0 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [0,0,0,0,0,0|2,0,1]=3 1 B8R1.18 CC1CC(S)C(C)O1 2367AB [0,0,0,0,0,0|0,0,0]=0 2 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,0,0,0|2,0,1]=4 3 B7R1.2 CN1CC[C@H](N)C1 7273AD [1,0,0,0,0,0|3,0,0]=4 4 B7R1.2 CN1CC[C@H](N)C1 9108AH [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 C[C@@H]1C[C@@H](O)CN1 0634AC [1,0,0,0,0,0|1,1,0]=3 6 B7R1.2 C[C@H]1CC[C@@H](C)C1 7413AL [1,0,0,0,0,0|1,0,0]=2 7 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [1,0,0,0,0,0|1,1,0]=3 8 B7R1.2 NC1CCC(O)C1 6561AA [1,0,0,0,0,0|2,1,0]=4 9 B7R1.2 N[C@@H]1CC[C@H](O)C1 0868AA [1,0,0,0,0,0|2,1,0]=4 10 B7R1.2 N[C@H]1CC[C@H](O)C1 Z1703 [1,0,0,0,0,0|2,1,0]=4 11 B7R1.2 O=C1C[C@@H](S)CN1 1221AL [1,0,0,0,0,0|2,0,1]=4 12 B7R1.4 BrC1CCCC1Br 1288AQ [1,0,0,0,0,0|3,0,0]=4 13 B7R1.4 CC1CNCC1C 1532AC [1,0,0,0,0,0|3,0,0]=4 14 B7R1.4 CC1CNCC1C 7526AB [1,0,0,0,0,0|3,0,0]=4 15 B7R1.4 NC1CCCC1N 3230AL [1,0,0,0,0,0|3,0,0]=4 16 B7R1.4 N[C@H]1CCC[C@H]1O 3503AB [1,0,0,0,0,0|2,1,0]=4 17 B9R1.38 CC1CC(=O)C(C)(C)C1 5090AL [0,1,0,0,0,0|1,1,1]=4 18 B7R0.2 CC(CO)CN(C)C 0615AE [0,0,1,0,0,0|2,1,0]=4 19 B7R0.2 CC[C@@H](C)CC(=O)O 8695AA [0,0,1,0,0,0|2,0,1]=4 20 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,0,1,0,0,0|2,0,1]=4 21 B7R0.5 CCCC(C)C(C)=O 2081AB [0,0,1,0,0,0|1,0,2]=4 22 B7R0.5 CCCC(C)C(C)C 5237AL [0,0,1,0,0,0|2,0,0]=3 23 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=N)C(C)C 8345AC [0,0,1,0,0,0|2,0,1]=4 25 B7R0.5 CCOC(O)C(F)F 7426AA [0,0,1,0,0,0|3,0,0]=4 26 B7R0.5 COCC(N)C(C)C 0220AD [0,0,1,0,0,0|3,0,0]=4 27 B7R0.5 COC[C@@H](N)C(C)C 8567AH [0,0,1,0,0,0|3,0,0]=4 28 B7R0.5 COC[C@H](N)C(C)C 8543AH [0,0,1,0,0,0|3,0,0]=4 29 B7R0.7 CCC[C@H](N)CCO 0636AC [0,0,1,0,0,0|2,1,0]=4 30 B7R0.7 CCC[C@H](N)CCO 9828AB [0,0,1,0,0,0|2,1,0]=4 31 B9R2.39 ClC1CC2CCC1C2 1378AQ [0,0,0,1,0,0|2,0,0]=3 32 B9R2.39 [C@H]12C=C(C)[C@H](CC1)C2 2133AL [0,0,0,1,0,0|2,0,1]=4 33 B9R1.34 CC1CC(O)CC(C)N1 6441AB [0,0,0,0,0,1|1,1,0]=3 34 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3928AJ [0,0,0,0,0,1|1,1,1]=4 35 B9R1.69 C[C@H]1CN[C@H](C)CN1C 2499AA [0,0,0,0,0,1|3,0,0]=4 36 B6R0.1 CC(CN)CCN 8800AC [1,0,1,0,0,0|2,0,0]=4 37 B6R0.1 CCCC(Cl)CC 6028AL [1,0,1,0,0,0|1,0,0]=3 38 B6R0.1 CCCC(Cl)CCl 7311AF [1,0,1,0,0,0|2,0,0]=4 39 B6R0.1 CCNC(C)CO 8218AD [1,0,1,0,0,0|1,1,0]=4 40 B6R0.1 CCOC(C)CO 2072AL [1,0,1,0,0,0|0,1,0]=3 41 B6R0.1 CCOC(Cl)CCl V0733 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.1 COC[C@H](C)CO 5230AC [1,0,1,0,0,0|2,0,0]=4 43 B6R0.1 OCC[C@@H](O)CO W7968 [1,0,1,0,0,0|1,1,0]=4 44 B6R0.2 CC(Br)CC(C)Br 5299AL [1,0,1,0,0,0|2,0,0]=4 45 B6R0.2 CC(C)=CC(C)C 5316AL [1,0,1,0,0,0|1,0,1]=4 46 B6R0.4 CC(N)CCCN U481 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.4 CCCC[Sn](=O)O 8518AL [1,0,1,0,0,0|2,0,0]=4 48 B6R0.4 CCOCC(C)N 0535AD [1,0,1,0,0,0|1,0,0]=3 49 B6R1.2 BrC1CCNC1 Z2707 [2,0,0,0,0,0|2,0,0]=4 50 B6R1.2 CC1=CCCO1 0728AQ [2,0,0,0,0,0|0,0,2]=4 51 B6R1.2 ClC1CCOC1 X2032 [2,0,0,0,0,0|1,0,0]=3 52 B6R1.2 OC1CCSC1 Y1949 [2,0,0,0,0,0|0,2,0]=4 53 B6R1.2 OC1CNOC1 0177AF [2,0,0,0,0,0|1,1,0]=4 54 B8R0.16 COC(CC(C)O)OC 6025AJ [0,1,1,0,0,0|1,1,0]=4 55 B8R0.19 CCC(C)CC(C)CC 5938AL [0,1,1,0,0,0|2,0,0]=4 56 B8R0.34 CC(C)NC(C)(C)CN 8306AH [0,1,1,0,0,0|2,0,0]=4 57 B8R0.3 C#CC(O)C(C)CCC 1144AQ [0,1,1,0,0,0|1,0,1]=4 58 B8R0.3 CCCC(C)C(C)CC 5906AL [0,1,1,0,0,0|2,0,0]=4 59 B8R0.14 CCCC(O)C(C)(C)C 7988AF [0,1,1,0,0,0|1,1,0]=4 60 B8R0.22 CCCC(CBr)CCC Y6801 [0,1,1,0,0,0|2,0,0]=4 61 B8R1.1 O=C1CCC(CBr)O1 3312AH [1,1,0,0,0,0|1,0,1]=4 62 B8R1.1 O=C1CCC(CCl)O1 2512AE [1,1,0,0,0,0|1,0,1]=4 63 B8R1.1 O=C1CC[C@H](CO)O1 B249 [1,1,0,0,0,0|1,0,1]=4 64 B8R1.50 CC1CCC(C)C1N 1407AJ [1,1,0,0,0,0|1,0,0]=3 65 B8R1.50 CC1CCC(C)C1N 1408AJ [1,1,0,0,0,0|1,0,0]=3 66 B8R1.11 NCC1CCCC1O 3854AC [1,1,0,0,0,0|1,1,0]=4 67 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [1,1,0,0,0,0|2,0,0]=4 68 B10R1.8 CC1CC(C=O)CC(C)O1 1418AJ [0,1,0,0,0,1|0,1,0]=3 69 B10R1.8 CC1CC(CO)CC(C)O1 8454AH [0,1,0,0,0,1|0,1,0]=3 70 B8R1.4 CC1CCNC(C)C1 W9513 [0,0,1,1,0,0|2,0,0]=4 71 B8R1.4 C[C@@H]1COC[C@@H](C)N1 8801AB [0,0,1,1,0,0|1,1,0]=4 72 B8R1.4 C[C@H]1CNC[C@H](C)N1 5394AB [0,0,1,1,0,0|2,0,0]=4 73 B8R1.4 C[C@H]1C[C@@H](O)CCO1 2705AC [0,0,1,1,0,0|0,1,0]=3 74 B8R1.4 C[C@H]1C[C@H](O)CCO1 8425AA [0,0,1,1,0,0|0,1,0]=3 75 B8R1.4 NC1CCCC(F)C1 5333AA [0,0,1,1,0,0|2,0,0]=4 76 B8R1.4 N[C@@H]1CCC[C@H](O)C1 8414AH [0,0,1,1,0,0|1,0,0]=3 77 B8R1.4 N[C@H]1CCC[C@@H](O)C1 8379AH [0,0,1,1,0,0|1,0,0]=3 78 B8R1.4 N[C@H]1CCC[C@H](O)C1 8418AH [0,0,1,1,0,0|1,0,0]=3 79 B8R1.5 CC1CCNCC1O 2894AJ [0,0,1,1,0,0|2,0,0]=4 80 B8R1.5 CC1NCCNC1C 0452AF [0,0,1,1,0,0|2,0,0]=4 81 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [0,0,1,1,0,0|2,0,0]=4 82 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [0,0,1,1,0,0|2,0,0]=4 83 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [0,0,1,1,0,0|1,0,0]=3 84 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [0,0,1,1,0,0|2,0,0]=4 85 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,0,1,1,0,0|2,0,0]=4 86 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [0,0,1,1,0,0|1,0,0]=3 87 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [0,0,1,1,0,0|1,0,0]=3 88 B8R1.5 O[C@H]1CNCC[C@H]1O 5209AB [0,0,1,1,0,0|1,1,0]=4 89 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [0,0,1,1,0,0|0,1,1]=4 90 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [0,0,1,1,0,0|0,1,1]=4 91 B8R1.7 CC(C)C1CCCC1 8114AL [0,0,1,1,0,0|2,0,0]=4 92 B8R1.7 C[C@H](N)C1CCCC1 8399AH [0,0,1,1,0,0|2,0,0]=4 93 B8R1.8 BrCCC1CCCC1 9860AA [0,0,1,1,0,0|2,0,0]=4 94 B8R1.8 CCNC1CCNC1 5822AL [0,0,1,1,0,0|2,0,0]=4 95 B8R1.8 CCN[C@@H]1CCNC1 4068AL [0,0,1,1,0,0|2,0,0]=4 96 B8R1.8 CCOC1CCNC1 0346AD [0,0,1,1,0,0|1,0,0]=3 97 B8R1.8 ClCCC1OCCO1 6026AB [0,0,1,1,0,0|2,0,0]=4 98 B8R1.8 OCCC1CCCN1 1282AJ [0,0,1,1,0,0|1,1,0]=4 99 B8R1.8 OCCC1CCCN1 1283AJ [0,0,1,1,0,0|1,1,0]=4 100 B8R1.22 CC1CCCNCC1 2641AE [0,0,1,1,0,0|2,0,0]=4 101 B8R2.34 C1NC2CNC1C2 8401AH [1,0,0,1,0,0|2,0,0]=4 102 B8R2.34 C1OC2CNC1C2 2689AB [1,0,0,1,0,0|1,0,0]=3 103 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 8384AH [1,0,0,1,0,0|2,0,0]=4 104 B10R2.178 [C@@H]12CC[C@@H](O1)C(=O)NC2 0317AF [0,0,0,1,0,1|0,1,1]=4 105 B10R2.99 NCC1CC2CCC1C2 4332AD [0,1,0,1,0,0|2,0,0]=4 106 B6R1.5 CC1CC(O)C1 0711AB [1,0,0,0,1,0|0,1,0]=3 107 B6R1.5 NC1CC(F)C1 2738AD [1,0,0,0,1,0|2,0,0]=4 108 B6R1.5 NC1CC(N)C1 5271AC [1,0,0,0,1,0|2,0,0]=4 109 B8R0.9 CC(C)OCC(O)CN 9962AD [0,0,1,0,0,1|2,0,0]=4 110 B8R1.3 C[C@@H]1CN[C@H](C)CN1 9509AB [1,0,0,0,0,1|2,0,0]=4 111 B8R1.3 C[C@@H]1CO[C@H](C)CN1 2239AA [1,0,0,0,0,1|1,0,0]=3 112 B8R1.3 C[C@H]1CO[C@@H](C)CN1 4899AA [1,0,0,0,0,1|1,0,0]=3 113 B8R1.3 C[C@H]1CO[C@H](C)CN1 2238AA [1,0,0,0,0,1|1,0,0]=3