| MolPort-046-509-015 |
1 |
CC(C)[C@@H]1CC\C(C)=C/CCC(=C)\C=C/1
|
|
| MCULE-4260125231 |
1 |
C1C(=C)CCC=C(C)CC[C@@H](C(C)C)C=1
|
|
| MCULE-1851405136 |
0.96 |
C1(CC/C=C(\C)/C)CC(C)(C)CC(=C)C=1
|
|
| MolPort-046-197-155 |
0.88 |
C[C@@H](CCC=C(C)C)[C@H]1CCC(=C)C=C1
|
|
| MCULE-8119650659 |
0.81 |
C12([H])CC1([H])C=CC(=C)CC2
|
|
| MCULE-3292573526 |
0.81 |
C12(CCC1([H])C=CC(=C)CC2)[H]
|
|
| MCULE-5064867721 |
0.81 |
C12C(C)(C)C(C1)CC=CC2=C
|
|
| MCULE-2462317444 |
0.81 |
C(C)(=C)C1CCC(=CC1)C
|
|
| MCULE-7380592285 |
0.81 |
C(C)(=C)[C@@H]1CCC(=CC1)C
|
|
| MCULE-6736529827 |
0.81 |
C=C(C)[C@H]1CCC(C)=CC1
|
|
| MCULE-1385130554 |
0.81 |
C1C[C@H](C(=C)C)CCC=1C
|
|
| MCULE-5992544838 |
0.81 |
C1(C)CC[C@H](C(C)=C)CC=1
|
|
| MolPort-001-782-985 |
0.81 |
CC(=C)C1CCC(C)=CC1
|
|
| MolPort-002-507-206 |
0.81 |
CC(=C)[C@@H]1CCC(C)=CC1
|
|
| MolPort-046-762-776 |
0.81 |
[2H]C1=C(C)CC([2H])([2H])C(C(C)=C)C1([2H])[2H]
|
|
| MolPort-003-927-778 |
0.81 |
CC(=C)[C@H]1CCC(C)=CC1
|
|
| MolPort-046-691-372 |
0.81 |
CC(C)=CCCC(=C)[C@H]1CCC(C)=CC1
|
|
| MCULE-6452451064 |
0.80 |
C1(C)C2CC2(C)C=C(C)C=C(C)C=1
|
|
| MCULE-3537216178 |
0.80 |
C=CCCC1CCCCCCC=1
|
|
| MCULE-1740726456 |
0.80 |
C/C(/C)=C/CCC1CCCCCCC=1
|
|
| MCULE-3023312584 |
0.80 |
C1C=CC(C2C=CCCCCC2)CCCC1
|
|
| MolPort-009-019-391 |
0.80 |
CCCCCCCCCCCCCCC\C=C/CC\C=C/CCCCCC
|
|
| MCULE-5783445973 |
0.79 |
C1CCC(C)=CC(C)=C1
|
|
| MCULE-3095136217 |
0.78 |
C1C(C)(C)CC(=C)C2(C)CC2C=1
|
|
| MCULE-1662175214 |
0.77 |
C12C=CC3C=CC(C13)C(C=C)=C2
|
|
| MCULE-2718905302 |
0.77 |
C/C(/C)=C/CCC1CCCCCC=1
|
|
| MCULE-4061101233 |
0.77 |
C1CC(C)=C2CCC(C)=CCCC(=C)CCC1C2(C)C
|
|
| MCULE-9720211636 |
0.77 |
[C@@]12([H])CCC(C)=CCCC(=C)[C@@]1([H])CC2(C)C
|
|
| MCULE-3106478848 |
0.77 |
[C@@]12([H])CCC(C)=CCCC(=C)[C@@]1([H])CC2(C)C
|
|
| MCULE-7880343136 |
0.77 |
C1CC(C2CCCC=C2)C=CC1
|
|
| MCULE-4374054066 |
0.77 |
C12C(CCC=C(C)CCC1C(C)(C)C2)=C
|
|
| MCULE-6946131615 |
0.77 |
C12C=CCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
|
|
| MolPort-000-002-651 |
0.77 |
C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1
|
|
| MolPort-001-793-250 |
0.77 |
C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1
|
|
| MolPort-044-637-519 |
0.77 |
CC1=C2CC\C(C)=C\CCC(=C)CCC(CC1)C2(C)C
|
|
| MolPort-044-724-119 |
0.77 |
CC1=CCCC(=C)C2CC(C)(C)C2CC1
|
|
| MolPort-005-909-590 |
0.77 |
C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@H]2CC1
|
|
| MolPort-028-929-265 |
0.77 |
C\C1=C/CCC(=C)C2CC(C)(C)C2CC1
|
|
| MolPort-002-507-175 |
0.77 |
C\C1=C\CCC(=C)C2CC(C)(C)C2CC1
|
|
| MCULE-8763605616 |
0.76 |
CCCCCC=CC=C
|
|
| MCULE-8565634937 |
0.76 |
C(=CCC(C)CC/C=C(\C)/C)C=C
|
|
| MCULE-6821761650 |
0.76 |
C1CC2C=C(C3C4CCC5CCC(C=3)C54[H])C3CCC1C23[H]
|
|
| MCULE-3193644109 |
0.76 |
C1=CC2C=C(C3C4C=CC5C=CC(C=3)C54[H])C3C=CC1C23[H]
|
|
| MolPort-019-998-091 |
0.76 |
CC(C)=CCC\C(C)=C\C=C
|
|
| MolPort-006-129-585 |
0.76 |
CC(C)=CCCC(C)=CC=C
|
|
| MolPort-003-926-236 |
0.75 |
CC1=CC2C(C1)C1CC2C(C)=C1
|
|
| MolPort-019-923-047 |
0.75 |
C1C=CC2[C@@H]3C[C@@H](C=C3)C12
|
|
| MolPort-046-792-758 |
0.75 |
C1C=C[C@H]2[C@@H]3C[C@H](C=C3)[C@@H]12
|
|
| MolPort-046-196-107 |
0.75 |
CC1C=CC2C3CC(C=C3)C12
|
|
| MolPort-044-724-114 |
0.75 |
CC1(C)C=CC2C3CC(C=C3)C12
|
|
| MolPort-003-960-040 |
0.75 |
CC(C)C1CC=C(C)C=C1
|
|
| MolPort-003-939-018 |
0.75 |
CC(C)[C@H]1CC=C(C)C=C1
|
|
| MCULE-3415595752 |
0.75 |
C1(C)C2(C(C)(C3(C)C(C)=C(C)C23C)C=1C)C
|
|
| MCULE-8120653180 |
0.75 |
C1(CC)(CC)C2C(C3CC2C=C3)C=C1
|
|
| MCULE-2787902394 |
0.75 |
C=CC1C2C=CC(C2)C1
|
|
| MCULE-9069962871 |
0.75 |
C12C=CCC1C1CC2C=C1
|
|
| MCULE-6193286520 |
0.75 |
CC1C=CC2C1C1C=CC2C1
|
|
| MCULE-9355268312 |
0.75 |
C12C=C(CC1C1CC2C(=C1)C)C
|
|
| MCULE-5623444215 |
0.75 |
C1(C2C=CC(C34C=CC23CC=CC4)C1C)C
|
|
| MCULE-7424334706 |
0.75 |
C1=CC2C3C(C)=C(C)C3C1CC2
|
|
| MCULE-5237148453 |
0.75 |
C1=CC2C3C=CC3C1C(C)C2C
|
|
| MolPort-003-911-175 |
0.74 |
C1C=CC2CC=CCC12
|
|
| MCULE-1666536703 |
0.74 |
C[C@@H](C=C[C@H]([C@@H]1[C@]2(C)C(=C3[C@@](CC2)([H])[C@]2(C)[C@@]4([C@H](CC2)C4)C=C3)CC1)C)C(C)C
|
|
| MCULE-5064578979 |
0.74 |
C12C3C(C=C1)C1C=CC4C5C=CC2C5C3C41
|
|
| MCULE-9374013475 |
0.74 |
CCCCCCC=C/C=C(\C)/C
|
|
| MCULE-7470328938 |
0.74 |
C1CC2CC=CC2CC=1
|
|
| MolPort-044-561-368 |
0.73 |
C\C(\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C\C=C(\C)/C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-006-168-703 |
0.73 |
C\C(C=C)=C/C=C/C(/C)=C/C=C1\C(C)=CCCC1(C)C
|
|
| MolPort-044-193-361 |
0.73 |
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
|
|
| MolPort-001-785-959 |
0.73 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-002-501-801 |
0.73 |
C1CC(CC=C1)\C=C\C1CCC=CC1
|
|
| MCULE-3019762823 |
0.73 |
CC1(C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2C(C)(C)CCCC=2C)\C)\C)/C)/C)=C(C)CCC1)C
|
|
| MCULE-2013298810 |
0.73 |
C1(C(C)(C)CCCC=1C)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)(C)CCCC=1C
|
|
| MCULE-1150484669 |
0.73 |
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C\C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C)=C(C)CC1
|
|
| MCULE-5926246821 |
0.73 |
C1(CCC=CC1)C=CC1CCC=CC1
|
|
| MCULE-5575647926 |
0.73 |
C(C1CCCCCCC=1)C1CC=CC1
|
|
| MCULE-1027409234 |
0.73 |
C(C1CCC=CC1)=C
|
|
| MCULE-2114408498 |
0.73 |
C1=CC2C=CC3=CCC1C23
|
|
| MolPort-046-690-808 |
0.72 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-001-770-064 |
0.72 |
CCCCCCCCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-000-006-321 |
0.72 |
CCCCCCCCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-507-709 |
0.72 |
C1CCCCC\C=C\CCCC1
|
|
| MolPort-003-929-253 |
0.72 |
C1CCCCC\C=C/CCCC1
|
|
| MolPort-001-787-073 |
0.72 |
C1CCC\C=C/CC1
|
|
| MCULE-7932096825 |
0.72 |
C12C=CC=CC(C1)CCC2
|
|
| MCULE-6947636935 |
0.72 |
C1(=CC=C(C2CCCCC2)CC1)C1CCCCC1
|
|
| MCULE-1586115128 |
0.72 |
C1C2C3C(CC=CC23)C=1
|
|
| MCULE-2737650784 |
0.72 |
C1=CC(=C)C=CCCCC1
|
|
| MCULE-1565327857 |
0.72 |
C1C2(C3C4C5(CC5)C(C3C=C2)C=C4)C1
|
|
| MCULE-9704495201 |
0.72 |
C1CCCCCCC=1
|
|
| MCULE-7809911769 |
0.72 |
C1CCCCCCCCCCC=1
|
|
| MCULE-8207675419 |
0.72 |
C(=CCCCCCCC)CCCCCCCC
|
|
| MCULE-6643575770 |
0.72 |
C(CCCCCCCCCCCCCCCC)=CCCCCCCCCCCCCCCCCC
|
|
| MCULE-1230321976 |
0.72 |
C1CCCCCC=CC1
|
|
| MCULE-2563386017 |
0.72 |
C1(C)=CCCC(C)=CCCC=C(C)CC1
|
|
| MCULE-1585960766 |
0.72 |
C(=CCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
|
|
| MCULE-8462090063 |
0.72 |
C1CC(C)=CCCCC=CC1
|
|
| MCULE-1793283479 |
0.72 |
C1CCCCCCCCC=1
|
|
| MCULE-9534437752 |
0.72 |
C12(CC(C3=C(CC(C)=C13)C)(C)C)CC(C1=C(CC(C)=C21)C)(C)C
|
|
| MolPort-001-640-641 |
0.72 |
CC1=C2C(=C(C)C1)C1(CC2(C)C)CC(C)(C)C2=C(C)CC(C)=C12
|
|
| MolPort-003-928-066 |
0.71 |
CC(C)C1=CC=C(C)CC1
|
|
| MCULE-5702073198 |
0.71 |
C/C(=C/C=CC1CCCCC1)/C
|
|
| MCULE-6084404864 |
0.71 |
C1C2([H])CC2([H])C=CC=CC1
|
|
| MCULE-2815659183 |
0.71 |
C1(CCC(C)=CC=CC(C)=O)C(C)(C)CCCC=1C
|
|
| MCULE-8044728821 |
0.71 |
C12C(C)=CC1C1C=CC2C=CC=C1
|
|
| MolPort-002-507-184 |
0.70 |
C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
|
|
| MolPort-005-910-094 |
0.70 |
CC1CCC=C2CCC(CC12C)C(C)=C
|
|
| MCULE-7795984748 |
0.70 |
CCCCCC=C/C=C(\C)/C
|
|
| MCULE-5616785989 |
0.70 |
C12(C)C(C)CCC=C1CCC(C(C)=C)C2
|
|
| MCULE-5756833407 |
0.70 |
[C@]12(C)[C@H](C)CCC=C1CC[C@@H](C(=C)C)C2
|
|
| MCULE-6271009692 |
0.70 |
C(C1CCCCCC=1)C1CC=CC1
|
|
| MCULE-9138915695 |
0.70 |
C12C3CC(C=C3)C1C=C2C
|
|
| MCULE-3559718919 |
0.70 |
C1CC23C=CC2(CC2CC2C3)CC=1
|
|
| MolPort-006-113-308 |
0.69 |
CC1=CCCCCC1
|
|
| MolPort-035-766-462 |
0.69 |
C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
|
|
| MolPort-003-926-424 |
0.69 |
C1CCC=CCC1
|
|
| MCULE-4514853156 |
0.69 |
C1CCC=CCC1
|
|
| MCULE-4997792867 |
0.69 |
C1(CCCCC1)C=CC1CCCCC1
|
|
| MCULE-6619141408 |
0.69 |
C1CC2CC(=C3CC4CCC5CCC3C54[H])C3CCC1C23[H]
|
|
| MCULE-9605328516 |
0.69 |
C(CC)(C)(C)C1CC=CCC1
|
|
| MCULE-8052625701 |
0.69 |
C1CC2CC2CCC=C1
|
|
| MCULE-4680621874 |
0.69 |
C1CC2C=CCC2C=1
|
|
| MCULE-6864358337 |
0.69 |
C1C(C(C)C)=CCC(C(C)C)C1
|
|
| MCULE-4187091593 |
0.69 |
C12C3C4C1C=CC2C3C=C4
|
|
| MCULE-1604265119 |
0.69 |
C12C(C)(C)C(C1)C=CC=C2
|
|
| MCULE-2042078418 |
0.69 |
C1C=C(C)CCC(C)=CC=1
|
|
| MCULE-2562092030 |
0.69 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](CO)(C)C1
|
|
| MolPort-035-706-545 |
0.69 |
C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C
|
|
| MolPort-006-395-270 |
0.68 |
[2H]C([2H])([2H])C(=CCCC(=C)C=C)C([2H])([2H])[2H]
|
|
| MolPort-001-792-515 |
0.68 |
CC(C)=CCCC(=C)C=C
|
|
| MolPort-046-761-933 |
0.68 |
[2H]C([2H])([2H])C(=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C([2H])([2H])[2H]
|
|
| MolPort-001-785-792 |
0.68 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
|
|
| MCULE-3233444254 |
0.68 |
C(/C)(\C)=C/CCC(C)CC=CCC
|
|
| MCULE-1565918521 |
0.68 |
C(C)(CC/C=C(\C)/C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC/C=C(\C)/C
|
|
| MCULE-6502298535 |
0.68 |
C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-4319451116 |
0.68 |
C1(C)CCC=C(C)CCC=C(C)CCC=1
|
|
| MCULE-6675505799 |
0.68 |
CCC=CCCCCC=CCC
|
|
| MCULE-3621740975 |
0.68 |
CCCCCC=CC(C)C
|
|
| MCULE-7233625152 |
0.68 |
CC1=CCCC(C)=CCC1
|
|
| MCULE-2740140034 |
0.68 |
CCCCCC=CC(C)(C)C
|
|
| MCULE-4024786417 |
0.68 |
[H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
|
|
| MCULE-8485688872 |
0.68 |
[H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
|
|
| MCULE-9247564447 |
0.68 |
C1CC(C(C)(C)C)=CC=C1
|
|
| MCULE-5070404010 |
0.68 |
C1=CC2CC(=C3C4C=CC5C=CC(C3)C54[H])C3C=CC1C23[H]
|
|
| MCULE-5809713750 |
0.68 |
[C@@H]1(O)C(=C)CC[C@@H](C(C)C)C=CC(=C)CC1
|
|
| MolPort-039-338-364 |
0.68 |
CC(C)[C@@H]1CCC(=C)[C@@H](O)CCC(=C)\C=C\1
|
|
| MCULE-4741815186 |
0.67 |
[C@H]12C(C)=CC[C@H](C1(C)C)C2
|
|
| MCULE-3867013572 |
0.67 |
[C@H]12C(C)=CC[C@H](C1(C)C)C2
|
|
| MCULE-2562452387 |
0.67 |
[H]C12C(C)(C)C=CCC1(C)C1CC=C3C4(CC(C)(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
|
|
| MCULE-6038724907 |
0.67 |
CC1([C@@]2(C[C@]1(CC=C2C)[H])[H])C
|
|
| MCULE-3589656574 |
0.67 |
C12C(C)=CCC(C1(C)C)C2
|
|
| MCULE-5334604577 |
0.67 |
C12(C)CCCC31C(C)CCC3(C)C(C)=C2
|
|
| MCULE-8520270175 |
0.67 |
C12([H])C=CC3([H])CCC([H])(CC1)C23[H]
|
|
| MCULE-3292738983 |
0.67 |
C12(C)CCC(C(C)C)=C1CCC(C)CC2
|
|
| MCULE-7493190737 |
0.67 |
C1CCC2CCC3CCCC4C3=C2C1CC4
|
|
| MolPort-003-928-859 |
0.67 |
CC1=CC[C@@H]2C[C@H]1C2(C)C
|
|
| MolPort-044-559-951 |
0.67 |
[Cl-].[Cl-].[Ir].[Ir].C1CCC\C=C/CC1.C1CCC\C=C/CC1.C1CCC\C=C/CC1.C1CCC\C=C/CC1
|
|
| MolPort-003-926-536 |
0.67 |
CC1=CCC2CC1C2(C)C
|
|
| MolPort-045-999-272 |
0.67 |
CC1(C)C2CC1C=CC2
|
|
| MolPort-002-507-223 |
0.67 |
CC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-046-196-010 |
0.67 |
[Fe++].[CH-]1C=CC=C1.C1CC=C(C1)[C-]1C=CC=C1
|
|
| MCULE-4541255966 |
0.66 |
C(=CC(C)=O)C1C(C)CC(=CC1C)C
|
|
| MCULE-6769530046 |
0.66 |
C(C1CC=C(CC1C)C)=CC(C)=O
|
|
| MCULE-4944102530 |
0.66 |
C(C)(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CC/C=C(/C)\C)C=CC=C(C)CC/C=C(\C)/C
|
|
| MCULE-9947050551 |
0.66 |
C(=CC=CC=C)CCCCC
|
|
| MCULE-4733358686 |
0.66 |
C(C/C=C(\C)/C)/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C
|
|
| MolPort-000-787-941 |
0.66 |
CC1CC(C)=CC(C)C1\C=C\C(C)=O
|
|
| MolPort-000-716-292 |
0.66 |
CC1CC(C)=CCC1\C=C\C(C)=O
|
|
| MolPort-001-790-546 |
0.66 |
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C
|
|
| MolPort-044-193-707 |
0.66 |
CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
|
|
| MolPort-020-180-049 |
0.65 |
CC(C)(C)C1CCC=CC1
|
|
| MCULE-7705781017 |
0.65 |
C1C=CCC(C(C)(C)C)C1
|
|
| MCULE-8332309727 |
0.65 |
C1(C)(C)CC(C)(C)CC=C1
|
|
| MCULE-3282836543 |
0.65 |
C1(/CCCCC/1)=C1\CCCCC\1
|
|
| MolPort-003-925-989 |
0.64 |
CC1=CC[C@@H]2[C@H](C1)C2(C)C
|
|
| MolPort-044-755-235 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-762-111 |
0.64 |
CC1CC2CC1C=C2
|
|
| MolPort-002-507-828 |
0.64 |
CC1(C)C2CCC1(C)C(C2)C1=CCCCC1
|
|
| MolPort-035-385-967 |
0.64 |
CC1C[C@@H]2[C@H](C=C1)C2(C)C
|
|
| MolPort-002-526-489 |
0.64 |
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C
|
|
| MolPort-006-119-713 |
0.64 |
CC1CCC2C(C)(C)C3CC12CC=C3C
|
|
| MolPort-046-793-033 |
0.64 |
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C(C)C2[C@@H]13
|
|
| MCULE-4588166214 |
0.64 |
[H]C12CCC=CC1(C)C1CCC3(C)CCCC3C1CC2
|
|
| MCULE-7038834056 |
0.64 |
C1CC2CC2CC=1
|
|
| MCULE-4790521220 |
0.64 |
C1CC2C(C)(C)C2CC=1
|
|
| MCULE-8327062145 |
0.64 |
[C@@]123[C@H](C)CC[C@@]1([H])C([C@H](C(C)=CC2)C3)(C)C
|
|
| MCULE-3170768327 |
0.64 |
C1CC2(C)CC2(C)CC=1
|
|
| MCULE-8579585536 |
0.64 |
C12(C)C=CC1(C)CCC2
|
|
| MCULE-4870239930 |
0.64 |
C1CC2C(=C3C4CCCCC34)C2CC1
|
|
| MCULE-4227190152 |
0.64 |
C1(C(C)C)C2([H])CCCC2([H])C=1
|
|
| MCULE-8864677718 |
0.64 |
C12(C(C1)CCC=C2C)C
|
|
| MCULE-2811504753 |
0.64 |
C1C2C(C)(C)C2CC=C1C
|
|
| MCULE-9345089020 |
0.64 |
C1CC2C(C)(C)C3C(C)=CCC2(C3)C1C
|
|
| MCULE-1070537748 |
0.64 |
[H]C12CCCC1(C)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
|
|
| MCULE-5051897823 |
0.64 |
C12C(C)(C)CCCC1(C)C1CCC3(C)CCCC3C1CC=2
|
|
| MCULE-8214516455 |
0.64 |
C12CCCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
|
|
| MCULE-8444624529 |
0.64 |
C12C=CC1(C)CCC2C
|
|
| MCULE-9087397344 |
0.64 |
C1(C(C)(C)C)C2([H])CCCC2([H])C=1
|
|
| MCULE-9758894215 |
0.64 |
C12(C)CC=CC1(C)C1CC2CC1
|
|
| MCULE-3644985415 |
0.64 |
[H]C12CCCC1(C)C1CC=C3C4(C(C)C(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
|
|
| MCULE-7201475262 |
0.64 |
C12C(C1CC=CC2)(C)[H]
|
|
| MCULE-8068904503 |
0.64 |
C12CCCC31CC(C=C3)C2
|
|
| MCULE-1265880444 |
0.64 |
C12CC31CCCCCCCCCCCCC(=CC3)C2
|
|
| MCULE-5503440064 |
0.64 |
[H]C12C(C)(C)CC=CC1(C)C1CCC3(C4(C(C(C)C)CCC4(C)CCC3(C)C1(C)CC2)[H])[H]
|
|
| MCULE-6446802470 |
0.64 |
C/C(/C)=C\CC[C@H](C)CCCC
|
|
| MCULE-4910794167 |
0.64 |
C1CC/C(=C(\C)/C)/CCCC1
|
|
| MCULE-6595813039 |
0.64 |
C(C)CC=CCCCC=CCCC
|
|
| MCULE-1797171190 |
0.64 |
C1CCC(/C=C(\C)/C)CCCCCCCC1
|
|
| MCULE-1540616337 |
0.64 |
O=C1CCC2C1(C)CCC1C2CC=C2C=CCCC21C
|
|
| MCULE-8464063744 |
0.64 |
C12C3C4C5C1C(C1C5C5C4C(CC5C1=CC#N)C3=CC#N)C=C2
|
|
| MCULE-9275795320 |
0.64 |
C12C3C1C=CC(C=C3)C2=C
|
|
| MCULE-1753855464 |
0.64 |
C1C(C)=CCC(C(=C)CCO)C1
|
|
| MolPort-039-339-170 |
0.64 |
C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1
|
|
| MolPort-046-703-281 |
0.63 |
CC(C)=CCC\C(C)=C1/CCC(C)=CC1
|
|
| MolPort-009-755-106 |
0.63 |
CC(C)=CCC\C(C)=C1\CCC(C)=CC1
|
|
| MCULE-8934614845 |
0.63 |
C12CC=CCC=1CC1CC=CCC=1C2
|
|
| MCULE-2550946347 |
0.63 |
C1(CCC(=CC1)C)=C(C)CC/C=C(\C)/C
|
|
| MCULE-9244587135 |
0.63 |
C12C3C=CC1C(=C)C1C=CC(C21)C3=C
|
|
| MCULE-8350979001 |
0.63 |
C1C2(CC2)CC=CC1
|
|
| MCULE-5169368691 |
0.63 |
C1=C2CC(C=C[CH+]C=C2)=CC=C1
|
|
| MCULE-6598443660 |
0.63 |
C12C=C3C(C4CCC3(C)C(C4)(C)C)C=1C1CCC2(C)C1(C)C
|
|
| MCULE-6700300018 |
0.63 |
C1=C2CC(C=C([CH+]C(=C2)C)C)=CC=C1
|
|
| MolPort-020-000-959 |
0.63 |
C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-002-801-694 |
0.63 |
CC1(C)C2CCC1(C)C1=C2C2C3CCC(C)(C2=C1)C(C)(C)C3
|
|
| MolPort-006-069-097 |
0.63 |
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-006-836-008 |
0.63 |
C1C2CC3CC1CC(C2)C3=C1C=CC=C1
|
|
| MolPort-003-926-678 |
0.63 |
C\C=C1/CC2CC1C=C2
|
|
| MolPort-046-761-446 |
0.62 |
[2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
|
|
| MolPort-046-683-754 |
0.62 |
C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
|
|
| MCULE-9990082723 |
0.62 |
O=C1C(C)(C)C(=C)C(C)=C(C)C1(C)C
|
|
| MCULE-8297630539 |
0.62 |
CC(CN)=CC1C2C=CC(CC2)C1
|
|
| MCULE-1862642605 |
0.62 |
CC(C(C)=CC1C2C=CC(CC2)C1)N
|
|
| MCULE-9702700663 |
0.62 |
C(CC(CCC(C)(C)C=CCCC(C)=CCO)=C)=C(C)CC/C=C(\C)/C
|
|
| MCULE-1881125601 |
0.62 |
C(C)(C)(C)C1CC/C(/CC1)=C(/C)\C
|
|
| MCULE-7235150219 |
0.62 |
CC1C(C)CC(CC/C=C(\C)/C)CC1
|
|
| MCULE-2586633782 |
0.62 |
CC1CC(CC/C=C(\C)/C)CC(C)C1
|
|
| MCULE-4236330435 |
0.62 |
C1(C)(CC/C=C(\C)/C)CC(C)(C)CCC1
|
|
| MCULE-9302425722 |
0.62 |
C1(CCCCC=1C)C
|
|
| MCULE-6343106785 |
0.62 |
C1C(C)CC=CC1
|
|
| MCULE-4493898127 |
0.62 |
CCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](/C=C/C)CC2)CC1
|
|
| MCULE-2470398758 |
0.62 |
CC(CC1CC=CC1)=C
|
|
| MCULE-9906398840 |
0.62 |
CC(C(CC1CC=CC1)C)C
|
|
| MCULE-4811265406 |
0.62 |
C12(CC3CC(CC(C3)C1)C2)C=CC
|
|
| MCULE-8312535251 |
0.62 |
C1C(CC)C=CC1
|
|
| MCULE-4539359338 |
0.62 |
C1(C)(C)C(C)CC=C1C
|
|
| MCULE-5453347985 |
0.62 |
CC1CCC(CC/C=C(\C)/C)CC1
|
|
| MCULE-5344153967 |
0.62 |
C/C(/C)=C/CCC1CCC1
|
|
| MCULE-3936525776 |
0.62 |
C/C(/C)=C/CCC1CCCC1
|
|
| MCULE-9648779204 |
0.62 |
CC1CC(CC/C=C(\C)/C)CCC1
|
|
| MCULE-9491766453 |
0.62 |
C1CC(C)(C)C(C)(C)CC=1
|
|
| MCULE-7175243615 |
0.62 |
CC(CCC1CC=CC1)C
|
|
| MolPort-046-790-431 |
0.62 |
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C=C1
|
|
| MolPort-044-723-758 |
0.62 |
CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C=CC
|
|
| MolPort-002-501-977 |
0.62 |
CC1CCC=CC1
|
|
| MolPort-023-331-697 |
0.62 |
CCC[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)\C=C\C
|
|
| MolPort-001-766-377 |
0.62 |
CC=C1C2CC3CC(C2)CC1C3
|
|
| MolPort-008-154-491 |
0.62 |
C\C=C\C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-001-770-056 |
0.62 |
CC1=CCCCC1
|
|
| MolPort-046-684-541 |
0.62 |
C\C=C\C1CCCCC1
|
|
| MolPort-035-681-340 |
0.62 |
CC1(C)CCC=CC1
|
|
| MolPort-046-793-307 |
0.61 |
CC(CCO)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-003-850-149 |
0.61 |
C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O
|
|
| MolPort-006-147-910 |
0.61 |
C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O
|
|
| MolPort-046-792-960 |
0.61 |
CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-046-766-301 |
0.61 |
CC(CCO)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-046-764-724 |
0.61 |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C\C(\C)=[13CH]/[13CH]=O
|
|
| MolPort-046-690-898 |
0.61 |
C\C(=C\CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-046-689-523 |
0.61 |
CC(CCO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-046-689-465 |
0.61 |
C\C(\C=C/C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)=C/C=O
|
|
| MolPort-046-689-251 |
0.61 |
C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)C=CCC1(C)C
|
|
| MolPort-046-689-250 |
0.61 |
C/C(/C=C/C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)=C\C=O
|
|
| MolPort-001-783-113 |
0.61 |
CC(=O)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-046-417-791 |
0.61 |
[2H]C([2H])([2H])C(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-046-416-834 |
0.61 |
CC(=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-001-785-962 |
0.61 |
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-044-723-808 |
0.61 |
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O
|
|
| MolPort-003-848-223 |
0.61 |
C\C(=C/CO)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-006-167-480 |
0.61 |
CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
|
|
| MolPort-002-580-278 |
0.61 |
CC(O)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-003-846-754 |
0.61 |
CC(CCO)\C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C
|
|
| MolPort-003-846-185 |
0.61 |
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C=CCC1(C)C
|
|
| MolPort-003-850-150 |
0.61 |
C/C(/C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O
|
|
| MolPort-003-850-158 |
0.61 |
C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
|
|
| MolPort-003-850-152 |
0.61 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O
|
|
| MolPort-004-288-372 |
0.61 |
CC(=O)C=CC1=C(C)CCCC1(C)C
|
|
| MolPort-003-850-151 |
0.61 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O
|
|
| MCULE-1026598573 |
0.61 |
C12C=CC3C=CC(C13)CC2
|
|
| MCULE-9819804922 |
0.61 |
C12C/C(=C(\C)/C)/CCC(C)C=1CCC2C
|
|
| MCULE-5135553681 |
0.61 |
C1(C(C)(C)CCCC=1C)/C=C/C(C)=O
|
|
| MCULE-7587888866 |
0.61 |
C1(C(C)(C)CCCC=1C)C=CC(C)O
|
|
| MCULE-2360393105 |
0.61 |
CCC(C=C1C2(CCC2)C(N)C1)=C
|
|
| MCULE-9858142669 |
0.61 |
CC(=O)/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C
|
|
| MCULE-3640052920 |
0.61 |
C1(C(C)(C)CCCC=1C)C=CC(C)=O
|
|
| MCULE-4951251283 |
0.61 |
C1(C(C)(C)CCCC=1C)/C=C/C(/C)=C/C=C/C(/C)=C/CO
|
|
| MCULE-4648495082 |
0.61 |
CC(C=C1C2(CCC2)C(N)C1)=C
|
|
| MCULE-1539700449 |
0.61 |
C1(C=CC(C)=CC=CC(C)=CC=O)=C(C)CCCC1(C)C
|
|
| MCULE-5383443260 |
0.61 |
O=C/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCCC=1C)\C)\C
|
|
| MCULE-6524977881 |
0.61 |
C1(C(C)(C)CCCC=1C)C=CC(C)=CC=CC(C)=CCO
|
|
| MCULE-4406036090 |
0.61 |
O=C1CCC2C(=C1)C=CC1(C)C2CC=CC1
|
|
| MCULE-3891394680 |
0.61 |
C(=O)C=CC=CCCCCCC
|
|
| MCULE-5968711412 |
0.61 |
C(=CC)C=CCCCCCCCO
|
|
| MCULE-5354591097 |
0.61 |
C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1
|
|
| MCULE-8597939572 |
0.61 |
C1(/CC(C)(C)CC(C)=C/1)=C(\C#N)/C#N
|
|
| MCULE-2501481360 |
0.61 |
C12(C)CCCC(C)(N)C1CC=C1C=C(C(C)C)CCC12
|
|
| MolPort-039-242-498 |
0.61 |
CC1(C)[C@H]2CC[C@]1(C)C=C2
|
|
| MolPort-046-792-834 |
0.61 |
[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Rh+3].CC1[C-](C)C(C)C(C)=C1C.CC1[C-](C)C(C)C(C)=C1C
|
|
| MolPort-006-126-055 |
0.61 |
CCCCCC\C=C\C=C\C=O
|
|
| MolPort-002-511-094 |
0.61 |
C\C=C\C=C\CCCCCCCO
|
|
| MolPort-003-925-047 |
0.61 |
CCCCCCC\C=C\C=C\C=O
|
|
| MolPort-035-706-243 |
0.61 |
CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
|
|
| MolPort-006-122-649 |
0.61 |
CCCCCCC\C=C\C=C\CO
|
|
| MolPort-003-710-031 |
0.61 |
CC1=CC(CC(C)(C)C1)=C(C#N)C#N
|
|
| MolPort-002-699-353 |
0.60 |
C1C2C1C1C3C(C=CC33CC3)C2C11CC1
|
|
| MolPort-003-925-918 |
0.60 |
CCCCC\C=C\C
|
|
| MolPort-003-932-579 |
0.60 |
CC(C)=C1CCC(C)=CC1
|
|
| MCULE-3289147180 |
0.60 |
C12C=CC3C(C4C5C(C6C=CC5C5C7C8C9C%10C=CC(C8C7C=CC65)C=CC%109)C14)C3C=C2
|
|
| MCULE-2283525781 |
0.60 |
NC1CC(=CC2C3C=CC(CC3)C2)C1
|
|
| MCULE-6955331732 |
0.60 |
C1=CC2C=CC3C(C)=CC1C23
|
|
| MCULE-5933168234 |
0.60 |
C12(CC1)C1C3C(C4(C=C3)CC4)C2C2CC12
|
|
| MCULE-4117888672 |
0.60 |
CCC(C)=CC(C)CC(C)C
|
|
| MCULE-3359375571 |
0.60 |
CCC(CC)C=CC=C
|
|
| MCULE-3559735470 |
0.60 |
C12CC=CCC=1CC(C)=C(C)C2
|
|
| MCULE-9355450236 |
0.60 |
C12C=CC3C4C=CC4C1C3C=C2
|
|
| MCULE-7970794651 |
0.60 |
C(C(=C)C)CC=CC
|
|
| MCULE-6071433920 |
0.60 |
C1CC2CC=CCC=2CCCC1
|
|
| MCULE-1032745782 |
0.60 |
C1=CC2CC1C1C(=O)C2C=CC=C1
|
|
