0 B10R1.329 CC1(C)CC(=O)NC(=O)N1 F17286 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.329 CC1CC(Br)CC(C)(C)C1 AT10305 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.329 CC1CC(N)CC(C)(C)C1 A12109 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.34 CC1CC(=O)CC(C)S1 89934 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.66 CC1(C)CC(=O)CCS1 89936 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [1,0,0,0,0,0|0,0,3]=4 11 B11R1.325 CC1CC(=O)CC(C)(C)C1O E71662 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.1361 CC1=C(C)C(=O)OC(C)(C)O1 T73024 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.44 C=CCC(=O)CC(C)(C)C F30715 [0,0,1,0,0,0|0,0,2]=3 14 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.44 CONC(=O)OC(C)(C)C O12143 [0,0,1,0,0,0|3,0,0]=4 16 B11R2.1632 CC1(C)CC(=O)C2OC2C1 F12446 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.36 C[C@H]1CC(C)(C)NC1=O AT26047 [0,0,0,0,1,0|1,0,1]=3 18 B9R1.38 CC1(C)NC(=O)CC1=O 78084 [0,0,0,0,1,0|2,0,1]=4 19 B9R1.38 CC1(C)NC(=O)OC1=O AC6402 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.38 CC1=CC(=O)OC1(C)C D75456 [0,0,0,0,1,0|1,0,0]=2 21 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [0,0,0,0,1,0|0,0,2]=3 22 B8R0.5 CCCC(=O)CC(C)C T72726 [1,0,1,0,0,0|0,0,2]=4 23 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,0,1,0,0,0|1,0,1]=4 24 B8R0.24 C=C[C@@H](C)CC(C)(C)C T72472 [1,0,1,0,0,0|0,0,1]=3 25 B8R0.24 COC(=O)CC(C)(C)N C77552 [1,0,1,0,0,0|2,0,0]=4 26 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [1,0,1,0,0,0|1,0,0]=3 27 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [1,0,1,0,0,0|1,0,0]=3 28 B8R0.28 CN(C)C\C=C\C(N)=O D73436 [1,0,1,0,0,0|2,0,0]=4 29 B8R1.4 CN1CCCC(=O)C1 C14007 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [2,0,0,0,0,0|0,0,2]=4 32 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [2,0,0,0,0,0|1,0,1]=4 33 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [2,0,0,0,0,0|1,0,0]=3 34 B10R0.28 CC(C)(C)CC(=O)NCCN F21228 [0,1,1,0,0,0|1,0,1]=4 35 B10R0.28 CC(C)(C)OC(=O)\C=C\CBr O10152 [0,1,1,0,0,0|1,0,0]=3 36 B10R0.28 CC(C)(C)OC(=O)\C=C\CBr O12135 [0,1,1,0,0,0|1,0,0]=3 37 B10R0.37 COC(=O)C(=O)OC(C)(C)C S10647 [0,1,1,0,0,0|2,0,0]=4 38 B10R0.44 CC[C@H](C)C\C(C)=C\C(=O)O C15343 [0,1,1,0,0,0|1,0,0]=3 39 B10R1.147 CC1=CC(C)(C)CCC1=O 90811 [1,1,0,0,0,0|0,0,2]=4 40 B10R1.33 CC1(C)CC(Cl)=C(C=O)C1 AC9522 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.36 CC1(C)C[C@H](CO)NC1=O AT19157 [0,1,0,0,1,0|1,0,1]=4 42 B10R1.272 CC1(C)CC(=O)CC1(C)C AC6357 [0,1,0,0,1,0|0,0,2]=4 43 B10R1.339 CC1NC(=O)C(C)(C)C1O 94944 [0,1,0,0,1,0|1,0,1]=4 44 B12R1.3828 CCC1(CC)CC(=O)NC(=O)C1 AC4167 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.373 CC(C)(C)CC(=O)C1CC1 F30716 [0,0,1,1,0,0|0,0,2]=4 46 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O 27464 [0,0,1,1,0,0|2,0,0]=4 47 B10R2.63 CN1CC2CC(=O)C1C2 F13927 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.3022 O=C1CC2(CCC2)CC(=O)N1 D73898 [0,1,0,1,0,0|2,0,0]=4 49 B8R0.14 CNCC(=O)C(C)(C)C F50925 [0,0,1,0,1,0|1,0,1]=4 50 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,0,1,0,1,0|0,0,1]=3 51 B8R0.12 CSCC(C)(C)C(=O)O W18315 [0,0,1,0,1,0|2,0,0]=4 52 B8R1.18 CC1=CC(=O)NN1C AT14000 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.18 CC1CC(=O)OC1C AC8330 [1,0,0,0,1,0|1,0,1]=4 54 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [1,0,0,0,1,0|1,0,0]=3 57 B8R1.51 CC1(C)CC(=O)CO1 P20320 [1,0,0,0,1,0|1,0,1]=4 58 B8R1.51 CC1(C)CC(=O)CS1 31047 [1,0,0,0,1,0|1,0,1]=4 59 B10R1.63 CC1=CC(=O)CCC1(C)C 90807 [0,0,0,0,1,1|0,0,0]=2