0 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 CCCNCC(=O)OCC 0138AP [0,0,0,0,0,0|1,0,1]=2 2 B9R0.5 CCOC(=O)CCN=C=O 4558AE [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 CCOC(=O)CNCCN V4614 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.5 CCOC(=O)N\N=C\CBr 6834AE [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCCCC(=O)CCC 8758AB [1,0,0,0,0,0|1,0,1]=3 6 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,0,0,0,0,0|1,0,2]=4 7 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|2,0,1]=4 8 B8R0.6 COC(=O)CCCCN 9801AB [1,0,0,0,0,0|1,0,2]=4 9 B8R0.6 COC(=O)CCCCO Z9406 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.1 C=CCNCCC(=O)OCC 3858AE [0,1,0,0,0,0|1,0,2]=4 11 B10R0.1 CCCNCCC(=O)NCC 7923AC [0,1,0,0,0,0|1,0,2]=4 12 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,1,0,0,0,0|0,0,2]=3 13 B10R0.1 CCOC(=O)CNCCC#N 3321AL [0,1,0,0,0,0|1,0,2]=4 14 B10R0.2 CCOC(=O)CC(=O)COC 0252AC [0,1,0,0,0,0|1,0,1]=3 15 B10R0.3 CCNC(=O)CCNC(C)C 7919AC [0,1,0,0,0,0|2,0,1]=4 16 B10R0.3 CCOC(=O)CNCC(C)C 4002AJ [0,1,0,0,0,0|1,0,1]=3 17 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,1,0,0,0,0|1,0,2]=4 18 B10R0.19 CCO\C=C(/C)C(=O)OCC Z8291 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.11 CCNC(=O)C1CCCN1 6332AE [0,0,0,1,0,0|2,0,1]=4 20 B10R1.11 CCOC(=O)C1CCCO1 M425 [0,0,0,1,0,0|1,0,1]=3 21 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,0,0,1,0,0|1,0,1]=3 22 B10R1.19 CCN1CCNCCC1=O 5544AD [0,0,0,1,0,0|2,0,1]=4 23 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|1,0,2]=4 24 B10R1.135 CCOC(=O)C1CC1CO 1740AJ [0,0,0,1,0,0|1,0,2]=4 25 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,0,0,1,0,0|0,0,2]=3 26 B10R1.137 CCOC(=O)CC1COC1 3606AA [0,0,0,1,0,0|1,0,2]=4 27 B10R1.138 CCOC(=O)C=CC1CC1 1199AQ [0,0,0,1,0,0|0,0,2]=3 28 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,0,0,1,0,0|2,0,1]=4 29 B7R0.1 CCCC\C=C\CO 9204AL [2,0,0,0,0,0|1,0,1]=4 30 B7R0.1 CCNCCOCC 2091AE [2,0,0,0,0,0|1,0,1]=4 31 B7R0.1 CC\C=C\CCCC 9221AL [2,0,0,0,0,0|0,0,1]=3 32 B7R0.1 C\C=C/CCCCC 7427AL [2,0,0,0,0,0|1,0,1]=4 33 B7R0.1 C\C=C\CCCCC 7960AF [2,0,0,0,0,0|1,0,1]=4 34 B7R0.3 C=C(CC)CCCC 5608AL [2,0,0,0,0,0|1,0,1]=4 35 B7R0.3 CCC\C=C(/C)CC 6104AL [2,0,0,0,0,0|1,0,1]=4 36 B7R0.3 CCNCC(=O)OC 2143AA [2,0,0,0,0,0|1,0,0]=3 37 B7R0.3 CCNCC(=O)OC 2988AC [2,0,0,0,0,0|1,0,0]=3 38 B7R0.3 COC(=O)CCC=O W3030 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.3 COC(=O)CCCS X9990 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.3 C\C=C\CC(=O)OC 9761AJ [2,0,0,0,0,0|0,0,0]=2 41 B7R0.7 C=C=CC(=O)OCC 4330AD [2,0,0,0,0,0|0,0,2]=4 42 B7R0.7 C=COC(=O)\C=C\C E081 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.7 CCNC(=O)CCN 1836AD [2,0,0,0,0,0|2,0,0]=4 44 B7R0.7 CCNC(=O)CNC 2852AF [2,0,0,0,0,0|2,0,0]=4 45 B7R0.7 CCOC(=O)CNC 5920AA [2,0,0,0,0,0|1,0,0]=3 46 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [2,0,0,0,0,0|1,0,0]=3 47 B7R0.7 CCOC(=O)\C=C/I 7873AL [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 CCOS(=O)OCC 7113AF [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 CCSC(=O)SCC 7782AL [2,0,0,0,0,0|1,1,0]=4 51 B7R0.4 CCCSCC(=O)O 6980AD [2,0,0,0,0,0|1,0,1]=4 52 B7R0.4 CCOCCC(C)=O 6489AL [2,0,0,0,0,0|1,0,1]=4 53 B7R0.4 CC\C=C\CC(=O)O 7477AF [2,0,0,0,0,0|0,0,0]=2 54 B9R0.34 CCOC(=O)CC(=O)CBr S244 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.34 CCOC(=O)CC(C)NC 8105AE [1,1,0,0,0,0|1,0,1]=4 56 B9R0.34 CCOC(=O)CC(O)CCl X6126 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [1,1,0,0,0,0|1,0,1]=4 58 B9R0.34 CCOC(=O)\C=C(/C)C=O 0167AQ [1,1,0,0,0,0|1,0,1]=4 59 B9R0.35 CCOC(=O)C(C)CNC 8720AC [1,1,0,0,0,0|1,0,1]=4 60 B9R0.48 CCOC(=O)CNC(N)=O 7014AE [1,1,0,0,0,0|2,0,0]=4 61 B9R0.45 CC\C=C\C\C=C\CCO 9173AL [1,1,0,0,0,0|1,0,0]=3 62 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [1,1,0,0,0,0|0,0,2]=4 63 B11R0.4 CCOC(=O)CCNCCCO 8074AC [0,2,0,0,0,0|0,0,2]=4 64 B11R0.4 CCOC(=O)CCNCCOC 7588AE [0,2,0,0,0,0|0,0,2]=4 65 B11R0.4 CCOC(=O)NCCCCCO 7138AD [0,2,0,0,0,0|0,0,2]=4 66 B11R0.4 C\C=C\C(=O)OCC\C=C/CC 7494AL [0,2,0,0,0,0|1,0,1]=4 67 B11R0.62 CCOC(=O)CSC(=O)OCC 4982AE [0,2,0,0,0,0|1,0,0]=3 68 B11R0.155 CCCCCC(=O)C(=O)OCC X9779 [0,2,0,0,0,0|0,0,2]=4 69 B11R0.174 CCOC(=O)CCNC(C)CC 0197AF [0,2,0,0,0,0|0,0,2]=4 70 B11R0.1 CCOC(=O)CC(=O)CC(C)C 4048AB [0,2,0,0,0,0|0,0,1]=3 71 B11R0.177 C=C(C(=O)OCC)C(=O)OCC 3973AB [0,2,0,0,0,0|1,0,1]=4 72 B11R0.141 CCOC(=O)CCC(=O)C(C)C 5426AE [0,2,0,0,0,0|0,0,1]=3 73 B11R0.180 CCOC(=O)CCNC(C)(C)C 4449AD [0,2,0,0,0,0|1,0,1]=4 74 B11R0.9 CCOC(=O)\C=C\N(CC)CC 4563AB [0,2,0,0,0,0|1,0,1]=4 75 B9R1.15 CCN1CCNCC1=O Y9576 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.69 CC1CCC(=O)CC1C 2294AL [1,0,0,1,0,0|1,0,1]=4 77 B9R1.73 CCOC(=O)C1CCN1 1941AC [1,0,0,1,0,0|1,0,0]=3 78 B9R1.73 CCOC(=O)C1CCN1 8256AA [1,0,0,1,0,0|1,0,0]=3 79 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [1,0,0,1,0,0|1,0,0]=3 80 B9R1.183 CCOC(=O)C1CC1C 0688AB [1,0,0,1,0,0|0,0,1]=3 81 B9R1.11 COC(=O)C1CCCC1 6360AB [1,0,0,1,0,0|0,0,2]=4 82 B9R1.11 COC(=O)C1CCCN1 7330AB [1,0,0,1,0,0|1,0,1]=4 83 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [1,0,0,1,0,0|1,0,1]=4 84 B9R1.11 [C@H]1(C(=O)OC)CCNC1 0998AB [1,0,0,1,0,0|1,0,1]=4 85 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [1,0,0,1,0,0|0,0,2]=4 86 B11R1.16 CCOC(=O)C1CNCCO1 X8971 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.16 CCOC(=O)C1CNCCS1 6815AJ [0,1,0,1,0,0|1,0,1]=4 88 B11R1.16 CCOC(=O)C1COCCN1 5295AA [0,1,0,1,0,0|1,0,1]=4 89 B11R1.16 CCOC(=O)C1COCCN1 6742AJ [0,1,0,1,0,0|1,0,1]=4 90 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 1290AB [0,1,0,1,0,0|0,0,2]=4 91 B11R1.16 CCOC(=O)[C@H]1CCCCN1 1289AB [0,1,0,1,0,0|0,0,2]=4 92 B11R1.16 CCOC(=O)[C@H]1CCCNC1 2534AA [0,1,0,1,0,0|0,0,2]=4 93 B11R1.16 CCOC(=O)[C@H]1CCCNC1 3621AH [0,1,0,1,0,0|0,0,2]=4 94 B11R1.16 CCOC(=O)[C@H]1CCCNC1 V1785 [0,1,0,1,0,0|0,0,2]=4 95 B11R1.30 CCOC(=O)CC1=CSC=N1 6665AJ [0,1,0,1,0,0|1,0,1]=4 96 B11R1.30 CCOC(=O)CC1=NC=NN1 6651AJ [0,1,0,1,0,0|2,0,0]=4 97 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,1,0,1,0,0|0,0,2]=4 98 B11R1.30 CCOC(=O)CC1OCCO1 6496AE [0,1,0,1,0,0|1,0,1]=4 99 B11R1.30 CCOC(=O)CN1C=CC=N1 0534AA [0,1,0,1,0,0|1,0,1]=4 100 B11R1.30 CCOC(=O)\C=C1\CCNC1 2419AD [0,1,0,1,0,0|0,0,2]=4 101 B11R1.199 CCOC(=O)C1=C(C)C=CS1 4299AD [0,1,0,1,0,0|0,0,2]=4 102 B11R1.199 CCOC(=O)C1=C(C)OC=C1 5584AJ [0,1,0,1,0,0|0,0,2]=4 103 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 6615AJ [0,1,0,1,0,0|0,0,2]=4 104 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 6621AJ [0,1,0,1,0,0|0,0,2]=4 105 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6619AJ [0,1,0,1,0,0|0,0,2]=4 106 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,1,0,1,0,0|0,0,2]=4 107 B11R1.819 CCOC(=O)C1(O)CCCC1 5674AB [0,1,0,1,0,0|0,0,2]=4