0 B9R0.23 CC(C)OC(C)C(=O)NN 8104AC [0,0,0,0,0,0|4,0,0]=4 1 B8R0.3 C#CC[C@H](N)C(=O)OC 8457AA [1,0,0,0,0,0|1,0,2]=4 2 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 C=CC[C@@H](N)C(=O)OC 1043AB [1,0,0,0,0,0|1,0,2]=4 4 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,0,0,0,0,0|2,0,0]=3 5 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.5 CCCC(C)CC(C)C 5321AL [1,0,0,0,0,0|2,0,1]=4 7 B8R0.9 CC(C)CNC(=O)CBr 4255AF [1,0,0,0,0,0|3,0,0]=4 8 B8R0.9 CC(C)CNC(=O)CN 5727AD [1,0,0,0,0,0|3,0,0]=4 9 B8R0.9 CC(C)OCC(=O)NN 2431AF [1,0,0,0,0,0|3,0,0]=4 10 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,0,0,0,0,0|2,0,1]=4 11 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,0,0,0,0,0|1,0,0]=2 12 B8R0.9 COC(=O)CNC(C)=O 3516AL [1,0,0,0,0,0|2,0,1]=4 13 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [1,0,0,0,0,0|3,0,0]=4 14 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [1,0,0,0,0,0|0,0,2]=3 15 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [1,0,0,0,0,0|1,0,0]=2 16 B8R0.23 CC(C)CC(=O)C(=O)O 2659AC [1,0,0,0,0,0|0,0,2]=3 17 B8R0.23 CC(C)CC(O)C(C)C 5374AL [1,0,0,0,0,0|1,0,1]=3 18 B10R0.32 CCOC(=O)C(=O)CC(C)C W4942 [0,1,0,0,0,0|0,0,2]=3 19 B10R0.32 CCOC(=O)C(N)CC(C)C 9238AD [0,1,0,0,0,0|1,0,0]=2 20 B10R0.54 COC(=O)[C@H](CO)NC(C)=O 6113AH [0,1,0,0,0,0|2,0,1]=4 21 B10R0.56 COC(=O)C(C)C(=O)C(C)C X7165 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.14 COC(=O)C1CCC(N)C1 5832AA [0,0,0,1,0,0|2,0,0]=3 23 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2033 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 Z2034 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 1092AL [0,0,0,1,0,0|2,0,0]=3 26 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 Z2027 [0,0,0,1,0,0|2,0,1]=4 27 B8R0.2 CNC(=O)C(N)C(C)C 6354AD [0,0,0,0,1,0|2,0,0]=3 28 B8R0.2 COC(=O)C(=O)C(C)C 7036AJ [0,0,0,0,1,0|0,0,2]=3 29 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,0,0,0,1,0|1,0,2]=4 30 B8R0.2 COC(=O)C(N)C(C)=O 0522AC [0,0,0,0,1,0|2,0,1]=4 31 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O X4361 [0,0,0,0,1,0|2,0,0]=3 32 B8R0.2 COC(=O)[C@H](O)C(C)C 9860AL [0,0,0,0,1,0|0,0,0]=1 33 B7R0.3 C=C(CC)CCCC 5608AL [2,0,0,0,0,0|2,0,0]=4 34 B7R0.3 CCNCC(=O)OC 2143AA [2,0,0,0,0,0|1,0,0]=3 35 B7R0.3 CCNCC(=O)OC 2988AC [2,0,0,0,0,0|1,0,0]=3 36 B7R0.3 CNCCC(=O)NC 5845AE [2,0,0,0,0,0|2,0,0]=4 37 B7R0.3 COC(=N)CCCCl 2164AC [2,0,0,0,0,0|2,0,0]=4 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|1,0,0]=3 40 B7R0.3 C\C=C\CC(=O)OC 9761AJ [2,0,0,0,0,0|0,0,2]=4 41 B7R0.5 CCCC(=O)C(=O)O 5775AL [2,0,0,0,0,0|0,0,2]=4 42 B7R0.5 CCCC(O)C(C)C 5711AL [2,0,0,0,0,0|1,0,1]=4 43 B7R0.5 CCSC(C)C(=O)O 6924AD [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 COCC(Cl)C(=O)O 2065AB [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [2,0,0,0,0,0|2,0,0]=4 46 B7R0.5 NC(CCBr)C(=O)O 1883AC [2,0,0,0,0,0|2,0,0]=4 47 B7R0.5 NC(CCBr)C(=O)O E114 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.5 NCCC(N)C(=O)O W7673 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [2,0,0,0,0,0|2,0,0]=4 51 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [2,0,0,0,0,0|2,0,0]=4 52 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [2,0,0,0,0,0|2,0,0]=4 53 B7R0.10 CCC(=O)C(O)CC 8871AL [2,0,0,0,0,0|1,0,0]=3 54 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [2,0,0,0,0,0|0,0,0]=2 55 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [2,0,0,0,0,0|0,0,0]=2 56 B7R0.10 COC(=O)C(F)CO 0323AC [2,0,0,0,0,0|2,0,0]=4 57 B7R0.10 COC(=O)C(O)CO 0209AP [2,0,0,0,0,0|1,0,0]=3 58 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [2,0,0,0,0,0|2,0,0]=4 59 B7R0.10 COC(=O)[C@@H](C)CO X3276 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.2 C#CC(O)CC(C)C 6792AL [2,0,0,0,0,0|0,0,2]=4 61 B7R0.2 CCC(C)CC(C)C 5322AL [2,0,0,0,0,0|1,0,1]=4 62 B7R0.2 COC(C)CC(C)O 5636AH [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CCCCCC(C)C 5733AL [2,0,0,0,0,0|1,0,1]=4 64 B7R0.4 COCCNC(C)C 8018AC [2,0,0,0,0,0|1,0,1]=4 65 B7R0.6 C=C(C)CCC(C)C 5371AL [2,0,0,0,0,0|1,0,0]=3 66 B7R0.6 CC(=O)CCN(C)C 8474AD [2,0,0,0,0,0|1,0,0]=3 67 B7R0.6 CC(C)CCC(=O)O 9893AB [2,0,0,0,0,0|0,0,0]=2 68 B7R0.6 CC(C)CCC(C)Br 5483AJ [2,0,0,0,0,0|1,0,1]=4 69 B7R0.6 CC(C)CCC(C)C 5381AL [2,0,0,0,0,0|1,0,1]=4 70 B7R0.6 CC(C)NCC(N)=O V7257 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.6 C[S+](C)CCC(=O)O 4030AL [2,0,0,0,0,0|1,0,0]=3 72 B9R0.6 CCCC(C)C(=O)C(C)C 9737AA [1,1,0,0,0,0|2,0,0]=4 73 B9R0.27 CCC(=O)C(F)C(=O)OC U647 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 2134AB [1,1,0,0,0,0|1,0,0]=3 75 B9R0.35 CCOC(=O)C(C)CNC 8720AC [1,1,0,0,0,0|2,0,0]=4 76 B9R0.48 CC(C)CNC(=O)CCN 2257AD [1,1,0,0,0,0|2,0,0]=4 77 B9R0.48 CNCC(=O)NCC(C)C 2001AD [1,1,0,0,0,0|2,0,0]=4 78 B9R0.11 CC(C)CC(C)(O)C(=O)O 4614AB [1,1,0,0,0,0|0,0,0]=2 79 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O 0594AP [1,1,0,0,0,0|1,0,0]=3 80 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 7059AH [1,1,0,0,0,0|1,0,0]=3 81 B9R0.39 CC(C)CC(CN)C(=O)O 1792AL [1,1,0,0,0,0|1,0,0]=3 82 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 0447AB [1,1,0,0,0,0|1,0,0]=3 83 B9R0.39 CC(C)C[C@H](CN)C(=O)O 0749AB [1,1,0,0,0,0|1,0,0]=3 84 B9R0.57 CC(C)(C)CC(N)C(=O)O X5326 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.57 CC(C)(C)CC(N)C(=O)O X8798 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.25 COC(=O)[C@H](N)C(C)(C)C 9567AB [0,1,0,0,1,0|1,0,0]=3 87 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O 0566AP [0,1,0,0,1,0|2,0,0]=4 88 B9R0.29 COC(=O)C(OC)C(C)=O 2600AC [0,1,0,0,1,0|1,0,1]=4 89 B11R0.1 CCOC(=O)CC(=O)CC(C)C 4048AB [0,1,0,0,0,1|0,0,2]=4 90 B11R0.117 COC(=O)C(=O)CC(=O)C(C)C 0552AB [0,1,0,0,0,1|0,0,2]=4 91 B11R0.58 CCOC(=O)C(C)C(=O)C(C)C 3328AL [0,2,0,0,0,0|1,0,1]=4 92 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC M318 [0,2,0,0,0,0|1,0,1]=4 93 B11R0.39 COC(=O)[C@H](CC(C)C)N=C=S 7161AD [0,2,0,0,0,0|0,1,0]=3 94 B9R1.3 CN1CCCC(N)C1=O 2118AJ [1,0,0,1,0,0|2,0,0]=4 95 B9R1.11 CNC(=O)C1CCCC1 3843AE [1,0,0,1,0,0|2,0,0]=4 96 B9R1.11 COC(=O)C1CCCC1 6360AB [1,0,0,1,0,0|1,0,0]=3 97 B9R1.11 COC(=O)C1CCCN1 7330AB [1,0,0,1,0,0|1,0,0]=3 98 B9R1.11 COC(=O)[C@@H]1CCNC1 5916AB [1,0,0,1,0,0|2,0,0]=4 99 B9R1.11 [C@H]1(C(=O)OC)CCNC1 0998AB [1,0,0,1,0,0|2,0,0]=4 100 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [1,0,0,1,0,0|1,0,1]=4 101 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 9615AF [1,0,0,1,0,0|2,0,0]=4 102 B9R1.101 COC(=O)C(N)C1CC1 3819AJ [1,0,0,1,0,0|1,0,0]=3 103 B9R1.101 COC(=O)C(O)C1CC1 HTS033439 [1,0,0,1,0,0|0,0,0]=2 104 B9R1.186 COC(=O)C1(N)CCC1 W4473 [1,0,0,1,0,0|1,0,0]=3 105 B9R1.41 CN(C)C1COCC1O 0705AA [1,0,0,1,0,0|1,0,1]=4 106 B9R1.41 CN(C)C1COCC1O Q661 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.1 COC1CCC(C)CC1 4894AL [1,0,0,1,0,0|1,0,1]=4 108 B9R1.10 CC1(C)CC=C(Br)CC1 Y3535 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.10 CC1(O)CCC(=O)CC1 9011AA [1,0,0,1,0,0|2,0,0]=4 110 B9R1.49 CN1CCCC(=O)CC1 W4017 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.164 CC1(O)CC(C(=O)O)C1 W3550 [1,0,0,1,0,0|2,0,0]=4 112 B11R1.225 COC(=O)C1CC(C)CC1=O 6163AB [0,0,0,1,0,1|0,0,2]=4 113 B11R1.22 COC(=O)C1CCC(C)NC1 7129AJ [0,0,0,1,0,1|1,0,0]=3 114 B11R1.22 COC(=O)C1CCC(C)NC1 Z5322 [0,0,0,1,0,1|1,0,0]=3 115 B11R1.22 COC(=O)C1CCC(N)CC1 4270AJ [0,0,0,1,0,1|2,0,0]=4 116 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 7413AH [0,0,0,1,0,1|2,0,0]=4 117 B11R1.351 CCOC(=O)C(=O)CC1CC1 9807AB [0,1,0,1,0,0|0,0,2]=4 118 B11R1.23 COC(=O)C1CC(O)CCN1 3968AB [0,1,0,1,0,0|2,0,0]=4 119 B11R1.23 COC(=O)C1CNCC(O)C1 1863AA [0,1,0,1,0,0|2,0,0]=4 120 B11R1.23 COC(=O)C1CNCC(O)C1 7120AJ [0,1,0,1,0,0|2,0,0]=4 121 B11R1.851 COC(=O)[C@H]1O[C@H]1C(=O)OC 0957AQ [0,1,0,1,0,0|1,0,1]=4 122 B11R1.865 COC(=O)C1SCC(C)C1=O 2453AB [0,1,0,1,0,0|0,1,1]=4 123 B7R0.16 CC(C(=O)O)N(C)C 5353AD [1,0,0,0,1,0|2,0,0]=4 124 B7R0.16 CC(C)C(F)C(=O)O W3426 [1,0,0,0,1,0|1,0,0]=3 125 B9R0.1 COC(=O)CCNC(C)=O 3347AB [1,0,0,0,0,1|1,0,1]=4 126 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [1,0,0,0,0,1|0,0,1]=3