0 B9R0.34 CCC(C)NC(=O)CNC 1462AD [0,0,0,0,0,0|3,0,0]=3 1 B9R0.34 CCCC(=O)OC(C)CC 8954AL [0,0,0,0,0,0|2,0,0]=2 2 B9R0.34 CCCC(C)CC(C)CC 5939AL [0,0,0,0,0,0|2,0,1]=3 3 B9R0.34 CCOC(=O)CC(=O)CBr S244 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.34 CCOC(=O)CC(C)NC 8105AE [0,0,0,0,0,0|1,0,0]=1 5 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [0,0,0,0,0,0|2,0,0]=2 7 B9R0.34 CCOC(=O)\C=C(/C)C=O 0167AQ [0,0,0,0,0,0|1,0,3]=4 8 B9R0.34 C\C=C\C(=O)OC(C)CC 7496AL [0,0,0,0,0,0|2,0,1]=3 9 B8R0.1 CCCCC(=O)CCC 8758AB [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCCCC(Br)CCC 7975AF [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCCNC(=O)CCN 2039AD [1,0,0,0,0,0|3,0,0]=4 12 B8R0.1 CCCNC(=O)CNC 2661AF [1,0,0,0,0,0|3,0,0]=4 13 B8R0.1 CCCNC(=O)CNC 8106AC [1,0,0,0,0,0|3,0,0]=4 14 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,0,0,0,0,0|1,0,1]=3 15 B8R0.5 CC(C)NC(=O)CCN 9774AC [1,0,0,0,0,0|3,0,0]=4 16 B8R0.5 CCCC(=O)NC(C)C 4245AA [1,0,0,0,0,0|2,0,0]=3 17 B8R0.5 CCCC(C)CC(C)C 5321AL [1,0,0,0,0,0|2,0,1]=4 18 B8R0.5 CCOC(=O)CC(C)Br 1536AC [1,0,0,0,0,0|1,0,0]=2 19 B8R0.5 CCOC(=O)CN(C)C 3848AB [1,0,0,0,0,0|1,0,0]=2 20 B8R0.5 CNCC(=O)NC(C)C 1017AD [1,0,0,0,0,0|3,0,0]=4 21 B8R0.5 CNCC(=O)NC(C)C 4697AE [1,0,0,0,0,0|3,0,0]=4 22 B8R0.19 CCC(C)CC(O)CC 7996AF [1,0,0,0,0,0|0,0,2]=3 23 B8R0.19 CCC(C)NC(=O)CCl 0194AE [1,0,0,0,0,0|2,0,0]=3 24 B8R0.19 CCC(C)NC(=O)CN 1865AD [1,0,0,0,0,0|2,0,0]=3 25 B8R0.19 CCC(C)OC(C)CC 8955AL [1,0,0,0,0,0|2,0,1]=4 26 B8R0.19 CCN(C)CC(=O)NN 0866AD [1,0,0,0,0,0|3,0,0]=4 27 B8R0.19 CC[C@H](O)CC(=O)OC 5880AB [1,0,0,0,0,0|1,0,0]=2 28 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,0,0,0,0,0|2,0,0]=3 29 B10R0.2 CCOC(=O)CC(=O)COC 0252AC [0,1,0,0,0,0|1,0,1]=3 30 B10R0.26 CCOC(=O)CN(C)C(C)=O 4188AB [0,1,0,0,0,0|1,0,1]=3 31 B10R1.8 COC1CC(=O)CN(C)C1 4199AB [0,0,0,1,0,0|3,0,0]=4 32 B10R1.135 CCOC(=O)C1CC1CO 1740AJ [0,0,0,1,0,0|1,0,0]=2 33 B10R1.137 CCOC(=O)CC1CCC1 4959AB [0,0,0,1,0,0|0,0,0]=1 34 B10R1.137 CCOC(=O)CC1COC1 3606AA [0,0,0,1,0,0|1,0,0]=2 35 B8R0.3 C=C(CCl)C(=O)OCC 5041AL [0,0,0,0,1,0|1,0,2]=4 36 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,0,0,0,1,0|1,0,2]=4 37 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,0,0,0,1,0|1,0,0]=2 38 B7R0.1 CCC#CCCCC 7931AF [2,0,0,0,0,0|1,0,1]=4 39 B7R0.1 CCCC\C=C\CO 9204AL [2,0,0,0,0,0|2,0,0]=4 40 B7R0.1 CCNCCOCC 2091AE [2,0,0,0,0,0|1,0,1]=4 41 B7R0.1 CC\C=C\CCCC 9221AL [2,0,0,0,0,0|1,0,0]=3 42 B7R0.3 C=C(CC)CCCC 5608AL [2,0,0,0,0,0|1,0,0]=3 43 B7R0.3 CCC(=O)NCCN 3366AF [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCCC(C)CC 6251AE [2,0,0,0,0,0|0,0,1]=3 45 B7R0.3 CCCCC(O)CC 8762AB [2,0,0,0,0,0|0,0,2]=4 46 B7R0.3 CCCNC(=O)CN V6930 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.3 CCCNC(C)CC 2356AE [2,0,0,0,0,0|1,0,1]=4 48 B7R0.3 CCC\C=C(/C)CC 6104AL [2,0,0,0,0,0|1,0,1]=4 49 B7R0.3 CCNCC(=O)OC 2143AA [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 CCNCC(=O)OC 2988AC [2,0,0,0,0,0|1,0,0]=3 51 B7R0.3 CCOCC(N)CC 8270AE [2,0,0,0,0,0|1,0,0]=3 52 B7R0.3 CNCCC(=O)NC 5845AE [2,0,0,0,0,0|2,0,0]=4 53 B7R0.3 COC(=N)CCCCl 2164AC [2,0,0,0,0,0|2,0,0]=4 54 B7R0.3 COC(=O)CCC=O W3030 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.3 COC(=O)CCCS X9990 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.3 C\C=C\CC(=O)OC 9761AJ [2,0,0,0,0,0|0,0,2]=4 57 B7R0.7 CCNC(=O)CCN 1836AD [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCNC(=O)CNC 2852AF [2,0,0,0,0,0|2,0,0]=4 59 B7R0.7 CCOC(=O)CNC 5920AA [2,0,0,0,0,0|1,0,0]=3 60 B7R0.7 CCOS(=O)OCC 7113AF [2,0,0,0,0,0|2,0,0]=4 61 B7R0.7 CCSC(=O)SCC 7782AL [2,0,0,0,0,0|1,1,0]=4 62 B7R0.2 C=C(C)CC(C)CC 5312AL [2,0,0,0,0,0|1,0,0]=3 63 B7R0.2 C=CC(C)CC(=O)O 9796AA [2,0,0,0,0,0|0,0,2]=4 64 B7R0.2 CC(C)NC(=O)CBr 1764AC [2,0,0,0,0,0|2,0,0]=4 65 B7R0.2 CC(C)NC(=O)CN 6712AE [2,0,0,0,0,0|2,0,0]=4 66 B7R0.2 CCC(C)CC(C)C 5322AL [2,0,0,0,0,0|1,0,1]=4 67 B7R0.2 CCC(N)CC(=O)O W4035 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.2 CCN(C)CC(C)=O 9608AC [2,0,0,0,0,0|1,0,0]=3 69 B7R0.2 COC(C)CC(=O)O 0132AA [2,0,0,0,0,0|1,0,0]=3 70 B7R0.2 NCC(N)CC(=O)O 5843AA [2,0,0,0,0,0|2,0,0]=4 71 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [2,0,0,0,0,0|2,0,0]=4 72 B7R0.4 CCCCCC(C)C 5733AL [2,0,0,0,0,0|1,0,1]=4 73 B9R0.5 C=CCCCC(=O)OCC 5392AE [1,1,0,0,0,0|0,0,1]=3 74 B9R0.5 CCCCNC(=O)CCN 2211AD [1,1,0,0,0,0|2,0,0]=4 75 B9R0.5 CCCCNC(=O)CNC 8713AD [1,1,0,0,0,0|2,0,0]=4 76 B9R0.5 CCCNCC(=O)OCC 0138AP [1,1,0,0,0,0|0,0,0]=2 77 B9R0.5 CCOC(=O)CCN=C=O 4558AE [1,1,0,0,0,0|1,0,1]=4 78 B9R0.5 CCOC(=O)CNCCN V4614 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.18 O=C(OCCCl)OCCCl 7328AL [1,1,0,0,0,0|2,0,0]=4 80 B9R0.35 CCOC(=O)C(C)CNC 8720AC [1,1,0,0,0,0|1,0,0]=3 81 B9R0.6 CCNC(=O)C(N)C(C)C 2776AD [1,1,0,0,0,0|1,0,0]=3 82 B9R0.6 CCOC(=O)C(Br)C(C)Br 7846AL [1,1,0,0,0,0|1,0,0]=3 83 B9R0.23 CCC(Br)C(=O)NC(C)C 2965AE [1,1,0,0,0,0|2,0,0]=4 84 B9R0.44 CCOC(=O)CC(C)(C)N 4059AJ [1,1,0,0,0,0|0,0,0]=2 85 B9R0.20 CCCCCC(C)(O)CC 8146AF [1,1,0,0,0,0|1,0,1]=4 86 B9R0.46 CCC(C)CCCCCO 4988AB [1,1,0,0,0,0|1,0,1]=4 87 B9R0.27 CCC(=O)C(F)C(=O)OC U647 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 2134AB [1,1,0,0,0,0|0,0,0]=2 89 B9R0.42 CCC(C)NC(=O)C(C)N 3093AD [1,1,0,0,0,0|1,0,0]=3 90 B11R0.9 CCOC(=O)\C=C\N(CC)CC 4563AB [0,1,0,0,0,1|1,0,1]=4 91 B11R0.62 CCOC(=O)CSC(=O)OCC 4982AE [0,1,0,0,0,1|1,0,1]=4 92 B11R0.141 CCOC(=O)CCC(=O)C(C)C 5426AE [0,1,0,0,0,1|1,0,1]=4 93 B11R0.1 CCOC(=O)CC(=O)CC(C)C 4048AB [0,2,0,0,0,0|1,0,1]=4 94 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 3328AL [0,2,0,0,0,0|1,0,1]=4 95 B11R0.92 CCC(C)NC(=O)C(N)C(C)C 2892AD [0,2,0,0,0,0|2,0,0]=4 96 B11R0.119 CC(CI)NC(=O)OC(C)(C)C 1248AJ [0,2,0,0,0,0|2,0,0]=4 97 B11R0.119 CC(CN)NC(=O)OC(C)(C)C X9232 [0,2,0,0,0,0|2,0,0]=4 98 B11R0.119 C[C@H](CI)NC(=O)OC(C)(C)C 8923AH [0,2,0,0,0,0|2,0,0]=4 99 B9R1.2 COC1CCCC(=O)C1 2324AJ [1,0,0,1,0,0|2,0,0]=4 100 B9R1.2 O=C1CC(CO)CCN1 5141AE [1,0,0,1,0,0|2,0,0]=4 101 B9R1.2 O=C1CCCC(CO)C1 3736AB [1,0,0,1,0,0|2,0,0]=4 102 B9R1.15 CCC1COCCC1=O 2269AJ [1,0,0,1,0,0|2,0,0]=4 103 B9R1.15 CCN1CCNCC1=O Y9576 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.33 O=C1OCCN1CCBr 1938AJ [1,0,0,1,0,0|2,0,0]=4 105 B9R1.49 CN1CCCC(=O)CC1 W4017 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.69 CC1CC(=O)CCC1O 4918AC [1,0,0,1,0,0|2,0,0]=4 107 B9R1.69 CC1CCC(=O)CC1C 2294AL [1,0,0,1,0,0|1,0,0]=3 108 B9R1.73 CCOC(=O)C1CCN1 1941AC [1,0,0,1,0,0|1,0,0]=3 109 B9R1.73 CCOC(=O)C1CCN1 8256AA [1,0,0,1,0,0|1,0,0]=3 110 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [1,0,0,1,0,0|1,0,0]=3 111 B9R1.183 CCOC(=O)C1CC1C 0688AB [1,0,0,1,0,0|0,0,0]=2 112 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [1,0,0,1,0,0|2,0,0]=4 113 B9R1.34 CC1CC(=O)CC(C)N1 7189AC [1,0,0,1,0,0|2,0,0]=4 114 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [1,0,0,1,0,0|2,0,0]=4 115 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3929AJ [1,0,0,1,0,0|2,0,0]=4 116 B9R1.1 CCC1CCC(C)CC1 4854AL [1,0,0,1,0,0|1,0,1]=4 117 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,1,0,1,0,0|0,0,0]=2 118 B11R1.30 CCOC(=O)CC1OCCO1 6496AE [0,1,0,1,0,0|1,0,0]=3 119 B11R1.30 CCOC(=O)\C=C1\CCNC1 2419AD [0,1,0,1,0,0|0,0,2]=4 120 B11R1.34 CCCC1CC(=O)C=C(C)C1 M155 [0,1,0,1,0,0|1,0,1]=4 121 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 6615AJ [0,1,0,1,0,0|1,0,0]=3 122 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N 6621AJ [0,1,0,1,0,0|1,0,0]=3 123 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6619AJ [0,1,0,1,0,0|1,0,0]=3 124 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,1,0,1,0,0|1,0,0]=3 125 B11R1.840 CCOC(=O)CC1(N)COC1 3610AA [0,1,0,1,0,0|1,0,0]=3 126 B11R1.834 C=CC1CC1(N)C(=O)OCC X5903 [0,1,0,1,0,0|0,0,2]=4 127 B11R2.678 [C@H]12CCC[C@H](CC(=O)C1)N2 3651AE [0,0,0,2,0,0|2,0,0]=4 128 B11R2.433 O=C1CN2CCC(CC2)N1 7645AB [0,0,0,2,0,0|2,0,0]=4 129 B7R0.5 CCCC(=O)C(C)C 5712AL [1,0,0,0,1,0|1,0,0]=3 130 B7R0.10 CCC(=O)C(O)CC 8871AL [1,0,0,0,1,0|1,0,0]=3 131 B7R0.10 CCC(C)C(=O)NN 8409AE [1,0,0,0,1,0|2,0,0]=4 132 B7R0.10 CCC(C)C(C)CC 5907AL [1,0,0,0,1,0|1,0,1]=4 133 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [1,0,0,0,1,0|1,0,0]=3 134 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,0,0,0,1,0|1,0,0]=3 135 B7R0.10 COC(=O)C(F)CO 0323AC [1,0,0,0,1,0|2,0,0]=4 136 B7R0.10 COC(=O)C(O)CO 0209AP [1,0,0,0,1,0|2,0,0]=4 137 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [1,0,0,0,1,0|1,0,0]=3 138 B7R0.10 COC(=O)[C@@H](C)CO X3276 [1,0,0,0,1,0|1,0,0]=3 139 B11R0.174 CCNC(=O)CCNC(C)CC 7936AC [0,0,0,0,0,2|1,0,0]=3 140 B11R0.174 CCOC(=O)CCNC(C)CC 0197AF [0,0,0,0,0,2|0,0,0]=2