| MCULE-9976634952 |
0.97 |
C12CC(=C(C)CC=1C(=O)C1CC(C)=C(C)CC=1C2=O)C
|
|
| MCULE-8288730380 |
0.92 |
C1C(=O)C2C3CCC(C(C)=C3)C=2C(=O)C=1
|
|
| MolPort-002-915-854 |
0.89 |
CC1=CC(=O)C(CCCC2=CC(=O)C=CC2=O)=CC1=O
|
|
| MolPort-001-766-682 |
0.89 |
CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C
|
|
| MCULE-3533996454 |
0.89 |
C(=CC(CCC=C)=O)C1C(C)(C)CCC=C1C
|
|
| MCULE-6490731029 |
0.89 |
C1(CC)=CC(C=C(CC)C1=O)=O
|
|
| MCULE-5214801115 |
0.89 |
C1(C(C)(C)C)=CC(=O)C=C(C(C)(C)C)C1=O
|
|
| MCULE-5817153512 |
0.89 |
C1(=O)C(C(C)C)=CC(=O)C=C1C(C)C
|
|
| MCULE-9625917775 |
0.89 |
C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MolPort-000-141-928 |
0.89 |
CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
|
|
| MolPort-002-904-388 |
0.89 |
CCC1=CC(=O)C=C(CC)C1=O
|
|
| MolPort-023-279-166 |
0.89 |
CC(C)C1=CC(=O)C=C(C(C)C)C1=O
|
|
| MCULE-1863648617 |
0.88 |
C1[C@@]2(C)C(C(=O)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
|
|
| MCULE-2395006256 |
0.88 |
O=C1C=C[C@@]2(C)C(C(C[C@@]3([C@@]2(CC[C@@]2(C)[C@]3(CCC2=O)[H])[H])[H])=O)=C1
|
|
| MolPort-028-750-136 |
0.88 |
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MCULE-8485600766 |
0.87 |
O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
|
|
| MCULE-3468058170 |
0.87 |
C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-2300065923 |
0.87 |
C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
|
|
| MCULE-9582195314 |
0.87 |
C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MolPort-002-915-848 |
0.87 |
O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
|
|
| MolPort-002-915-935 |
0.87 |
CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-002-915-936 |
0.87 |
CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-002-549-449 |
0.86 |
CC(C)(C)C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C
|
|
| MolPort-003-891-724 |
0.86 |
CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC
|
|
| MCULE-5877894053 |
0.86 |
C(C)(C)(CC)C1C(C=C(C(C=1)=O)C(CC)(C)C)=O
|
|
| MCULE-8076747851 |
0.86 |
O=C1C(C)(CC=C)C(C)C=C1CC=C
|
|
| MCULE-6987941164 |
0.86 |
C1(C(C)(C)C)=CC2(CCCC2)C=C(C(C)(C)C)C1=O
|
|
| MCULE-3036443253 |
0.86 |
O=C1C(C)=C(C)C(CCC2(C)C(C)=C(C)C(C(C)=C2C)=O)(C)C(C)=C1C
|
|
| MCULE-2259130970 |
0.84 |
C1(C(C)(C)C)=CC2(CC2)C=C(C(C)(C)C)C1=O
|
|
| MCULE-4464721001 |
0.84 |
C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1
|
|
| MolPort-002-549-671 |
0.84 |
CC(C)(C)C1=CC2(CC2)C=C(C1=O)C(C)(C)C
|
|
| MolPort-001-817-082 |
0.83 |
CC1=CC(=O)C(=CC1=O)C(C)(C)C
|
|
| MolPort-001-779-768 |
0.83 |
CC(C)C1=CC(=O)C(C)=CC1=O
|
|
| MolPort-000-861-080 |
0.83 |
CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
|
|
| MolPort-003-932-638 |
0.83 |
CC(C)(C)C1=CC(=O)C=CC1=O
|
|
| MCULE-8682863565 |
0.83 |
C1(C(C)(C)C)C(=O)C=CC(=O)C=1
|
|
| MCULE-5433016497 |
0.83 |
C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C(C)(C)C
|
|
| MCULE-5207883585 |
0.83 |
C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C
|
|
| MCULE-9899033250 |
0.83 |
C1(=O)C(C)=CC(=O)C(C(C)C)=C1
|
|
| MCULE-7093893764 |
0.83 |
C1=CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
|
|
| MCULE-7363650943 |
0.83 |
O=C1C=CC2(C)C3C(CC4(C)C(CCC4C3CCC2=C1)=O)=O
|
|
| MolPort-002-879-590 |
0.83 |
CC1=CC(=O)C2CC1C(C)=CC2=O
|
|
| MCULE-3225619905 |
0.82 |
C1(C(=O)C=CC(=O)C=1)C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=CCC[C@@H]12)C
|
|
| MCULE-1076344451 |
0.82 |
[C@]12(C)C(=O)C=C[C@@]1(C)C=CC2=O
|
|
| MCULE-8490201471 |
0.82 |
C1(CC=CCC)C(=O)CCC=1C
|
|
| MCULE-2459463798 |
0.82 |
C1(C/C=C\CC)C(=O)CCC=1C
|
|
| MCULE-1952094862 |
0.82 |
O=C1CCC(C)=C1C/C=C/CC
|
|
| MolPort-002-514-318 |
0.82 |
CC\C=C\CC1=C(C)CCC1=O
|
|
| MolPort-003-929-044 |
0.82 |
CC\C=C/CC1=C(C)CCC1=O
|
|
| MolPort-002-894-025 |
0.82 |
C[C@]12C=CC(=O)[C@@]1(C)C(=O)C=C2
|
|
| MolPort-006-111-428 |
0.82 |
CCC=CCC1=C(C)CCC1=O
|
|
| MolPort-000-830-001 |
0.81 |
C\C(C=O)=C/CC1=C(C)CCCC1(C)C
|
|
| MolPort-000-145-914 |
0.81 |
CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
|
|
| MolPort-002-511-910 |
0.81 |
C\C(C=O)=C\CC1=C(C)CCCC1(C)C
|
|
| MCULE-7072600101 |
0.81 |
C1(C(C)=CCCC1(C)C)C=C(C)C(=O)C
|
|
| MCULE-6918609415 |
0.81 |
C1(C(C)(C)CCCC=1C)CC=C(C)C=O
|
|
| MolPort-035-706-199 |
0.80 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
|
|
| MolPort-002-915-849 |
0.80 |
O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
|
|
| MolPort-002-894-037 |
0.80 |
CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MCULE-1426909577 |
0.80 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
|
|
| MCULE-8302753934 |
0.80 |
C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
|
|
| MCULE-4203969651 |
0.80 |
C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
|
|
| MCULE-9344488087 |
0.80 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
|
|
| MCULE-1263670923 |
0.80 |
O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21
|
|
| MCULE-3980671232 |
0.80 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-7782959791 |
0.80 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-2836304314 |
0.80 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MolPort-001-740-071 |
0.80 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
|
|
| MolPort-002-690-624 |
0.80 |
C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3CCC2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-003-666-031 |
0.80 |
C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
|
|
| MolPort-002-524-060 |
0.80 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-196-627 |
0.80 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-000-739-273 |
0.80 |
CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
|
|
| MolPort-002-506-962 |
0.80 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-039-338-609 |
0.79 |
CC1CC(=O)C(CC=C1CCC(C)=O)=C(C)C
|
|
| MCULE-4904757465 |
0.79 |
C1(CCC(=O)C)C(C)CC(=O)/C(=C(\C)/C)/CC=1
|
|
| MCULE-6393727075 |
0.79 |
C12C[C@@H](CC[C@@]1(C)C=CC(=O)C=2C)C(C)=C
|
|
| MolPort-000-719-686 |
0.78 |
CC(=O)\C=C\C1C(C)=CCCC1(C)C
|
|
| MolPort-004-288-323 |
0.78 |
CC(=O)C=CC1C(C)=CCCC1(C)C
|
|
| MCULE-4768757628 |
0.78 |
CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1
|
|
| MolPort-002-507-391 |
0.77 |
C\C=C\C(=O)C1=C(C)CCCC1(C)C
|
|
| MolPort-001-834-902 |
0.77 |
O=C1C(CCCC1=C1CCCCC1)=C1CCCCC1
|
|
| MolPort-035-705-911 |
0.76 |
CC(=O)\C=C\[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
|
|
| MolPort-046-765-581 |
0.76 |
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC=C2C(=O)C=O
|
|
| MCULE-5070166283 |
0.75 |
C1(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-1201927354 |
0.75 |
C1(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-4042007732 |
0.75 |
C1(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-2256614888 |
0.75 |
C1(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O
|
|
| MolPort-046-589-601 |
0.75 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-039-144-999 |
0.73 |
CC(C)=C1C\C=C(C)\CCC=C(C)CC1=O
|
|
| MolPort-039-052-323 |
0.73 |
CC(C)=C1C\C=C(C)/CC\C=C(C)/CC1=O
|
|
| MolPort-046-762-450 |
0.73 |
CC(C)=C1C\C=C(C)\CC\C=C(C)/CC1=O
|
|
| MolPort-020-005-710 |
0.73 |
CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=O
|
|
| MCULE-6153734702 |
0.73 |
C1C(C)=CC/C(=C(/C)\C)/C(=O)CC(C)=CC1
|
|
| MCULE-6776633195 |
0.73 |
C/C(=C1\C(=O)CC(C)=CCCC(C)=CC\1)/C
|
|
| MCULE-7573937296 |
0.73 |
C/C(=C1/C(=O)CC(C)=CCCC(C)=CC/1)/C
|
|
| MCULE-5288068491 |
0.73 |
C1(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=C1
|
|
| MCULE-1551509118 |
0.73 |
O=C1C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C1(C)C)=O)=O)=O)=O)=O)=O)=O
|
|
| MCULE-6264302119 |
0.73 |
C1(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=CC(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=C1)=O)=O
|
|
| MolPort-001-561-429 |
0.72 |
CC1=CC(=O)C(C)=C(C)C1=O
|
|
| MolPort-001-779-967 |
0.72 |
CC1=C(C)C(=O)C(C)=C(C)C1=O
|
|
| MolPort-003-940-973 |
0.72 |
CC1=CC(=O)C=C(C)C1=O
|
|
| MCULE-4547070816 |
0.72 |
C1(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=C1
|
|
| MCULE-6489078705 |
0.72 |
C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
|
|
| MCULE-3357025005 |
0.72 |
C1(C)C(=O)C(C)=CC(=O)C=1C
|
|
| MCULE-6957386653 |
0.72 |
O=C1C(C)=C(C)C(C)(C)C(C)=C1C
|
|
| MCULE-4487129132 |
0.72 |
C1(C)=CC(=O)C=C(C)C1=O
|
|
| MCULE-4663973266 |
0.72 |
C1(C)C(=O)C(C)=C(C(=O)C=1C)C
|
|
| MCULE-3778053676 |
0.72 |
C1(=O)C=CCCCC=C1
|
|
| MCULE-6900112057 |
0.72 |
C1CCCC2C(=O)CC(C)C=2CCCCCC1
|
|
| MCULE-2031804178 |
0.72 |
C1(CCC(C)=O)=C(C)CCC1C(C)=C
|
|
| MCULE-5633160153 |
0.72 |
O=C1C=C(CC2CC=CC2)CC1
|
|
| MolPort-002-508-961 |
0.72 |
CC(=O)CCC1=C(C)CCC1C(C)=C
|
|
| MolPort-038-900-529 |
0.72 |
C=CC(=O)C1=CCCC1
|
|
| MolPort-019-879-284 |
0.71 |
CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)C
|
|
| MolPort-042-665-810 |
0.71 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
|
|
| MolPort-001-767-980 |
0.71 |
CC1C(C)C(=O)C(C)=C1C
|
|
| MCULE-3333037285 |
0.71 |
C1(C(C)(C)C)=CC(=C)C=C(C(C)(C)C)C1=O
|
|
| MCULE-4240902847 |
0.71 |
C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
|
|
| MCULE-9392152255 |
0.71 |
CC1C(=O)C(C)=C(C)C1C
|
|
| MolPort-023-220-687 |
0.70 |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
|
|
| MolPort-006-118-882 |
0.70 |
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
|
|
| MCULE-3588728893 |
0.70 |
C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
|
|
| MCULE-9439225491 |
0.70 |
CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
|
|
| MCULE-4159649248 |
0.70 |
C(C1CC=C(CC=CC(C)C)CC1)=O
|
|
| MCULE-5633538128 |
0.70 |
C12CCCC1(C)CC(=O)C=2C
|
|
| MCULE-8371261917 |
0.70 |
CC1C(=O)C2C(C3C=CC2C3)C(=O)C=1
|
|
| MCULE-1445062394 |
0.70 |
C12(C)CC(C3C(C=CC(=O)C31)=O)C(C)=C2
|
|
| MCULE-9696156059 |
0.70 |
C12CC(C3C(=O)C=CC(=O)C13)C1=C2C2CC1CC2
|
|
| MCULE-1981040221 |
0.70 |
C1CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
|
|
| MCULE-6858813637 |
0.70 |
C1=CC2CC1C1C(=O)C=CC(=O)C21
|
|
| MCULE-2422100047 |
0.70 |
C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
|
|
| MolPort-003-179-188 |
0.70 |
CC1=CC2(C)CC1C1C2C(=O)C=CC1=O
|
|
| MolPort-020-006-184 |
0.70 |
CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C
|
|
| MolPort-016-634-464 |
0.70 |
CC1=CC(=O)C2C3CC(C=C3)C2C1=O
|
|
| MolPort-005-945-021 |
0.70 |
CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
|
|
| MolPort-020-172-332 |
0.69 |
CC1=C(C)C(=O)C=CC1=O
|
|
| MolPort-001-787-708 |
0.69 |
CC1=CC(=O)C(C)=CC1=O
|
|
| MolPort-001-559-210 |
0.69 |
CC1=CC(=O)C=CC1=O
|
|
| MolPort-002-537-951 |
0.69 |
CC(C)CC(=O)\C=C\CC(C)CC(C)(C)C
|
|
| MolPort-000-837-794 |
0.69 |
CCCCCCC1=CCCC1=O
|
|
| MolPort-003-925-033 |
0.69 |
CCCCCC1=C(C)CCC1=O
|
|
| MolPort-001-790-818 |
0.69 |
CCCCCC1=CCCC1=O
|
|
| MolPort-046-793-097 |
0.69 |
CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-023-299-007 |
0.69 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
|
|
| MCULE-9650878933 |
0.69 |
C1(C)C(=O)C=CC(=O)C=1
|
|
| MCULE-7669056375 |
0.69 |
C1(C)C(=O)C=CC(=O)C=1C
|
|
| MCULE-8961312077 |
0.69 |
C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
|
|
| MCULE-3530749400 |
0.69 |
C1C(=O)C(C)=CC(=O)C=1C
|
|
| MCULE-5887629699 |
0.69 |
C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@]([H])(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
|
|
| MCULE-1287633510 |
0.69 |
C1(CCCCCC)=CCCC1=O
|
|
| MCULE-2807643168 |
0.69 |
C1(C)CC(=O)C=C1CCCCC
|
|
| MCULE-2643922279 |
0.69 |
C1(CCCCC)=CCCC1=O
|
|
| MCULE-6930955162 |
0.69 |
C1(CCCCC)C(=O)CCC=1C
|
|
| MCULE-4315440442 |
0.69 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MolPort-019-939-283 |
0.68 |
C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1
|
|
| MolPort-044-561-264 |
0.68 |
C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C/CC1
|
|
| MolPort-016-579-165 |
0.68 |
O=C\C1=C\CCCCCC1
|
|
| MolPort-002-537-209 |
0.68 |
CC(=O)C1=C/CCCCCCCCCC\1
|
|
| MolPort-002-507-612 |
0.68 |
CC(=C)[C@@H]1CC=C(C)C(=O)C1
|
|
| MolPort-002-746-923 |
0.68 |
CC(=O)C1CC=C(C)C(=O)C1
|
|
| MolPort-002-506-958 |
0.68 |
CC(=O)C1C(=O)C=C(C)CC1(C)C
|
|
| MolPort-035-706-207 |
0.68 |
CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
|
|
| MolPort-002-506-968 |
0.68 |
CC(=C)C1CC=C(C)C(=O)C1
|
|
| MolPort-001-769-671 |
0.68 |
CC(=C)[C@H]1CC=C(C)C(=O)C1
|
|
| MolPort-046-600-627 |
0.68 |
CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
|
|
| MolPort-046-693-081 |
0.68 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@H]2O
|
|
| MolPort-002-506-910 |
0.68 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-761-808 |
0.68 |
[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
|
|
| MolPort-002-508-334 |
0.68 |
C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-832-305 |
0.68 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-046-764-827 |
0.68 |
[2H]C1=C[C@]2(C)[C@@H]3[C@@H](CCC2=C([2H])C1=O)[C@@H]1CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]1(C)C([2H])([2H])C3=O
|
|
| MolPort-046-690-441 |
0.68 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-765-995 |
0.68 |
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]2(O)[C@@H](O)CO
|
|
| MolPort-046-690-130 |
0.68 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO
|
|
| MolPort-046-766-227 |
0.68 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-000-730-361 |
0.68 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-915-853 |
0.68 |
BrC1=CC(=O)C(CCCCCC2=CC(=O)C(Br)=CC2=O)=CC1=O
|
|
| MolPort-006-113-124 |
0.68 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-001-740-041 |
0.68 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-196-989 |
0.68 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-002-915-845 |
0.68 |
BrC1=CC(=O)C(CCCCCCC2=CC(=O)C(Br)=CC2=O)=CC1=O
|
|
| MolPort-046-764-997 |
0.68 |
[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])C(=O)[C@]21[2H]
|
|
| MCULE-8716463141 |
0.68 |
C1(C)(C)CC=C(C)CCC=C(C)C(=O)C=C1
|
|
| MCULE-3433190262 |
0.68 |
C1(CCCCCCCCCCC=1)C(C)=O
|
|
| MCULE-3035020921 |
0.68 |
C1CCCCC=C(C=O)C1
|
|
| MCULE-9444397237 |
0.68 |
C1CCC(=O)C=CCCC1
|
|
| MCULE-7861636306 |
0.68 |
C1(=O)C[C@@H](CC=C1C)C(C)=C
|
|
| MCULE-8099197121 |
0.68 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-7452592467 |
0.68 |
C1(=O)C[C@@H](CC=C1C)C(C)=C
|
|
| MCULE-3857929176 |
0.68 |
O=C1C=C(CC2C3C=CC(CC3)C2)CC1
|
|
| MCULE-9740579162 |
0.68 |
C1(C(C)=O)CC(=O)C(C)=CC1
|
|
| MCULE-1638755617 |
0.68 |
O=C(C)C1C(C=C(C)CC1)=O
|
|
| MCULE-6744252540 |
0.68 |
C1(=O)CC(CC=C1C)C(C)=C
|
|
| MCULE-7241385729 |
0.68 |
C1(=O)C=C(C)CC(C)(C)C1C(C)=O
|
|
| MCULE-1451736151 |
0.68 |
C1(C(=CC[C@H](C(C)=C)C1)C)=O
|
|
| MCULE-2344630269 |
0.68 |
C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-1812806265 |
0.68 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
|
|
| MCULE-2855337345 |
0.68 |
C[C@@]12[C@](O)(C)CC[C@H]1[C@@H]1CCC3[C@@](C)([C@H]1CC2)C=CC(=O)C=3
|
|
| MCULE-1941485534 |
0.68 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
|
|
| MCULE-9490867225 |
0.68 |
C12(C)C=CC(C=C1CCC1([H])C2([H])CCC2(C1([H])CCC2(C)O)C)=O
|
|
| MCULE-1070952436 |
0.68 |
C1=CC2C3C4C5C6(C(=O)C=CC(=O)C26C4C=C5)C13
|
|
| MCULE-5049403375 |
0.68 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2=C
|
|
| MCULE-7518217448 |
0.68 |
[C@]12(C)C=CC(C=C1C(C[C@@]1([H])[C@]3([C@@](C)(C(CC3)=O)CC[C@@]12[H])[H])=C)=O
|
|
| MCULE-9427838644 |
0.68 |
C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-4729751323 |
0.68 |
C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
|
|
| MCULE-4625091681 |
0.68 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-5895474063 |
0.68 |
C1(CCCCCC2=CC(C(Br)=CC2=O)=O)=CC(C(Br)=CC1=O)=O
|
|
| MCULE-3352767740 |
0.68 |
C1(CCCCCCC2=CC(C(Br)=CC2=O)=O)=CC(C(Br)=CC1=O)=O
|
|
| MCULE-7939545317 |
0.68 |
O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
|
|
| MCULE-2603291254 |
0.68 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-6729235185 |
0.68 |
C1(C)(C)C(CC=CC(=O)CC)CC=C1C
|
|
| MCULE-7179807320 |
0.68 |
O=C1C=CC(C)C1(CC=C)C
|
|
| MCULE-2320815624 |
0.68 |
C1CC2C(=O)CC(C)C=2CC1
|
|
| MCULE-1175519180 |
0.68 |
C1C2C(=O)CCC=2CCC1
|
|
| MCULE-4594101266 |
0.68 |
C1CC2(C)CC(=O)C=C2C1
|
|
| MCULE-4374730563 |
0.68 |
O=C1CC2CCCCC2=C1
|
|
| MCULE-8180565288 |
0.68 |
O=C1C=C(CC2C3CCC(CC3)C2)CC1
|
|
| MCULE-3625394348 |
0.68 |
O=C1C=C(CC2CC=CC2)CCCC1
|
|
| MCULE-3343421278 |
0.68 |
O=C1C=C(CC2CC=CCC2)CCC1
|
|
| MCULE-4928649557 |
0.68 |
C1CC2C(=O)CC(C)(C)C=2CC1
|
|
| MCULE-8557116567 |
0.68 |
C12([H])C(C)CCC1([H])C(C)=CC2=O
|
|
| MCULE-5881773205 |
0.68 |
CC1CC(CC2CC=CCC2)=CC(=O)C1
|
|
| MCULE-3650003593 |
0.68 |
O=C1C=C(CC2CC=CCC2)CCCC1
|
|
| MolPort-000-738-187 |
0.68 |
CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C
|
|
| MolPort-000-834-214 |
0.68 |
CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCCC12C
|
|
| MolPort-046-646-770 |
0.67 |
O=C1CC2(CCCCCC2)C=C1
|
|
| MolPort-046-674-170 |
0.67 |
O=C1CC2(CCC2)C=C1
|
|
| MolPort-003-913-461 |
0.67 |
O=C1CC2CCCCC2=C1
|
|
| MolPort-046-203-126 |
0.67 |
O=C1CC2(CCCCC2)C=C1
|
|
| MolPort-022-257-993 |
0.67 |
O=C1CC2CCCCCC2=C1
|
|
| MolPort-046-508-800 |
0.67 |
O=C1CC2(CCCC2)C=C1
|
|
| MolPort-035-705-838 |
0.67 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
|
|
| MCULE-3773650223 |
0.67 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-4531694532 |
0.67 |
C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12
|
|
| MCULE-7594121913 |
0.67 |
C1(CCCCC1=O)=CCCCCCC
|
|
| MCULE-3936888193 |
0.67 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
|
|
| MCULE-9704056914 |
0.67 |
O=C(C1CCCCCCC=1)C1C2(CC2)C1
|
|
| MCULE-2037987115 |
0.67 |
C1(C(C)(C)C)=CC(C)(C(Cl)Cl)C=C(C(C)(C)C)C1=O
|
|
| MCULE-7494382495 |
0.67 |
C1(C(C)C=CCC1(C)C)C(=O)C=CC
|
|
| MCULE-8040115902 |
0.67 |
C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
|
|
| MCULE-8149754044 |
0.67 |
C(C1=CC(C)CCC1)=O
|
|
| MCULE-3854801059 |
0.67 |
C1(CCCC)C(=O)CCC=1C
|
|
| MCULE-2243940623 |
0.67 |
C1CC2CC2CCC(=O)C=1
|
|
| MCULE-4187355503 |
0.67 |
CC1CC(C(C2CCCCCCC=2)=O)C1
|
|
| MCULE-8414068028 |
0.67 |
C1(CCCCCC=1)C=O
|
|
| MCULE-8934614845 |
0.67 |
C12CC=CCC=1CC1CC=CCC=1C2
|
|
| MCULE-7025674174 |
0.67 |
C(C=CC(=O)C)CCCCC
|
|
| MCULE-4948873814 |
0.67 |
C1(CCCCC1=O)=CC(CCCC)CC
|
|
| MCULE-7819289735 |
0.67 |
C1(CCCC(C)=C1C=O)(C)C
|
|
| MCULE-7592737892 |
0.67 |
C1(C(=O)O)C2C=CC(C2)C=1C(=O)O
|
|
| MCULE-5466118884 |
0.67 |
C1C(CCCCC=1C)=O
|
|
| MCULE-2488250148 |
0.67 |
C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21
|
|
| MCULE-5281461360 |
0.67 |
C1(=O)C=CCCCC1
|
|
| MolPort-020-858-906 |
0.67 |
O=CC1=CCCCCC1
|
|
| MolPort-019-997-258 |
0.67 |
CC(C)C1CC=C(C)C(=O)C1
|
|
| MolPort-001-767-082 |
0.67 |
CCCCC1=C(C)CCC1=O
|
|
| MolPort-002-706-878 |
0.67 |
CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-046-765-572 |
0.67 |
C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)CC(=O)[C@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-000-788-382 |
0.67 |
CC(C)(C)C1=CC(C)(C=C(C1=O)C(C)(C)C)C(Cl)Cl
|
|
| MolPort-009-018-232 |
0.67 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O
|
|
| MolPort-009-018-222 |
0.67 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-000-811-412 |
0.67 |
CCCCC(CC)\C=C1\CCCCC1=O
|
|
| MolPort-003-846-085 |
0.67 |
[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
|
|
| MolPort-004-831-228 |
0.67 |
C\C=C\C(=O)C1C(C)C=CCC1(C)C
|
|
| MolPort-003-926-743 |
0.67 |
O=C1CCCCC=C1
|
|
| MolPort-046-792-980 |
0.67 |
CCCCCC\C=C1\CCCC1=O
|
|
| MolPort-009-018-240 |
0.67 |
CCCCC(C)(C)C(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-003-931-189 |
0.67 |
CC1=CC(C)(C)CCC1=O
|
|
| MolPort-001-794-308 |
0.67 |
CC1=C(C=O)C(C)(C)CCC1
|
|
| MolPort-000-722-317 |
0.67 |
CCCCCC\C=C1/CCCCC1=O
|
|
| MolPort-039-139-033 |
0.67 |
CCCCC[C@@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-001-833-109 |
0.67 |
OC(=O)C1=C(C2CC1C=C2)C(O)=O
|
|
| MolPort-001-817-194 |
0.67 |
CCCCC(CC)\C=C1/CCCCC1=O
|
|
| MolPort-046-147-057 |
0.67 |
CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
|
|
| MolPort-046-690-127 |
0.67 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC=C2C(=O)CO
|
|
| MolPort-001-787-631 |
0.67 |
CC(C)=C1CCC(C)=CC1=O
|
|
| MolPort-046-692-934 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-702-932 |
0.67 |
CCCCC1=CCCC1=O
|
|
| MCULE-9253654000 |
0.66 |
C1=CC2CC1C1C(=O)C=CC12
|
|
| MCULE-2527215493 |
0.66 |
C1=CC2C=CC3C(=O)CC1C23
|
|
| MCULE-9124171672 |
0.66 |
C1=CC2CCC1C1C3C4C(=O)CC(=O)C4C(C3)C2=1
|
|
| MCULE-2093338891 |
0.66 |
C1(=O)/C(=C2\CCCC\2)/CC/C/1=C1\CCCC\1
|
|
| MCULE-1776810440 |
0.66 |
C=C(C)[C@H]1CCC(C=O)=CC1
|
|
| MCULE-2280015640 |
0.66 |
C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
|
|
| MCULE-2913420738 |
0.66 |
C(C)(=C)C1([H])CCC(=CC1)C=O
|
|
| MCULE-4900297288 |
0.66 |
CC1CC(CC2CC=CC2)=CC(=O)C1
|
|
| MCULE-6708433496 |
0.66 |
C12CCC1C(=O)C=C2
|
|
| MCULE-8690639813 |
0.66 |
[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
|
|
| MCULE-3394759576 |
0.66 |
C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
|
|
| MCULE-8519555544 |
0.66 |
C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
|
|
| MCULE-6738536824 |
0.66 |
O=C1C(C)=C2C(CCCC2(C)CC1)=O
|
|
| MCULE-7541137822 |
0.66 |
O=C1C=C(C2(C)C(C)C(C)C12C)C
|
|
| MCULE-1327216619 |
0.66 |
CC1(CC(CC2CC=CC2)=CC(=O)C1)C
|
|
| MCULE-9637050612 |
0.66 |
O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
|
|
| MCULE-9092365556 |
0.66 |
C(=O)C(CCCC)=CCCCCC
|
|
| MCULE-7619150531 |
0.66 |
CCCCC/C=C(\C=O)/CCCC
|
|
| MCULE-2583415836 |
0.66 |
CC(CCC=C(CCC1C2(C)C(C(CCC2)(C)C)CC=C1C)C)=O
|
|
| MCULE-5632142516 |
0.66 |
C(C(CCC=C(C)CC/C=C(\C)/C)=O)=CC(C)C
|
|
| MolPort-039-338-695 |
0.66 |
CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
|
|
| MolPort-002-720-719 |
0.66 |
O=C1C(CCC1=C1CCCC1)=C1CCCC1
|
|
| MolPort-002-506-993 |
0.66 |
CC(=C)[C@H]1CCC(C=O)=CC1
|
|
| MolPort-002-507-478 |
0.66 |
C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
|
|
| MolPort-009-018-267 |
0.66 |
CCCCCC(=O)\C=C/C=O
|
|
| MolPort-027-836-194 |
0.66 |
CCCCC\C=C(\CCCC)C=O
|
|
| MolPort-044-388-915 |
0.66 |
CC(=O)CCC=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
|
|
| MolPort-044-623-130 |
0.66 |
CC(C)CC1=CC(C)CC1=O
|
|
| MolPort-002-509-695 |
0.66 |
CC(=O)CC\C=C(\C)CCC1C(C)=CCC2C(C)(C)CCC[C@]12C
|
|
| MolPort-000-733-785 |
0.66 |
CC(C)\C=C\C(=O)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-044-183-171 |
0.65 |
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-003-939-181 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-138-993 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-138-874 |
0.65 |
CCCCC[C@@](C)(O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-046-689-994 |
0.65 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-690-081 |
0.65 |
C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-039-052-627 |
0.65 |
CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-002-509-201 |
0.65 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-002-070-296 |
0.65 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-004-960-127 |
0.65 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-002-911-134 |
0.65 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
|
|
| MCULE-2576853438 |
0.65 |
C1C(=O)C=CC(=O)C=1 |
|
| MCULE-9478310264 |
0.65 |
C1=C[C@]2(C(=CC1=O)CCC1[C@]3([H])CC[C@](O)(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
|
|
| MCULE-9797468470 |
0.65 |
CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
|
|
| MCULE-7258934827 |
0.65 |
C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
|
|
| MCULE-4060282567 |
0.65 |
O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
|
|
| MCULE-6238783971 |
0.65 |
[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-7455827757 |
0.65 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-5461214891 |
0.65 |
[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
|
|
| MCULE-6481056517 |
0.65 |
CC(C(C1CCCC=1)=O)C1CCC1
|
|
| MCULE-9290289108 |
0.65 |
C1(C)C(=O)C=CC(C(C)C)C1
|
|
| MCULE-9551990259 |
0.65 |
CC1=CC(=O)CC(CC)C1
|
|
| MCULE-1068654284 |
0.65 |
CC(C(C1CCCCC=1)=O)C1CCC1
|
|
| MCULE-2011218266 |
0.65 |
CC(C(C1CCCCCC=1)=O)C1CCC1
|
|
| MCULE-9392368882 |
0.65 |
C1=CC(CCC1(CCC)CCC)=O
|
|
| MCULE-6989137991 |
0.65 |
C1C(=O)CCC2([H])CC2([H])C=1
|
|
| MCULE-1887138472 |
0.65 |
O=C1C(C)C(CC)C(C)C(CC)=C1
|
|
| MCULE-5102413219 |
0.65 |
O=C(C1CCCCCC=1)C1C2(CC2)C1
|
|
| MCULE-9861301536 |
0.65 |
C1C(CC(CC=1C)CCC)=O
|
|
| MCULE-2850571893 |
0.65 |
O=C(C1CCCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-4387476121 |
0.65 |
C1C2CC=C(C)C(=O)C1C2(C)C
|
|
| MCULE-7695357226 |
0.65 |
O=C(C1CCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-2750952157 |
0.65 |
O=C(C1CCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-9894286158 |
0.65 |
O=C(C1CCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-1578387226 |
0.65 |
O=C(C1CCCC=1)CC1CC=CC1
|
|
| MCULE-8226891771 |
0.65 |
CC(C1(C(C2CCCCCC=2)=O)CC1)C
|
|
| MCULE-6569061785 |
0.65 |
C1C2C(C1CC=C2C=O)(C)C
|
|
| MCULE-6661177248 |
0.65 |
CC1CC(C(C2CCCCCC=2)=O)C1
|
|
| MCULE-7999733772 |
0.65 |
C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
|
|
| MCULE-7174333293 |
0.65 |
C1C(C[C@@H](CC=1C)CCC)=O
|
|
| MCULE-7700432494 |
0.65 |
O=C(C1CCCCC=1)C1C2(CC2)C1
|
|
| MCULE-1903986936 |
0.65 |
CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
|
|
| MCULE-8800846446 |
0.65 |
CC(C1C(C(C2CCCC=2)=O)C1)(C)C
|
|
| MCULE-4612727757 |
0.65 |
C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
|
|
| MCULE-9977163649 |
0.65 |
O=C1CC(C)(C)CC(C=O)=C1
|
|
| MCULE-4785640334 |
0.65 |
CC1CC(C(C2CCCC=2)=O)C1
|
|
| MCULE-5924936253 |
0.65 |
CC1CC(C(C2CCCCC=2)=O)C1
|
|
| MCULE-6302987664 |
0.65 |
O=C(C1CCCC=1)C1C(C2CC2)C1
|
|
| MCULE-4408401941 |
0.65 |
CCC1C(=CC(C)=O)CCCCC1
|
|
| MCULE-3424177321 |
0.65 |
CC(C=CC1CCCCC1)=O
|
|
| MCULE-2429728192 |
0.65 |
CC(C=CC1C2CC3CC(C2)CC1C3)=O
|
|
| MCULE-9308723337 |
0.65 |
CC(C1C(=CC(C)=O)CCCCC1)C
|
|
| MCULE-4919875478 |
0.65 |
CC1C(=CC(C)=O)CCCCC1
|
|
| MCULE-8997101380 |
0.65 |
CC(C=C(CC1CCCCC1)C)=O
|
|
| MCULE-6006770933 |
0.65 |
CC(C=C(CC1CCCC1)C)=O
|
|
| MCULE-7184104452 |
0.65 |
C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
|
|
| MolPort-002-506-951 |
0.65 |
CCC[C@@H]1CC(C)=CC(=O)C1
|
|
| MolPort-002-512-272 |
0.65 |
O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
|
|
| MolPort-046-158-507 |
0.65 |
C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
|
|
| MolPort-002-513-687 |
0.65 |
CC1=C(CC2C(CCCC2(C)C)C1)C=O
|
|
| MolPort-006-110-398 |
0.65 |
CC(C)C1CCC(C)=CC1=O
|
|
| MolPort-001-794-306 |
0.65 |
CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
|
|
| MolPort-002-509-716 |
0.65 |
O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
|
|
| MolPort-006-115-641 |
0.65 |
CCCC1CC(C)=CC(=O)C1
|
|
| MolPort-022-367-867 |
0.65 |
CC1(C)CC(=O)C=C(C1)C=O
|
|
| MolPort-001-790-618 |
0.65 |
CC1(C)C2CC1C(C=O)=CC2
|
|
| MolPort-013-791-457 |
0.65 |
O=C(C1CCCCC1)C1=CCCCC1
|
|
| MolPort-002-506-978 |
0.65 |
CC1CCC2C(C)(C)CCCC2(C)C1CC\C(C)=C/CCC(C)=O
|
|
| MolPort-039-242-760 |
0.65 |
CC(=O)\C=C\C1CCCCC1
|
|
| MolPort-006-118-512 |
0.65 |
CC(=O)C=CC1CCCCC1
|
|
| MolPort-044-727-244 |
0.64 |
CC1(C)CCCC(=C)C11CCC(C=O)=CC1
|
|
| MolPort-035-679-062 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-023-298-997 |
0.64 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-046-691-486 |
0.64 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-426-227 |
0.64 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O.C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)O
|
|
| MolPort-046-158-440 |
0.64 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
|
|
| MolPort-046-196-430 |
0.64 |
OC(=O)C1=CC2CCC1C=C2
|
|
| MolPort-046-792-981 |
0.64 |
CCCCC\C=C1\CCCC1=O
|
|
| MolPort-000-787-941 |
0.64 |
CC1CC(C)=CC(C)C1\C=C\C(C)=O
|
|
| MolPort-001-781-465 |
0.64 |
CC(=O)C1=CCCCC1
|
|
| MolPort-028-603-498 |
0.64 |
CC(C)C\C=C1\CCCCC1=O
|
|
| MolPort-000-716-292 |
0.64 |
CC1CC(C)=CCC1\C=C\C(C)=O
|
|
| MolPort-002-510-763 |
0.64 |
CC(=O)C1C(=O)C=C(C)C1=O
|
|
| MolPort-046-025-087 |
0.64 |
CCC1=CCCCC1=O
|
|
| MolPort-029-511-203 |
0.64 |
O=C1CCC2=C1CCC2
|
|
| MolPort-008-348-849 |
0.64 |
CC(C)C\C=C1/CCCCC1=O
|
|
| MolPort-046-774-142 |
0.64 |
CCC1CC=CC(=O)C1
|
|
| MolPort-044-755-231 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
|
|
| MCULE-1385714254 |
0.64 |
C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
|
|
| MCULE-1235419293 |
0.64 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
|
|
| MCULE-8706542409 |
0.64 |
C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
|
|
| MCULE-8192482534 |
0.64 |
O=C1C=CC2(C)C(C1)CC=CC2
|
|
| MCULE-7535047148 |
0.64 |
CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
|
|
| MCULE-4775236455 |
0.64 |
CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
|
|
| MCULE-2318177037 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
|
|
| MCULE-4541255966 |
0.64 |
C(=CC(C)=O)C1C(C)CC(=CC1C)C
|
|
| MCULE-3393820020 |
0.64 |
C1(C(C)=O)C(=O)C(=CC1=O)C
|
|
| MCULE-4428185983 |
0.64 |
C1(CCCCC1=O)=CCC(C)C
|
|
| MCULE-6769530046 |
0.64 |
C(C1CC=C(CC1C)C)=CC(C)=O
|
|
| MCULE-6881426714 |
0.64 |
O=C1CCCCC1=CCCCC
|
|
| MCULE-2588670002 |
0.64 |
C1(CCCC=1)C(CCC)=O
|
|
| MCULE-9958324589 |
0.64 |
C1CCCC=C1C(=O)C
|
|
| MCULE-5040560976 |
0.64 |
O=C1C(=CC(CC)CC)CCCC1
|
|
| MCULE-5676927364 |
0.64 |
C(=O)(CC(C)C)C1CCCC=1
|
|
| MCULE-2644888783 |
0.64 |
C(=O)(CC(C)C)C1CCCCC=1
|
|
| MCULE-7375388626 |
0.64 |
C1(CCCCC=1)C(CCC)=O
|
|
| MCULE-5034253909 |
0.64 |
C(C(C)C)(=O)C1CCCCC=1
|
|
| MCULE-9285433930 |
0.64 |
C1(CCCCC=1)C(CC)=O
|
|
| MCULE-2475543698 |
0.64 |
C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
|
|
| MCULE-3559735470 |
0.64 |
C12CC=CCC=1CC(C)=C(C)C2
|
|
| MCULE-2447853309 |
0.64 |
C(=CC(=O)C)CCCCC
|
|
| MCULE-6071433920 |
0.64 |
C1CC2CC=CCC=2CCCC1
|
|
| MCULE-7437222135 |
0.64 |
C1=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C/C/1=C/C=C1/C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C/1
|
|
| MCULE-6282449015 |
0.64 |
C1(C(C)(C)C)=C/C(/C=C(C(C)(C)C)C1=O)=C1\C=C(C(C)(C)C)C(C(C(C)(C)C)=C\1)=O
|
|
| MolPort-002-507-367 |
0.64 |
CC(=C)CCC\C(C)=C/C=O
|
|
| MolPort-003-928-807 |
0.64 |
CCCCC\C=C\C(C)=O
|
|
| MolPort-001-769-700 |
0.64 |
CCCCC\C=C\CCC=O
|
|
| MolPort-027-717-889 |
0.64 |
CC(=C)CCCC(C)=CC=O
|
|
| MolPort-001-787-706 |
0.64 |
CC(C)(C)C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
|
|
| MolPort-001-780-129 |
0.64 |
CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
|
|
| MolPort-003-935-694 |
0.64 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)CC[C@H]12
|
|
| MolPort-002-506-988 |
0.63 |
CC1=CC(=O)CC(C)(C)C1=O
|
|
| MolPort-002-511-291 |
0.63 |
CC(C)C1CC(=O)C=C2CCCCC12
|
|
| MolPort-046-774-258 |
0.63 |
O=C1CCC2(CCCCCC2)C=C1
|
|
| MolPort-001-790-211 |
0.63 |
O=C1CCC2CCCCC2=C1
|
|
| MolPort-000-146-079 |
0.63 |
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-038-386-020 |
0.63 |
CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
|
|
| MolPort-020-173-604 |
0.63 |
O=C1CCC2(CCCCC2)C=C1
|
|
| MolPort-044-832-300 |
0.63 |
CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
|
|
| MolPort-039-052-668 |
0.63 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-019-992-002 |
0.63 |
O=C1CCC2(CCCC2)C=C1
|
|
| MolPort-045-998-145 |
0.63 |
O=C1C=CC(=O)C11CCCCC1
|
|
| MolPort-000-706-765 |
0.63 |
CC1=CC(=O)C2CC1C2(C)C
|
|
| MolPort-002-510-272 |
0.63 |
CC(=O)\C=C\CC1[C@H]2CC[C@H](C2)C1(C)C
|
|
| MolPort-003-922-566 |
0.63 |
O=C1CCCCC\C=C/CC1
|
|
| MolPort-027-641-344 |
0.63 |
CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
|
|
| MolPort-023-274-284 |
0.63 |
CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
|
|
| MCULE-7818217503 |
0.63 |
C1CCC(=O)CCCC=1
|
|
| MCULE-5149400241 |
0.63 |
CC(C=C1C(C2CC2)CCCC1)=O
|
|
| MCULE-1122672664 |
0.63 |
CC(C=C1C2(CCCC2)CC1)=O
|
|
| MCULE-7503158705 |
0.63 |
C1=CC2C=CC3C(C(C)(C(C)=O)C)=CC1C23
|
|
| MCULE-3167433007 |
0.63 |
O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(C)=O
|
|
| MCULE-2528813222 |
0.63 |
C1=C[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C[C@@H](CO)C2=CC1=O
|
|
| MCULE-7781678672 |
0.63 |
C12CCCCC1C(CC(=O)C=2)C(C)C
|
|
| MCULE-3614421214 |
0.63 |
C1(C=O)=C(C)CCC(C(C)C)C1=O
|
|
| MCULE-1142475318 |
0.63 |
C1(C)(C)C2CC1C(=CC2=O)C
|
|
| MCULE-9382333306 |
0.63 |
C1(C)(C)CC(=O)C2=C(C)CCC12
|
|
| MCULE-1342617339 |
0.63 |
C1CC2C3CCCCC3=CC(=O)C2CC1
|
|
| MCULE-8599123114 |
0.63 |
C12(C)CCCCC1=C(C)C(=O)CC2
|
|
| MCULE-1925425954 |
0.63 |
C12CCCCC1CCC(=O)C=2
|
|
| MCULE-1323244269 |
0.63 |
O=C(C1CCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-9326244207 |
0.63 |
O=C(C1CCCC=1)C1CCC2(CC2)CC1
|
|
| MCULE-5531656338 |
0.63 |
CC1C(=O)C(C)(C)CC(=O)C=1
|
|
| MCULE-1319324374 |
0.63 |
CC1CC=C(C(CC2CC=CC2)=O)CC1
|
|
| MCULE-5631441050 |
0.63 |
C12CCCCC1(C)CCC(=O)C=2
|
|
| MCULE-9790788139 |
0.63 |
O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
|
|
| MCULE-1282304829 |
0.63 |
C/C(/C)=C/CCC1CCCCC(=O)C=1
|
|
| MCULE-3926742898 |
0.63 |
O=C1C=CC2(CCCCC2)CC1
|
|
| MCULE-1048579708 |
0.63 |
C12(C)CCCC(C)(C)C1=CC(=O)CC2
|
|
| MCULE-8950557153 |
0.63 |
C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
|
|
| MCULE-6708778199 |
0.63 |
CC(/C=C1\CCC2(CC2)CC\1)=O
|
|
| MCULE-7704943892 |
0.63 |
C1(CC)CC(=O)CCCCC=C1
|
|
| MCULE-1556522580 |
0.63 |
C1(=O)CCC=CCCCCC1
|
|
| MCULE-9709274473 |
0.63 |
CC(C=C1C2(CCCCC2)CC1)=O
|
|
| MolPort-009-019-049 |
0.63 |
CCCCC\C=C/C\C=C/C\C=C/CCCC\C=C/CCC(O)=O
|
|
| MolPort-044-561-988 |
0.63 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
|
|
| MolPort-046-761-807 |
0.63 |
C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-005-943-432 |
0.63 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-764-888 |
0.63 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-038-386-562 |
0.63 |
CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
|
|
| MolPort-006-112-811 |
0.63 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-022-056-577 |
0.63 |
CCC1=CC(=O)CCC1
|
|
| MolPort-023-197-958 |
0.63 |
CCC1(C)CCC(=O)C=C1
|
|
| MolPort-000-701-433 |
0.63 |
CC1=CC(=O)CC(C)(C)C1
|
|
| MolPort-001-781-500 |
0.63 |
CC1CC(C)=CC(=O)C1
|
|
| MolPort-027-949-819 |
0.63 |
CCC1(CC)CCC(=O)C=C1
|
|
| MolPort-006-111-488 |
0.63 |
CC(C)C1CCC(=O)C=C1
|
|
| MolPort-046-646-759 |
0.63 |
O=C1C=CCC11CCCCC1
|
|
| MolPort-044-615-516 |
0.63 |
CC(C)(C)C1CCC(=O)C=C1
|
|
| MolPort-044-623-113 |
0.63 |
CCC1CCC(=O)C=C1
|
|
| MolPort-046-766-229 |
0.62 |
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-044-567-536 |
0.62 |
C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-006-120-169 |
0.62 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-525-374 |
0.62 |
C[C@]12CCC3[C@@H](C=CC4=CC(=O)C=C[C@]34C)C1CCC2=O
|
|
| MolPort-046-596-321 |
0.62 |
C[C@]12CCC3C(C=CC4=CC(=O)C=C[C@]34C)C1CCC2=O
|
|
| MolPort-042-694-438 |
0.62 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-706-538 |
0.62 |
C\C(=C\C(=O)C1CC1)C1CC1
|
|
| MolPort-003-801-744 |
0.62 |
CC(=O)CCC=C1CCCCC1
|
|
| MolPort-009-681-959 |
0.62 |
CC(=O)C=C1CCCCC1
|
|
| MolPort-021-804-783 |
0.62 |
CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O
|
|
| MolPort-039-338-595 |
0.62 |
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O
|
|
| MCULE-1064684832 |
0.62 |
C1(CCCC)C(=O)CC(C)(C)CC=1C
|
|
| MCULE-7561172842 |
0.62 |
C1=CC2C3C4C(C(C(=O)C)C13)C=CC4C2C(=O)C
|
|
| MCULE-5564101474 |
0.62 |
C1C(CC(CC=1C)(C)C)=O
|
|
| MCULE-1027304648 |
0.62 |
O=C(/C=C1\CCCCC\1)CC1CC=CC1
|
|
| MCULE-7439135180 |
0.62 |
CC(C1(C(C2CCCC=2)=O)CC1)C
|
|
| MCULE-4195941884 |
0.62 |
CC(C1(C(C2CCCCC=2)=O)CC1)C
|
|
| MCULE-4391727742 |
0.62 |
C1C(CC(CC=1C)C)=O
|
|
| MCULE-8808699122 |
0.62 |
[C@]12(C)C=CC(C=C1C=C[C@@]1([H])C3[C@@](C)(C(CC3)=O)CCC12)=O
|
|
| MCULE-7065925222 |
0.62 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
|
|
| MCULE-6914354313 |
0.62 |
C1=CC2C=CC3C(C(O)=O)=CC1C23
|
|
| MCULE-4783223540 |
0.62 |
C12CCC=1CC=CC2
|
|
| MCULE-6049642880 |
0.62 |
C1C2=C(CCCC2)CC=C1
|
|
| MCULE-6700194065 |
0.62 |
C(/C(=O)C1CC1)=C(\C)/C1CC1
|
|
| MCULE-9306627394 |
0.62 |
C12CCC=1CC1CCC=1C2
|
|
| MCULE-8669270506 |
0.62 |
C(C(=O)C1CC1)=C(C)C1CC1
|
|
| MCULE-1076445196 |
0.62 |
C1(/CCCCC/1)=C/CCC(C)=O
|
|
| MCULE-5855122450 |
0.62 |
C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
|
|
| MCULE-4110286960 |
0.62 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
|
|
| MCULE-7221367574 |
0.62 |
O=C(C12CCCC1C2)C1CCCC=1
|
|
| MCULE-5119094209 |
0.62 |
O=C(C12CCCC1C2)C1CCCCC=1
|
|
| MCULE-6739386631 |
0.62 |
O=C(C1CCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-4876387221 |
0.62 |
O=C(C1CCCCC=1)CC1CC2C(C2)C1
|
|
| MCULE-3893717167 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
|
|
| MCULE-3132312011 |
0.62 |
O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
|
|
| MCULE-7380885765 |
0.62 |
O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
|
|
| MCULE-2754957448 |
0.62 |
O=C(C1CCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-7458844213 |
0.62 |
O=C(C1CCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-3175746942 |
0.62 |
C12(C)C(=O)C=CC(CC1)C2(C)C
|
|
| MCULE-3386101177 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
|
|
| MCULE-8108304567 |
0.62 |
C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
|
|
| MCULE-5300332080 |
0.62 |
O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-7384114075 |
0.62 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
|
|
| MCULE-8220979425 |
0.62 |
CC1CC(CC/C=C(\C)/C)=CC(=O)C1
|
|
| MCULE-1373086617 |
0.62 |
O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-6538426298 |
0.62 |
O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
|
|
| MCULE-8902385122 |
0.62 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-8777632906 |
0.62 |
O=C(C1CCCC=1)CC1CC2C(C2)C1
|
|
| MCULE-2014220888 |
0.62 |
O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
|
|
| MCULE-3526435182 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-8417547529 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-5238788396 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-6041020600 |
0.62 |
C12C(=O)C=CC(C1)CC2
|
|
| MCULE-3425686308 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-6340945460 |
0.62 |
O=C(C12CCCCC1C2)C1CCCCC=1
|
|
| MCULE-9661302470 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3125023758 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
|
|
| MCULE-8316425336 |
0.62 |
O=C(C12CCCCC1C2)C1CCCC=1
|
|
| MCULE-2160116138 |
0.62 |
O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
|
|
| MCULE-9795083418 |
0.62 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
|
|
| MCULE-5865441641 |
0.62 |
O=C(C1CCCC=1)CC1CC2C(C2)CC1
|
|
| MCULE-1428417742 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-8841120984 |
0.62 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
|
|
| MCULE-1020785874 |
0.62 |
O=C(C12CCCC1C2)C1CCCCCC=1
|
|
| MCULE-4324141268 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-4303966960 |
0.62 |
C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
|
|
| MCULE-7132823730 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-1731235356 |
0.62 |
O=C(C1CCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-6171460049 |
0.62 |
C1(C(=O)C)C(=O)C(CC2C(=O)C(C(=O)C)=C(O)C(C)(C)C=2O)=C(O)C(C)(C)C=1O
|
|
| MCULE-5372093989 |
0.62 |
C1(C(=O)C)C(=O)C(CC2C(=O)C(C(=O)CC)=C(O)C(C)(C)C=2O)=C(O)C(C)(C)C=1O
|
|
| MCULE-6164124469 |
0.62 |
C(C)(C)(C)C1=CC(C=C(C)C1=O)=C1C=C(C(=O)C(C(C)(C)C)=C1)C
|
|
| MCULE-5376882383 |
0.62 |
C[C@@H]1C2=CC(C=C[C@]2(C)[C@@H]2[C@H]([C@H]3[C@](C)(C[C@@H]2O)[C@@](O)(C(CO)=O)CC3)C1)=O
|
|
| MCULE-4407705760 |
0.62 |
CC(C=CC1CC2C(C2)CC1)=O
|
|
| MCULE-4494327817 |
0.62 |
C1(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)C(C)CC4C3CCC2=C1
|
|
| MCULE-5764697777 |
0.62 |
C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
|
|
| MCULE-9576334626 |
0.62 |
C(C1CC(C)=CC(C)C1C)=O
|
|
| MCULE-3489362645 |
0.62 |
CC(C=C1CC2CC(CC2)C1)=O
|
|
| MCULE-6519818800 |
0.62 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
|
|
| MCULE-9819044866 |
0.62 |
C1([C@H](C)CCC([C@@H](CC=CC(C)(C)C1)C)=O)=O
|
|
| MCULE-5803858923 |
0.62 |
CC(C=CC1CC2C(C2)C1)=O
|
|
| MCULE-8934838036 |
0.62 |
C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
|
|
| MCULE-5124770449 |
0.62 |
C1(=O)CCC(C)(C)C=C1
|
|
| MCULE-3774162320 |
0.62 |
C1(=O)CC(C)(C)CC=C1
|
|
| MCULE-4497275799 |
0.62 |
C1(CCCCC1=O)=CC(C)C
|
|
| MCULE-8536214911 |
0.62 |
C1C(=O)C2([H])CC2([H])C=CCC1
|
|
| MCULE-6245248136 |
0.62 |
C1(C)=CCCCC1=O
|
|
| MCULE-1811364024 |
0.62 |
C1(C)(C)C(=O)C=CCC1
|
|
| MolPort-000-730-189 |
0.62 |
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-039-052-425 |
0.62 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-002-509-923 |
0.62 |
CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
|
|
| MolPort-002-509-205 |
0.62 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
|
|
| MolPort-003-941-496 |
0.62 |
C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-652-024 |
0.62 |
CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-002-511-077 |
0.62 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-002-506-935 |
0.62 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-001-785-926 |
0.62 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-596-417 |
0.62 |
CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-001-794-643 |
0.62 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-688-566 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
|
|
| MolPort-000-146-137 |
0.62 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-690-449 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
|
|
| MolPort-044-728-843 |
0.62 |
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
|
|
| MolPort-035-706-382 |
0.62 |
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
|
|
| MolPort-023-274-272 |
0.62 |
CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
|
|
| MolPort-023-299-008 |
0.62 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
|
|
| MolPort-001-740-063 |
0.62 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-892-348 |
0.62 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-849-979 |
0.62 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-003-847-259 |
0.62 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-046-765-458 |
0.62 |
CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-019-940-196 |
0.62 |
CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
|
|
| MolPort-019-990-215 |
0.62 |
CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-019-994-121 |
0.62 |
CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-035-757-683 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-023-276-307 |
0.62 |
CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-023-298-999 |
0.62 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-046-793-263 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
|
|
| MolPort-002-517-271 |
0.62 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
|
|
| MolPort-003-958-950 |
0.62 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-002-527-029 |
0.62 |
CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-524-345 |
0.62 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-526-176 |
0.62 |
CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-338-207 |
0.62 |
CCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O
|
|
| MolPort-046-691-151 |
0.62 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-035-706-495 |
0.62 |
CC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O
|
|
| MolPort-004-964-914 |
0.62 |
CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-019-994-547 |
0.62 |
CC1=C\C(C=C(C1=O)C(C)(C)C)=C1\C=C(C)C(=O)C(=C1)C(C)(C)C
|
|
| MolPort-003-721-207 |
0.62 |
CC(=O)CCC1=C(C)CCCC1(C)C
|
|
| MolPort-009-680-198 |
0.62 |
CC1(C)CC=CC(=O)C1
|
|
| MolPort-009-198-792 |
0.62 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-042-620-286 |
0.62 |
CC1CCC(=O)C=C1
|
|
| MolPort-035-668-920 |
0.62 |
CC12CC(O)[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-766-235 |
0.62 |
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@@H]21)C=O
|
|
| MolPort-035-924-389 |
0.62 |
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
|
|
| MolPort-001-794-216 |
0.62 |
O=CC1=CCCCC1
|
|
| MolPort-046-761-478 |
0.62 |
[2H]C1([2H])[C@@]([2H])(O)[C@H]2[C@@H](C[C@H](C)C3=CC(=O)C=C[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-030-042-338 |
0.62 |
CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-002-498-166 |
0.62 |
CC1(C)CCC(=O)C=C1
|
|
| MolPort-000-713-158 |
0.62 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-328-797 |
0.62 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-042-624-003 |
0.62 |
CC1CC=CC(=O)C1
|
|
| MolPort-002-501-996 |
0.62 |
CC(=O)CC1CCC=C1
|
|
| MolPort-000-743-133 |
0.62 |
C[C@H]1CC2C3CC[C@](O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-022-878-843 |
0.62 |
CC1CCC=CC1=O
|
|
| MolPort-001-781-871 |
0.62 |
CC1=CCCCC1=O
|
|
| MolPort-002-507-663 |
0.62 |
CC(C)\C=C1\CCCCC1=O
|
|
| MolPort-002-528-554 |
0.62 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-002-507-147 |
0.62 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-000-719-788 |
0.62 |
CC(C)\C=C1/CCCCC1=O
|
|
| MolPort-002-527-775 |
0.62 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-507-412 |
0.62 |
C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-035-921-888 |
0.62 |
CC1(C)CCC=CC1=O
|
|
| MolPort-046-693-679 |
0.61 |
COC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1=O
|
|
| MolPort-046-761-545 |
0.61 |
[2H]C([2H])([2H])O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-156-334 |
0.61 |
C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)C(O)=C[C@@H]3[C@H]1CC2
|
|
| MolPort-028-610-172 |
0.61 |
CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
|
|
| MolPort-021-804-466 |
0.61 |
C\C(CO)=C1\C\C=C(C)\CC\C=C(C)\CC1=O
|
|
| MolPort-002-513-837 |
0.61 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
|
|
| MolPort-001-792-108 |
0.61 |
CCCCCC\C=C\C=O
|
|
| MolPort-003-929-714 |
0.61 |
CCCCCCC\C=C\C=O
|
|
| MolPort-002-507-004 |
0.61 |
CC(C)CC(=O)\C=C\C(C)C
|
|
| MolPort-006-394-264 |
0.61 |
CCCCCCCCCCCCC\C=C\C=O
|
|
| MolPort-006-114-412 |
0.61 |
CCCCCCC=CC=O
|
|
| MolPort-002-534-267 |
0.61 |
O=CC=C1CCCCCCCCCCC1
|
|
| MolPort-003-960-116 |
0.61 |
CCCCCCCC\C=C\C=O
|
|
| MolPort-009-018-963 |
0.61 |
CCCCCC1=CC(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O
|
|
| MCULE-1945667981 |
0.61 |
C12[C@@](C)(CC[C@@]([H])([C@H](C)C(OC)=O)C1=O)C=CC(=O)C=2C
|
|
| MCULE-3513000253 |
0.61 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3([H])C=C(O)C(=O)C=4)([H])[C@]1([H])CCC2
|
|
| MCULE-9638281061 |
0.61 |
C1=C(C)CC(=O)/C(=C(/CO)\C)/CC=C(C)CC1
|
|
| MCULE-6238507819 |
0.61 |
C1(/CCCCCCCCCCC/1)=C/C=O
|
|
| MCULE-6518810707 |
0.61 |
C1=C(C)CC=CCC=CC1=O
|
|
| MCULE-2062449314 |
0.61 |
C(C(CC(C)C)=O)=CC(C)C
|
|
| MCULE-2358765585 |
0.61 |
O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
|
|
| MCULE-4005939250 |
0.61 |
C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
|
|
| MCULE-8456618809 |
0.61 |
C12(C)CCC(=O)C=C1CCC2=O
|
|
| MCULE-3460481488 |
0.61 |
C1(=O)C=C2[C@](C)(C(=O)CC2)CC1
|
|
| MCULE-5099561644 |
0.61 |
O=C1CCC2=CC(CC[C@@]21C)=O
|
|
| MCULE-9487562113 |
0.61 |
[C@@]12(C)CCC(=O)C=C1CCC2=O
|
|
| MCULE-5299016353 |
0.61 |
C1=C[C@]2(C)CC[C@](C(O)(C)C)(O)CC2=C(C)C1=O
|
|
| MCULE-4184427131 |
0.61 |
C1C(C)(C)C(O)(/C=C/C(=O)C)C(C)=CC1=O
|
|
| MCULE-1026598573 |
0.61 |
C12C=CC3C=CC(C13)CC2
|
|
| MCULE-9819804922 |
0.61 |
C12C/C(=C(\C)/C)/CCC(C)C=1CCC2C
|
|
| MCULE-9587444246 |
0.61 |
C1(=O)CC(C)C(C)=C1
|
|
| MolPort-006-126-764 |
0.61 |
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
|
|
| MolPort-002-904-272 |
0.61 |
CC12CCC(=O)C=C1CCC2=O
|
|
| MolPort-004-959-640 |
0.61 |
C[C@]12CCC(=O)C=C1CCC2=O
|
|
| MolPort-006-666-093 |
0.61 |
C[C@@]12CCC(=O)C=C1CCC2=O
|
|
| MolPort-004-964-596 |
0.61 |
CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-044-183-226 |
0.61 |
CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=C
|
|
| MolPort-039-052-644 |
0.61 |
CC1=C2C[C@@](O)(CC[C@@]2(C)C=CC1=O)C(C)(C)O
|
|
| MolPort-003-985-986 |
0.61 |
CC1CC(=O)C=C1C
|
|
| MolPort-046-594-365 |
0.60 |
CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
|
|
| MolPort-044-723-195 |
0.60 |
C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
| MolPort-039-338-118 |
0.60 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-020-005-765 |
0.60 |
CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
|
|
| MolPort-023-274-322 |
0.60 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)=C
|
|
| MolPort-046-689-244 |
0.60 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-596-375 |
0.60 |
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-765-574 |
0.60 |
C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-027-640-982 |
0.60 |
CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-002-512-842 |
0.60 |
CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
|
|
| MolPort-002-508-612 |
0.60 |
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-559-654 |
0.60 |
CC1CC(C)=CC(C)[C@@H]1C=O
|
|
| MolPort-046-690-974 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]21CO1
|
|
| MolPort-046-690-135 |
0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO
|
|
| MolPort-003-182-646 |
0.60 |
CC1=CC(=O)C(=C(O)C1=O)C(C)(C)C
|
|
| MolPort-000-165-323 |
0.60 |
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
|
|
| MolPort-000-165-324 |
0.60 |
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
|
|
| MolPort-000-165-327 |
0.60 |
CCCC\C=C\CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O
|
|
| MolPort-003-895-994 |
0.60 |
CC(=O)C1CCC(C)=CC1
|
|
| MolPort-000-741-198 |
0.60 |
CC12CCC3C(CCC4=CC(=C)C=CC34C)C1CCC2=O
|
|
| MolPort-046-196-868 |
0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO
|
|
| MolPort-002-509-332 |
0.60 |
C[C@]12CCC3C(CCC4=CC(=C)C=C[C@]34C)C1CCC2=O
|
|
| MolPort-042-620-773 |
0.60 |
CC(=O)C1CCC(C)=C(C)C1
|
|
| MolPort-000-729-513 |
0.60 |
CC1CC2=C(CC1C=O)C(C)(C)CCC2
|
|
| MolPort-001-793-302 |
0.60 |
CC1=CC(=O)CCC1
|
|
| MolPort-000-745-819 |
0.60 |
CC1CC(C)=CC(C)C1C=O
|
|
| MolPort-002-506-991 |
0.60 |
CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2
|
|
| MolPort-046-765-403 |
0.60 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-001-956-819 |
0.60 |
CC1C=C(C)CCC1C=O
|
|
| MCULE-7051793102 |
0.60 |
C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
|
|
| MCULE-6135208734 |
0.60 |
CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
|
|
| MCULE-7083384019 |
0.60 |
CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
|
|
| MCULE-2123440957 |
0.60 |
CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
|
|
| MCULE-5384019764 |
0.60 |
C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
|
|
| MCULE-4601922145 |
0.60 |
C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O
|
|
| MCULE-6566332427 |
0.60 |
C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-9661805986 |
0.60 |
C1CC2[C@]([C@H]([C@@H]1O)C)(C)C=C(C(C)=C)C(=O)C=2
|
|
| MCULE-3987885076 |
0.60 |
C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-1713115618 |
0.60 |
C1=CC2C3C=CC3C1C=C2C(=O)O
|
|
| MCULE-9761993676 |
0.60 |
C1=C(C)CC([C@@H](C=O)C1C)C
|
|
| MCULE-6849313207 |
0.60 |
CC1CCCC(=O)C=1
|
|
| MCULE-6038622816 |
0.60 |
C1(O)C(=O)C(C)=CC(=O)C=1C(C)(C)C
|
|
| MCULE-2137893098 |
0.60 |
C12C(C)(C)CCCC=1CC(C)C(C)(C(C)=O)C2
|
|
| MCULE-7572295123 |
0.60 |
OC1=C(CCCCCCCCCCCCC)C(=O)C(O)=CC1=O
|
|
| MCULE-4047758794 |
0.60 |
O=C1C=C(C)C(C(=C1C(C)(C)C)Cl)=O
|
|
| MCULE-8489443115 |
0.60 |
C12CC1(C)C(=O)CC(C)(C)C=C2
|
|
| MCULE-3149377803 |
0.60 |
C1CC(CCC=1C)C(C)=O
|
|
| MCULE-6735391183 |
0.60 |
C12C(C)(C)CCCC=1CC(C)C(C=O)C2
|
|
| MCULE-1558476181 |
0.60 |
C1(O)C(=O)C(=C(O)C(C=1)=O)CCCCCCCCCCC
|
|
| MCULE-3433336466 |
0.60 |
C1=C(C)CC(C(C=O)C1C)C
|
|
| MCULE-1451098096 |
0.60 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=C
|
|
| MCULE-4834546197 |
0.60 |
C1=C(C)CCC(C=O)C1C
|
|
| MCULE-8544656876 |
0.60 |
C12CC(CC=C(C1)C1CCC3(C)C(/C(/C)=C/C(O)C(C)O)CCC3C1=CC2=O)O
|
|
| MCULE-2176684677 |
0.60 |
O=C1CCC2(C)C(=C1)CC=C1C3CCC(C(C)C(Br)C(Br)C(C)C(C)C)C3(C)CCC21
|
|
| MCULE-3340613267 |
0.60 |
C12(C)C3C(C4C(C)(CC3)C(C(C)=O)CC4)CCC1=CC(=O)CC2=O
|
|
| MCULE-1112024207 |
0.60 |
O=C1C=C(C)C(C=C1Br)=O
|
|
| MCULE-8255659287 |
0.60 |
C1(=O)CCC(CC=C)(C)C=C1
|
|
