| MolPort-000-742-994 |
1 |
COc1ccc2c(OC)c3ccoc3nc2c1OC |
|
| MolPort-001-898-934 |
0.99 |
COc1c(O)ccc2c(OC)c3ccoc3nc12 |
|
| MolPort-002-508-948 |
0.97 |
COc1ccc2c(O)c3ccoc3nc2c1OC |
|
| MolPort-002-535-620 |
0.95 |
CCOc1c2ccoc2nc2c(OC)c(OC)ccc12 |
|
| MolPort-002-112-260 |
0.95 |
COc1cccc2c(OC)c3ccoc3nc12 |
|
| MolPort-046-790-448 |
0.91 |
COc1cc(OC)c2nc3occc3c(OC)c2c1 |
|
| MolPort-046-790-448 |
0.91 |
COc1cc(OC)c2nc3occc3c(OC)c2c1 |
|
| MolPort-002-535-460 |
0.90 |
COc1c2ccoc2nc2c(O)cccc12 |
|
| MCULE-7389041577 |
0.88 |
CC1=C(CC=O)C(C)(C)CCC1 |
|
| MCULE-2325358551 |
0.88 |
C1(C(CC)=O)C(C)=CCC(C(C)C)C1 |
|
| MolPort-002-530-990 |
0.88 |
COc1c(OCC=C)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-5216294937 |
0.85 |
O=C1C(C2CCCCC=2)CCCC1 |
|
| MolPort-002-514-480 |
0.85 |
COc1c(OC(C)=O)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-5173487034 |
0.84 |
C1C2CC(C=CC2=O)C(=O)C=1 |
|
| MCULE-7795288814 |
0.84 |
C1CC(C(C)=O)(C)C=CC1 |
|
| MCULE-2280015640 |
0.83 |
C(C)(=C)[C@@]1([H])CCC(=CC1)C=O |
|
| MCULE-8220979425 |
0.83 |
CC1CC(CC/C=C(\C)/C)=CC(=O)C1 |
|
| MCULE-2913420738 |
0.83 |
C(C)(=C)C1([H])CCC(=CC1)C=O |
|
| MCULE-1776810440 |
0.83 |
C=C(C)[C@H]1CCC(C=O)=CC1 |
|
| MCULE-8108304567 |
0.83 |
C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1 |
|
| MolPort-035-705-673 |
0.83 |
COc1c(OCC=C(C)C)ccc2c(OC)c3ccoc3nc12 |
|
| MolPort-035-705-673 |
0.83 |
COc1c(OCC=C(C)C)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-5354591097 |
0.82 |
C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1 |
|
| MCULE-5421418726 |
0.82 |
C1CC2CCCC=C2C(C)(C)C1=O |
|
| MCULE-9111462538 |
0.82 |
O=C1C(C)(C)C2=CCCCC2(C)CC1 |
|
| MCULE-7495390356 |
0.82 |
C1(=O)C(CCCC1C1CCCCC=1)CC1CCCC(C2CCCCC=2)C1=O |
|
| MCULE-1912400907 |
0.82 |
C12C=C(C)C(CC1C2(C)C)C(C)=O |
|
| MolPort-003-665-620 |
0.82 |
COc1c2ccoc2nc2ccccc12 |
|
| MCULE-4775236455 |
0.81 |
CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C |
|
| MCULE-7083384019 |
0.81 |
CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O |
|
| MCULE-7051793102 |
0.81 |
C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O |
|
| MCULE-5384019764 |
0.81 |
C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C |
|
| MCULE-8192482534 |
0.81 |
O=C1C=CC2(C)C(C1)CC=CC2 |
|
| MCULE-1780261202 |
0.80 |
O=C1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21 |
|
| MCULE-7911152718 |
0.80 |
O=C1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1(C)C |
|
| MCULE-1282304829 |
0.80 |
C/C(/C)=C/CCC1CCCCC(=O)C=1 |
|
| MCULE-1130296851 |
0.80 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C |
|
| MCULE-8255659287 |
0.80 |
C1(=O)CCC(CC=C)(C)C=C1 |
|
| MCULE-2548709406 |
0.79 |
C1=C(C)CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CC1 |
|
| MCULE-6370581589 |
0.79 |
CC=CC(CC1C2C=CC(CC2)C1)=O |
|
| MCULE-2454891288 |
0.79 |
C12(C)CCC(C=C1CCCC2=O)=O |
|
| MCULE-5575338469 |
0.79 |
C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O |
|
| MCULE-3803033906 |
0.79 |
[C@]12(C)CCC(C=C1CCCC2=O)=O |
|
| MCULE-4596748719 |
0.79 |
C12(CCC)CCC(C=C1CCCC2=O)=O |
|
| MCULE-2423386096 |
0.79 |
O=C(C1C2(CC2)C1)CC1CCCC=1 |
|
| MCULE-5394370706 |
0.79 |
C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C |
|
| MCULE-7819289735 |
0.79 |
C1(CCCC(C)=C1C=O)(C)C |
|
| MCULE-8149754044 |
0.79 |
C(C1=CC(C)CCC1)=O |
|
| MCULE-6797719021 |
0.79 |
C1C(=O)CC=C(C(C)C)C1 |
|
| MCULE-7553754590 |
0.79 |
C1(=O)[C@@H](C)CCC=C(C)CC(=O)[C@H](C(C)C)C1 |
|
| MolPort-002-509-157 |
0.79 |
COc1c(OC[C@@H](O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 |
|
| MolPort-002-507-400 |
0.79 |
COc1c(OCC(O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-8543584572 |
0.78 |
C1(=O)C2CC=CC1CC2 |
|
| MCULE-4078078854 |
0.78 |
CC(C(C)=O)CC1CC=CCC1 |
|
| MCULE-4736378843 |
0.78 |
CC(C=O)(CC1CC=CCC1)C |
|
| MCULE-4601922145 |
0.78 |
C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O |
|
| MCULE-7174333293 |
0.77 |
C1C(C[C@@H](CC=1C)CCC)=O |
|
| MCULE-9427917092 |
0.77 |
C1(CCC=C(C)C)CC(C)C(CC=1)C=O |
|
| MCULE-5924936253 |
0.77 |
CC1CC(C(C2CCCCC=2)=O)C1 |
|
| MCULE-8411365540 |
0.77 |
O=C1[C@@H]2C=C[C@@H](CC2)C1 |
|
| MCULE-8275719671 |
0.77 |
C1CC(C)(CCC=1CC/C=C(\C)/C)C=O |
|
| MCULE-5563387154 |
0.77 |
C1=CC2C(=O)C(=O)C1(C(C)(C)C)C1C=CC12 |
|
| MCULE-9290289108 |
0.77 |
C1(C)C(=O)C=CC(C(C)C)C1 |
|
| MCULE-4738347913 |
0.77 |
C1(C(C)(C)C)=CC2(C(C)(C)C)C(=O)C(=O)C1C1C=CC12 |
|
| MCULE-3619310950 |
0.77 |
[C@]12(C=O)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O |
|
| MCULE-8993173727 |
0.77 |
C1(C)(C)C(=O)C2([H])CC2([H])CC=C1 |
|
| MCULE-1887138472 |
0.77 |
O=C1C(C)C(CC)C(C)C(CC)=C1 |
|
| MCULE-9392368882 |
0.77 |
C1=CC(CCC1(CCC)CCC)=O |
|
| MCULE-1919718019 |
0.77 |
C1CC2CCC=C2C(C)(C)C1=O |
|
| MCULE-6569061785 |
0.77 |
C1C2C(C1CC=C2C=O)(C)C |
|
| MCULE-3422795055 |
0.77 |
C1C2CCC(=O)CC=C2C1 |
|
| MCULE-1068654284 |
0.77 |
CC(C(C1CCCCC=1)=O)C1CCC1 |
|
| MCULE-9894286158 |
0.77 |
O=C(C1CCCCC=1)C1CC2(CCC2)C1 |
|
| MCULE-9861301536 |
0.77 |
C1C(CC(CC=1C)CCC)=O |
|
| MCULE-2126006986 |
0.77 |
C1(C)(C(C)=O)CC=C(CC1C)CC/C=C(\C)/C |
|
| MCULE-7700432494 |
0.77 |
O=C(C1CCCCC=1)C1C2(CC2)C1 |
|
| MCULE-4612727757 |
0.77 |
C1[C@@H]2C([C@H]1CC=C2C=O)(C)C |
|
| MCULE-2750952157 |
0.77 |
O=C(C1CCCCC=1)C1C(C2CC2)C1 |
|
| MCULE-9551990259 |
0.77 |
CC1=CC(=O)CC(CC)C1 |
|
| MCULE-1903986936 |
0.77 |
CC(C1C(C(C2CCCCC=2)=O)C1)(C)C |
|
| MCULE-5212919737 |
0.76 |
CC(C(CC1C2C=CC(CC2)C1)=O)=C |
|
| MCULE-9285433930 |
0.76 |
C1(CCCCC=1)C(CC)=O |
|
| MCULE-7908633302 |
0.76 |
CC1C(C=O)(CC2CC=CCC2)CCC1 |
|
| MCULE-2644888783 |
0.76 |
C(=O)(CC(C)C)C1CCCCC=1 |
|
| MCULE-9608185744 |
0.76 |
CC1CC(C=O)(CC2CC=CCC2)CC1 |
|
| MCULE-1031499239 |
0.76 |
CC1(CC(=O)CC1)CC1CC=CCC1 |
|
| MCULE-3486573074 |
0.76 |
CC1C(=O)CCC1CC1CC=CCC1 |
|
| MCULE-7861636306 |
0.76 |
C1(=O)C[C@@H](CC=C1C)C(C)=C |
|
| MCULE-7375388626 |
0.76 |
C1(CCCCC=1)C(CCC)=O |
|
| MCULE-3639141823 |
0.76 |
CC(C1(CC1)CC1CC=CCC1)=O |
|
| MCULE-8979245765 |
0.76 |
O=C1C(CC2CC=CCC2)CCC1 |
|
| MCULE-4641005233 |
0.76 |
O=CC1(CCCC1)CC1CC=CCC1 |
|
| MCULE-5034253909 |
0.76 |
C(C(C)C)(=O)C1CCCCC=1 |
|
| MCULE-6744252540 |
0.76 |
C1(=O)CC(CC=C1C)C(C)=C |
|
| MolPort-027-720-864 |
0.76 |
COc1c(OCC(O)C(C)=C)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-6776633195 |
0.76 |
C/C(=C1\C(=O)CC(C)=CCCC(C)=CC\1)/C |
|
| MolPort-027-720-864 |
0.76 |
COc1c(OCC(O)C(C)=C)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-6153734702 |
0.76 |
C1C(C)=CC/C(=C(/C)\C)/C(=O)CC(C)=CC1 |
|
| MCULE-1741751705 |
0.76 |
C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC=C1[C@H]1[C@H](CCC(C1)(C)C)CC2)C |
|
| MCULE-2936092419 |
0.76 |
CC(C(C)=O)CC1C2C=CC(CC2)C1 |
|
| MCULE-6531167311 |
0.76 |
CC(CCC1C2C=CC(CC2)C1)=O |
|
| MCULE-7459604539 |
0.76 |
O=C1C(CC2CC=CCC2)CCCCC1 |
|
| MCULE-3830868177 |
0.76 |
CC1CC(CC2CC=CCC2)C(=O)CC1 |
|
| MCULE-7859787767 |
0.76 |
CC(C(CC1CC=CCC1)=O)(C)C |
|
| MCULE-4852376400 |
0.76 |
O=CCCC1C2C=CC(CC2)C1 |
|
| MCULE-8714614317 |
0.76 |
C=CC(CC1C2C=CC(CC2)C1)=O |
|
| MCULE-7573937296 |
0.76 |
C/C(=C1/C(=O)CC(C)=CCCC(C)=CC/1)/C |
|
| MCULE-3035020921 |
0.76 |
C1CCCCC=C(C=O)C1 |
|
| MCULE-5060620930 |
0.76 |
CC(C=O)(CC1C2C=CC(CC2)C1)C |
|
| MCULE-7672510075 |
0.76 |
C12C(=O)C(C3([H])C(=O)C=CC13[H])C=C2 |
|
| MCULE-1451736151 |
0.76 |
C1(C(=CC[C@H](C(C)=C)C1)C)=O |
|
| MCULE-9444397237 |
0.76 |
C1CCC(=O)C=CCCC1 |
|
| MCULE-2076771260 |
0.76 |
O=C1CC(CC2CC=CCC2)CCCC1 |
|
| MCULE-2814899152 |
0.76 |
O=CC1(CCCCC1)CC1CC=CCC1 |
|
| MCULE-3433190262 |
0.76 |
C1(CCCCCCCCCCC=1)C(C)=O |
|
| MCULE-4490380859 |
0.76 |
O=C1CCC2(C)C3CC=C4C5(CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2(C1(C)C)[H])[H] |
|
| MCULE-7452592467 |
0.76 |
C1(=O)C[C@@H](CC=C1C)C(C)=C |
|
| MCULE-4878329713 |
0.76 |
O=CC1(CC1)CC1CC=CCC1 |
|
| MCULE-9958324589 |
0.76 |
C1CCCC=C1C(=O)C |
|
| MCULE-7116827600 |
0.76 |
O=CC1(CCC1)CC1CC=CCC1 |
|
| MCULE-2742423586 |
0.75 |
O=C1CCCCCCCC=CCCCCCCC1 |
|
| MCULE-3460481488 |
0.75 |
C1(=O)C=C2[C@](C)(C(=O)CC2)CC1 |
|
| MCULE-8950557153 |
0.75 |
C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C |
|
| MCULE-6547047070 |
0.75 |
O=C(C12CCCCC1C2)CC1CCCC=1 |
|
| MCULE-8456618809 |
0.75 |
C12(C)CCC(=O)C=C1CCC2=O |
|
| MCULE-1319324374 |
0.75 |
CC1CC=C(C(CC2CC=CC2)=O)CC1 |
|
| MCULE-9790788139 |
0.75 |
O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21 |
|
| MCULE-6992455059 |
0.75 |
CCCCCCC/C=C/CC(=O)C |
|
| MCULE-5881773205 |
0.75 |
CC1CC(CC2CC=CCC2)=CC(=O)C1 |
|
| MCULE-1877898399 |
0.75 |
O=C(C1CC2C(C2)CC1)CC1CCCC=1 |
|
| MCULE-9564685678 |
0.75 |
C(CCCCCCCC=CCCCCCCCC)(CCCCCCCC=CCCCCCCCC)=O |
|
| MCULE-3650003593 |
0.75 |
O=C1C=C(CC2CC=CCC2)CCCC1 |
|
| MCULE-1142475318 |
0.75 |
C1(C)(C)C2CC1C(=CC2=O)C |
|
| MCULE-3926742898 |
0.75 |
O=C1C=CC2(CCCCC2)CC1 |
|
| MCULE-5631441050 |
0.75 |
C12CCCCC1(C)CCC(=O)C=2 |
|
| MCULE-7781678672 |
0.75 |
C12CCCCC1C(CC(=O)C=2)C(C)C |
|
| MCULE-5668746450 |
0.75 |
C(=CCCCC)CCCCCCCCCC=O |
|
| MCULE-5099561644 |
0.75 |
O=C1CCC2=CC(CC[C@@]21C)=O |
|
| MCULE-5824284147 |
0.75 |
O=C(C1C2C(C2)CCC1)CC1CCCC=1 |
|
| MCULE-1342617339 |
0.75 |
C1CC2C3CCCCC3=CC(=O)C2CC1 |
|
| MCULE-1048579708 |
0.75 |
C12(C)CCCC(C)(C)C1=CC(=O)CC2 |
|
| MCULE-3440045209 |
0.75 |
O=C([C@H]1C[C@@H]2[C@@H](C2)C1)CC1CCCC=1 |
|
| MCULE-8599123114 |
0.75 |
C12(C)CCCCC1=C(C)C(=O)CC2 |
|
| MCULE-9487562113 |
0.75 |
[C@@]12(C)CCC(=O)C=C1CCC2=O |
|
| MCULE-3343421278 |
0.75 |
O=C1C=C(CC2CC=CCC2)CCC1 |
|
| MCULE-3614421214 |
0.75 |
C1(C=O)=C(C)CCC(C(C)C)C1=O |
|
| MCULE-6595352093 |
0.75 |
O=C(C12CCCC1C2)CC1CCCC=1 |
|
| MCULE-1925425954 |
0.75 |
C12CCCCC1CCC(=O)C=2 |
|
| MCULE-9092365556 |
0.74 |
C(=O)C(CCCC)=CCCCCC |
|
| MCULE-5966520622 |
0.74 |
C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2 |
|
| MCULE-7487706695 |
0.74 |
CC1(C(C(CC2CC=CCC2)=O)C1)C |
|
| MCULE-8040115902 |
0.74 |
C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O |
|
| MCULE-4126238786 |
0.74 |
O=CC1(CC1)CC1C2C=CC(CC2)C1 |
|
| MCULE-5596219960 |
0.74 |
O=C(C1C2(CC2)C1)CC1CC=CCC1 |
|
| MCULE-5588914917 |
0.74 |
O=CC1(CCC1)CC1C2C=CC(CC2)C1 |
|
| MCULE-8414068028 |
0.74 |
C1(CCCCCC=1)C=O |
|
| MCULE-5564101474 |
0.74 |
C1C(CC(CC=1C)(C)C)=O |
|
| MCULE-4497275799 |
0.74 |
C1(CCCCC1=O)=CC(C)C |
|
| MCULE-4823416344 |
0.74 |
CC(C1(CC1)CC1C2C=CC(CC2)C1)=O |
|
| MCULE-7994229276 |
0.74 |
O=C(C1CCC1)CC1CC=CCC1 |
|
| MCULE-8432152948 |
0.74 |
CC1(C(CC2CC=CCC2)=O)CC1 |
|
| MCULE-4948873814 |
0.74 |
C1(CCCCC1=O)=CC(CCCC)CC |
|
| MCULE-1648678126 |
0.74 |
CC1C(C(CC2CC=CCC2)=O)C1 |
|
| MCULE-7944143685 |
0.74 |
O=C(C1CC1)CC1CC=CCC1 |
|
| MCULE-7594121913 |
0.74 |
C1(CCCCC1=O)=CCCCCCC |
|
| MCULE-4195941884 |
0.74 |
CC(C1(C(C2CCCCC=2)=O)CC1)C |
|
| MCULE-5790792765 |
0.74 |
O=C1C(CC2C3C=CC(CC3)C2)CCC1 |
|
| MCULE-7214232871 |
0.74 |
C1C2=CCCC(C(C)C)C2CC(C=O)C1C |
|
| MCULE-4187355503 |
0.74 |
CC1CC(C(C2CCCCCCC=2)=O)C1 |
|
| MCULE-6078845553 |
0.74 |
CC1CC(C(CC2CC=CCC2)=O)C1 |
|
| MCULE-3814030883 |
0.74 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)C1CCC2=O |
|
| MCULE-8109491654 |
0.74 |
[C@]12(C)CC[C@H]3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@@H]1CCC2=O |
|
| MCULE-9704056914 |
0.74 |
O=C(C1CCCCCCC=1)C1C2(CC2)C1 |
|
| MCULE-3227878705 |
0.74 |
[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O |
|
| MCULE-8989542766 |
0.74 |
C12C3C(C4(C)C(CC3)CC(=O)CC4)CCC=1C(CC2)(C)C |
|
| MCULE-7619150531 |
0.74 |
CCCCC/C=C(\C=O)/CCCC |
|
| MCULE-3080370181 |
0.74 |
C1CC2(CC(=O)CC2(C)CC=1)C |
|
| MCULE-8573249352 |
0.74 |
[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(C)=O |
|
| MCULE-5396065385 |
0.74 |
C1C(=O)CC=C(C)C1 |
|
| MCULE-9756913466 |
0.74 |
C12CCC3=CCCCC3C1CCC1(C)C(CCC21)=O |
|
| MCULE-2243940623 |
0.74 |
C1CC2CC2CCC(=O)C=1 |
|
| MCULE-2614181271 |
0.74 |
CC(C(CC1C2C=CC(CC2)C1)=O)(C)C |
|
| MCULE-5281461360 |
0.74 |
C1(=O)C=CCCCC1 |
|
| MCULE-4391727742 |
0.74 |
C1C(CC(CC=1C)C)=O |
|
| MCULE-4409286429 |
0.74 |
O=C1CCC2(C)C1(CCC1(C)C3(C)CCC4(C)CCC(C)(C)CC4(C3=CCC21)[H])[H] |
|
| MCULE-1842062313 |
0.74 |
CC1(C(CC2CC=CCC2)=O)CCCC1 |
|
| MCULE-5661083032 |
0.74 |
CC1C(C(CC2CC=CCC2)=O)CCC1 |
|
| MCULE-7199540909 |
0.74 |
O=C(C1CCCCC1)CC1CC=CCC1 |
|
| MCULE-6337171250 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H] |
|
| MCULE-5543998347 |
0.74 |
O=C1C=C2CCCCC32C1C1C(=O)C3C2CCCCC=21 |
|
| MCULE-5466118884 |
0.74 |
C1C(CCCCC=1C)=O |
|
| MCULE-3020606954 |
0.74 |
O=C1CC(C)(C)C2CC=CCC2C1(C)C |
|
| MCULE-1064684832 |
0.74 |
C1(CCCC)C(=O)CC(C)(C)CC=1C |
|
| MCULE-4014926214 |
0.74 |
CC1CC(C(CC2CC=CCC2)=O)CC1 |
|
| MCULE-7380885765 |
0.73 |
O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H] |
|
| MCULE-9637050612 |
0.73 |
O=C1CCC2C(=C1)CCC1(C)C2CC=CC1 |
|
| MCULE-2160116138 |
0.73 |
O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1 |
|
| MCULE-9253654000 |
0.73 |
C1=CC2CC1C1C(=O)C=CC12 |
|
| MCULE-2324385738 |
0.73 |
C12(C)C(=O)CC(C)(C)C1C=C2 |
|
| MCULE-4303966960 |
0.73 |
C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2 |
|
| MCULE-7384114075 |
0.73 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O |
|
| MCULE-4324141268 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O |
|
| MCULE-4876387221 |
0.73 |
O=C(C1CCCCC=1)CC1CC2C(C2)C1 |
|
| MCULE-5119094209 |
0.73 |
O=C(C12CCCC1C2)C1CCCCC=1 |
|
| MCULE-8690639813 |
0.73 |
[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O |
|
| MCULE-3893717167 |
0.73 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O |
|
| MCULE-2014220888 |
0.73 |
O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H] |
|
| MCULE-3057400120 |
0.73 |
C/C(/C)=C/C(CC1C2CCC(CC2)C1)=O |
|
| MCULE-3132312011 |
0.73 |
O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H] |
|
| MCULE-6041020600 |
0.73 |
C12C(=O)C=CC(C1)CC2 |
|
| MCULE-1428417742 |
0.73 |
[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-6538426298 |
0.73 |
O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1 |
|
| MCULE-5238788396 |
0.73 |
[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-8841120984 |
0.73 |
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-4067407974 |
0.73 |
C/C(/C)=C/C(C1C(C(C)(C)C)C1)=O |
|
| MCULE-3425686308 |
0.73 |
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-9795083418 |
0.73 |
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-8227436556 |
0.73 |
C1(=O)CCCC=CCCCCCCCCCC1 |
|
| MCULE-1952453345 |
0.73 |
C/C(/C)=C/C(C1C(C2CC2)C1)=O |
|
| MCULE-8417547529 |
0.73 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O |
|
| MCULE-3125023758 |
0.73 |
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-3394759576 |
0.73 |
C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1 |
|
| MCULE-3385582028 |
0.73 |
C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C |
|
| MCULE-8902385122 |
0.73 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O |
|
| MCULE-4900297288 |
0.73 |
CC1CC(CC2CC=CC2)=CC(=O)C1 |
|
| MCULE-3526435182 |
0.73 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O |
|
| MCULE-3175746942 |
0.73 |
C12(C)C(=O)C=CC(CC1)C2(C)C |
|
| MCULE-3340613267 |
0.73 |
C12(C)C3C(C4C(C)(CC3)C(C(C)=O)CC4)CCC1=CC(=O)CC2=O |
|
| MCULE-8519555544 |
0.73 |
C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O |
|
| MCULE-9661302470 |
0.73 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C |
|
| MCULE-1327216619 |
0.73 |
CC1(CC(CC2CC=CC2)=CC(=O)C1)C |
|
| MCULE-6738536824 |
0.73 |
O=C1C(C)=C2C(CCCC2(C)CC1)=O |
|
| MCULE-7132823730 |
0.73 |
[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-6340945460 |
0.73 |
O=C(C12CCCCC1C2)C1CCCCC=1 |
|
| MCULE-1731235356 |
0.73 |
O=C(C1CCCCC=1)C1C2C(C2)CCC1 |
|
| MCULE-6326954661 |
0.73 |
C1(/CCC(CC/1=O)([H])C)=C(\C)/C |
|
| MCULE-7311518942 |
0.73 |
CC=CC(CC1C2CCC(CC2)C1)=O |
|
| MCULE-6739386631 |
0.73 |
O=C(C1CCCCC=1)C1CC2C(C2)CC1 |
|
| MCULE-3386101177 |
0.73 |
[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-8955106048 |
0.73 |
C1(C)(C)C(=O)C2C(C)(C)C2C=C1 |
|
| MCULE-7382104000 |
0.73 |
CC(C(/C=C(\C)/C)=O)C1CCC1 |
|
| MCULE-1921650357 |
0.73 |
C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C |
|
| MCULE-4785640334 |
0.72 |
CC1CC(C(C2CCCC=2)=O)C1 |
|
| MCULE-1578387226 |
0.72 |
O=C(C1CCCC=1)CC1CC=CC1 |
|
| MCULE-6557651976 |
0.72 |
C1(=O)C2C=CC(=O)C2C=C1 |
|
| MCULE-5102413219 |
0.72 |
O=C(C1CCCCCC=1)C1C2(CC2)C1 |
|
| MCULE-4387476121 |
0.72 |
C1C2CC=C(C)C(=O)C1C2(C)C |
|
| MCULE-6481056517 |
0.72 |
CC(C(C1CCCC=1)=O)C1CCC1 |
|
| MCULE-2011218266 |
0.72 |
CC(C(C1CCCCCC=1)=O)C1CCC1 |
|
| MCULE-8800846446 |
0.72 |
CC(C1C(C(C2CCCC=2)=O)C1)(C)C |
|
| MCULE-6661177248 |
0.72 |
CC1CC(C(C2CCCCCC=2)=O)C1 |
|
| MCULE-7999733772 |
0.72 |
C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1 |
|
| MCULE-2807643168 |
0.72 |
C1(C)CC(=O)C=C1CCCCC |
|
| MCULE-6302987664 |
0.72 |
O=C(C1CCCC=1)C1C(C2CC2)C1 |
|
| MCULE-6989137991 |
0.72 |
C1C(=O)CCC2([H])CC2([H])C=1 |
|
| MCULE-2358765585 |
0.72 |
O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C |
|
| MCULE-1287633510 |
0.72 |
C1(CCCCCC)=CCCC1=O |
|
| MCULE-2850571893 |
0.72 |
O=C(C1CCCCCC=1)C1C(C2CC2)C1 |
|
| MCULE-2643922279 |
0.72 |
C1(CCCCC)=CCCC1=O |
|
| MCULE-8226891771 |
0.72 |
CC(C1(C(C2CCCCCC=2)=O)CC1)C |
|
| MCULE-7695357226 |
0.72 |
O=C(C1CCCC=1)C1CC2(CCC2)C1 |
|
| MCULE-4005939250 |
0.72 |
C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O |
|
| MCULE-9977163649 |
0.72 |
O=C1CC(C)(C)CC(C=O)=C1 |
|
| MCULE-6930955162 |
0.72 |
C1(CCCCC)C(=O)CCC=1C |
|
| MolPort-002-530-519 |
0.72 |
COc1c(OCC(OC(C)=O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-3857929176 |
0.71 |
O=C1C=C(CC2C3C=CC(CC3)C2)CC1 |
|
| MCULE-4639928435 |
0.71 |
C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O |
|
| MCULE-5395136417 |
0.71 |
[H]C1(C)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2CCC1=O)[H] |
|
| MCULE-4060282567 |
0.71 |
O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O |
|
| MCULE-2318177037 |
0.71 |
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-8099197121 |
0.71 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C |
|
| MCULE-7704943892 |
0.71 |
C1(CC)CC(=O)CCCCC=C1 |
|
| MCULE-7535047148 |
0.71 |
CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O |
|
| MCULE-2588670002 |
0.71 |
C1(CCCC=1)C(CCC)=O |
|
| MCULE-5676927364 |
0.71 |
C(=O)(CC(C)C)C1CCCC=1 |
|
| MCULE-1280449807 |
0.71 |
CC1C(C(CC2C3C=CC(CC3)C2)=O)C1 |
|
| MCULE-2137893098 |
0.71 |
C12C(C)(C)CCCC=1CC(C)C(C)(C(C)=O)C2 |
|
| MCULE-4541255966 |
0.71 |
C(=CC(C)=O)C1C(C)CC(=CC1C)C |
|
| MCULE-5841728721 |
0.71 |
O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H] |
|
| MCULE-3433336466 |
0.71 |
C1=C(C)CC(C(C=O)C1C)C |
|
| MCULE-1385714254 |
0.71 |
C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36 |
|
| MCULE-5866062254 |
0.71 |
O=C(C1CC1)CC1C2C=CC(CC2)C1 |
|
| MCULE-6735391183 |
0.71 |
C12C(C)(C)CCCC=1CC(C)C(C=O)C2 |
|
| MCULE-6135208734 |
0.71 |
CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C |
|
| MCULE-9061110786 |
0.71 |
C(=C(/C)\C)\C(=O)C1CCC(CC1)=O |
|
| MCULE-6849313207 |
0.71 |
CC1CCCC(=O)C=1 |
|
| MCULE-8706542409 |
0.71 |
C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2 |
|
| MCULE-6811826956 |
0.71 |
C12(C)CCC(=O)CC1CCC1C3C(CCC21)=C(C)CC3 |
|
| MCULE-4428185983 |
0.71 |
C1(CCCCC1=O)=CCC(C)C |
|
| MCULE-6881426714 |
0.71 |
O=C1CCCCC1=CCCCC |
|
| MCULE-9761993676 |
0.71 |
C1=C(C)CC([C@@H](C=O)C1C)C |
|
| MCULE-1235419293 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O |
|
| MCULE-3406692868 |
0.71 |
CC1(C(CC2C3C=CC(CC3)C2)=O)CC1 |
|
| MCULE-6769530046 |
0.71 |
C(C1CC=C(CC1C)C)=CC(C)=O |
|
| MCULE-7241385729 |
0.71 |
C1(=O)C=C(C)CC(C)(C)C1C(C)=O |
|
| MCULE-9740579162 |
0.71 |
C1(C(C)=O)CC(=O)C(C)=CC1 |
|
| MCULE-1638755617 |
0.71 |
O=C(C)C1C(C=C(C)CC1)=O |
|
| MCULE-1556522580 |
0.71 |
C1(=O)CCC=CCCCCC1 |
|
| MCULE-2123440957 |
0.71 |
CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1 |
|
| MCULE-3804311142 |
0.71 |
C1C2CC(CC(=O)C)C(C2)C=1 |
|
| MCULE-7855057974 |
0.71 |
O=C(C1CCC1)CC1C2C=CC(CC2)C1 |
|
| MCULE-5595700484 |
0.71 |
[H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O |
|
| MCULE-4834546197 |
0.71 |
C1=C(C)CCC(C=O)C1C |
|
| MCULE-2344630269 |
0.71 |
C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C |
|
| MCULE-3149377803 |
0.71 |
C1CC(CCC=1C)C(C)=O |
|
| MCULE-5040560976 |
0.71 |
O=C1C(=CC(CC)CC)CCCC1 |
|
| MCULE-6900112057 |
0.70 |
C1CCCC2C(=O)CC(C)C=2CCCCCC1 |
|
| MCULE-9382333306 |
0.70 |
C1(C)(C)CC(=O)C2=C(C)CCC12 |
|
| MCULE-5531656338 |
0.70 |
CC1C(=O)C(C)(C)CC(=O)C=1 |
|
| MCULE-4594101266 |
0.70 |
C1CC2(C)CC(=O)C=C2C1 |
|
| MCULE-5633160153 |
0.70 |
O=C1C=C(CC2CC=CC2)CC1 |
|
| MCULE-1175519180 |
0.70 |
C1C2C(=O)CCC=2CCC1 |
|
| MCULE-8180565288 |
0.70 |
O=C1C=C(CC2C3CCC(CC3)C2)CC1 |
|
| MCULE-3625394348 |
0.70 |
O=C1C=C(CC2CC=CC2)CCCC1 |
|
| MCULE-1323244269 |
0.70 |
O=C(C1CCCC=1)C1CC2(CC2)CCC1 |
|
| MCULE-4374730563 |
0.70 |
O=C1CC2CCCCC2=C1 |
|
| MCULE-4928649557 |
0.70 |
C1CC2C(=O)CC(C)(C)C=2CC1 |
|
| MCULE-8557116567 |
0.70 |
C12([H])C(C)CCC1([H])C(C)=CC2=O |
|
| MCULE-2320815624 |
0.70 |
C1CC2C(=O)CC(C)C=2CC1 |
|
| MCULE-9326244207 |
0.70 |
O=C(C1CCCC=1)C1CCC2(CC2)CC1 |
|
| MCULE-9956317855 |
0.70 |
C1(=O)CC2CC1C=C2 |
|
| MCULE-7628079142 |
0.69 |
O=C(C1C2C1CCC2)CC1CC=CCC1 |
|
| MCULE-4945902509 |
0.69 |
O=C(C1CC2C(C2)C1)CC1CC=CCC1 |
|
| MCULE-7494382495 |
0.69 |
C1(C(C)C=CCC1(C)C)C(=O)C=CC |
|
| MCULE-1897348776 |
0.69 |
O=C1C2CC=CCC2CC2CC=CCC21 |
|
| MCULE-6026959980 |
0.69 |
C12CC1C(=O)C(/C=C(\C)/C)C2 |
|
| MCULE-2232302900 |
0.69 |
C1(CC2CCC1C=C2)C(C)=O |
|
| MCULE-9819044866 |
0.69 |
C1([C@H](C)CCC([C@@H](CC=CC(C)(C)C1)C)=O)=O |
|
| MCULE-3854801059 |
0.69 |
C1(CCCC)C(=O)CCC=1C |
|
| MCULE-7503158705 |
0.69 |
C1=CC2C=CC3C(C(C)(C(C)=O)C)=CC1C23 |
|
| MCULE-6153090139 |
0.69 |
C1C2CCC(CC2C=O)C=1 |
|
| MCULE-3936888193 |
0.69 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O |
|
| MCULE-5124770449 |
0.69 |
C1(=O)CCC(C)(C)C=C1 |
|
| MCULE-4392799968 |
0.69 |
C1(C=O)CCC(C)=C(C)C1 |
|
| MCULE-6245248136 |
0.69 |
C1(C)=CCCCC1=O |
|
| MCULE-3774162320 |
0.69 |
C1(=O)CC(C)(C)CC=C1 |
|
| MCULE-7439135180 |
0.69 |
CC(C1(C(C2CCCC=2)=O)CC1)C |
|
| MCULE-3247594562 |
0.69 |
C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CCC(=O)C)C |
|
| MCULE-9916460202 |
0.69 |
[C@]12([H])C[C@@]3(C)CC[C@H]([C@@H](C)/C=C\C=C(\C)/C)[C@]3([H])CC=C(C=O)[C@]1([H])C(C=C2C)=O |
|
| MCULE-7688284225 |
0.69 |
C1(C=O)(C)CCC(C)=C(C)C1 |
|
| MCULE-1177617044 |
0.69 |
C1(=O)CC23CC2(CCC3)C=C1 |
|
| MCULE-7590185927 |
0.69 |
C123C(=C)CCC1(CCC2=O)CC=C3C |
|
| MCULE-4531694532 |
0.69 |
C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12 |
|
| MCULE-1811364024 |
0.69 |
C1(C)(C)C(=O)C=CCC1 |
|
| MCULE-2354192149 |
0.69 |
O=C(C12CCCC1C2)CC1CC=CCC1 |
|
| MCULE-3487233745 |
0.69 |
C1(C)CC(C)C(CC=1C)C=O |
|
| MCULE-2910442456 |
0.69 |
CC=CC(CC1CC2C(C2)C1)=O |
|
| MCULE-7643707180 |
0.69 |
C/C(/C)=C/C(CC1CC2C(C2)C1)=O |
|
| MCULE-9093112563 |
0.69 |
CC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O |
|
| MCULE-9576334626 |
0.69 |
C(C1CC(C)=CC(C)C1C)=O |
|
| MCULE-3589595055 |
0.69 |
CC=CC(CC1CC2C(C2)CC1)=O |
|
| MCULE-3839963678 |
0.69 |
C(C)(CC(C)CC/C=C(\C)/C)=O |
|
| MCULE-2587582031 |
0.69 |
O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O |
|
| MCULE-7528842962 |
0.69 |
C1(C)C[C@H](C)[C@@H](CC=1C)C=O |
|
| MCULE-5534930691 |
0.69 |
C1CC(CCC=1C)C=O |
|
| MCULE-2488250148 |
0.69 |
C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21 |
|
| MCULE-5882877418 |
0.69 |
C/C(/C)=C/C(CC1CC2C(C2)CC1)=O |
|
| MolPort-007-549-186 |
0.68 |
COc1c(OC[C@@H]2OC(C)(C)OC2(C)C)ccc2c(OC)c3ccoc3nc12 |
|
| MolPort-001-925-824 |
0.68 |
COc1c(OCC2OC(C)(C)OC2(C)C)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-3020807810 |
0.68 |
C1=CC2CC1C(C2)C=O |
|
| MCULE-5300332080 |
0.68 |
O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1 |
|
| MCULE-8316425336 |
0.68 |
O=C(C12CCCCC1C2)C1CCCC=1 |
|
| MCULE-5633538128 |
0.68 |
C12CCCC1(C)CC(=O)C=2C |
|
| MCULE-7541137822 |
0.68 |
O=C1C=C(C2(C)C(C)C(C)C12C)C |
|
| MCULE-4900399116 |
0.68 |
C1CC2C(=O)C3CC=CCC3C(=O)C2CC=1 |
|
| MCULE-6601187734 |
0.68 |
C1CC23CCC(=O)C2(CCCC3)CC=1 |
|
| MCULE-5865441641 |
0.68 |
O=C(C1CCCC=1)CC1CC2C(C2)CC1 |
|
| MCULE-4051240768 |
0.68 |
C12C3CCC(=O)C3(C)CCC=1C1C(C)(CC2)CC(=O)CC1 |
|
| MCULE-6708433496 |
0.68 |
C12CCC1C(=O)C=C2 |
|
| MCULE-4453341269 |
0.68 |
O=C1C2CC(C)=C(C)CC2C(C2CC(C)=C(C)CC21)=O |
|
| MCULE-8777632906 |
0.68 |
O=C(C1CCCC=1)CC1CC2C(C2)C1 |
|
| MCULE-1944708514 |
0.68 |
C12CC(C=C1)CC2C(C)=O |
|
| MCULE-7458844213 |
0.68 |
O=C(C1CCCC=1)C1CC2C(C2)CC1 |
|
| MCULE-1020785874 |
0.68 |
O=C(C12CCCC1C2)C1CCCCCC=1 |
|
| MCULE-7221367574 |
0.68 |
O=C(C12CCCC1C2)C1CCCC=1 |
|
| MCULE-7230877379 |
0.68 |
O=C1CCC(C2CC=CCC21)=O |
|
| MCULE-8961312077 |
0.68 |
C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O |
|
| MCULE-2754957448 |
0.68 |
O=C(C1CCCC=1)C1C2C(C2)CCC1 |
|
| MCULE-1373086617 |
0.68 |
O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1 |
|
| MCULE-5160344949 |
0.68 |
O=C1C2C3C=CC(C3)C2C2C1C1CC2C=C1 |
|
| MCULE-2832089707 |
0.67 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1 |
|
| MCULE-9990082723 |
0.67 |
O=C1C(C)(C)C(=C)C(C)=C(C)C1(C)C |
|
| MCULE-1810658219 |
0.67 |
C/C(/C)=C/CCC1(CC(=O)CC1)C |
|
| MCULE-1005769729 |
0.67 |
C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1 |
|
| MCULE-4315440442 |
0.67 |
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 |
|
| MCULE-9513927762 |
0.67 |
CC1C2(C)CCC3C4(C)CCC(CC/C=C(\C)/C)(C)CC4(C)CCC3(C)C2CCC1=O |
|
| MCULE-2589305143 |
0.67 |
CC1C(=O)CCC1CC/C=C(\C)/C |
|
| MCULE-4547070816 |
0.67 |
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-5461214891 |
0.67 |
[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-6238783971 |
0.67 |
[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H] |
|
| MCULE-9484484276 |
0.67 |
C1C[C@@]2([H])[C@]3(C)CC[C@@]4(C)C[C@@](CC/C=C(/C)\C)(C)CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C1=O |
|
| MCULE-6557448423 |
0.67 |
C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21 |
|
| MCULE-8302753934 |
0.67 |
C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O |
|
| MCULE-4203969651 |
0.67 |
C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O |
|
| MCULE-7455827757 |
0.67 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H] |
|
| MCULE-1529769635 |
0.67 |
CC(C(C)=O)CC1CC=CC1 |
|
| MCULE-7703543535 |
0.67 |
C1(C)(CC/C=C(\C)/C)CC(C)(C)CC(=O)C1 |
|
| MCULE-3659973428 |
0.67 |
C1C2CC(C(=O)C2=O)C=1 |
|
| MCULE-7880343136 |
0.66 |
C1CC(C2CCCC=C2)C=CC1 |
|
| MCULE-9623046872 |
0.66 |
C1(=CCCC1)C(=O)C |
|
| MCULE-3451001062 |
0.66 |
C1(C(C)(C)C)C(=O)C(=O)C=C(C(C)(C)C)C=1 |
|
| MCULE-1311521216 |
0.66 |
C1C(=O)C=C(C(C)(C)C)C1 |
|
| MCULE-4406036090 |
0.66 |
O=C1CCC2C(=C1)C=CC1(C)C2CC=CC1 |
|
| MCULE-7818217503 |
0.66 |
C1CCC(=O)CCCC=1 |
|
| MCULE-7659859570 |
0.66 |
[C@]12(C)CC(C)=C(C[C@@]1([H])C(C(C(C)=O)C2=O)=O)C |
|
| MCULE-5523359511 |
0.66 |
C1(CCCC=1)C(CC)=O |
|
| MCULE-4904029240 |
0.66 |
C(C(C)C)(=O)C1CCCC=1 |
|
| MCULE-4552456295 |
0.66 |
O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1 |
|
| MCULE-1263670923 |
0.66 |
O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21 |
|
| MCULE-4061101233 |
0.66 |
C1CC(C)=C2CCC(C)=CCCC(=C)CCC1C2(C)C |
|
| MCULE-4240902847 |
0.66 |
C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1 |
|
| MCULE-8089081418 |
0.65 |
CC1(CC(=O)CC1)CC1CC=CC1 |
|
| MCULE-7025674174 |
0.65 |
C(C=CC(=O)C)CCCCC |
|
| MCULE-8673056647 |
0.65 |
CC1C(=O)CCC1CC1CC=CC1 |
|
| MCULE-3772551936 |
0.65 |
C/C(/C)=C/CCC1C(=O)CCC1 |
|
| MCULE-9493184913 |
0.65 |
O=CC1(CC1)CC1CC=CC1 |
|
| MCULE-1670316367 |
0.65 |
C1(C)(C)C(CC=O)CC=C1C |
|
| MCULE-9312473761 |
0.65 |
C/C(/C)=C/C(=O)C/C(/C)=C/CC[C@@](O)(C)C=C |
|
| MCULE-3562867778 |
0.65 |
C1(CC2CC(C=C2)C1)=O |
|
| MCULE-4904757465 |
0.65 |
C1(CCC(=O)C)C(C)CC(=O)/C(=C(\C)/C)/CC=1 |
|
| MCULE-4042007732 |
0.65 |
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-1201927354 |
0.65 |
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-2256614888 |
0.65 |
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 |
|
| MCULE-5070166283 |
0.65 |
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-4677342716 |
0.65 |
O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21)[H] |
|
| MCULE-7421072365 |
0.65 |
C12C3C4C5C1C(C1C5C5C4C(CC5C1=O)C3=O)C=C2 |
|
| MCULE-9440786663 |
0.65 |
O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)[H] |
|
| MCULE-4949013565 |
0.65 |
C(C1(C2=CCCCC2)CCCCC1)(O)=O |
|
| MCULE-9601196069 |
0.65 |
C12([H])CC=CC1([H])CC(=O)C2 |
|
| MCULE-7561172842 |
0.65 |
C1=CC2C3C4C(C(C(=O)C)C13)C=CC4C2C(=O)C |
|
| MCULE-2582517969 |
0.65 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C |
|
| MCULE-2420758748 |
0.65 |
O=C1C2CC(C3CC=CC23)C1 |
|
| MCULE-9605736984 |
0.65 |
C1CC23C=CC2(CCCC3)CC1=O |
|
| MolPort-001-894-630 |
0.65 |
COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2c(OC)c3ccoc3nc2c1OC |
|
| MolPort-002-515-643 |
0.65 |
COc1c(OCC(OC(=O)c2ccccc2)C(C)(C)O)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-1397001651 |
0.65 |
CC1CC(C=O)(CC2CC=CC2)CC1 |
|
| MCULE-1027304648 |
0.65 |
O=C(/C=C1\CCCCC\1)CC1CC=CC1 |
|
| MCULE-9392152255 |
0.65 |
CC1C(=O)C(C)=C(C)C1C |
|
| MCULE-4533311081 |
0.65 |
CC1CC(CC/C=C(\C)/C)C(=O)CC1 |
|
| MCULE-9795786500 |
0.65 |
C/C(/C)=C/CCC1C(=O)CCCCC1 |
|
| MCULE-7136129743 |
0.65 |
CC1CC(C=O)(CC2CC=CC2)CCC1 |
|
| MCULE-4157028706 |
0.65 |
O=C1C(CC2CC=CC2)CCCCC1 |
|
| MCULE-4119972169 |
0.65 |
O=CC1(CCCCC1)CC1CC=CC1 |
|
| MCULE-9566632126 |
0.65 |
CC1C(C=O)(CC2CC=CC2)CCCC1 |
|
| MCULE-6392382167 |
0.65 |
CC(C(CC1CC=CC1)=O)=C |
|
| MCULE-6201470825 |
0.65 |
O=C1C(CC2CC=CC2)CCC1 |
|
| MCULE-8739489327 |
0.65 |
C12C(C(=O)C1)CC=C2 |
|
| MCULE-1000113657 |
0.65 |
CC(C1(CC1)CC1CC=CC1)=O |
|
| MCULE-5049706558 |
0.65 |
C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O |
|
| MCULE-3939283530 |
0.65 |
CC1C(C=O)(CC2CC=CC2)CCC1 |
|
| MCULE-1243509764 |
0.65 |
C/C(/C)=C/CCC1C(=O)CCCC1 |
|
| MCULE-9964577766 |
0.65 |
CC1CC(CC2CC=CC2)C(=O)CC1 |
|
| MCULE-6683714278 |
0.65 |
O=CC1(CCCCCC1)CC1CC=CC1 |
|
| MCULE-9853941800 |
0.65 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1 |
|
| MCULE-2282209257 |
0.64 |
NC1C(CC(C2CCCCC=2)=O)CCC1 |
|
| MCULE-6858813637 |
0.64 |
C1=CC2CC1C1C(=O)C=CC(=O)C21 |
|
| MCULE-2255462467 |
0.64 |
C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C |
|
| MCULE-7380592285 |
0.64 |
C(C)(=C)[C@@H]1CCC(=CC1)C |
|
| MCULE-2575543658 |
0.64 |
C1(C2C(C3CC2C=C3)C2C(C3C(C4CC3C=C4)C12)=O)=O |
|
| MCULE-1385130554 |
0.64 |
C1C[C@H](C(=C)C)CCC=1C |
|
| MCULE-1981040221 |
0.64 |
C1CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2 |
|
| MCULE-9909477927 |
0.64 |
OC(CC1CCCCC=1)=O |
|
| MCULE-8371261917 |
0.64 |
CC1C(=O)C2C(C3C=CC2C3)C(=O)C=1 |
|
| MCULE-5956607784 |
0.64 |
N[C@H]1[C@H](CC(C2CCCCC=2)=O)CCC1 |
|
| MCULE-6555171777 |
0.64 |
C12CC(C3C(=O)CC(=O)C13)C1=C2C2CC1CC2 |
|
| MCULE-7929696567 |
0.64 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O |
|
| MCULE-2583415836 |
0.64 |
CC(CCC=C(CCC1C2(C)C(C(CCC2)(C)C)CC=C1C)C)=O |
|
| MCULE-7256161983 |
0.64 |
C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O |
|
| MCULE-5119373215 |
0.64 |
NC1CC(C(C2CCCCC=2)=O)C1 |
|
| MCULE-9728121394 |
0.64 |
C1CC(C)(CCC#N)C=CC1=O |
|
| MCULE-8536214911 |
0.64 |
C1C(=O)C2([H])CC2([H])C=CCC1 |
|
| MCULE-6727116660 |
0.64 |
O=C1CC=CCC(=O)CC=CC1 |
|
| MCULE-9942267030 |
0.64 |
C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3 |
|
| MCULE-5632142516 |
0.64 |
C(C(CCC=C(C)CC/C=C(\C)/C)=O)=CC(C)C |
|
| MCULE-1445062394 |
0.64 |
C12(C)CC(C3C(C=CC(=O)C31)=O)C(C)=C2 |
|
| MCULE-2062449314 |
0.64 |
C(C(CC(C)C)=O)=CC(C)C |
|
| MCULE-4159649248 |
0.64 |
C(C1CC=C(CC=CC(C)C)CC1)=O |
|
| MCULE-3192846064 |
0.64 |
C12(C=CC(=O)CC1)C(=O)C=C(O)CC2(C)C |
|
| MCULE-2527215493 |
0.64 |
C1=CC2C=CC3C(=O)CC1C23 |
|
| MCULE-2462317444 |
0.64 |
C(C)(=C)C1CCC(=CC1)C |
|
| MCULE-5992544838 |
0.64 |
C1(C)CC[C@H](C(C)=C)CC=1 |
|
| MCULE-1852323478 |
0.64 |
CC(C(C#N)(CC1CC=CCC1)C)=O |
|
| MCULE-2705141143 |
0.64 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O |
|
| MCULE-6541953240 |
0.64 |
C1CCC(C(C)(C(O)=O)C)=CCCC1 |
|
| MCULE-6674224748 |
0.64 |
C[C@@]12C(=O)CC[C@]1([C@]1([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(=C)C1)[H])[H] |
|
| MCULE-4352828599 |
0.64 |
C(N)(C(CC)C1CCCCC=1)=O |
|
| MCULE-8045534685 |
0.64 |
C(O)(C(CC)C1CCCCC=1)=O |
|
| MCULE-3225619905 |
0.64 |
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-6736529827 |
0.64 |
C=C(C)[C@H]1CCC(C)=CC1 |
|
| MCULE-9813376800 |
0.64 |
[C@]12(C)CCC(=O)C=C1C[C@H](C[C@@H]2C#N)C(=C)C |
|
| MCULE-1284522477 |
0.64 |
C12C3C4C=CC1C(C4C(=O)C3)C(=O)C2 |
|
| MCULE-9696156059 |
0.64 |
C12CC(C3C(=O)C=CC(=O)C13)C1=C2C2CC1CC2 |
|
| MCULE-1953446416 |
0.64 |
C12=CC(CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC2=C)=O)=O |
|
| MCULE-9185909244 |
0.64 |
C1(=O)C2C3CC(C=C3)C2C(C2C3C=CC(C3)C21)=O |
|
| MCULE-3841271177 |
0.63 |
C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2 |
|
| MCULE-7543573924 |
0.63 |
C(C1CC=CCC1C)=O |
|
| MCULE-2429728192 |
0.63 |
CC(C=CC1C2CC3CC(C2)CC1C3)=O |
|
| MCULE-4408401941 |
0.63 |
CCC1C(=CC(C)=O)CCCCC1 |
|
| MCULE-1657159254 |
0.63 |
[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H] |
|
| MCULE-3945869814 |
0.63 |
C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H] |
|
| MCULE-8721567365 |
0.63 |
[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H] |
|
| MCULE-7712069033 |
0.63 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O |
|
| MCULE-1433114220 |
0.63 |
O=C(C1CC2(CCC2)C1)CC1CC=CC1 |
|
| MCULE-5063748511 |
0.63 |
C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O |
|
| MCULE-2300065923 |
0.63 |
C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O |
|
| MCULE-9582195314 |
0.63 |
C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O |
|
| MCULE-3468058170 |
0.63 |
C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O |
|
| MCULE-1990275167 |
0.63 |
C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O |
|
| MCULE-2236994087 |
0.63 |
C1(CCC(CC=1)C(C)=C)C(O)=O |
|
| MCULE-2417213379 |
0.63 |
CC1(C(C(CC2CC=CC2)=O)CCC1)C |
|
| MCULE-6006770933 |
0.63 |
CC(C=C(CC1CCCC1)C)=O |
|
| MCULE-3946245376 |
0.63 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O |
|
| MCULE-9308723337 |
0.63 |
CC(C1C(=CC(C)=O)CCCCC1)C |
|
| MCULE-4919875478 |
0.63 |
CC1C(=CC(C)=O)CCCCC1 |
|
| MCULE-5274452426 |
0.63 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O |
|
| MCULE-7244392169 |
0.63 |
C1(=O)C2CCCC=2C(=O)C23CC12CCC3 |
|
| MCULE-4819154807 |
0.63 |
C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C |
|
| MCULE-8485600766 |
0.63 |
O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O |
|
| MCULE-9131674305 |
0.63 |
O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1 |
|
| MCULE-2605863241 |
0.63 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C |
|
| MCULE-7998597001 |
0.63 |
C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3 |
|
| MCULE-3188056951 |
0.63 |
C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1 |
|
| MCULE-4752119585 |
0.63 |
C1C(CC=CC1)C=O |
|
| MCULE-2363731744 |
0.63 |
C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O |
|
| MCULE-1070952436 |
0.63 |
C1=CC2C3C4C5C6(C(=O)C=CC(=O)C26C4C=C5)C13 |
|
| MCULE-5078166082 |
0.63 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1 |
|
| MCULE-2653535248 |
0.63 |
C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O |
|
| MCULE-4464721001 |
0.63 |
C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1 |
|
| MCULE-8997101380 |
0.63 |
CC(C=C(CC1CCCCC1)C)=O |
|
| MCULE-3424177321 |
0.63 |
CC(C=CC1CCCCC1)=O |
|
| MCULE-2810354958 |
0.63 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O |
|
| MCULE-5658801482 |
0.63 |
C1=CC2CC(=O)C3C(=O)CC1C23 |
|
| MCULE-9587444246 |
0.63 |
C1(=O)CC(C)C(C)=C1 |
|
| MCULE-2361055754 |
0.63 |
O=C(C1CCCCCC1)CC1CC=CC1 |
|
| MCULE-1426909577 |
0.63 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C |
|
| MCULE-5773428311 |
0.63 |
C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3 |
|
| MCULE-9209606443 |
0.63 |
C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1 |
|
| MCULE-1065645853 |
0.63 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O |
|
| MCULE-2990920571 |
0.63 |
CC1(C(CC2CC=CC2)=O)CCCCC1 |
|
| MCULE-8303528132 |
0.63 |
CC1(C(CC2CC=CC2)=O)CCCC1 |
|
| MCULE-2460476091 |
0.63 |
C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O |
|
| MCULE-7703110506 |
0.63 |
CC1CC(C(CC2CC=CC2)=O)CC1 |
|
| MCULE-1455068472 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1 |
|
| MCULE-8388310463 |
0.63 |
CC1C(C(CC2CC=CC2)=O)CCC1 |
|
| MCULE-2258345539 |
0.63 |
O=CC1(C2CC(CC2)C1)CC1CC=CC1 |
|
| MCULE-3333652397 |
0.63 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O |
|
| MCULE-9638281061 |
0.63 |
C1=C(C)CC(=O)/C(=C(/CO)\C)/CC=C(C)CC1 |
|
| MCULE-1294118086 |
0.63 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O |
|
| MCULE-4464327459 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O |
|
| MCULE-1660040884 |
0.63 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C |
|
| MCULE-4241274271 |
0.63 |
C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1 |
|
| MCULE-5207755083 |
0.63 |
C1(CCCC=C1)=O |
|
| MCULE-2836304314 |
0.62 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O |
|
| MCULE-7642080407 |
0.62 |
C12C=CC3C4C1C(=O)C1C(C4=O)C3C21 |
|
| MCULE-4307570836 |
0.62 |
C(C)(CCC=C(C)CC/C=C(/C)\C)=CCCC(C)=O |
|
| MCULE-7610148262 |
0.62 |
C1C(C(=O)O)(C)C=CCC1 |
|
| MCULE-9038165616 |
0.62 |
CC(C(O)=O)CC1C2C=CC(CC2)C1 |
|
| MCULE-2447853309 |
0.62 |
C(=CC(=O)C)CCCCC |
|
| MCULE-3937221313 |
0.62 |
C(C=O)=C(CCC=C(C)CC/C=C(\C)/C)C |
|
| MCULE-6313178106 |
0.62 |
C1(=O)C(C(C)(C)C)=CC=C(C(C)(C)C)C1=O |
|
| MCULE-6489078705 |
0.62 |
C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1 |
|
| MCULE-2815659183 |
0.62 |
C1(CCC(C)=CC=CC(C)=O)C(C)(C)CCCC=1C |
|
| MCULE-7417377682 |
0.62 |
OC(C1(CC1)CC1CC=CCC1)=O |
|
| MCULE-1528374574 |
0.62 |
OC(C1(CCC1)CC1CC=CCC1)=O |
|
| MCULE-7072600101 |
0.62 |
C1(C(C)=CCCC1(C)C)C=C(C)C(=O)C |
|
| MCULE-3980671232 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1CC(C)C2(C)C(C)=O |
|
| MCULE-9928356247 |
0.62 |
C12C3C4C5C(C(C(=O)C1=O)C4CC3)C=CC25 |
|
| MCULE-8054022250 |
0.62 |
C(CCCCCCCCC=CCCCCCC)(O)=O |
|
| MCULE-2031804178 |
0.62 |
C1(CCC(C)=O)=C(C)CCC1C(C)=C |
|
| MCULE-3537216178 |
0.62 |
C=CCCC1CCCCCCC=1 |
|
| MCULE-7592205580 |
0.62 |
C(/CCCCCC(C)CC)=C/CCCCC(O)=O |
|
| MCULE-9307860172 |
0.62 |
C(/C)(\CC/C=C(/C)\C)=C/CCC(C)=O |
|
| MCULE-2517446049 |
0.62 |
C(CCCCCCCCCCCC([H])=C([H])CCCCCCCC)(N)=O |
|
| MCULE-2477887012 |
0.62 |
C(C)(CC/C=C(/C)\C)=CCCC(C)=O |
|
| MCULE-9914820446 |
0.62 |
C(/CCCCCCC(C)C)=C/CCCCC(O)=O |
|
| MCULE-5189112501 |
0.62 |
C1(=O)C2C3C4C1C1C=CC5C1C4C1C3C2C(=O)C15 |
|
| MCULE-7821346211 |
0.62 |
C123C4C5C6C(C1(C(=O)CCC2=O)C5C=C4)C=CC36 |
|
| MCULE-8907556285 |
0.62 |
CC(C(CC1CC=CCC1)=O)(N)C |
|
| MCULE-6438933973 |
0.62 |
CC(C(CC1CC=CCC1)=O)(O)C |
|
| MCULE-3257672801 |
0.62 |
CC(C(CC1CC=CCC1)=O)N |
|
| MCULE-9746235107 |
0.62 |
NC(C(N)=O)CC1C2C=CC(CC2)C1 |
|
| MCULE-9248944569 |
0.62 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C |
|
| MCULE-2344618578 |
0.62 |
CC(=O)CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)\C)\C)\C)\C |
|
| MCULE-6918609415 |
0.62 |
C1(C(C)(C)CCCC=1C)CC=C(C)C=O |
|
| MCULE-6641232569 |
0.62 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C |
|
| MCULE-7782959791 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](C)[C@]2(C)C(C)=O |
|
| MCULE-1934054790 |
0.62 |
C(C(C)(C)CC=C(C)CC/C=C(/C)\C)=CC(C)=O |
|
| MCULE-4768757628 |
0.62 |
CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1 |
|
| MCULE-7321817046 |
0.62 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C |
|
| MCULE-8489443115 |
0.62 |
C12CC1(C)C(=O)CC(C)(C)C=C2 |
|
| MCULE-8631883359 |
0.62 |
CC(C(CC1CC=CC1)=O)(C)C |
|
| MCULE-5119823846 |
0.62 |
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N |
|
| MCULE-8037873898 |
0.62 |
C(C)(=CCCC(C)=CCCC(=O)C)CCC=C(C)CC/C=C(\C)/C |
|
| MCULE-2525498529 |
0.62 |
C=CC(CC1CC=CC1)=O |
|
| MCULE-9625917775 |
0.62 |
C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O |
|
| MCULE-8798348917 |
0.62 |
C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC |
|
| MCULE-3069989292 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C |
|
| MCULE-2459463798 |
0.62 |
C1(C/C=C\CC)C(=O)CCC=1C |
|
| MCULE-7702176615 |
0.62 |
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O |
|
| MCULE-9344488087 |
0.62 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O |
|
| MCULE-4063452652 |
0.62 |
C[C@@H](C(CC1CCCC=1)=O)N |
|
| MCULE-4778256781 |
0.62 |
C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C |
|
| MCULE-8315425906 |
0.62 |
CCCCCCC=CCCCCCCCC(N)=O |
|
| MCULE-7761893081 |
0.62 |
C(CCCCCC(=O)O)CC/C=C\CCCCCCCC |
|
| MCULE-5077473579 |
0.62 |
C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC |
|
| MCULE-3046418352 |
0.62 |
CCCCCCCC/C=C/CCCCCCCC(=O)O |
|
| MCULE-2101563329 |
0.62 |
O=C(CCCCCCCC=CCCCCCCCC)N |
|
| MCULE-8191255112 |
0.62 |
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O |
|
| MCULE-6837855043 |
0.62 |
C12(C(C)=O)C3C4C5C(C1(C(C)=O)C4C=C3)C=CC25 |
|
| MCULE-1196525286 |
0.62 |
C[C@H](C(CC1CCCC=1)=O)N |
|
| MCULE-6534635803 |
0.62 |
C12(CC1)C1C=CC2C2C1C(=O)C1C(C2=O)C2C3(CC3)C1C=C2 |
|
| MCULE-6354515204 |
0.62 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1 |
|
| MCULE-8490201471 |
0.62 |
C1(CC=CCC)C(=O)CCC=1C |
|
| MCULE-9547538729 |
0.62 |
CCCCCCCCC=CCCCCCCCC(O)=O |
|
| MCULE-1952094862 |
0.62 |
O=C1CCC(C)=C1C/C=C/CC |
|
| MCULE-7270634760 |
0.62 |
OC(C1C(CC2CC=CCC2)CC1)=O |
|
| MCULE-1670830332 |
0.62 |
C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H] |
|
| MCULE-6935719222 |
0.62 |
OC(C1C(CC2CC=CCC2)CCC1)=O |
|
| MCULE-3248745724 |
0.62 |
C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O |
|
| MCULE-3023312584 |
0.62 |
C1C=CC(C2C=CCCCCC2)CCCC1 |
|
| MolPort-022-856-636 |
0.62 |
COc1ccc2ocnc2c1 |
|
| MCULE-5859140606 |
0.62 |
CC1CC(C(O)=O)(CC2CC=CCC2)C1 |
|
| MolPort-022-856-636 |
0.62 |
COc1ccc2ocnc2c1 |
|
| MCULE-1740726456 |
0.62 |
C/C(/C)=C/CCC1CCCCCCC=1 |
|
| MCULE-1236789578 |
0.62 |
CCCCCCCC/C=C\CCCCCCCC(=O)N |
|
| MCULE-1518212379 |
0.62 |
NC1CC(C(C2CCCCCCC=2)=O)C1 |
|
| MCULE-6044533117 |
0.62 |
OC(CCCCCCC/C=C\CCCCCCCC)=O |
|
| MCULE-1046270451 |
0.62 |
OC(CCCCCCCC=CCCCCCCCC(=O)O)=O |
|
| MCULE-1245933135 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CCC4=C3C=CC2=CC1=O |
|
| MCULE-2886059366 |
0.62 |
CCCCCCCCC=CCCCCCCCCCC(N)=O |
|
| MCULE-4966055907 |
0.62 |
C(/C)(\CC/C=C(\C)/CC/C=C(/C)\C)=C/CCC(C)=O |
|
| MCULE-5532688938 |
0.61 |
C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C |
|
| MCULE-2458381576 |
0.61 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1 |
|
| MCULE-1190191150 |
0.61 |
OC(C1(CC1)CC1C2C=CC(CC2)C1)=O |
|
| MCULE-8288730380 |
0.61 |
C1C(=O)C2C3CCC(C(C)=C3)C=2C(=O)C=1 |
|
| MCULE-7333041840 |
0.61 |
CC(C(CC1CC=CCC1)=O)(F)F |
|
| MCULE-9090579751 |
0.61 |
CC(C(CC1C2C=CC(CC2)C1)=O)(N)C |
|
| MCULE-5554933328 |
0.61 |
CC(C(CC1CC=CCC1)=O)(F)C |
|
| MCULE-9134588789 |
0.61 |
NC1(C(CC2CC=CCC2)=O)CCCC1 |
|
| MCULE-4277041674 |
0.61 |
C1CC23C(=O)C(=O)C(=O)C2(CCCC3)CC=1 |
|
| MCULE-1387376761 |
0.61 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21 |
|
| MolPort-002-513-217 |
0.61 |
COc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc2c(OC)c3ccoc3nc12 |
|
| MolPort-002-512-084 |
0.61 |
COc1c(O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@H]2O)ccc2c(OC)c3ccoc3nc12 |
|
| MolPort-007-550-264 |
0.61 |
COc1c(OC2OC(C)C(O)C(O)C2O)ccc2c(OC)c3ccoc3nc12 |
|
| MCULE-5225374056 |
0.61 |
CC(C(CC1C2C=CC(CC2)C1)=O)O |
|
| MCULE-3321386293 |
0.61 |
N[C@H]1[C@@H](C(C2CCCCC=2)=O)CCC1 |
|
| MCULE-4676598997 |
0.61 |
C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C |
|
| MCULE-8197236760 |
0.61 |
CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C |
|
| MCULE-8575606113 |
0.61 |
C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1 |
|
| MCULE-2718905302 |
0.61 |
C/C(/C)=C/CCC1CCCCCC=1 |
|
| MCULE-6846518311 |
0.61 |
C1=CC2C=CC3C(=C([H])O)C(=O)C1C23 |
|
| MCULE-6552675485 |
0.61 |
C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O |
|
| MCULE-7126044010 |
0.61 |
C1(C(C)(C)C)C(=O)C(C=1C(C)(C)C)=O |
|
| MCULE-4342484758 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CCCC[C@]34C)[C@]1([H])CC(=NO)C2=O)[H] |
|
| MCULE-4205891729 |
0.61 |
C1(/CCCC/1=O)=C1\CCCC\1 |
|
| MCULE-5459126693 |
0.61 |
O=C(C1C2CC(CC2)C1)CC1CC=CC1 |
|
| MCULE-8934502311 |
0.61 |
C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1 |
|
| MCULE-9709274473 |
0.61 |
CC(C=C1C2(CCCCC2)CC1)=O |
|
| MCULE-1122672664 |
0.61 |
CC(C=C1C2(CCCC2)CC1)=O |
|
| MCULE-3390693428 |
0.61 |
C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O |
|
| MCULE-9549608104 |
0.61 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O |
|
| MCULE-1540616337 |
0.61 |
O=C1CCC2C1(C)CCC1C2CC=C2C=CCCC21C |
|
| MCULE-3135517908 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O |
|
| MCULE-5054990207 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O |
|
| MCULE-1412596642 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H] |
|
| MCULE-4801038069 |
0.61 |
NC1CC(C(CC2CC=CCC2)=O)C1 |
|
| MCULE-1046459546 |
0.61 |
FC(C(CC1CC=CCC1)=O)F |
|
| MCULE-2519630522 |
0.61 |
C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C |
|
| MCULE-4374054066 |
0.61 |
C12C(CCC=C(C)CCC1C(C)(C)C2)=C |
|
| MCULE-1785744667 |
0.61 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O |
|
| MCULE-3741444667 |
0.61 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C |
|
| MCULE-2147959975 |
0.61 |
C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1 |
|
| MCULE-1032745782 |
0.61 |
C1=CC2CC1C1C(=O)C2C=CC=C1 |
|
| MCULE-6510021618 |
0.61 |
CC(C(CC1C2C=CC(CC2)C1)=O)N |
|
| MCULE-1925585665 |
0.61 |
NC1(C(CC2CC=CCC2)=O)CC1 |
|
| MCULE-6190050690 |
0.61 |
C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H] |
|
| MCULE-1566569432 |
0.61 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O |
|
| MCULE-5149400241 |
0.61 |
CC(C=C1C(C2CC2)CCCC1)=O |
|
| MCULE-6708778199 |
0.61 |
CC(/C=C1\CCC2(CC2)CC\1)=O |
|
| MCULE-4839802180 |
0.61 |
[C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H] |
|
| MCULE-1251158415 |
0.61 |
[C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |
|
| MCULE-6393727075 |
0.61 |
C12C[C@@H](CC[C@@]1(C)C=CC(=O)C=2C)C(C)=C |
|
| MCULE-6891127079 |
0.61 |
FC(C(CC1CC=CCC1)=O)(F)F |
|
| MCULE-4728366427 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H] |
|
| MCULE-9720211636 |
0.61 |
[C@@]12([H])CCC(C)=CCCC(=C)[C@@]1([H])CC2(C)C |
|
| MCULE-6199732071 |
0.61 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C |
|
| MCULE-7591106214 |
0.61 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C |
|
| MCULE-9624215577 |
0.61 |
FC1(C(CC(C2CCCCC=2)=O)C1)F |
|
| MCULE-5560129850 |
0.61 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C |
|
| MCULE-3533996454 |
0.61 |
C(=CC(CCC=C)=O)C1C(C)(C)CCC=C1C |
|
| MCULE-6305022030 |
0.61 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C |
|
| MCULE-9848650209 |
0.61 |
O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O |
|
| MCULE-5935828232 |
0.61 |
CC1(C(F)(F)C1)CC(C1CCCCC=1)=O |
|
| MCULE-7095338654 |
0.61 |
CC1CC=C(C(CC2C(F)(F)C2)=O)CC1 |
|
| MCULE-2735934269 |
0.61 |
OC1(C(CC2CC=CCC2)=O)CCCC1 |
|
| MCULE-8004127409 |
0.61 |
C1(C2C3C4C2C2C5C6C7C(C54)(C3=O)C21C6C=C7)=O |
|
| MCULE-8264831774 |
0.61 |
NC1(C(CC2CC=CCC2)=O)CCC1 |
|
| MCULE-8997971805 |
0.61 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O |
|
| MCULE-3106478848 |
0.61 |
[C@@]12([H])CCC(C)=CCCC(=C)[C@@]1([H])CC2(C)C |
|
| MCULE-6306556319 |
0.61 |
NCC(CC1C2C=CC(CC2)C1)=O |
|
| MCULE-6729235185 |
0.61 |
C1(C)(C)C(CC=CC(=O)CC)CC=C1C |
|
| MCULE-2546809155 |
0.61 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C |
|
| MCULE-9207192092 |
0.61 |
NC1C(C(CC2CC=CCC2)=O)CCC1 |
|
| MCULE-1283574747 |
0.60 |
C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O |
|
| MCULE-1505073195 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C |
|
| MCULE-9857200349 |
0.60 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O |
|
| MCULE-4188975486 |
0.60 |
O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+] |
|
| MCULE-8056155072 |
0.60 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O |
|
| MCULE-3750924928 |
0.60 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1 |
|
| MCULE-2700455616 |
0.60 |
C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O |
|
| MCULE-1076445196 |
0.60 |
C1(/CCCCC/1)=C/CCC(C)=O |
|
| MCULE-6957829896 |
0.60 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O |
|
| MCULE-6700194065 |
0.60 |
C(/C(=O)C1CC1)=C(\C)/C1CC1 |
|
| MCULE-4937917272 |
0.60 |
CC1(C(C(CC2CC=CC2)=O)C1)C |
|
| MCULE-8629297693 |
0.60 |
C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C |
|
| MCULE-1509278335 |
0.60 |
[C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1 |
|
| MCULE-6464655857 |
0.60 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C |
|
| MCULE-6473008384 |
0.60 |
[C@@]12(C#N)CCC(=O)C=C1C(C)(C)CC[C@H]2C(=C)C |
|
| MCULE-5049403375 |
0.60 |
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-1144217583 |
0.60 |
C1(C=O)CCC(CCCC(O)(C)C)=CC1 |
|
| MCULE-5903352413 |
0.60 |
CCCCCC1CC(=CC(=O)C1)O |
|
| MCULE-6193286520 |
0.60 |
CC1C=CC2C1C1C=CC2C1 |
|
| MCULE-7518217448 |
0.60 |
[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-9355268312 |
0.60 |
C12C=C(CC1C1CC2C(=C1)C)C |
|
| MCULE-2400907851 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O |
|
| MCULE-2093338891 |
0.60 |
C1(=O)/C(=C2\CCCC\2)/CC/C/1=C1\CCCC\1 |
|
| MCULE-9707443606 |
0.60 |
C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O |
|
| MCULE-4673155716 |
0.60 |
C(/C1=C(C(=O)CCC1(C)C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C |
|
| MCULE-5384515579 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O |
|
| MCULE-8669270506 |
0.60 |
C(C(=O)C1CC1)=C(C)C1CC1 |
|
| MCULE-1918074338 |
0.60 |
C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C |
|
| MCULE-3664047551 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O |
|
| MCULE-8120653180 |
0.60 |
C1(CC)(CC)C2C(C3CC2C=C3)C=C1 |
|
| MCULE-2893862044 |
0.60 |
[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC |
|
| MCULE-7916341231 |
0.60 |
[C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O |
|
| MCULE-1153477483 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O |
|
| MCULE-9150714373 |
0.60 |
C1(C(C)(C)CCCC=1C)C(O)=O |
|
| MCULE-5327458615 |
0.60 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1 |
|
| MCULE-1960015964 |
0.60 |
O=C(C1CCC1)CC1CC=CC1 |
|
| MCULE-1042513157 |
0.60 |
NC1(C(CC2C3C=CC(CC3)C2)=O)CC1 |
|
| MCULE-3473010637 |
0.60 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1 |
|
| MCULE-2467601128 |
0.60 |
C1(CCCCCCCCCCCCC(=O)O)C=CCC1 |
|
| MCULE-5113003290 |
0.60 |
OC(C1CC2CC(CC=C2)C1)=O |
|
| MCULE-3685662720 |
0.60 |
O=C(C1C(C)(C)CCCC=1C)Cl |
|
| MCULE-2787902394 |
0.60 |
C=CC1C2C=CC(C2)C1 |
|
| MCULE-7478589994 |
0.60 |
O=C1C2(C)C(C3C(CC2)C2(C)C(CCCC2)=CC3)CC1F |
|
| MCULE-2012587344 |
0.60 |
C1=CC2C3C4C5C(C(=O)C(=O)C2C4C=C5)C13 |
|
| MCULE-2411412323 |
0.60 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C |
|
| MCULE-2345630920 |
0.60 |
CC(C(CC1C2C=CC(CC2)C1)=O)(F)C |
|
| MCULE-9468460485 |
0.60 |
C/C(/C)=C/C(CC1C(N)CCC1)=O |
|
| MCULE-9162899306 |
0.60 |
CC1(C(CC2CC=CC2)=O)CC1 |
|
| MCULE-2579370760 |
0.60 |
C12CCCCC1(C)C=CC1=C(C)C(=O)CCC21 |
|
| MCULE-7880412465 |
0.60 |
C(O)(C(C1CCCC=1)CCC)=O |
|
| MCULE-3415595752 |
0.60 |
C1(C)C2(C(C)(C3(C)C(C)=C(C)C23C)C=1C)C |
|
| MCULE-9069962871 |
0.60 |
C12C=CCC1C1CC2C=C1 |
|
| MCULE-3585111676 |
0.60 |
C/C(/C)=C/C(C[C@H]1[C@H](N)CCC1)=O |
|
| MCULE-2554095482 |
0.60 |
FC(C(CC1C2C=CC(CC2)C1)=O)(F)F |
|
| MCULE-4656356934 |
0.60 |
FC(C(CC1C2C=CC(CC2)C1)=O)F |
|
| MCULE-5623444215 |
0.60 |
C1(C2C=CC(C34C=CC23CC=CC4)C1C)C |
|
| MCULE-5237148453 |
0.60 |
C1=CC2C3C=CC3C1C(C)C2C |
|
| MCULE-7297514190 |
0.60 |
C1C(=O)C(=C(C)N)CCCCC1 |
|
| MCULE-4504483614 |
0.60 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1 |
|
| MCULE-3023805815 |
0.60 |
C12(CC=C(C(=O)C1)C)C(=C)CCC(Br)C2(C)C |
|
| MCULE-9765892541 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O |
|
| MCULE-3945470935 |
0.60 |
CC1C(C(CC2CC=CC2)=O)C1 |
|
| MCULE-8591003562 |
0.60 |
O=C(C1CC1)CC1CC=CC1 |
|
| MCULE-9341616847 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O |
|
| MCULE-6839835548 |
0.60 |
C1C(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)=C(C)C(=O)C1 |
|
| MCULE-3024404931 |
0.60 |
NC1CC(C(C2CCCCCC=2)=O)C1 |
|
| MCULE-3600108582 |
0.60 |
CC1CC(C(CC2CC=CC2)=O)C1 |
|
| MCULE-2611969931 |
0.60 |
[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1 |
|
| MCULE-8877595522 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H] |
|
| MCULE-7424334706 |
0.60 |
C1=CC2C3C(C)=C(C)C3C1CC2 |
|
| MCULE-7147126046 |
0.60 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1 |
|
| MCULE-8721851502 |
0.60 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C |
|
| MCULE-3222494622 |
0.60 |
C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O |
|
| MCULE-4737898468 |
0.60 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O |
|
| MCULE-5426201745 |
0.60 |
C1/C(=C/CC(=O)CO)/CCCCC1 |
|
| MCULE-4126828958 |
0.60 |
CC1(C(C)(C)C1C(CC1CC=CC1)=O)C |
|
| MCULE-8492776496 |
0.60 |
FC1(CC(C(CC2CC=CCC2)=O)C1)F |
|
| MCULE-2797527002 |
0.60 |
C1(C(=O)O)=CCC(CCCCCC)CC1 |
|
| MCULE-4914143446 |
0.60 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O |
|
| MCULE-5025931577 |
0.60 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O |
|
| MCULE-7315284280 |
0.60 |
CC(C(CC1C2C=CC(CC2)C1)=O)(F)F |
|
