0 B9R0.24 COC(=O)C#CC(=O)OC 13734 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.24 COC(=O)\C=C\C(=O)OC 21799 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 CCCSCC(=O)OC 28955 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.6 COC(=O)CCCCN 31883 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.9 COC(=O)CCC(=O)Cl 13239 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.9 NCC(=O)CCC(=O)O 29927 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.9 NCC(=O)NCC(=O)O 14973 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.46 COC(=O)CC(N)C(=O)OC 25027 [0,1,0,0,0,0|0,0,0]=1 8 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC 25021 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC 6781 [0,1,0,0,0,0|0,0,0]=1 10 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 10903 [0,1,0,0,0,0|0,0,0]=1 11 B10R0.46 COC(=O)C[C@H](O)C(=O)OC 6778 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.14 COC(=O)C1CCC(=O)C1 15798 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.14 COC(=O)C1CNC(=O)C1 35685 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 10949 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 35210 [0,0,0,1,0,0|2,0,0]=3 16 B8R0.19 CCC(=O)CC(=O)CC 21961 [0,0,0,0,1,0|2,0,0]=3 17 B8R0.19 CCC(=O)CC(=O)OC 18684 [0,0,0,0,1,0|1,0,0]=2 18 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [0,0,0,0,1,0|1,0,2]=4 20 B8R0.19 COC(=O)CC(=O)CCl 11042 [0,0,0,0,1,0|2,0,0]=3 21 B8R0.19 COC(=O)OC(=O)OC 13758 [0,0,0,0,1,0|1,0,0]=2 22 B10R0.59 COC(=O)COCC(=S)OC 10749 [0,0,0,0,0,1|0,1,0]=2 23 B7R0.3 C=CCOC(=O)OC 26330 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.3 COC(=O)CCC#N 12831 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.3 COC(=O)CCC=O 29717 [2,0,0,0,0,0|0,0,0]=2 26 B7R0.3 CO\C=C\C(=O)OC 26434 [2,0,0,0,0,0|0,0,1]=3 27 B7R0.6 C=C(C)CCC(C)=O 25282 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.6 CC(=O)CCC(=O)O 11206 [2,0,0,0,0,0|0,0,0]=2 29 B7R0.6 CC(=O)CNC(C)=O 16497 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.6 CC(=O)NCC(=O)O 8849 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.6 CC(=O)NNC(C)=O 23969 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.6 CC(=O)OCC(=O)Cl 20920 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.6 C[S+](C)CCC(=O)O 35248 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.6 O=C(O)C#CC(=O)O 13735 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.6 O=C(O)CC[N+](=O)[O-] 27590 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 O=C(O)\C=C\C(=O)O 21784 [2,0,0,0,0,0|0,0,2]=4 37 B9R0.5 CCCCCC(=O)OCC 15737 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [1,1,0,0,0,0|0,1,1]=4 39 B9R0.34 COCC(=O)CC(=O)OC 10473 [1,1,0,0,0,0|0,0,2]=4 40 B9R0.46 COC(=O)CCCCCBr 16910 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.7 CC(Cl)C(=O)NCC(=O)O 14384 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.7 CC(S)C(=O)NCC(=O)O 15029 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.21 COC(=O)CCS(=O)(=O)Cl 18906 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.23 COC(=O)C(N)CC(=O)O 25026 [1,1,0,0,0,0|0,0,0]=2 45 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 13176 [1,1,0,0,0,0|0,0,0]=2 46 B9R0.23 COC(=O)[C@@H](N)CC(C)C 10892 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 18984 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.23 COC(=O)[C@H](N)CC(=O)O 25017 [1,1,0,0,0,0|0,0,0]=2 49 B9R0.23 COC(=O)[C@H](N)CC(C)C 10893 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 13169 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.42 CNC(=O)C[C@H](N)C(=O)O 13168 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.42 COC(=O)CC(=O)C(=O)O 33557 [1,1,0,0,0,0|0,0,1]=3 53 B9R0.42 COC(=O)C[C@H](C)C(=O)O 23241 [1,1,0,0,0,0|0,0,0]=2 54 B9R0.42 COC(=O)C[C@H](N)C(=O)O 14916 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.48 CCOC(=O)CCC(=O)Cl 44764 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.48 CCOC(=O)CCC(C)=O 11220 [1,1,0,0,0,0|0,0,0]=2 57 B9R0.48 CCOC(=O)CC[N+](=O)[O-] 27586 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.48 CCOC(=O)\C=C\C(C)=O 18129 [1,1,0,0,0,0|0,0,2]=4 59 B9R0.26 COC(=O)CC(OC)OC 20228 [0,1,0,0,1,0|0,0,2]=4 60 B9R0.27 COC(=O)C(Cl)C(=O)OC 20431 [0,1,0,0,1,0|0,0,0]=2 61 B9R0.27 COC(=O)C(F)C(=O)OC 2148 [0,1,0,0,1,0|0,0,0]=2 62 B11R0.120 C=C(CCC(=O)OC)C(=O)OC 27664 [0,1,0,0,0,1|0,0,0]=2 63 B11R0.120 COC(=O)CCC(=O)C(=O)OC 25690 [0,1,0,0,0,1|0,0,0]=2 64 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 20158 [0,1,0,0,0,1|0,0,0]=2 65 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC 6335 [0,1,0,0,0,1|0,0,0]=2 66 B11R0.120 COC(=O)CNC(=O)C(=O)OC 33986 [0,1,0,0,0,1|0,0,1]=3 67 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC 6295 [0,2,0,0,0,0|0,0,0]=2 68 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC 6761 [0,2,0,0,0,0|0,0,0]=2 69 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC 6762 [0,2,0,0,0,0|0,0,0]=2 70 B11R0.62 CCOC(=O)C#CC(=O)OCC 19870 [0,2,0,0,0,0|0,0,2]=4 71 B9R1.11 COC(=O)C1CCNC1 18897 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.35 O=C1CCC(C(=O)O)N1 9493 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.35 O=C1CCC(C(=O)O)O1 29015 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 8104 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 29008 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.35 O=C1CC[C@H](C(=O)O)N1 8103 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.35 O=C1CN[C@H](C(=O)O)C1 14289 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.82 COC(=O)C1CC(=O)C1 27149 [1,0,0,1,0,0|0,0,0]=2 81 B9R1.48 O=C1CCCCC(=O)C1 20261 [0,0,0,1,1,0|2,0,0]=4 82 B11R1.22 COC(=O)C1CCC(=O)CC1 14010 [0,0,0,1,0,1|1,0,0]=3 83 B11R1.23 COC(=O)C1CCNC(=O)C1 26662 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 31810 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 31809 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 31811 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.15 CCOC(=O)C1CCC(=O)C1 30277 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.15 CCOC(=O)N1CCC(=O)C1 13436 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 15818 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 18616 [0,1,0,1,0,0|2,0,0]=4 91 B7R0.2 CCC(=O)CC(C)=O 24813 [1,0,0,0,1,0|1,0,0]=3 92 B7R0.2 COC(=O)C=C(C)C 35911 [1,0,0,0,1,0|1,0,1]=4 93 B7R0.2 COC(=O)CC(C)=O 24182 [1,0,0,0,1,0|0,0,0]=2 94 B7R0.2 COC(=O)CC(N)=S 16742 [1,0,0,0,1,0|1,1,0]=4 95 B7R0.2 COC(=O)C[C@@H](C)O 13967 [1,0,0,0,1,0|0,0,2]=4 96 B7R0.2 COC(=O)C[C@H](C)O 13965 [1,0,0,0,1,0|0,0,2]=4 97 B7R0.2 COC(=O)NC(N)=O 12458 [1,0,0,0,1,0|2,0,0]=4 98 B7R0.2 COC(=O)\C=C(/C)N 15699 [1,0,0,0,1,0|1,0,1]=4 99 B7R0.10 COC(=O)C(O)OC 17980 [0,0,0,0,2,0|0,0,2]=4 100 B11R0.106 COC(=O)CCCCC(=O)OC 35801 [0,0,0,0,0,2|0,0,0]=2