0 B11R1.21 CC(=C)C1CC=C(C(=O)C1)C 1P006O6W [0,0,0,0,0,0|0,0,2]=2 1 B11R1.21 CC(=C)C1CC=C(C(C1)O)C 1P00351N [0,0,0,0,0,0|0,0,0]=0 2 B11R1.21 CC(=C)C1CCC(=C(C1)C)C 1P01C4WJ [0,0,0,0,0,0|1,0,2]=3 3 B11R1.21 CC(=C)C1CCC(C(=O)C1)C 1P003BTF [0,0,0,0,0,0|0,0,4]=4 4 B11R1.21 CC(=C)[C@@H]1CC=C(C(=O)C1)C 1P00IBVO [0,0,0,0,0,0|0,0,2]=2 5 B11R1.21 CC(=C)[C@@H]1CC[C@H](C(=O)C1)C 1P003BTG [0,0,0,0,0,0|0,0,4]=4 6 B11R1.21 CC(=C)[C@H]1CC=C(C(=O)C1)C 1P00BVQH [0,0,0,0,0,0|0,0,2]=2 7 B11R1.21 CC(=C)[C@H]1CC=C([C@H](C1)O)C 1P008OHY [0,0,0,0,0,0|0,0,0]=0 8 B11R1.21 CC(=C)[C@H]1CCC(=C)C(C1)O 1P01OKXN [0,0,0,0,0,0|0,0,2]=2 9 B11R1.21 CC(=C)[C@H]1CCC(=C)[C@@H](C1)O 1P00801U [0,0,0,0,0,0|0,0,2]=2 10 B11R1.21 CC(C1CC=C(C(=O)C1)C)C 1P00E3MO [0,0,0,0,0,0|0,0,4]=4 11 B11R1.21 CC(C1CCC(C(C1)O)C)C 1P01BNTI [0,0,0,0,0,0|0,0,4]=4 12 B10R1.13 CC1=CCC(CC1)C(=C)C 1P003PDG [1,0,0,0,0,0|0,0,0]=1 13 B10R1.13 CC1=CCC(CC1)C(=O)C 1P0039HB [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 CC1=CCC(CC1)C(=O)O 1P00DFK5 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC1=CCN(CC1)C(=O)C 1P024UM6 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC1=CC[C@@H](CC1)C(=C)C 1P0039WQ [1,0,0,0,0,0|0,0,0]=1 17 B10R1.13 CC1=CC[C@H](CC1)C(=C)C 1P003CUU [1,0,0,0,0,0|0,0,0]=1 18 B10R1.13 CC1=CC[C@H](CC1)C(=O)O 1P028RVY [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 CN1CCC(CC1)C(=O)C 1P002J8H [1,0,0,0,0,0|2,0,1]=4 20 B10R1.113 O[C@@H]1C=CC[C@@H](C1)C(=O)O 1P027V1F [1,0,0,0,0,0|2,0,0]=3 21 B10R1.113 O[C@H]1C=CC[C@H](C1)C(=O)O 1P0291JH [1,0,0,0,0,0|2,0,0]=3 22 B12R1.367 COC(=O)C1CCC(C(C1)O)C 1P028YJJ [0,1,0,0,0,0|1,0,2]=4 23 B12R1.1005 CC(=C)[C@H]1CC(=C(C(=O)C1)C)C 1P01DX6X [0,1,0,0,0,0|0,0,2]=3 24 B12R2.3180 CC(=C)C1CCC2(C(C1)O2)C 1P000JCW [0,0,0,1,0,0|0,0,2]=3 25 B12R2.3180 CC(=C)[C@@H]1CCC2(C(C1)O2)C 1P0032TM [0,0,0,1,0,0|0,0,2]=3 26 B12R2.3180 CC(=C)[C@@H]1CC[C@@]2(C(C1)O2)C 1P00DEPK [0,0,0,1,0,0|0,0,2]=3 27 B12R2.3180 CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C 1P00FBOY [0,0,0,1,0,0|0,0,2]=3 28 B9R0.13 C\C=C\CC(C(=O)O)CC 1P0288U8 [1,0,1,0,0,0|2,0,0]=4 29 B9R0.1 COC(=O)CCCC(=C)C 1P00CL9U [1,0,1,0,0,0|2,0,0]=4 30 B9R0.47 C=CCCCC(C(O)C)C 1P01B62O [1,0,1,0,0,0|0,0,2]=4 31 B9R0.47 CC(C(=O)OCCC=C)O 1P005E3M [1,0,1,0,0,0|2,0,0]=4 32 B9R1.1 NCC1CCC(=CC1)C 1P028B3U [2,0,0,0,0,0|1,0,1]=4 33 B9R1.1 OCC1CCC(=CC1)C 1P00C92H [2,0,0,0,0,0|1,0,1]=4 34 B9R1.6 CC(=O)C1CCC=CC1 1P005NHC [2,0,0,0,0,0|1,0,0]=3 35 B9R1.6 CC(=O)N1CCC=CC1 1P01G6KC [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 NC(=N)C1CCC=CC1 1P01A0KD [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 NC(=O)C1CCC=CC1 1P00D9E5 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 OC(=O)C1CCC=CC1 1P00345H [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 OC(=O)[C@@H]1CCC=CC1 1P003822 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 OC(=O)[C@H]1CCC=CC1 1P00393M [2,0,0,0,0,0|2,0,0]=4 41 B9R1.69 CC1CCC(C(C1)O)C 1P003GGI [2,0,0,0,0,0|0,0,2]=4 42 B11R1.3 NCC1=CC[C@H](CC1)C(=C)C 1P028H3O [1,1,0,0,0,0|0,0,0]=2 43 B11R1.3 O=CC1=CC[C@H](CC1)C(=C)C 1P0022DR [1,1,0,0,0,0|0,0,1]=3 44 B11R1.3 OCC1=CCC(CC1)C(=C)C 1P00394L [1,1,0,0,0,0|0,0,0]=2 45 B11R1.3 OCC1=CC[C@H](CC1)C(=C)C 1P00AP9Q [1,1,0,0,0,0|0,0,0]=2 46 B11R1.19 CC1=CCC(CC1)C(O)(C)C 1P006RNV [1,1,0,0,0,0|0,0,2]=4 47 B11R1.19 CC1=CC[C@H](CC1)C(O)(C)C 1P00HAVF [1,1,0,0,0,0|0,0,2]=4 48 B11R1.166 CC1=CCC(C(C1)O)C(C)C 1P01S54N [1,1,0,0,0,0|0,0,2]=4 49 B11R1.166 CC1CCC(C(C1)O)C(=C)C 1P00GS0T [1,1,0,0,0,0|0,0,2]=4 50 B11R1.220 CC1=CCC(CC1)(C)C(=O)C 1P00DHLQ [1,1,0,0,0,0|1,0,0]=3 51 B11R1.220 CC1=CCC(CC1)(C)C(=O)O 1P001XIU [1,1,0,0,0,0|2,0,0]=4 52 B11R1.220 CC1=CCC(CC1)(O)C(C)C 1P00DEG0 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.220 CC1=CC[C@@](CC1)(O)C(C)C 1P002DRA [1,1,0,0,0,0|0,0,2]=4 54 B11R1.220 CC1=CC[C@](CC1)(O)C(C)C 1P003BU2 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.727 CC(=C)C1CCC(CC1)(C)O 1P01DE0C [1,1,0,0,0,0|0,0,2]=4 56 B11R1.727 CC(=C)[C@@H]1CC[C@](C=C1)(C)O 1P002M78 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.727 CC(=C)[C@H]1CC[C@@](C=C1)(C)O 1P00G9YW [1,1,0,0,0,0|0,0,2]=4 58 B11R1.23 COC(=O)[C@H]1CC=C[C@H](C1)N 1P027U8Q [1,1,0,0,0,0|2,0,0]=4 59 B11R1.23 COC(=O)[C@H]1CC=C[C@H](C1)O 1P01EBUJ [1,1,0,0,0,0|1,0,0]=3 60 B13R1.298 N#CC1C[C@H](CC(=O)C1C)C(=C)C 1P01EML9 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.81 OCCc1ccc(cc1C)C 1P00FHXN [0,0,1,1,0,0|0,0,2]=4 62 B11R1.81 OCCc1ncc(cc1C)C 1P01C55E [0,0,1,1,0,0|1,0,1]=4 63 B11R2.39 CC1=CCC2C(C1)C2(C)C 1P00343X [1,0,0,1,0,0|0,0,2]=4 64 B11R2.533 CC1=CCC2CC1C2(C)C 1P003O97 [1,0,0,1,0,0|0,0,2]=4 65 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C 1P005F7Y [1,0,0,1,0,0|0,0,2]=4 66 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C 1P005FB4 [1,0,0,1,0,0|0,0,2]=4 67 B11R2.845 CC(=O)C1CC2CC1C=C2 1P003MSH [1,0,0,1,0,0|2,0,0]=4 68 B11R2.845 OC(=O)[C@@H]1C[C@@H]2O[C@H]1C=C2 1P0288HO [1,0,0,1,0,0|2,0,0]=4 69 B11R2.845 OC(=O)[C@@H]1C[C@H]2O[C@@H]1C=C2 1P0280BJ [1,0,0,1,0,0|2,0,0]=4