CC1)CC1C=CC=CC=1
|
|
| MCULE-6734556981 |
0.60 |
C12OCOC1=CC=C(C=2)CN1[C@H]([C@@H]([C@](O)(CC1)C)NC(C1CCCC1)=O)C1C=CC=CC=1
|
|
| MCULE-5339754251 |
0.60 |
O=C(N1C(C2C=CC3OCOC=3C=2)CCC1)CCC1CCNCC1
|
|
| MCULE-9986843558 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(CCC3=C(C)C=C(C)C=C3)=O)C2CC(O)=O)=C1
|
|
| MCULE-1751590792 |
0.60 |
C1(CCCN(C(=O)C2C=CC3=C(OCO3)C=2)C1)(CC1=CC=CC=C1C)C(O)=O
|
|
| MCULE-7522980832 |
0.60 |
C1(CC(=O)NCC2C=CC3=C(OCO3)C=2)(C2=CC=CC=C2C)CC(N(CCCOC)C1=O)=O
|
|
| MCULE-2412164178 |
0.60 |
COC1C=C2C(C(N(C(CCCOC(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-8250750888 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(CN)=O
|
|
| MCULE-7788037544 |
0.60 |
COC1C=CC=C(C2(C(N3CC4C=CC=CC=4C(C(=O)O)C3)=O)CCCC2)C=1
|
|
| MCULE-9561647271 |
0.60 |
OC(COCC1=CC2=C(OCO2)C=C1)CNC1C2=C(C=CC=C2)CCC1
|
|
| MCULE-4587109212 |
0.60 |
O=C(C1=CC2=C(OCO2)C=C1)NCC1(C2=CC3=C(OCCO3)C=C2)CCCC1
|
|
| MCULE-8182438378 |
0.60 |
OC(C(O)=O)=O.CC(C(NC1C2=C(C=CC=C2)CCC1)=O)NCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-5090385271 |
0.60 |
Cl.Cl.C(O)(CC1C=CC=CC=1)(C1=CC=C(C=C1)OCCCC)C(C1C=CC=CC=1)CN1CCN(CC1)CC1=CC=C2C(OCO2)=C1
|
|
| MCULE-9546464408 |
0.60 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)C(=O)C1C=CC=CC=1C#N
|
|
| MCULE-3091982334 |
0.60 |
OCC1(C2=CC=CC=C2)CN(C(C2=C3C(OCO3)=CC=C2)=O)CCC1
|
|
| MCULE-4704012261 |
0.60 |
N1(CC2C=CC(=CC=2)F)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-9149932406 |
0.60 |
[C@H]1(CN(C[C@H]1C1C=CC2=C(OCO2)C=1)CC1=CC=C(C=C1OC)C)C(O)=O
|
|
| MCULE-2357696524 |
0.60 |
CCCNC(CN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-3604248278 |
0.60 |
CC(C(NCC1=CC2=C(OCO2)C=C1)=O)NC1C2=C(C=CC=C2)CCC1
|
|
| MCULE-4882785276 |
0.60 |
CCOC1=C(OCC)C=C2C(CCN(C(CC3(CCCCC3)CN)=O)C2)=C1
|
|
| MCULE-8182857127 |
0.60 |
O=C(N1C(C2C=CC3OCOC=3C=2)CCC1)C1C2(CCNCC2)C1
|
|
| MCULE-4545768009 |
0.60 |
C12CN(C)CC(O)C1=CC1OCOC=1C=2C
|
|
| MCULE-2445460043 |
0.60 |
COC1C=C2C(CN(C(CCC3CNCC3)=O)CC2)=CC=1OC
|
|
| MCULE-4041583159 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(CCC(O)=O)=O
|
|
| MCULE-3753523968 |
0.60 |
CC(C1CNCCC1)CC(N1C(C2C=CC3OCOC=3C=2)CCC1)=O
|
|
| MCULE-8997350986 |
0.60 |
O[C@H]1[C@H](CC(N2CC3(CC3)C3=C(C=CC(=C3)O)C2)=O)CCC1
|
|
| MCULE-4747009742 |
0.60 |
COCCC(C(N1CC2(CC2)C2=C(C=CC(=C2)OC)C1)=O)(C)C
|
|
| MCULE-7312712365 |
0.60 |
N1(CCCC(CCCC2=CC=CC=C2)(CO)C1)CC1=CC=C2C(OCCO2)=C1
|
|
| MCULE-6947578451 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC(C)(C)CC
|
|
| MCULE-1428017179 |
0.60 |
C12C=C(OC)C(=CC=1CC(NC2C1=CC=CC=C1)(CC)CC)OC
|
|
| MCULE-1479374296 |
0.60 |
C1(=CC=CC(OC)=C1OC)C1NCCC2(CCCCC12)O
|
|
| MCULE-4971234363 |
0.60 |
CC(NCCCN1C(C2=CC3=C(OCO3)C=C2)CCC1)=O
|
|
| MCULE-9905115017 |
0.60 |
COC1=CC=C([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2=CC=CC(C(F)(F)F)=C2)C=C1
|
|
| MCULE-9736410761 |
0.60 |
COCCC(NCC1(C2=CC3=C(OCO3)C=C2)CCOCC1)C
|
|
| MCULE-9947061888 |
0.60 |
CC(NC(C1C=CC=CC=1)CO)CCC1C=CC2OCOC=2C=1
|
|
| MCULE-1639953145 |
0.60 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C=C1)OC)O)CC1C=CC=C(F)C=1
|
|
| MCULE-3775135762 |
0.60 |
C12=CC(=C(O)C=C1CCN(C)C2CC1=CC=C(OC)C(OC)=C1)O
|
|
| MCULE-7724003342 |
0.60 |
C1(C)=C(C)C(OC)=CC=C1CN1CCCC(CO)(CC2C=CC=CC=2)C1
|
|
| MCULE-8660692709 |
0.60 |
COCC(CNCC1(C2=CC3=C(OCO3)C=C2)CCOCC1)C
|
|
| MCULE-5650743940 |
0.60 |
Cl.C12CCCCC1(O)CCNC2C1C=CC(=CC=1)OC
|
|
| MCULE-9049689640 |
0.60 |
C1(=CC=C(C(OC)=C1)OC)C1(CCCC1)CNCC1=CC=CC=C1
|
|
| MCULE-9835143860 |
0.60 |
C1(=CC=C(C(OC)=C1)OC)C1CCCCCN1
|
|
| MCULE-8716305606 |
0.60 |
COC1C=CC2CCN(CC=2C=1)CC1CCNCC1
|
|
| MCULE-6306508633 |
0.60 |
FC1=CC=C(C(N2CC3(CCCC3)C3=C(C=C4C(=C3)OCCO4)C2)=O)C=C1
|
|
| MCULE-8731730167 |
0.60 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O)CC(=O)NC1C=CC=CC=1
|
|
| MCULE-8757307766 |
0.60 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)CC2=O
|
|
| MCULE-4388066864 |
0.60 |
COC1C=C2C(C(N(C(CCC3C=CC(C)=CC=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7551574525 |
0.60 |
COC1=C(OC)C=C(C[C@H]2[N@+](CCC(OCCCCCOC(CC[N@@+]3([C@H](CC4=CC(OC)=C(OC)C=C4)C4=C(C=C(C(=C4)OC)OC)CC3)C)=O)=O)(C)CCC3=C2C=C(C(=C3)OC)OC)C=C1
|
|
| MCULE-2740137066 |
0.60 |
O=C(CC[N@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=CC=1)OC)OC)C)OCCCCCOC(=O)CC[N@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=CC=1)OC)OC)C
|
|
| MCULE-2866746125 |
0.60 |
COC1C=CC(CC2[N+](CCC(OCCCCCOC(CC[N+]3(C(CC4C=CC(OC)=C(OC)C=4)C4C(=CC(=C(C=4)OC)OC)CC3)C)=O)=O)(C)CCC3C2=CC(=C(C=3)OC)OC)=CC=1OC
|
|
| MCULE-6632287845 |
0.60 |
CC(C(NC1C2=C(C=CC=C2)CCC1)=O)NCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-5722892726 |
0.60 |
O(C)C1=C(C=C2CC[N@@+](C)(CCC(=O)OCCCCCOC(CC[N@+]3(C)CCC4=CC(=C(C=C4[C@H]3CC3=CC=C(C(=C3)OC)OC)OC)OC)=O)[C@H](CC3=CC=C(C(=C3)OC)OC)C2=C1)OC
|
|
| MCULE-6343088033 |
0.60 |
COC1C=CC2C(N(C(CCC(=O)O)=O)C(CC=2C=1)C)C
|
|
| MCULE-9215409960 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(CC3CC4NC(CC4)C3)=O)C2)=C1
|
|
| MCULE-5097979114 |
0.60 |
CCCC(C(N1CC2(CC2)C2=C(C=CC(=C2)OC)C1)=O)O
|
|
| MCULE-4966087308 |
0.60 |
COC1C=C2C(CN(C(C3C(N)(C)CCCC3)=O)CC2)=CC=1OC
|
|
| MCULE-7057608747 |
0.60 |
N1(CCC2(C(CCCC2)C1C1C=C(OC)C(=C(OC)C=1)OC)O)CC(N)=O
|
|
| MCULE-2814552312 |
0.60 |
Cl.COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1)=O
|
|
| MCULE-4340167230 |
0.60 |
COC1C=C2C(CN(C(C3(C(=O)O)CC3)=O)CC2)=CC=1OC
|
|
| MCULE-7580875405 |
0.60 |
COC1=CC2=C(CC(C3=CC=CC=C3)N(C([C@@H]3C[C@H](O)C3)=O)C2)C=C1
|
|
| MCULE-3919514287 |
0.60 |
COC1=CC2=C(CN(C(C(C3CC3)O)=O)CC32CC3)C=C1
|
|
| MCULE-3824150490 |
0.60 |
Cl.C1(=CC(OC)=C(C=C1OC)OC)C1NCCC2(CCCCC12)O
|
|
| MCULE-2986087983 |
0.60 |
COCC1(C(NCC2(C3C=CC4OCOC=4C=3)CCCCC2)=O)CCNCC1
|
|
| MCULE-9882790263 |
0.60 |
Cl.OC(CN1C(C2C=CC3OCOC=3C=2)CCC1)=O
|
|
| MCULE-4643054566 |
0.60 |
OC(CCC(NCC1(C2C=CC3OCOC=3C=2)CCCCC1)=O)=O
|
|
| MCULE-6030959735 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C3C(C)C3)=O)C2)=C1
|
|
| MCULE-5582482065 |
0.60 |
C12CN(C)CC(O)C1=CC1OCOC=1C=2.Cl
|
|
| MCULE-8861857082 |
0.60 |
N1(C[C@H]2[C@H](C[C@@H]([C@H](O)C2)O)C1)C(=O)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-1266612120 |
0.60 |
C12OCOC1=CC(=CC=2)CCNC(=O)C1C=CC=CC=1CCO
|
|
| MCULE-6852566251 |
0.60 |
C1C2C=C(OC)C(OC)=CC=2C2NC1C1C=C(OC)C(OC)=CC=1C2.Cl
|
|
| MCULE-7478438445 |
0.60 |
C12C=CC=CC=1CCCC2NCC1=CC=C(C(OC)=C1)OC.C(C(=O)O)(=O)O
|
|
| MCULE-2882025020 |
0.60 |
COC(OC)CN(C1C2C=CC(=CC=2CCC1)OC)C
|
|
| MCULE-7440334486 |
0.60 |
C1(C=CC=C(OC)C=1OC)CN1CCCC(CO)(CC2C=CC=C(OC)C=2)C1
|
|
| MCULE-3530856335 |
0.60 |
[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CCC(O)=O
|
|
| MCULE-3835453822 |
0.60 |
N1(CCCOC2=CC=C3C(CCC3)=C2)CCC2=C(C=CC=C2)C1
|
|
| MCULE-5543631489 |
0.60 |
C1(=CC=CC2OCOC1=2)CN1CCC(CC1)(CO)CC1C=CC=CC=1
|
|
| MCULE-9084313363 |
0.60 |
C1C(CC2C=C3OCOC3=CC=2)CCN(CC2C=C(C=C(C)C=2)C)C1
|
|
| MCULE-8011452148 |
0.60 |
C(F)(F)(F)C1=CC=CC=C1CNCCC1=CC=C2C(OCO2)=C1
|
|
| MCULE-2265945823 |
0.60 |
CC(C1C=CC2OCOC=2C=1)NC1CC(N)CCC1
|
|
| MCULE-7643258857 |
0.60 |
[Cl-].C12C(CC)[NH2+]CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-7117844608 |
0.60 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC(N(C1(C#N)CCCCC1)C)=O)=O
|
|
| MCULE-9642423053 |
0.60 |
N1(C[C@@H]([C@H](CC2C=CN=C3C=CC=CC=23)C1)O)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-9530738487 |
0.60 |
CCOC1C=C2C(CN(C(C3C(C(=O)O)C3)=O)CC2)=CC=1OCC
|
|
| MCULE-6556033812 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C3(C4=CC=C(C)C=C4)CCOCC3)=O)C2)=C1
|
|
| MCULE-1824560678 |
0.60 |
C(=O)(NCC1C=CC2=C(OCO2)C=1)C1C=CC=CC=1C1CCNC1
|
|
| MCULE-2306640570 |
0.60 |
N1(CC2C=CC=CC=2)C2CCCCC2C2C(=CC(=CC=2)OC)C1=O
|
|
| MCULE-9378936758 |
0.60 |
N1(CCC(C2C=CC=CC=2)C2=CC=CC=C2)CC2C=C(OC)C(=CC=2C(O)C1(C)C)OC
|
|
| MCULE-6430653942 |
0.60 |
NC1=CC=C(CC(N2C(C3=CC4=C(OCO4)C=C3)CCC2)=O)C=C1
|
|
| MCULE-5047299755 |
0.60 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C)(C)C1)C1C=CC=CC=1OC.C(O)(=O)C(O)=O
|
|
| MCULE-8975468121 |
0.60 |
CN(C1C2=C(C=CC=C2)CCC1)CC(NCC1=CC2=C(OCO2)C=C1)=O
|
|
| MCULE-9335608592 |
0.60 |
C1(CN2CC[C@H]([C@H](O)C2)C2=CC=C3C(OCO3)=C2)=CC2CCCC=2C=C1OC
|
|
| MCULE-2491241913 |
0.60 |
CCOC1=C(OCC)C=C2C(CCN(C(C3C4CC(CC4)C3)=O)C2)=C1
|
|
| MCULE-4474947831 |
0.60 |
N1CC2=CC(OC)=C(C=C2C[C@H]1C(O)=O)OC
|
|
| MCULE-3089983375 |
0.60 |
COC1C=C2C(CN(C(CC(C3CCNCC3)C)=O)CC2)=CC=1OC
|
|
| MCULE-6012984959 |
0.60 |
C(=O)(C1C=CC2=C(OCO2)C=1)N1CCC(CC1)(CO)CC1=CC=C(C=C1)OC
|
|
| MCULE-2412913319 |
0.60 |
COC1C=C2C(CN(C(CCC3CCNCC3)=O)CC2)=CC=1OC
|
|
| MCULE-8375605023 |
0.60 |
C12CN(CCC1=CC(OC)=C(OC)C=2)CCC(=O)NCC1=CC=C2C(OCO2)=C1
|
|
| MCULE-9846277655 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(C1CCCC1)=O
|
|
| MCULE-2056045175 |
0.60 |
N1CC2=CC(OC)=C(C=C2C[C@H]1C(O)=O)OC
|
|
| MCULE-8956394926 |
0.60 |
O=C(N1C(C2C=CC3OCOC=3C=2)CCC1)CCC1CNCC1
|
|
| MCULE-3692417831 |
0.60 |
N1C(CC2=C(C=C(OC)C(=C2)OC)C1)(C(O)=O)[H]
|
|
| MCULE-3002464786 |
0.60 |
N1CC2=CC(OC)=C(C=C2CC1C(O)=O)OC
|
|
| MCULE-8758207242 |
0.60 |
C(C1(C2=CC3=C(OCO3)C=C2)CCCCC1)NC1CCN(C2COCC2)CC1
|
|
| MCULE-6049290691 |
0.60 |
FC(C1C=CC([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2C=CC(OC)=CC=2)=CC=1)(F)F
|
|
| MCULE-5669512015 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(CC(O)=O)C=CC=C2)=C1
|
|
| MCULE-1438159099 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)CC(O)COC(C)(C)C
|
|
| MCULE-3165560371 |
0.60 |
NC1C=CC=C(CN2C(C3C=CC4OCOC=4C=3)CCC2)C=1
|
|
| MCULE-6619783414 |
0.60 |
C12C(CC=C)NC(CC1=CC(OC)=C(OC)C=2)(C)C
|
|
| MCULE-5708147619 |
0.60 |
NC1C2C=CC=CC=2C(NCC2C=CC3OCOC=3C=2)C1
|
|
| MCULE-1687521415 |
0.60 |
C1(OC)C(OC)=CC(=CC=1OC)CN1CCC(CC1)(CCCC1=CC=CC=C1)CO
|
|
| MCULE-6180341743 |
0.60 |
C12C=C(CNCCCN3CCC(CC3)CC3C=CC=CC=3)C=CC=1OCO2
|
|
| MCULE-3154673321 |
0.60 |
C(F)(F)(F)C1=CC=CC=C1CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-9653353902 |
0.60 |
N1(CC2C=CC3=C(OCO3)C=2)C[C@@H]([C@H](CN2CCCCC2)C1)CO
|
|
| MCULE-1195280672 |
0.60 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-5020753905 |
0.60 |
CC(C1C=CC2OCOC=2C=1)NCC1CCOCC1
|
|
| MCULE-9490207075 |
0.60 |
O[C@H]1[C@H](NC2C3C(=CC=C(C=3)O)CCC2)CCCC1
|
|
| MCULE-3383596411 |
0.60 |
COC1=C(OC)C=C(C(N[C@@H]2CC[C@H](O)CC2)C)C=C1
|
|
| MCULE-9277329526 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(C)C1=CC=CC=C1
|
|
| MCULE-3506278043 |
0.60 |
COC1=C(OC)C=C(CN2C(CC(O)C)CCC2)C(C)=C1
|
|
| MCULE-2963861489 |
0.60 |
CCCN1CC2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-5683872568 |
0.60 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1C(C1CNCC1)=O)OCCO3
|
|
| MCULE-4995896979 |
0.60 |
COC1C=C2C(C(N(C(C3COCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5136750602 |
0.60 |
C12=C(CCNC1C(C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-8057372367 |
0.60 |
CC(C1C=CC2OCOC=2C=1)NC1CCC(C(F)(F)F)CC1
|
|
| MCULE-5995409132 |
0.60 |
Cl.C12C(CC)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-1313997148 |
0.60 |
C1(OC)C(OC)=CC2C(NCCC=2C=1)CC
|
|
| MCULE-6530055442 |
0.60 |
C12C=CC=CC=1CCCC2NCC1=CC=C(C(OC)=C1)OC
|
|
| MCULE-9075278017 |
0.60 |
N1(CCCC(CO)(CC2C=CC=C(OC)C=2)C1)CC1C=CC(=CC=1)OC
|
|
| MCULE-4530608070 |
0.60 |
CC(C1=C2C(OCO2)=CC=C1)NCC(C1=CC=CC=C1)CCO
|
|
| MCULE-6191426487 |
0.60 |
C1(F)(F)OC2=C(C=C(C=C2)CN2CCC[C@]3(CCC[C@H]3O)C2)O1
|
|
| MCULE-5022763601 |
0.60 |
Cl.C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-1410384787 |
0.60 |
[Cl-].[NH+]1(CC2C=CC(Br)=CC=2)CC2C=C(OC)C(=CC=2CC1(C)C)OC
|
|
| MCULE-3547172749 |
0.60 |
COC1CC(NC2C3C=CC=C(O)C=3CCC2)CCC1
|
|
| MCULE-9634748051 |
0.60 |
C1(F)(F)OC2=C(C=C(C=C2)CN2CCC[C@@]3(CCC[C@H]3O)C2)O1
|
|
| MCULE-8308493539 |
0.60 |
CC(C1=CC2=C(OCO2)C=C1)NC(C1(C2=CC=CC=C2)CCC1)=O
|
|
| MCULE-1018536945 |
0.60 |
N1(CCCC(CO)(CC2C=CC=C(OC)C=2)C1)CC1=CC=C2C(OCCO2)=C1
|
|
| MCULE-1054088829 |
0.60 |
C1(C=C(C)C=CC=1O)CN1CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-1942001997 |
0.60 |
COC1=C(OC)C=C2CN(CC3=C(O)C=C4CCCC4=C3)CCC2=C1
|
|
| MCULE-9234489370 |
0.60 |
OC1C2C(=CC3=C(C=2)OCO3)CN(CC2C=CC=CC=2)C1
|
|
| MCULE-5529150982 |
0.60 |
Cl.CCOC1C=C2C(CN(CC2)CCCC(=O)O)=CC=1OCC
|
|
| MCULE-5357077861 |
0.60 |
COC(CC(N1C(C2C=CC3OCOC=3C=2)CCC1)=O)CN
|
|
| MCULE-4348309625 |
0.60 |
C12(OCCO1)CCN(CC2)C(C1=CC=C2C(OCO2)=C1)CC(O)=O
|
|
| MCULE-6090771334 |
0.60 |
FC(COCCC(N1C(C2=CC3=C(OCO3)C=C2)CCC1)=O)(F)F
|
|
| MCULE-9415024151 |
0.60 |
CC(=O)NC(C1N(CC)CCC2C1=CC(OC)=C(OC)C=2)C(C)C
|
|
| MCULE-7160993944 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(NC3CCC(O)CC3)=O)C2)=C1
|
|
| MCULE-5485411641 |
0.60 |
N1(CC2=CC=C(C(F)=C2)F)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-1164916190 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(CN(C3CCCC3)CC3=CC4=C(OCO4)C=C3)=O)C2)=C1
|
|
| MCULE-9301247429 |
0.60 |
[C@H]1(CN(C[C@H]1C1C=CC2=C(OCO2)C=1)CC1=CC=CC(C)=C1F)C(O)=O
|
|
| MCULE-5995034604 |
0.60 |
COC1=CC=C(C2N(CC(N3CC4=C(C=C(C(=C4)OC)OC)CC3)=O)CCCCC2)C=C1
|
|
| MCULE-2241279926 |
0.60 |
C1(CN2CCCC(CO)(CC3=CC=CC=C3F)C2)=CC2OCOC=2C=C1Cl
|
|
| MCULE-4305404309 |
0.60 |
NC1=CC2=C(C(NC(CC3=CC4=C(OCO4)C=C3)=O)CCC2)C=C1
|
|
| MCULE-4595922659 |
0.60 |
COC1C=C2C(C(N(C(CCC(F)(F)F)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9068899112 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4725092267 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C3C(C)OC(C)C3)=O)C2CC(O)=O)=C1
|
|
| MCULE-6599095599 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1CCC(=CC1)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1984338127 |
0.60 |
CC(C1C=CC2OCOC=2C=1)NC1C(C)CCC1
|
|
| MCULE-7659624743 |
0.60 |
C12CCCCC1(O)CCNC2C1C=CC(=CC=1)OC
|
|
| MCULE-6336038114 |
0.60 |
N1(CC2C=CC3=C(OCO3)C=2)C[C@@H]2CC[C@@H]([C@@H]2OC)C1
|
|
| MCULE-7694682610 |
0.60 |
COC1C=CC2CCC(NC3CCC(N)CC3)C=2C=1
|
|
| MCULE-1367303166 |
0.60 |
C1(OC)C=C2CCN(C)[C@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-4953302730 |
0.60 |
C1(OC)C=C2CCN(C)[C@@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-7156655588 |
0.60 |
C(C1(C2=CC3=C(OCO3)C=C2)CCOCC1)NC(C1CC1)C1CC1
|
|
| MCULE-1663051633 |
0.60 |
[C@@]12([H])CC3=C(C(O)=C(OC)C=C3)CN1CCC1C=C(OC)C(O)=CC2=1
|
|
| MCULE-8463474818 |
0.60 |
CCOC1C=C2C(CN(CC2)CC2(CNCC2)C)=CC=1OCC
|
|
| MCULE-5058875411 |
0.60 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=C2C(OCO2)=C1)OC
|
|
| MCULE-1076237349 |
0.60 |
COC1C=CC(CC(C2C=CC=CC=2)NC2CCC(C(=O)O)CC2)=CC=1OC
|
|
| MCULE-8502078559 |
0.60 |
OC(C1(C(NCC2(C3C=CC4OCOC=4C=3)CCCCC2)=O)CC1)=O
|
|
| MCULE-2830749017 |
0.60 |
O=C(C1=CC2=C(OCO2)C=C1)NCC1(C2=CC=CC=C2)CCCC1
|
|
| MCULE-7052058291 |
0.60 |
N1(CCCC(C1)CCC1=CC=CC=C1C)C(=O)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8684273460 |
0.60 |
O=C(NCC1=CC2=C(OCO2)C=C1)CC1=CC2=C(CCCC2)C=C1
|
|
| MCULE-1766232495 |
0.60 |
CN(C(CC1=CC2=C(CCCC2)C=C1)=O)CC1=CC2=C(OCO2)C=C1
|
|
| MCULE-1334384776 |
0.60 |
COC(CC(N1CC2(CC2)C2=C(C=CC(=C2)OC)C1)=O)C
|
|
| MCULE-5180114139 |
0.60 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)O)O)C(C1=CC=CC=C1)=O
|
|
| MCULE-5734449746 |
0.60 |
O=C(C1=C2C(CCC2)=CC=C1)NCCC1=CC2=C(OCO2)C=C1
|
|
| MCULE-6550444652 |
0.60 |
N1(CC[C@H]([C@H](O)C1)C1=CC=C2C(OCO2)=C1)C(=O)C1C=CC=CC=1C
|
|
| MCULE-1198557108 |
0.60 |
COC1=C(OC)C=C2C(CCCCC2NC(C2(CC2)O)=O)=C1
|
|
| MCULE-8882069687 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCN(CC1)CCN1C=CN=C1
|
|
| MCULE-7426305896 |
0.60 |
C(O)(CC1C=CC=CC=1)(C1=CC=C(C=C1)OCCCC)C(C1C=CC=CC=1)CN1CCN(CC1)CC1=CC=C2C(OCO2)=C1
|
|
| MCULE-7359195431 |
0.60 |
C12(CCCC1)CNC(C(=O)NC)C1C=C(C(OC)=CC2=1)OC
|
|
| MCULE-7282607636 |
0.60 |
CC1=CC=C(C(N2CC3(CCCC3)C3=C(C=C4C(=C3)OCCO4)C2)=O)C=C1
|
|
| MCULE-7717209962 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CC(N(C)C)=O
|
|
| MCULE-3057799866 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1C(C1=CC=CC=C1)=O
|
|
| MCULE-8717486044 |
0.60 |
NC(C1=CC=C(C(N2CC3(CCCC3)C3=C(C=C4C(=C3)OCCO4)C2)=O)C=C1)=O
|
|
| MCULE-3762765987 |
0.60 |
C1(=CC=C2C(OCO2)=C1)C1CNCC1CO
|
|
| MCULE-7273307698 |
0.60 |
C12C(CC)[NH2+]CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-2059063218 |
0.60 |
C1(CN(CC1CO)C)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-1726727695 |
0.60 |
CC(NC(C1C=CC2OCOC=2C=1)C)CCC1C=CC(O)=CC=1
|
|
| MCULE-9612865669 |
0.60 |
COC1=CC2=C(C(NCC3=CC=CC=C3)CCC2)C=C1
|
|
| MCULE-2733473967 |
0.60 |
COC1C=CC2C(CCCC=2C=1)CNCC1C=CC=CC=1
|
|
| MCULE-2138481722 |
0.60 |
Cl.C1(=CC=C(C(OC)=C1)OC)C1(CCCC1)CNCC1=CC=C(O)C=C1
|
|
| MCULE-7409300383 |
0.60 |
O[C@@H]1C[C@H](NC2C3=C(C=CC(=C3)O)CCC2)C1
|
|
| MCULE-6933064643 |
0.60 |
C12CN(CCC=1C=C(C(OC)=C2)OC)CCC(O)=O
|
|
| MCULE-6943816006 |
0.60 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-].I
|
|
| MCULE-3362777972 |
0.60 |
[I-].[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-8620597365 |
0.60 |
C1(OC)C(OC)=CC2C(CC3C=CC=CC=3)[NH2+]C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-9569786563 |
0.60 |
Cl.N1(CCC(C1)C1=CC=C2C(OCO2)=C1)CC1C=CC(=C(C)C=1)C
|
|
| MCULE-8195897535 |
0.60 |
C12=CC(CNCCC3(O)CCOC(C)(C)C3)=CC=C1OCO2
|
|
| MCULE-7327694142 |
0.60 |
C1C2C=C(OC)C(OC)=CC=2C2NC1C1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-7716398349 |
0.60 |
[I-].[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-1167555823 |
0.60 |
OC(CCCCC(NCC1(C2C=CC3OCOC=3C=2)CCCCC1)=O)=O
|
|
| MCULE-4363587633 |
0.60 |
OC(C1CCC(C(NCC2(C3C=CC4OCOC=4C=3)CCCCC2)=O)CC1)=O
|
|
| MCULE-4671287802 |
0.60 |
OC(CN1C(C2C=CC3OCOC=3C=2)CCC1)=O
|
|
| MCULE-1988737577 |
0.60 |
C12CN(C)CC(O)C1=CC1OCOC=1C=2
|
|
| MCULE-6328517608 |
0.60 |
COC1=CC=C([C@@H]2[C@H]([C@@H]([C@@H](C2)O)O)NCC2C=C(C#N)C=CC=2)C=C1
|
|
| MCULE-3811060238 |
0.60 |
COC1=CC2=C(CCN(C(C3CC(C(O)=O)CCC3)=O)C2)C=C1
|
|
| MCULE-4155115482 |
0.60 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1)=O
|
|
| MCULE-4733713561 |
0.60 |
C1(CCOC)(CCCN(CC2=C(C)C=C3C(OCO3)=C2)C1)C(O)=O
|
|
| MCULE-5725816468 |
0.60 |
N1(CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC(OC)=C(C(OC)=C1)OC)O)CC1C=CC=CC=1Cl
|
|
| MCULE-9833430426 |
0.60 |
C1(=CC(OC)=C(C=C1OC)OC)C1NCCC2(CCCCC12)O
|
|
| MCULE-5619283079 |
0.60 |
C1CC2=C([C@@H](N1)CC(OC)=O)C=C(OC)C(OC)=C2
|
|
| MCULE-9749064463 |
0.60 |
C1(=O)C(C2=CC=CC=C2)CC2(CN1C)CCN(CC2)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-6974105433 |
0.60 |
N1(CCC2(C(CCCC2)C1C1=CC(OC)=C(C(OC)=C1)OC)O)CC1C=CC=CC=1Cl
|
|
| MCULE-2702819632 |
0.60 |
OCC1(NCC2=C3C(OCO3)=CC=C2)C2=C(C=CC=C2)CC1
|
|
| MCULE-2121071682 |
0.60 |
N1(CCC2(C(CCCC2)C1C1=CC=C(C(OC)=C1)OC)O)C(=O)C1C=CC=C(F)C=1
|
|
| MCULE-6340244400 |
0.60 |
N1(CC2=CC=CC=C2F)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-2903974695 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CCN2C(=O)CCC2)=C1
|
|
| MCULE-5619455050 |
0.60 |
C12(CCN(CC1)C(CCC1=CC=C3C(OCO3)=C1)=O)[C@@H](O)[C@@H](C1=CC=CC=C21)N
|
|
| MCULE-4245882859 |
0.60 |
C1=C(C(=CC=C1C(=O)N[C@@H]1[C@H](C[C@H]([C@H]1O)O)C1=CC=C(OC)C=C1)OC)OC
|
|
| MCULE-2725889571 |
0.60 |
C(N1C(C2=CC3=C(OCO3)C=C2)CCC1)CN1N=CC=C1
|
|
| MCULE-9654278521 |
0.60 |
Cl.C12C=C3OCCOC3=CC=1C1(CNC2C2=CC(OC)=C(C(OC)=C2)OC)CCCC1
|
|
| MCULE-7882911461 |
0.60 |
COC1C=C2C(CN(CC2)CC(N2C(CCC(=O)O)CCCC2)=O)=CC=1OC
|
|
| MCULE-1671406399 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)[C@@H]1CCN(C[C@@H]1CCC(OC)=O)CC1=CC=C(C=C1F)F
|
|
| MCULE-2971030988 |
0.60 |
CCC(C1C=CC=CC=1)C(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O
|
|
| MCULE-9962680970 |
0.60 |
COC1C=C2C(C(N(C(CCC3C=CC=CC=3C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9975367074 |
0.60 |
[C@H]1(CN(C[C@H]1C1C=CC=CC=1C)CC1=CC2OCOC=2C=C1Cl)C(O)=O
|
|
| MCULE-5473096762 |
0.60 |
Cl.C12=C(CCN(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1092798277 |
0.60 |
CNCC(C(N1C(C)C2C=C3C(=CC=2C2(CCCC2)C1)OCCO3)=O)C
|
|
| MCULE-7540454870 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2272770011 |
0.60 |
CNCCC(N1C(C)C2C=C3C(=CC=2C2(CCCC2)C1)OCCO3)=O
|
|
| MCULE-4276756559 |
0.60 |
C12(CCN(CC1)CC1C=CC3=C(OCO3)C=1)C1=CC=CC=C1[C@@H](NC(COC1C=CC=CC=1)=O)[C@@H]2O
|
|
| MCULE-7082684567 |
0.60 |
COC1C=CC(CC(NC2C3C=CC=CC=3CC2)C)=CC=1OC
|
|
| MCULE-9416196273 |
0.60 |
COC1=CC2=C(CC(N(C(CCN3N=CN=C3)=O)C2)C2CCCCC2)C=C1
|
|
| MCULE-4887080074 |
0.60 |
COC1C=C2C(C(N(C(C3C4C=CC=CC=4CC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5568998779 |
0.60 |
C1(=C(C=C2C(=C1)C(C(C)C)NCC2)OC)OC.Cl
|
|
| MCULE-8892176406 |
0.60 |
C12=CC(=C(C=C1C(C)N(CC2)C(=O)CC(C)(C)CC(=O)O)OC)OC
|
|
| MCULE-6082208378 |
0.60 |
CCOC1C=C2C(CN(C([C@H]3C[C@@H](C(=O)O)CC3)=O)CC2)=CC=1OCC
|
|
| MCULE-2540428493 |
0.60 |
C12=CC(=C(C=C1C(N(C(CCCC(=O)O)=O)CC2)C)OC)OC
|
|
| MCULE-5581461848 |
0.60 |
N1(CCCCC1)C(CN)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-1220407955 |
0.60 |
CC(C1C=CC2OCOC=2C=1)NC1CC(C(F)(F)F)CCC1
|
|
| MCULE-3292939898 |
0.60 |
C12=CC(=CC=C1OCO2)CNC(C)CC1C=CC(=CC=1)OC
|
|
| MCULE-6226072308 |
0.60 |
N1(CCCCl)C(=O)C2C=CC=CC=2C(C(O)=O)C1C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8447380552 |
0.60 |
O=C(N1C(C2=CC3=C(OCO3)C=C2)CCC1)C1CCCC1
|
|
| MCULE-7926837494 |
0.60 |
C(=S)(NC1CCCCC1)N1CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-9068584912 |
0.60 |
CC(C1C=CC2OCOC=2C=1)NC(C1CC(C(=O)O)CCC1)=O
|
|
