0 B15R2.180125 CC(=O)NC1CC2CCC1(C2(C)C)C MCULE-8795955820 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.180125 CC(=O)OC1CC2CCC1(C2(C)C)C MCULE-5021705670 [0,0,0,0,0,0|0,0,0]=0 2 B15R2.180125 CC(=O)O[C@@H]1CC2CCC1(C2(C)C)C MCULE-9320973563 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.180125 CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C MCULE-5122585816 [0,0,0,0,0,0|0,0,0]=0 4 B15R2.180125 CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C MCULE-9201347128 [0,0,0,0,0,0|0,0,0]=0 5 B15R2.180125 CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C MCULE-8689325812 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.180125 CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C MCULE-9253446234 [0,0,0,0,0,0|0,0,0]=0 7 B15R2.180125 CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C MCULE-9568794332 [0,0,0,0,0,0|0,0,0]=0 8 B15R2.180125 CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C MCULE-9619850136 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.180125 [C@H]12CC[C@](C1(C)C)([C@@H](C2)OC(=O)C)C MCULE-8662350088 [0,0,0,0,0,0|0,0,0]=0 10 B14R2.27073 CC1(C2CCC1(C(C2)OC=O)C)C MCULE-4460409781 [1,0,0,0,0,0|0,0,0]=1 11 B14R2.27073 [C@H]12CC[C@](C1(C)C)([C@@H](C2)OC=O)C MCULE-5318083494 [1,0,0,0,0,0|0,0,0]=1 12 B14R2.27073 [C@H]12CC[C@](C1(C)C)([C@@H](C2)OC=O)C MCULE-7501578277 [1,0,0,0,0,0|0,0,0]=1 13 B16R2.126505 CC(=O)OC1CC2C(=O)CC1(C2(C)C)C MCULE-5503440146 [0,1,0,0,0,0|0,0,1]=2 14 B16R2.457032 C=CC(=O)NC1CC2CCC1(C2(C)C)C MCULE-8790920417 [0,1,0,0,0,0|1,0,1]=3 15 B16R2.457032 C=CC(=O)OC1CC2CCC1(C2(C)C)C MCULE-7885860212 [0,1,0,0,0,0|0,0,1]=2 16 B16R2.457032 C=CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C MCULE-1549827937 [0,1,0,0,0,0|0,0,1]=2 17 B16R2.457032 CC1(C2CCC1(C(C2)NC(=O)CCl)C)C MCULE-1295607333 [0,1,0,0,0,0|1,0,0]=2 18 B16R2.457032 [C@H]12CC[C@](C1(C)C)([C@@H](C2)OC(=O)C=C)C MCULE-1261452103 [0,1,0,0,0,0|0,0,1]=2 19 B14R1.676 C=C(C)C1CCC(C(C1)OC(=O)C)C MCULE-8764003404 [0,0,1,0,0,0|0,0,2]=3 20 B14R1.9551 CC1CCC(C1(C)C)CCCC(=O)O MCULE-2280410428 [0,0,1,0,0,0|2,0,0]=3 21 B16R3.510620 CC1(C2CCC13CS(=O)(=O)NC3C2)C MCULE-8812725595 [0,0,0,1,0,0|3,0,0]=4 22 B16R3.510620 CC1(C2CC[C@@]13CS(=O)(=O)N[C@H]3C2)C MCULE-3520040295 [0,0,0,1,0,0|3,0,0]=4 23 B16R3.510620 CC1([C@@H]2CC[C@]13CS(=O)(=O)N[C@@H]3C2)C MCULE-8389491322 [0,0,0,1,0,0|3,0,0]=4 24 B16R3.510620 CC1([C@H]2CC[C@]13CS(=O)(=O)N[C@H]3C2)C MCULE-3757243722 [0,0,0,1,0,0|3,0,0]=4 25 B16R3.510620 [C@@H]12CC3CCC1(C3(C)C)CS(=O)(=O)N2 MCULE-4922227904 [0,0,0,1,0,0|3,0,0]=4 26 B16R3.510620 [C@@H]12CCC3(C1(C)C)CS(=O)(=O)N[C@H]3C2 MCULE-1901218284 [0,0,0,1,0,0|3,0,0]=4 27 B16R3.510620 [C@@H]12CCC3(C1(C)C)CS(=O)(=O)N[C@H]3C2 MCULE-7950305165 [0,0,0,1,0,0|3,0,0]=4 28 B16R3.510620 [C@@H]12CC[C@@]3(C1(C)C)CS(=O)(=O)N[C@@H]3C2 MCULE-8924588653 [0,0,0,1,0,0|3,0,0]=4 29 B16R3.510620 [C@@H]12CC[C@@]3(C1(C)C)CS(=O)(=O)N[C@H]3C2 MCULE-1729528559 [0,0,0,1,0,0|3,0,0]=4 30 B16R3.510620 [C@@H]12CC[C@@]3(C1(C)C)CS(=O)(=O)N[C@H]3C2 MCULE-1925470462 [0,0,0,1,0,0|3,0,0]=4 31 B16R3.510620 [C@@H]12CC[C@]3(C1(C)C)CS(=O)(=O)N[C@H]3C2 MCULE-5363186781 [0,0,0,1,0,0|3,0,0]=4 32 B16R3.510620 [C@@H]12CC[C@]3(C1(C)C)CS(=O)(=O)N[C@H]3C2 MCULE-6375258326 [0,0,0,1,0,0|3,0,0]=4 33 B16R3.510620 [C@H]12CC[C@@]3(C1(C)C)CS(=O)(=O)N[C@@H]3C2 MCULE-1980900824 [0,0,0,1,0,0|3,0,0]=4 34 B16R3.510620 [C@H]12C[C@H]3CC[C@]1(C3(C)C)CS(=O)(=O)N2 MCULE-7244339421 [0,0,0,1,0,0|3,0,0]=4 35 B14R2.62291 CC1(C2CCC1(C(C2)C(=O)O)C)C MCULE-1375261431 [0,0,0,0,1,0|1,0,0]=2 36 B14R2.62291 CC1(C2CCC1(C(C2)C(=O)O)C)C MCULE-7495383968 [0,0,0,0,1,0|1,0,0]=2 37 B16R2.402079 CC(=O)NN=C1CC2CCC1(C2(C)C)C MCULE-5701370535 [0,0,0,0,0,1|1,0,1]=3 38 B16R2.402079 CC12CCC(C1(C)C)CC2=NNC(=O)N MCULE-9277941458 [0,0,0,0,0,1|2,0,1]=4 39 B16R2.402079 CC12CCC(C1(C)C)CC2=NOC(=O)O MCULE-3353194912 [0,0,0,0,0,1|1,0,1]=3 40 B16R2.402079 CC1\2CCC(C1(C)C)C/C2=N\NC(=O)N MCULE-8920397814 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.6173 C1(CC2CCC1(C2(C)C)C)NC MCULE-9305711062 [2,0,0,0,0,0|1,0,0]=3 42 B13R2.6173 CC1(C2CCC1(C(C2)NN)C)C MCULE-1591262808 [2,0,0,0,0,0|2,0,0]=4 43 B13R2.6173 CC1(C2CCC1(C(C2)NN)C)C MCULE-8856533336 [2,0,0,0,0,0|2,0,0]=4 44 B15R2.132059 C=CCC1(CC2CCC1(C2(C)C)C)O MCULE-2796363664 [1,1,0,0,0,0|1,0,1]=4 45 B15R2.160558 CC1(C2CCC1(C(C2)(N)C(=O)O)C)C MCULE-1172488566 [0,1,0,0,1,0|1,0,0]=3 46 B17R2.1096934 CC1(C2CCC1(C(C2)OCC(O)CCl)C)C MCULE-2542926400 [0,1,0,0,0,1|0,0,2]=4 47 B17R2.1096934 CC12CCC(C1(C)C)CC2=NNC(=O)CCl MCULE-4245786161 [0,1,0,0,0,1|1,0,1]=4 48 B17R2.1402471 C=C(C)C(=O)OC1CC2CCC1(C2(C)C)C MCULE-5649646370 [0,1,0,0,0,1|1,0,0]=3 49 B17R2.1402471 [C@H]12CC[C@](C1(C)C)(C(C2)OC(=O)C(=C)C)C MCULE-5135945534 [0,1,0,0,0,1|1,0,0]=3 50 B17R2.1402471 [C@H]12CC[C@](C1(C)C)([C@@H](C2)OC(=O)C(=C)C)C MCULE-7546155874 [0,1,0,0,0,1|1,0,0]=3 51 B17R2.1402471 [C@H]12CC[C@](C1(C)C)([C@@H](C2)OC(=O)C(=C)C)C MCULE-8584409225 [0,1,0,0,0,1|1,0,0]=3 52 B17R2.1243598 CCCC(=O)OC1CC2CCC1(C2(C)C)C MCULE-4042969231 [0,2,0,0,0,0|0,0,0]=2 53 B17R2.1243598 CCCC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C MCULE-3229221728 [0,2,0,0,0,0|0,0,0]=2 54 B17R2.958165 CN(C)CCOC1CC2CCC1(C2(C)C)C MCULE-3082468424 [0,0,0,0,0,2|2,0,0]=4 55 B17R2.958165 C[NH+](C)CCOC1CC2CCC1(C2(C)C)C MCULE-3177038106 [0,0,0,0,0,2|2,0,0]=4