0 B12R1.51 C#CCC(=O)NCC1CCCC1 WXVL_AK0303SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.51 C#CCC(=O)NCC1CCCC1 WXVL_AK0303SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.51 C#CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3070 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.51 C#CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3070 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.51 C/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0340 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.51 C/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0340 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.51 C=CCC(=O)NCC1CCCC1 WXVL_AK0303SB2732 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.51 C=CCC(=O)NCC1CCCC1 WXVL_AK0303SB2732 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2732 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.51 C=CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2732 [0,0,0,0,0,0|1,0,2]=3 12 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.51 CC#CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1240 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.51 CC#CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1240 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,0,0,0,0,0|2,0,0]=2 45 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,0,0,0,0,0|2,0,0]=2 46 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.51 N#CCC(=O)NCC1CCCC1 WXVL_AK0303SB0057 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.51 N#CCC(=O)NCC1CCCC1 WXVL_AK0303SB0057 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.51 N#CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0057 [0,0,0,0,0,0|2,0,1]=3 51 B12R1.51 N#CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0057 [0,0,0,0,0,0|2,0,1]=3 52 B11R1.25 C#CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0338 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.25 C#CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0338 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 WXVL_AK00754SB2706 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 WXVL_AK00754SB2706 [1,0,0,0,0,0|2,0,0]=3 68 B13R1.33 CCCC(=O)NC(C)C1CCOC1 WXVL_AKJ995SB0073 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.33 CCCC(=O)NC(C)C1CCOC1 WXVL_AKJ995SB0073 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.41 CCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0073 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.41 CCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0073 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0073 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.41 CCCC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0073 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.41 COCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0090 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.41 COCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0090 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.41 CSCC(=O)NCC1CCC(C1)F WXVL_AK00226SB1267 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.41 CSCC(=O)NCC1CCC(C1)F WXVL_AK00226SB1267 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.153 C#CCCC(=O)NCC1CCCC1 WXVL_AK0303SB2189 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.153 C#CCCC(=O)NCC1CCCC1 WXVL_AK0303SB2189 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.153 C#CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2189 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.153 C#CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2189 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.153 C=CCCC(=O)NCC1CCCC1 WXVL_AK0303SB1035 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.153 C=CCCC(=O)NCC1CCCC1 WXVL_AK0303SB1035 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1035 [0,1,0,0,0,0|1,0,1]=3 85 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1035 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 WXVL_AK00504SB5314 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 WXVL_AK00504SB5314 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.153 CCCNC(=O)CCC1CCCC1 WXVL_AK00504SB0045 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.153 CCCNC(=O)CCC1CCCC1 WXVL_AK00504SB0045 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.153 CCCNC(=O)CCN1CCCC1 WXVL_AK00504SB0766 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.153 CCCNC(=O)CCN1CCCC1 WXVL_AK00504SB0766 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.153 CCCNC(=O)COC1CCCC1 WXVL_AK00504SB0754 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.153 CCCNC(=O)COC1CCCC1 WXVL_AK00504SB0754 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.153 CCOCC(=O)NCC1CCOC1 WXVL_AK00634SB0091 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.153 CCOCC(=O)NCC1CCOC1 WXVL_AK00634SB0091 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0091 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0091 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0091 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.153 CCOCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0091 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.153 CCSCC(=O)NCC1CCCC1 WXVL_AK0303SB0002 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.153 CCSCC(=O)NCC1CCCC1 WXVL_AK0303SB0002 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.153 CCSCC(=O)NCC1CCOC1 WXVL_AK00634SB0002 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.153 CCSCC(=O)NCC1CCOC1 WXVL_AK00634SB0002 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0002 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.153 CCSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0002 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.153 CCSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0002 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.153 CCSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0002 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.153 COCCC(=O)NCC1CCCC1 WXVL_AK0303SB0156 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.153 COCCC(=O)NCC1CCCC1 WXVL_AK0303SB0156 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.153 COCCC(=O)NCC1CCOC1 WXVL_AK00634SB0156 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.153 COCCC(=O)NCC1CCOC1 WXVL_AK00634SB0156 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0156 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.153 COCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0156 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.153 COCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0156 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.153 COCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0156 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.153 CSCCC(=O)NCC1CCCC1 WXVL_AK0303SB0361 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.153 CSCCC(=O)NCC1CCCC1 WXVL_AK0303SB0361 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.153 CSCCC(=O)NCC1CCOC1 WXVL_AK00634SB0361 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.153 CSCCC(=O)NCC1CCOC1 WXVL_AK00634SB0361 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0361 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.153 CSCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0361 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.153 CSCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0361 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.153 CSCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0361 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.153 O=C(/C=C/CBr)NC[C@@H]1CCCO1 WXVL_AK00754SB0424 [0,1,0,0,0,0|1,0,2]=4 127 B13R1.153 O=C(/C=C/CBr)NC[C@@H]1CCCO1 WXVL_AK00754SB0424 [0,1,0,0,0,0|1,0,2]=4 128 B13R1.153 O=C(CCC1CCCC1)NCCF WXVL_AK00466SB0045 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.153 O=C(CCC1CCCC1)NCCF WXVL_AK00466SB0045 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.153 O=C(NCCCl)NCC1CCCC1 WXVL_AK0303YV0092 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.153 O=C(NCCCl)NCC1CCCC1 WXVL_AK0303YV0092 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.153 O=C(NCCCl)NC[C@@H]1CCCO1 WXVL_AK00754YV0092 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.153 O=C(NCCCl)NC[C@@H]1CCCO1 WXVL_AK00754YV0092 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0073 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0090 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0090 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB1267 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.444 CSCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB1267 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.554 C/C=C(\C)/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0343 [0,1,0,0,0,0|1,0,2]=4 141 B13R1.554 C/C=C(\C)/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0343 [0,1,0,0,0,0|1,0,2]=4 142 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0344 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.554 CCC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0344 [0,1,0,0,0,0|2,0,1]=4 144 B13R1.554 CCC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0344 [0,1,0,0,0,0|1,0,1]=3 145 B13R1.554 CCC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0344 [0,1,0,0,0,0|1,0,1]=3 146 B13R1.554 CCC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0054 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.554 CCC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0054 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.554 CCC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0054 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.554 CCC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0054 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.554 CCC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0054 [0,1,0,0,0,0|1,0,0]=2 151 B13R1.554 CCC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0054 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.554 CCC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0054 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.554 CCC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0054 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.554 CC[C@@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB00054 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.554 CC[C@@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB00054 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.554 CC[C@@H](C)C(=O)NCC1CCOC1 WXVL_AK00634SB00054 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.554 CC[C@@H](C)C(=O)NCC1CCOC1 WXVL_AK00634SB00054 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.554 CC[C@@H](C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB00054 [0,1,0,0,0,0|1,0,0]=2 159 B13R1.554 CC[C@@H](C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB00054 [0,1,0,0,0,0|1,0,0]=2 160 B13R1.554 CC[C@@H](C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB00054 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.554 CC[C@@H](C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB00054 [0,1,0,0,0,0|3,0,0]=4 162 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB3573 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.554 CC[C@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB3573 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.554 CC[C@H](O)C(=O)NCC1CCOC1 WXVL_AK00634SB3573 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.554 CC[C@H](O)C(=O)NCC1CCOC1 WXVL_AK00634SB3573 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.554 CC[C@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3573 [0,1,0,0,0,0|1,0,0]=2 167 B13R1.554 CC[C@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3573 [0,1,0,0,0,0|1,0,0]=2 168 B13R1.554 CC[C@H](O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3573 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.554 CC[C@H](O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3573 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.554 CO[C@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB2926 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.554 CO[C@H](C)C(=O)NCC1CCCC1 WXVL_AK0303SB2926 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.554 CO[C@H](C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2926 [0,1,0,0,0,0|2,0,0]=3 173 B13R1.554 CO[C@H](C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2926 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)C WXVL_AK00754SB0342 [0,1,0,0,0,0|1,0,2]=4 175 B13R1.593 CC(=CC(=O)NC[C@@H]1CCCO1)C WXVL_AK00754SB0342 [0,1,0,0,0,0|1,0,2]=4 176 B13R1.593 CC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0063 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.593 CC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0063 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.593 CC(C)CC(=O)NCC1CCOC1 WXVL_AK00634SB0063 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.593 CC(C)CC(=O)NCC1CCOC1 WXVL_AK00634SB0063 [0,1,0,0,0,0|3,0,0]=4 180 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0063 [0,1,0,0,0,0|1,0,0]=2 181 B13R1.593 CC(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0063 [0,1,0,0,0,0|1,0,0]=2 182 B13R1.593 CC(C)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0063 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.593 CC(C)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0063 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.593 CC(C)NC(=O)CCC1CCCC1 WXVL_AK0030SB0045 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.593 CC(C)NC(=O)CCC1CCCC1 WXVL_AK0030SB0045 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.593 CC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3643 [0,1,0,0,0,0|2,0,0]=3 187 B13R1.593 CC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3643 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.593 CC(O)CC(=O)NCC1CCOC1 WXVL_AK00634SB3643 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.593 CC(O)CC(=O)NCC1CCOC1 WXVL_AK00634SB3643 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.593 CC(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3643 [0,1,0,0,0,0|1,0,0]=2 191 B13R1.593 CC(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3643 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.593 CC(O)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3643 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.593 CC(O)CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB3643 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.593 CN(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0085 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.593 CN(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0085 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.593 CN(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0085 [0,1,0,0,0,0|2,0,0]=3 197 B13R1.593 CN(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0085 [0,1,0,0,0,0|2,0,0]=3 198 B13R1.1330 CCCS(=O)(=O)NCC1CCCC1 WXVL_AK0303HU0030 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.1330 CCCS(=O)(=O)NCC1CCCC1 WXVL_AK0303HU0030 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.1330 CCCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0030 [0,1,0,0,0,0|2,0,0]=3 201 B13R1.1330 CCCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0030 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.1330 O=S(=O)(CCBr)NC[C@@H]1CCCO1 WXVL_AK00754HU0461 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.1330 O=S(=O)(CCBr)NC[C@@H]1CCCO1 WXVL_AK00754HU0461 [0,1,0,0,0,0|3,0,0]=4 204 B13R1.1330 O=S(=O)(CCCl)NC[C@@H]1CCCO1 WXVL_AK00754HU0029 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.1330 O=S(=O)(CCCl)NC[C@@H]1CCCO1 WXVL_AK00754HU0029 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,1,0,0,0,0|2,0,0]=3 207 B13R1.1483 CCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0073 [0,1,0,0,0,0|2,0,0]=3 208 B13R1.1483 CCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0073 [0,1,0,0,0,0|2,0,0]=3 209 B13R1.1483 CCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0073 [0,1,0,0,0,0|2,0,0]=3 210 B13R1.1483 CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0073 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.1483 CCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0073 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.1483 COCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0090 [0,1,0,0,0,0|3,0,0]=4 213 B13R1.1483 COCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0090 [0,1,0,0,0,0|3,0,0]=4 214 B13R1.1483 COCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0090 [0,1,0,0,0,0|3,0,0]=4 215 B13R1.1483 COCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0090 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.1483 COCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0090 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.1483 COCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0090 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.1483 CSCC(=O)NCC1(CCCC1)C WXVL_AK0300SB1267 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.1483 CSCC(=O)NCC1(CCCC1)C WXVL_AK0300SB1267 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.1483 CSCC(=O)NCC1(CCCC1)O WXVL_AK00235SB1267 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.1483 CSCC(=O)NCC1(CCCC1)O WXVL_AK00235SB1267 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.1483 CSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB1267 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.1483 CSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB1267 [0,1,0,0,0,0|3,0,0]=4 224 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,0,1,0,0,0|1,0,2]=4 225 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,0,1,0,0,0|1,0,2]=4 226 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,0,1,0,0,0|2,0,1]=4 227 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,0,1,0,0,0|2,0,1]=4 228 B11R0.4 C#CCOCCNC(=O)CCC WXVL_AK00687SB0073 [0,0,1,0,0,0|1,0,2]=4 229 B11R0.4 C#CCOCCNC(=O)CCC WXVL_AK00687SB0073 [0,0,1,0,0,0|1,0,2]=4 230 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,0,1,0,0,0|1,0,2]=4 231 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,0,1,0,0,0|1,0,2]=4 232 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,0,1,0,0,0|1,0,2]=4 233 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,0,1,0,0,0|1,0,2]=4 234 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,0,1,0,0,0|1,0,2]=4 235 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,0,1,0,0,0|1,0,2]=4 236 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,1,0,0,0|1,0,0]=2 237 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,1,0,0,0|1,0,0]=2 238 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,1,0,0,0|3,0,0]=4 239 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,1,0,0,0|3,0,0]=4 240 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,0,1,0,0,0|2,0,0]=3 241 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,0,1,0,0,0|2,0,0]=3 242 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,1,0,0,0|3,0,0]=4 243 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,1,0,0,0|3,0,0]=4 244 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,1,0,0,0|2,0,0]=3 245 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,1,0,0,0|2,0,0]=3 246 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,1,0,0,0|3,0,0]=4 247 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,1,0,0,0|3,0,0]=4 248 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,1,0,0,0|3,0,0]=4 249 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,1,0,0,0|3,0,0]=4 250 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,1,0,0,0|3,0,0]=4 251 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,1,0,0,0|3,0,0]=4 252 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,0,1,0,0,0|2,0,0]=3 253 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,0,1,0,0,0|2,0,0]=3 254 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,0,1,0,0,0|3,0,0]=4 255 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,0,1,0,0,0|3,0,0]=4 256 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,0,1,0,0,0|2,0,0]=3 257 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,0,1,0,0,0|2,0,0]=3 258 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,0,1,0,0,0|3,0,0]=4 259 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,0,1,0,0,0|3,0,0]=4 260 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,0,1,0,0,0|2,0,1]=4 261 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,0,1,0,0,0|2,0,1]=4 262 B13R2.856 C#CCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB3070 [0,0,0,1,0,0|1,0,2]=4 263 B13R2.856 C/C=C/C(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0340 [0,0,0,1,0,0|1,0,2]=4 264 B13R2.856 C=CCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB2732 [0,0,0,1,0,0|1,0,2]=4 265 B13R2.856 CC#CC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB1240 [0,0,0,1,0,0|1,0,2]=4 266 B13R2.856 CCCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0073 [0,0,0,1,0,0|2,0,0]=3 267 B13R2.856 CCCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0073 [0,0,0,1,0,0|1,0,0]=2 268 B13R2.856 CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00476SB1121 [0,0,0,1,0,0|2,0,0]=3 269 B13R2.856 CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00476SB1121 [0,0,0,1,0,0|2,0,0]=3 270 B13R2.856 COCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0090 [0,0,0,1,0,0|3,0,0]=4 271 B13R2.856 COCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0090 [0,0,0,1,0,0|2,0,0]=3 272 B13R2.856 CSCC(=O)N1CC2CCC1C2 WXVL_AN3504SB1267 [0,0,0,1,0,0|3,0,0]=4 273 B13R2.856 CSCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB1267 [0,0,0,1,0,0|2,0,0]=3 274 B13R2.856 N#CCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0057 [0,0,0,1,0,0|2,0,1]=4 275 B13R2.6970 O=C(NCC1CCCC1)C2CC2 WXVL_AK0303SB0038 [0,0,0,1,0,0|2,0,0]=3 276 B13R2.6970 O=C(NCC1CCCC1)C2CC2 WXVL_AK0303SB0038 [0,0,0,1,0,0|2,0,0]=3 277 B13R2.6970 O=C(NCC1CCOC1)C2CC2 WXVL_AK00634SB0038 [0,0,0,1,0,0|3,0,0]=4 278 B13R2.6970 O=C(NCC1CCOC1)C2CC2 WXVL_AK00634SB0038 [0,0,0,1,0,0|3,0,0]=4 279 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 WXVL_AK00754SB0038 [0,0,0,1,0,0|1,0,0]=2 280 B13R2.6970 O=C(NC[C@@H]1CCCO1)C2CC2 WXVL_AK00754SB0038 [0,0,0,1,0,0|1,0,0]=2 281 B13R2.6970 O=C(NC[C@H]1CCOC1)C2CC2 WXVL_AK2110SB0038 [0,0,0,1,0,0|3,0,0]=4 282 B13R2.6970 O=C(NC[C@H]1CCOC1)C2CC2 WXVL_AK2110SB0038 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,0,1,0|2,0,0]=3 284 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,0,1,0|2,0,0]=3 285 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,0,1,0|3,0,0]=4 286 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,0,1,0|3,0,0]=4 287 B11R1.289 C#CCC(=O)NCC1CCC1 WXVL_AK00492SB3070 [0,0,0,0,1,0|1,0,2]=4 288 B11R1.289 C#CCC(=O)NCC1CCC1 WXVL_AK00492SB3070 [0,0,0,0,1,0|1,0,2]=4 289 B11R1.289 C#CCC(=O)NCC1CCO1 WXVL_AK1433SB3070 [0,0,0,0,1,0|1,0,2]=4 290 B11R1.289 C#CCC(=O)NCC1CCO1 WXVL_AK1433SB3070 [0,0,0,0,1,0|1,0,2]=4 291 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,0,0,0,1,0|1,0,2]=4 292 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,0,0,0,1,0|1,0,2]=4 293 B11R1.289 C/C=C/C(=O)NCC1CCO1 WXVL_AK1433SB0340 [0,0,0,0,1,0|1,0,2]=4 294 B11R1.289 C/C=C/C(=O)NCC1CCO1 WXVL_AK1433SB0340 [0,0,0,0,1,0|1,0,2]=4 295 B11R1.289 C=CCC(=O)NCC1CCC1 WXVL_AK00492SB2732 [0,0,0,0,1,0|1,0,2]=4 296 B11R1.289 C=CCC(=O)NCC1CCC1 WXVL_AK00492SB2732 [0,0,0,0,1,0|1,0,2]=4 297 B11R1.289 C=CCC(=O)NCC1CCO1 WXVL_AK1433SB2732 [0,0,0,0,1,0|1,0,2]=4 298 B11R1.289 C=CCC(=O)NCC1CCO1 WXVL_AK1433SB2732 [0,0,0,0,1,0|1,0,2]=4 299 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,0,0,0,1,0|1,0,2]=4 300 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,0,0,0,1,0|1,0,2]=4 301 B11R1.289 CC#CC(=O)NCC1CCO1 WXVL_AK1433SB1240 [0,0,0,0,1,0|1,0,2]=4 302 B11R1.289 CC#CC(=O)NCC1CCO1 WXVL_AK1433SB1240 [0,0,0,0,1,0|1,0,2]=4 303 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,0,0,0,1,0|1,0,0]=2 304 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,0,0,0,1,0|1,0,0]=2 305 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,0,0,0,1,0|1,0,0]=2 306 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,0,0,0,1,0|1,0,0]=2 307 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,0,0,0,1,0|2,0,0]=3 308 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,0,0,0,1,0|2,0,0]=3 309 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,0,0,0,1,0|2,0,0]=3 310 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,0,0,0,1,0|2,0,0]=3 311 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,0,0,0,1,0|2,0,0]=3 312 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,0,0,0,1,0|2,0,0]=3 313 B11R1.289 COCC(=O)NCC1CCO1 WXVL_AK1433SB0090 [0,0,0,0,1,0|2,0,0]=3 314 B11R1.289 COCC(=O)NCC1CCO1 WXVL_AK1433SB0090 [0,0,0,0,1,0|2,0,0]=3 315 B11R1.289 COCC(=O)NCC1COC1 WXVL_AK0186SB0090 [0,0,0,0,1,0|3,0,0]=4 316 B11R1.289 COCC(=O)NCC1COC1 WXVL_AK0186SB0090 [0,0,0,0,1,0|3,0,0]=4 317 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,0,0,0,1,0|2,0,0]=3 318 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,0,0,0,1,0|2,0,0]=3 319 B11R1.289 CSCC(=O)NCC1CCO1 WXVL_AK1433SB1267 [0,0,0,0,1,0|2,0,0]=3 320 B11R1.289 CSCC(=O)NCC1CCO1 WXVL_AK1433SB1267 [0,0,0,0,1,0|2,0,0]=3 321 B11R1.289 CSCC(=O)NCC1COC1 WXVL_AK0186SB1267 [0,0,0,0,1,0|3,0,0]=4 322 B11R1.289 CSCC(=O)NCC1COC1 WXVL_AK0186SB1267 [0,0,0,0,1,0|3,0,0]=4 323 B11R1.289 N#CCC(=O)NCC1CCC1 WXVL_AK00492SB0057 [0,0,0,0,1,0|2,0,1]=4 324 B11R1.289 N#CCC(=O)NCC1CCC1 WXVL_AK00492SB0057 [0,0,0,0,1,0|2,0,1]=4 325 B11R1.289 N#CCC(=O)NCC1CCO1 WXVL_AK1433SB0057 [0,0,0,0,1,0|2,0,1]=4 326 B11R1.289 N#CCC(=O)NCC1CCO1 WXVL_AK1433SB0057 [0,0,0,0,1,0|2,0,1]=4 327 B13R1.42 C#CCC(=O)NCC1CCCCO1 WXVL_AK1232SB3070 [0,0,0,0,0,1|1,0,2]=4 328 B13R1.42 C#CCC(=O)NCC1CCCCO1 WXVL_AK1232SB3070 [0,0,0,0,0,1|1,0,2]=4 329 B13R1.42 C#CCC(=O)NCC1CCCOC1 WXVL_AK00150SB3070 [0,0,0,0,0,1|1,0,2]=4 330 B13R1.42 C#CCC(=O)NCC1CCCOC1 WXVL_AK00150SB3070 [0,0,0,0,0,1|1,0,2]=4 331 B13R1.42 C#CCC(=O)NCC1CNCCO1 WXVL_AK1379SB3070 [0,0,0,0,0,1|1,0,2]=4 332 B13R1.42 C#CCC(=O)NCC1CNCCO1 WXVL_AK1379SB3070 [0,0,0,0,0,1|1,0,2]=4 333 B13R1.42 C#CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB3070 [0,0,0,0,0,1|1,0,2]=4 334 B13R1.42 C#CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB3070 [0,0,0,0,0,1|1,0,2]=4 335 B13R1.42 C/C=C/C(=O)NCC1CCCCO1 WXVL_AK1232SB0340 [0,0,0,0,0,1|1,0,2]=4 336 B13R1.42 C/C=C/C(=O)NCC1CCCCO1 WXVL_AK1232SB0340 [0,0,0,0,0,1|1,0,2]=4 337 B13R1.42 C/C=C/C(=O)NCC1CCCOC1 WXVL_AK00150SB0340 [0,0,0,0,0,1|1,0,2]=4 338 B13R1.42 C/C=C/C(=O)NCC1CCCOC1 WXVL_AK00150SB0340 [0,0,0,0,0,1|1,0,2]=4 339 B13R1.42 C/C=C/C(=O)NCC1CNCCO1 WXVL_AK1379SB0340 [0,0,0,0,0,1|1,0,2]=4 340 B13R1.42 C/C=C/C(=O)NCC1CNCCO1 WXVL_AK1379SB0340 [0,0,0,0,0,1|1,0,2]=4 341 B13R1.42 C/C=C/C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0340 [0,0,0,0,0,1|1,0,2]=4 342 B13R1.42 C/C=C/C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0340 [0,0,0,0,0,1|1,0,2]=4 343 B13R1.42 C=CCC(=O)NCC1CCCCO1 WXVL_AK1232SB2732 [0,0,0,0,0,1|1,0,2]=4 344 B13R1.42 C=CCC(=O)NCC1CCCCO1 WXVL_AK1232SB2732 [0,0,0,0,0,1|1,0,2]=4 345 B13R1.42 C=CCC(=O)NCC1CCCOC1 WXVL_AK00150SB2732 [0,0,0,0,0,1|1,0,2]=4 346 B13R1.42 C=CCC(=O)NCC1CCCOC1 WXVL_AK00150SB2732 [0,0,0,0,0,1|1,0,2]=4 347 B13R1.42 C=CCC(=O)NCC1CNCCO1 WXVL_AK1379SB2732 [0,0,0,0,0,1|1,0,2]=4 348 B13R1.42 C=CCC(=O)NCC1CNCCO1 WXVL_AK1379SB2732 [0,0,0,0,0,1|1,0,2]=4 349 B13R1.42 C=CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB2732 [0,0,0,0,0,1|1,0,2]=4 350 B13R1.42 C=CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB2732 [0,0,0,0,0,1|1,0,2]=4 351 B13R1.42 CC#CC(=O)NCC1CCCCO1 WXVL_AK1232SB1240 [0,0,0,0,0,1|1,0,2]=4 352 B13R1.42 CC#CC(=O)NCC1CCCCO1 WXVL_AK1232SB1240 [0,0,0,0,0,1|1,0,2]=4 353 B13R1.42 CC#CC(=O)NCC1CCCOC1 WXVL_AK00150SB1240 [0,0,0,0,0,1|1,0,2]=4 354 B13R1.42 CC#CC(=O)NCC1CCCOC1 WXVL_AK00150SB1240 [0,0,0,0,0,1|1,0,2]=4 355 B13R1.42 CC#CC(=O)NCC1CNCCO1 WXVL_AK1379SB1240 [0,0,0,0,0,1|1,0,2]=4 356 B13R1.42 CC#CC(=O)NCC1CNCCO1 WXVL_AK1379SB1240 [0,0,0,0,0,1|1,0,2]=4 357 B13R1.42 CC#CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB1240 [0,0,0,0,0,1|1,0,2]=4 358 B13R1.42 CC#CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB1240 [0,0,0,0,0,1|1,0,2]=4 359 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,0,0,0,0,1|1,0,0]=2 360 B13R1.42 CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0073 [0,0,0,0,0,1|1,0,0]=2 361 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,0,0,0,0,1|1,0,0]=2 362 B13R1.42 CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0073 [0,0,0,0,0,1|1,0,0]=2 363 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,0,0,0,0,1|2,0,0]=3 364 B13R1.42 CCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0073 [0,0,0,0,0,1|2,0,0]=3 365 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,0,0,0,0,1|2,0,0]=3 366 B13R1.42 CCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0073 [0,0,0,0,0,1|2,0,0]=3 367 B13R1.42 CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0073 [0,0,0,0,0,1|1,0,0]=2 368 B13R1.42 CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0073 [0,0,0,0,0,1|1,0,0]=2 369 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0073 [0,0,0,0,0,1|1,0,0]=2 370 B13R1.42 CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0073 [0,0,0,0,0,1|1,0,0]=2 371 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,0,0,0,0,1|3,0,0]=4 372 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,0,0,0,0,1|3,0,0]=4 373 B13R1.42 COCC(=O)NCC1CCCCO1 WXVL_AK1232SB0090 [0,0,0,0,0,1|2,0,0]=3 374 B13R1.42 COCC(=O)NCC1CCCCO1 WXVL_AK1232SB0090 [0,0,0,0,0,1|2,0,0]=3 375 B13R1.42 COCC(=O)NCC1CCCOC1 WXVL_AK00150SB0090 [0,0,0,0,0,1|2,0,0]=3 376 B13R1.42 COCC(=O)NCC1CCCOC1 WXVL_AK00150SB0090 [0,0,0,0,0,1|2,0,0]=3 377 B13R1.42 COCC(=O)NCC1CCOCC1 WXVL_AK0150SB0090 [0,0,0,0,0,1|3,0,0]=4 378 B13R1.42 COCC(=O)NCC1CCOCC1 WXVL_AK0150SB0090 [0,0,0,0,0,1|3,0,0]=4 379 B13R1.42 COCC(=O)NCC1CCSCC1 WXVL_AK00654SB0090 [0,0,0,0,0,1|3,0,0]=4 380 B13R1.42 COCC(=O)NCC1CCSCC1 WXVL_AK00654SB0090 [0,0,0,0,0,1|3,0,0]=4 381 B13R1.42 COCC(=O)NCC1CNCCO1 WXVL_AK1379SB0090 [0,0,0,0,0,1|2,0,0]=3 382 B13R1.42 COCC(=O)NCC1CNCCO1 WXVL_AK1379SB0090 [0,0,0,0,0,1|2,0,0]=3 383 B13R1.42 COCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0090 [0,0,0,0,0,1|2,0,0]=3 384 B13R1.42 COCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0090 [0,0,0,0,0,1|2,0,0]=3 385 B13R1.42 CSCC(=O)NCC1CCCCO1 WXVL_AK1232SB1267 [0,0,0,0,0,1|2,0,0]=3 386 B13R1.42 CSCC(=O)NCC1CCCCO1 WXVL_AK1232SB1267 [0,0,0,0,0,1|2,0,0]=3 387 B13R1.42 CSCC(=O)NCC1CCCOC1 WXVL_AK00150SB1267 [0,0,0,0,0,1|2,0,0]=3 388 B13R1.42 CSCC(=O)NCC1CCCOC1 WXVL_AK00150SB1267 [0,0,0,0,0,1|2,0,0]=3 389 B13R1.42 CSCC(=O)NCC1CCOCC1 WXVL_AK0150SB1267 [0,0,0,0,0,1|3,0,0]=4 390 B13R1.42 CSCC(=O)NCC1CCOCC1 WXVL_AK0150SB1267 [0,0,0,0,0,1|3,0,0]=4 391 B13R1.42 CSCC(=O)NCC1CCSCC1 WXVL_AK00654SB1267 [0,0,0,0,0,1|3,0,0]=4 392 B13R1.42 CSCC(=O)NCC1CCSCC1 WXVL_AK00654SB1267 [0,0,0,0,0,1|3,0,0]=4 393 B13R1.42 CSCC(=O)NCC1CNCCO1 WXVL_AK1379SB1267 [0,0,0,0,0,1|2,0,0]=3 394 B13R1.42 CSCC(=O)NCC1CNCCO1 WXVL_AK1379SB1267 [0,0,0,0,0,1|2,0,0]=3 395 B13R1.42 CSCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB1267 [0,0,0,0,0,1|2,0,0]=3 396 B13R1.42 CSCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB1267 [0,0,0,0,0,1|2,0,0]=3 397 B13R1.42 N#CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0057 [0,0,0,0,0,1|2,0,1]=4 398 B13R1.42 N#CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0057 [0,0,0,0,0,1|2,0,1]=4 399 B13R1.42 N#CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0057 [0,0,0,0,0,1|2,0,1]=4 400 B13R1.42 N#CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0057 [0,0,0,0,0,1|2,0,1]=4 401 B13R1.42 N#CCC(=O)NCC1CNCCO1 WXVL_AK1379SB0057 [0,0,0,0,0,1|2,0,1]=4 402 B13R1.42 N#CCC(=O)NCC1CNCCO1 WXVL_AK1379SB0057 [0,0,0,0,0,1|2,0,1]=4 403 B13R1.42 N#CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0057 [0,0,0,0,0,1|2,0,1]=4 404 B13R1.42 N#CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0057 [0,0,0,0,0,1|2,0,1]=4 405 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,0,0,0,0,1|2,0,0]=3 406 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,0,0,0,0,1|2,0,0]=3 407 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,0,0,0,0,1|3,0,0]=4 408 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,0,0,0,0,1|3,0,0]=4 409 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,0,0,0,0,1|3,0,0]=4 410 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,0,0,0,0,1|3,0,0]=4 411 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,1,0,0,0|1,0,0]=3 412 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,1,0,0,0|1,0,0]=3 413 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,1,0,0,0|2,0,0]=4 414 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,1,0,0,0|2,0,0]=4 415 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,1,0,0,0|2,0,0]=4 416 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,1,0,0,0|2,0,0]=4 417 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,1,0,0,0|1,1,0]=4 418 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,1,0,0,0|1,1,0]=4 419 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,1,0,0,0|1,0,0]=3 420 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,1,0,0,0|1,0,0]=3 421 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,1,0,0,0|2,0,0]=4 422 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,1,0,0,0|2,0,0]=4 423 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,1,0,0,0|2,0,0]=4 424 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,1,0,0,0|2,0,0]=4 425 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,1,0,0,0|2,0,0]=4 426 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,1,0,0,0|2,0,0]=4 427 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,1,0,0,0|1,0,0]=3 428 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,1,0,0,0|1,0,0]=3 429 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [1,0,1,0,0,0|2,0,0]=4 430 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [1,0,1,0,0,0|2,0,0]=4 431 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [1,0,1,0,0,0|2,0,0]=4 432 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [1,0,1,0,0,0|2,0,0]=4 433 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,1,0,0,0|1,0,0]=3 434 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,1,0,0,0|1,0,0]=3 435 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [1,0,1,0,0,0|2,0,0]=4 436 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [1,0,1,0,0,0|2,0,0]=4 437 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,1,0,0,0|2,0,0]=4 438 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,1,0,0,0|2,0,0]=4 439 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,0,1,0,0,0|2,0,0]=4 440 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [1,0,1,0,0,0|2,0,0]=4 441 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [1,0,1,0,0,0|1,0,0]=3 442 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [1,0,1,0,0,0|1,0,0]=3 443 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [1,0,1,0,0,0|2,0,0]=4 444 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [1,0,1,0,0,0|2,0,0]=4 445 B10R0.108 COCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0090 [1,0,1,0,0,0|2,0,0]=4 446 B10R0.108 COCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0090 [1,0,1,0,0,0|2,0,0]=4 447 B10R0.108 CO[C@H](C)CNC(=O)CSC WXVL_AK00704SB1267 [1,0,1,0,0,0|2,0,0]=4 448 B10R0.108 CO[C@H](C)CNC(=O)CSC WXVL_AK00704SB1267 [1,0,1,0,0,0|2,0,0]=4 449 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [2,0,0,0,0,0|1,0,0]=3 452 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [2,0,0,0,0,0|1,0,0]=3 453 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,1,0,0,0|1,0,0]=3 454 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,1,0,0,0|1,0,0]=3 455 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,1,1,0,0,0|1,0,0]=3 456 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,1,1,0,0,0|1,0,0]=3 457 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,1,0,0,0|1,0,0]=3 458 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,1,0,0,0|1,0,0]=3 459 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,1,0,0,0|2,0,0]=4 460 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,1,0,0,0|2,0,0]=4 461 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,1,0,0,0|2,0,0]=4 462 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,1,0,0,0|2,0,0]=4 463 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,1,0,0,0|2,0,0]=4 464 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,1,0,0,0|2,0,0]=4 465 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,1,0,0,0|2,0,0]=4 466 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,1,0,0,0|2,0,0]=4 467 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,1,1,0,0,0|2,0,0]=4 468 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,1,1,0,0,0|2,0,0]=4 469 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,1,1,0,0,0|2,0,0]=4 470 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,1,1,0,0,0|2,0,0]=4 471 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,1,0,0,0|2,0,0]=4 472 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,1,0,0,0|2,0,0]=4 473 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,1,1,0,0,0|1,0,0]=3 474 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,1,1,0,0,0|1,0,0]=3 475 B12R0.4 CC(C)CC(=O)NCCNCCO WXVL_AK0954SB0063 [0,1,1,0,0,0|2,0,0]=4 476 B12R0.4 CC(C)CC(=O)NCCNCCO WXVL_AK0954SB0063 [0,1,1,0,0,0|2,0,0]=4 477 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,1,1,0,0,0|1,0,0]=3 478 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,1,1,0,0,0|1,0,0]=3 479 B12R0.4 CC(O)CC(=O)NCCNCCO WXVL_AK0954SB3643 [0,1,1,0,0,0|2,0,0]=4 480 B12R0.4 CC(O)CC(=O)NCCNCCO WXVL_AK0954SB3643 [0,1,1,0,0,0|2,0,0]=4 481 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,1,0,0,0|2,0,0]=4 482 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,1,0,0,0|2,0,0]=4 483 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,1,0,0,0|2,0,0]=4 484 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,1,0,0,0|2,0,0]=4 485 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,1,1,0,0,0|2,0,0]=4 486 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,1,1,0,0,0|2,0,0]=4 487 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,1,1,0,0,0|1,0,1]=4 488 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,1,1,0,0,0|1,0,1]=4 489 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,1,1,0,0,0|1,0,0]=3 490 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,1,1,0,0,0|1,0,0]=3 491 B12R0.49 CCC(C)C(=O)NCCNCCO WXVL_AK0954SB0054 [0,1,1,0,0,0|2,0,0]=4 492 B12R0.49 CCC(C)C(=O)NCCNCCO WXVL_AK0954SB0054 [0,1,1,0,0,0|2,0,0]=4 493 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,1,0,0,0|2,0,0]=4 494 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,1,0,0,0|2,0,0]=4 495 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,1,0,0,0|2,0,0]=4 496 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,1,0,0,0|2,0,0]=4 497 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,1,0,0,0|2,0,0]=4 498 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,1,0,0,0|2,0,0]=4 499 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,1,1,0,0,0|1,0,0]=3 500 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,1,1,0,0,0|1,0,0]=3 501 B12R0.49 CC[C@@H](C)C(=O)NCCNCCO WXVL_AK0954SB00054 [0,1,1,0,0,0|2,0,0]=4 502 B12R0.49 CC[C@@H](C)C(=O)NCCNCCO WXVL_AK0954SB00054 [0,1,1,0,0,0|2,0,0]=4 503 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,1,1,0,0,0|1,0,0]=3 504 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,1,1,0,0,0|1,0,0]=3 505 B12R0.49 CC[C@H](O)C(=O)NCCNCCO WXVL_AK0954SB3573 [0,1,1,0,0,0|2,0,0]=4 506 B12R0.49 CC[C@H](O)C(=O)NCCNCCO WXVL_AK0954SB3573 [0,1,1,0,0,0|2,0,0]=4 507 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,1,1,0,0,0|2,0,0]=4 508 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,1,1,0,0,0|2,0,0]=4 509 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,1,1,0,0,0|1,0,1]=4 510 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,1,1,0,0,0|1,0,1]=4 511 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,1,1,0,0,0|1,0,1]=4 512 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,1,1,0,0,0|1,0,1]=4 513 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,1,0,0,0|2,0,0]=4 514 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,1,0,0,0|2,0,0]=4 515 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,1,0,0,0|2,0,0]=4 516 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,1,0,0,0|2,0,0]=4 517 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,1,0,0,0|2,0,0]=4 518 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,1,0,0,0|2,0,0]=4 519 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,1,0,0,0|2,0,0]=4 520 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,1,0,0,0|2,0,0]=4 521 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,1,0,0,0|2,0,0]=4 522 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,1,0,0,0|2,0,0]=4 523 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,1,0,0,0|2,0,0]=4 524 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,1,1,0,0,0|2,0,0]=4 525 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,1,0,0,0|1,0,0]=3 526 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,1,0,0,0|1,0,0]=3 527 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,1,1,0,0,0|2,0,0]=4 528 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,1,1,0,0,0|2,0,0]=4 529 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,1,1,0,0,0|1,0,0]=3 530 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,1,1,0,0,0|1,0,0]=3 531 B12R0.206 CCSCC(=O)NCCNCCO WXVL_AK0954SB0002 [0,1,1,0,0,0|2,0,0]=4 532 B12R0.206 CCSCC(=O)NCCNCCO WXVL_AK0954SB0002 [0,1,1,0,0,0|2,0,0]=4 533 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,1,1,0,0,0|1,0,0]=3 534 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,1,1,0,0,0|1,0,0]=3 535 B12R0.206 COCCC(=O)NCCNCCO WXVL_AK0954SB0156 [0,1,1,0,0,0|2,0,0]=4 536 B12R0.206 COCCC(=O)NCCNCCO WXVL_AK0954SB0156 [0,1,1,0,0,0|2,0,0]=4 537 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,1,1,0,0,0|1,0,0]=3 538 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,1,1,0,0,0|1,0,0]=3 539 B12R0.206 CSCCC(=O)NCCNCCO WXVL_AK0954SB0361 [0,1,1,0,0,0|2,0,0]=4 540 B12R0.206 CSCCC(=O)NCCNCCO WXVL_AK0954SB0361 [0,1,1,0,0,0|2,0,0]=4 541 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,1,1,0,0,0|2,0,0]=4 542 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,1,1,0,0,0|2,0,0]=4 543 B12R0.434 CCCS(=O)(=O)NCCCCCO WXVL_AK0077HU0030 [0,1,1,0,0,0|2,0,0]=4 544 B12R0.434 CCCS(=O)(=O)NCCCCCO WXVL_AK0077HU0030 [0,1,1,0,0,0|2,0,0]=4 545 B12R1.26 CCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0064 [1,1,0,0,0,0|2,0,0]=4 546 B12R1.26 CCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0064 [1,1,0,0,0,0|2,0,0]=4 547 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0028 [1,1,0,0,0,0|2,0,0]=4 548 B12R1.196 CCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0028 [1,1,0,0,0,0|2,0,0]=4 549 B12R1.264 CC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0051 [1,1,0,0,0,0|1,0,1]=4 550 B12R1.264 CC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0051 [1,1,0,0,0,0|1,0,1]=4 551 B12R1.264 CC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0052 [1,1,0,0,0,0|2,0,0]=4 552 B12R1.264 CC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0052 [1,1,0,0,0,0|2,0,0]=4 553 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0052 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0052 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.264 CC(S)C(=O)NCC1CCCC1 WXVL_AK0303SB2708 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.264 CC(S)C(=O)NCC1CCCC1 WXVL_AK0303SB2708 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.264 CC(S)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2708 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.264 CC(S)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2708 [1,1,0,0,0,0|1,0,0]=3 559 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB1085 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB1085 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.264 C[C@@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1085 [1,1,0,0,0,0|1,0,0]=3 562 B12R1.264 C[C@@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1085 [1,1,0,0,0,0|1,0,0]=3 563 B12R1.264 O=C(NC[C@@H]1CCCO1)C(F)F WXVL_AK00754SB0079 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.264 O=C(NC[C@@H]1CCCO1)C(F)F WXVL_AK00754SB0079 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [1,1,0,0,0,0|2,0,0]=4 567 B12R1.1677 CCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0064 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.1677 CCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0064 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.1677 CCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0064 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.1677 CCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0064 [1,1,0,0,0,0|2,0,0]=4 571 B12R1.1677 CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0064 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.1677 CCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0064 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,0,1,0|2,0,0]=4 574 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,0,1,0|2,0,0]=4 575 B12R1.463 C#CCCC(=O)NCC1CCC1 WXVL_AK00492SB2189 [0,1,0,0,1,0|1,0,1]=4 576 B12R1.463 C#CCCC(=O)NCC1CCC1 WXVL_AK00492SB2189 [0,1,0,0,1,0|1,0,1]=4 577 B12R1.463 C#CCCC(=O)NCC1CCO1 WXVL_AK1433SB2189 [0,1,0,0,1,0|1,0,1]=4 578 B12R1.463 C#CCCC(=O)NCC1CCO1 WXVL_AK1433SB2189 [0,1,0,0,1,0|1,0,1]=4 579 B12R1.463 C=CCCC(=O)NCC1CCC1 WXVL_AK00492SB1035 [0,1,0,0,1,0|1,0,1]=4 580 B12R1.463 C=CCCC(=O)NCC1CCC1 WXVL_AK00492SB1035 [0,1,0,0,1,0|1,0,1]=4 581 B12R1.463 C=CCCC(=O)NCC1CCO1 WXVL_AK1433SB1035 [0,1,0,0,1,0|1,0,1]=4 582 B12R1.463 C=CCCC(=O)NCC1CCO1 WXVL_AK1433SB1035 [0,1,0,0,1,0|1,0,1]=4 583 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,0,1,0|1,0,0]=3 584 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,0,1,0|1,0,0]=3 585 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,0,1,0|1,0,0]=3 586 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,0,1,0|1,0,0]=3 587 B12R1.463 CCOCC(=O)NCC1CCO1 WXVL_AK1433SB0091 [0,1,0,0,1,0|1,0,0]=3 588 B12R1.463 CCOCC(=O)NCC1CCO1 WXVL_AK1433SB0091 [0,1,0,0,1,0|1,0,0]=3 589 B12R1.463 CCOCC(=O)NCC1COC1 WXVL_AK0186SB0091 [0,1,0,0,1,0|2,0,0]=4 590 B12R1.463 CCOCC(=O)NCC1COC1 WXVL_AK0186SB0091 [0,1,0,0,1,0|2,0,0]=4 591 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,0,1,0|1,0,0]=3 592 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,0,1,0|1,0,0]=3 593 B12R1.463 CCSCC(=O)NCC1CCO1 WXVL_AK1433SB0002 [0,1,0,0,1,0|1,0,0]=3 594 B12R1.463 CCSCC(=O)NCC1CCO1 WXVL_AK1433SB0002 [0,1,0,0,1,0|1,0,0]=3 595 B12R1.463 CCSCC(=O)NCC1COC1 WXVL_AK0186SB0002 [0,1,0,0,1,0|2,0,0]=4 596 B12R1.463 CCSCC(=O)NCC1COC1 WXVL_AK0186SB0002 [0,1,0,0,1,0|2,0,0]=4 597 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,0,1,0|1,0,0]=3 598 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,0,1,0|1,0,0]=3 599 B12R1.463 COCCC(=O)NCC1CCO1 WXVL_AK1433SB0156 [0,1,0,0,1,0|1,0,0]=3 600 B12R1.463 COCCC(=O)NCC1CCO1 WXVL_AK1433SB0156 [0,1,0,0,1,0|1,0,0]=3 601 B12R1.463 COCCC(=O)NCC1COC1 WXVL_AK0186SB0156 [0,1,0,0,1,0|2,0,0]=4 602 B12R1.463 COCCC(=O)NCC1COC1 WXVL_AK0186SB0156 [0,1,0,0,1,0|2,0,0]=4 603 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,0,1,0|1,0,0]=3 604 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,0,1,0|1,0,0]=3 605 B12R1.463 CSCCC(=O)NCC1CCO1 WXVL_AK1433SB0361 [0,1,0,0,1,0|1,0,0]=3 606 B12R1.463 CSCCC(=O)NCC1CCO1 WXVL_AK1433SB0361 [0,1,0,0,1,0|1,0,0]=3 607 B12R1.463 CSCCC(=O)NCC1COC1 WXVL_AK0186SB0361 [0,1,0,0,1,0|2,0,0]=4 608 B12R1.463 CSCCC(=O)NCC1COC1 WXVL_AK0186SB0361 [0,1,0,0,1,0|2,0,0]=4 609 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,0,1,0|2,0,0]=4 610 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,0,1,0|2,0,0]=4 611 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,0,1,0|2,0,0]=4 612 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,0,1,0|2,0,0]=4 613 B12R1.463 O=C(NCCCl)NCC1CCO1 WXVL_AK1433YV0092 [0,1,0,0,1,0|2,0,0]=4 614 B12R1.463 O=C(NCCCl)NCC1CCO1 WXVL_AK1433YV0092 [0,1,0,0,1,0|2,0,0]=4 615 B12R1.467 CCCC(=O)NCC1CN(C1)C WXVL_AK3201SB0073 [0,1,0,0,1,0|2,0,0]=4 616 B12R1.467 CCCC(=O)NCC1CN(C1)C WXVL_AK3201SB0073 [0,1,0,0,1,0|2,0,0]=4 617 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,0,1,0|1,0,1]=4 618 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,0,1,0|1,0,1]=4 619 B12R1.470 CCC(=O)C(=O)NCC1CCO1 WXVL_AK1433SB0344 [0,1,0,0,1,0|1,0,1]=4 620 B12R1.470 CCC(=O)C(=O)NCC1CCO1 WXVL_AK1433SB0344 [0,1,0,0,1,0|1,0,1]=4 621 B12R1.470 CCC(C)C(=O)NCC1CCC1 WXVL_AK00492SB0054 [0,1,0,0,1,0|1,0,0]=3 622 B12R1.470 CCC(C)C(=O)NCC1CCC1 WXVL_AK00492SB0054 [0,1,0,0,1,0|1,0,0]=3 623 B12R1.470 CCC(C)C(=O)NCC1CCO1 WXVL_AK1433SB0054 [0,1,0,0,1,0|1,0,0]=3 624 B12R1.470 CCC(C)C(=O)NCC1CCO1 WXVL_AK1433SB0054 [0,1,0,0,1,0|1,0,0]=3 625 B12R1.470 CCC(C)C(=O)NCC1COC1 WXVL_AK0186SB0054 [0,1,0,0,1,0|2,0,0]=4 626 B12R1.470 CCC(C)C(=O)NCC1COC1 WXVL_AK0186SB0054 [0,1,0,0,1,0|2,0,0]=4 627 B12R1.470 CC[C@@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB00054 [0,1,0,0,1,0|1,0,0]=3 628 B12R1.470 CC[C@@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB00054 [0,1,0,0,1,0|1,0,0]=3 629 B12R1.470 CC[C@@H](C)C(=O)NCC1CCO1 WXVL_AK1433SB00054 [0,1,0,0,1,0|1,0,0]=3 630 B12R1.470 CC[C@@H](C)C(=O)NCC1CCO1 WXVL_AK1433SB00054 [0,1,0,0,1,0|1,0,0]=3 631 B12R1.470 CC[C@@H](C)C(=O)NCC1COC1 WXVL_AK0186SB00054 [0,1,0,0,1,0|2,0,0]=4 632 B12R1.470 CC[C@@H](C)C(=O)NCC1COC1 WXVL_AK0186SB00054 [0,1,0,0,1,0|2,0,0]=4 633 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 WXVL_AK00492SB3573 [0,1,0,0,1,0|1,0,0]=3 634 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 WXVL_AK00492SB3573 [0,1,0,0,1,0|1,0,0]=3 635 B12R1.470 CC[C@H](O)C(=O)NCC1CCO1 WXVL_AK1433SB3573 [0,1,0,0,1,0|1,0,0]=3 636 B12R1.470 CC[C@H](O)C(=O)NCC1CCO1 WXVL_AK1433SB3573 [0,1,0,0,1,0|1,0,0]=3 637 B12R1.470 CC[C@H](O)C(=O)NCC1COC1 WXVL_AK0186SB3573 [0,1,0,0,1,0|2,0,0]=4 638 B12R1.470 CC[C@H](O)C(=O)NCC1COC1 WXVL_AK0186SB3573 [0,1,0,0,1,0|2,0,0]=4 639 B12R1.470 CO[C@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB2926 [0,1,0,0,1,0|2,0,0]=4 640 B12R1.470 CO[C@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB2926 [0,1,0,0,1,0|2,0,0]=4 641 B12R1.470 CO[C@H](C)C(=O)NCC1CCO1 WXVL_AK1433SB2926 [0,1,0,0,1,0|2,0,0]=4 642 B12R1.470 CO[C@H](C)C(=O)NCC1CCO1 WXVL_AK1433SB2926 [0,1,0,0,1,0|2,0,0]=4 643 B12R1.515 CCCS(=O)(=O)NCC1CCC1 WXVL_AK00492HU0030 [0,1,0,0,1,0|2,0,0]=4 644 B12R1.515 CCCS(=O)(=O)NCC1CCC1 WXVL_AK00492HU0030 [0,1,0,0,1,0|2,0,0]=4 645 B12R1.515 CCCS(=O)(=O)NCC1CCO1 WXVL_AK1433HU0030 [0,1,0,0,1,0|2,0,0]=4 646 B12R1.515 CCCS(=O)(=O)NCC1CCO1 WXVL_AK1433HU0030 [0,1,0,0,1,0|2,0,0]=4 647 B12R1.519 CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0073 [0,1,0,0,1,0|1,0,0]=3 648 B12R1.519 CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0073 [0,1,0,0,1,0|1,0,0]=3 649 B12R1.519 COCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0090 [0,1,0,0,1,0|2,0,0]=4 650 B12R1.519 COCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0090 [0,1,0,0,1,0|2,0,0]=4 651 B12R1.519 CSCC(=O)NC(C)C1CCC1 WXVL_AK00681SB1267 [0,1,0,0,1,0|2,0,0]=4 652 B12R1.519 CSCC(=O)NC(C)C1CCC1 WXVL_AK00681SB1267 [0,1,0,0,1,0|2,0,0]=4 653 B12R1.1376 CC(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0063 [0,1,0,0,1,0|1,0,0]=3 654 B12R1.1376 CC(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0063 [0,1,0,0,1,0|1,0,0]=3 655 B12R1.1376 CC(C)CC(=O)NCC1CCO1 WXVL_AK1433SB0063 [0,1,0,0,1,0|1,0,0]=3 656 B12R1.1376 CC(C)CC(=O)NCC1CCO1 WXVL_AK1433SB0063 [0,1,0,0,1,0|1,0,0]=3 657 B12R1.1376 CC(C)CC(=O)NCC1COC1 WXVL_AK0186SB0063 [0,1,0,0,1,0|2,0,0]=4 658 B12R1.1376 CC(C)CC(=O)NCC1COC1 WXVL_AK0186SB0063 [0,1,0,0,1,0|2,0,0]=4 659 B12R1.1376 CC(C)NC(=O)CCC1CCC1 WXVL_AK0030SB8784 [0,1,0,0,1,0|2,0,0]=4 660 B12R1.1376 CC(C)NC(=O)CCC1CCC1 WXVL_AK0030SB8784 [0,1,0,0,1,0|2,0,0]=4 661 B12R1.1376 CC(O)CC(=O)NCC1CCC1 WXVL_AK00492SB3643 [0,1,0,0,1,0|1,0,0]=3 662 B12R1.1376 CC(O)CC(=O)NCC1CCC1 WXVL_AK00492SB3643 [0,1,0,0,1,0|1,0,0]=3 663 B12R1.1376 CC(O)CC(=O)NCC1CCO1 WXVL_AK1433SB3643 [0,1,0,0,1,0|1,0,0]=3 664 B12R1.1376 CC(O)CC(=O)NCC1CCO1 WXVL_AK1433SB3643 [0,1,0,0,1,0|1,0,0]=3 665 B12R1.1376 CC(O)CC(=O)NCC1COC1 WXVL_AK0186SB3643 [0,1,0,0,1,0|2,0,0]=4 666 B12R1.1376 CC(O)CC(=O)NCC1COC1 WXVL_AK0186SB3643 [0,1,0,0,1,0|2,0,0]=4 667 B12R1.1376 CN(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0085 [0,1,0,0,1,0|2,0,0]=4 668 B12R1.1376 CN(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0085 [0,1,0,0,1,0|2,0,0]=4 669 B12R1.1376 CN(C)CC(=O)NCC1CCO1 WXVL_AK1433SB0085 [0,1,0,0,1,0|2,0,0]=4 670 B12R1.1376 CN(C)CC(=O)NCC1CCO1 WXVL_AK1433SB0085 [0,1,0,0,1,0|2,0,0]=4 671 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,1,0,0,1,0|1,0,0]=3 672 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,1,0,0,1,0|1,0,0]=3 673 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,1,0,0,1,0|1,0,0]=3 674 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,1,0,0,1,0|1,0,0]=3 675 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,1,0,0,1,0|1,0,0]=3 676 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,1,0,0,1,0|1,0,0]=3 677 B12R1.1573 CCCC(=O)NCC1(COC1)F WXVL_AK2103SB0073 [0,1,0,0,1,0|2,0,0]=4 678 B12R1.1573 CCCC(=O)NCC1(COC1)F WXVL_AK2103SB0073 [0,1,0,0,1,0|2,0,0]=4 679 B12R1.1573 CCCC(=O)NCC1(COC1)O WXVL_AK1349SB0073 [0,1,0,0,1,0|2,0,0]=4 680 B12R1.1573 CCCC(=O)NCC1(COC1)O WXVL_AK1349SB0073 [0,1,0,0,1,0|2,0,0]=4 681 B12R1.1573 COCC(=O)NCC1(CCC1)C WXVL_AK00671SB0090 [0,1,0,0,1,0|2,0,0]=4 682 B12R1.1573 COCC(=O)NCC1(CCC1)C WXVL_AK00671SB0090 [0,1,0,0,1,0|2,0,0]=4 683 B12R1.1573 COCC(=O)NCC1(CCC1)F WXVL_AK4924SB0090 [0,1,0,0,1,0|2,0,0]=4 684 B12R1.1573 COCC(=O)NCC1(CCC1)F WXVL_AK4924SB0090 [0,1,0,0,1,0|2,0,0]=4 685 B12R1.1573 COCC(=O)NCC1(CCC1)O WXVL_AK2855SB0090 [0,1,0,0,1,0|2,0,0]=4 686 B12R1.1573 COCC(=O)NCC1(CCC1)O WXVL_AK2855SB0090 [0,1,0,0,1,0|2,0,0]=4 687 B12R1.1573 CSCC(=O)NCC1(CCC1)C WXVL_AK00671SB1267 [0,1,0,0,1,0|2,0,0]=4 688 B12R1.1573 CSCC(=O)NCC1(CCC1)C WXVL_AK00671SB1267 [0,1,0,0,1,0|2,0,0]=4 689 B12R1.1573 CSCC(=O)NCC1(CCC1)F WXVL_AK4924SB1267 [0,1,0,0,1,0|2,0,0]=4 690 B12R1.1573 CSCC(=O)NCC1(CCC1)F WXVL_AK4924SB1267 [0,1,0,0,1,0|2,0,0]=4 691 B12R1.1573 CSCC(=O)NCC1(CCC1)O WXVL_AK2855SB1267 [0,1,0,0,1,0|2,0,0]=4 692 B12R1.1573 CSCC(=O)NCC1(CCC1)O WXVL_AK2855SB1267 [0,1,0,0,1,0|2,0,0]=4 693 B14R1.29 CCCC(=O)NC(C)C1CCOCC1 WXVL_AK00126SB0073 [0,1,0,0,0,1|2,0,0]=4 694 B14R1.29 CCCC(=O)NC(C)C1CCOCC1 WXVL_AK00126SB0073 [0,1,0,0,0,1|2,0,0]=4 695 B14R1.32 CCCC(=O)NCC1CN(CCO1)C WXVL_AK00170SB0073 [0,1,0,0,0,1|1,0,0]=3 696 B14R1.32 CCCC(=O)NCC1CN(CCO1)C WXVL_AK00170SB0073 [0,1,0,0,0,1|1,0,0]=3 697 B14R1.32 COCC(=O)NCC1CN(CCO1)C WXVL_AK00170SB0090 [0,1,0,0,0,1|2,0,0]=4 698 B14R1.32 COCC(=O)NCC1CN(CCO1)C WXVL_AK00170SB0090 [0,1,0,0,0,1|2,0,0]=4 699 B14R1.32 CSCC(=O)NCC1CN(CCO1)C WXVL_AK00170SB1267 [0,1,0,0,0,1|2,0,0]=4 700 B14R1.32 CSCC(=O)NCC1CN(CCO1)C WXVL_AK00170SB1267 [0,1,0,0,0,1|2,0,0]=4 701 B14R1.60 CCCC(=O)N(C)CC1CCNCC1 WXVL_AN5436SB0073 [0,1,0,0,0,1|2,0,0]=4 702 B14R1.156 C#CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB2189 [0,1,0,0,0,1|1,0,1]=4 703 B14R1.156 C#CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB2189 [0,1,0,0,0,1|1,0,1]=4 704 B14R1.156 C#CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB2189 [0,1,0,0,0,1|1,0,1]=4 705 B14R1.156 C#CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB2189 [0,1,0,0,0,1|1,0,1]=4 706 B14R1.156 C#CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB2189 [0,1,0,0,0,1|1,0,1]=4 707 B14R1.156 C#CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB2189 [0,1,0,0,0,1|1,0,1]=4 708 B14R1.156 C#CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB2189 [0,1,0,0,0,1|1,0,1]=4 709 B14R1.156 C#CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB2189 [0,1,0,0,0,1|1,0,1]=4 710 B14R1.156 C=CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB1035 [0,1,0,0,0,1|1,0,1]=4 711 B14R1.156 C=CCCC(=O)NCC1CCCCO1 WXVL_AK1232SB1035 [0,1,0,0,0,1|1,0,1]=4 712 B14R1.156 C=CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB1035 [0,1,0,0,0,1|1,0,1]=4 713 B14R1.156 C=CCCC(=O)NCC1CCCOC1 WXVL_AK00150SB1035 [0,1,0,0,0,1|1,0,1]=4 714 B14R1.156 C=CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB1035 [0,1,0,0,0,1|1,0,1]=4 715 B14R1.156 C=CCCC(=O)NCC1CNCCO1 WXVL_AK1379SB1035 [0,1,0,0,0,1|1,0,1]=4 716 B14R1.156 C=CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB1035 [0,1,0,0,0,1|1,0,1]=4 717 B14R1.156 C=CCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB1035 [0,1,0,0,0,1|1,0,1]=4 718 B14R1.156 CCCNC(=O)CCC1CCCCC1 WXVL_AK00504SB0049 [0,1,0,0,0,1|2,0,0]=4 719 B14R1.156 CCCNC(=O)CCC1CCCCC1 WXVL_AK00504SB0049 [0,1,0,0,0,1|2,0,0]=4 720 B14R1.156 CCOCC(=O)NCC1CCCCO1 WXVL_AK1232SB0091 [0,1,0,0,0,1|1,0,0]=3 721 B14R1.156 CCOCC(=O)NCC1CCCCO1 WXVL_AK1232SB0091 [0,1,0,0,0,1|1,0,0]=3 722 B14R1.156 CCOCC(=O)NCC1CCCOC1 WXVL_AK00150SB0091 [0,1,0,0,0,1|1,0,0]=3 723 B14R1.156 CCOCC(=O)NCC1CCCOC1 WXVL_AK00150SB0091 [0,1,0,0,0,1|1,0,0]=3 724 B14R1.156 CCOCC(=O)NCC1CCOCC1 WXVL_AK0150SB0091 [0,1,0,0,0,1|2,0,0]=4 725 B14R1.156 CCOCC(=O)NCC1CCOCC1 WXVL_AK0150SB0091 [0,1,0,0,0,1|2,0,0]=4 726 B14R1.156 CCOCC(=O)NCC1CCSCC1 WXVL_AK00654SB0091 [0,1,0,0,0,1|2,0,0]=4 727 B14R1.156 CCOCC(=O)NCC1CCSCC1 WXVL_AK00654SB0091 [0,1,0,0,0,1|2,0,0]=4 728 B14R1.156 CCOCC(=O)NCC1CNCCO1 WXVL_AK1379SB0091 [0,1,0,0,0,1|1,0,0]=3 729 B14R1.156 CCOCC(=O)NCC1CNCCO1 WXVL_AK1379SB0091 [0,1,0,0,0,1|1,0,0]=3 730 B14R1.156 CCOCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0091 [0,1,0,0,0,1|1,0,0]=3 731 B14R1.156 CCOCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0091 [0,1,0,0,0,1|1,0,0]=3 732 B14R1.156 CCSCC(=O)NCC1CCCCO1 WXVL_AK1232SB0002 [0,1,0,0,0,1|1,0,0]=3 733 B14R1.156 CCSCC(=O)NCC1CCCCO1 WXVL_AK1232SB0002 [0,1,0,0,0,1|1,0,0]=3 734 B14R1.156 CCSCC(=O)NCC1CCCOC1 WXVL_AK00150SB0002 [0,1,0,0,0,1|1,0,0]=3 735 B14R1.156 CCSCC(=O)NCC1CCCOC1 WXVL_AK00150SB0002 [0,1,0,0,0,1|1,0,0]=3 736 B14R1.156 CCSCC(=O)NCC1CCOCC1 WXVL_AK0150SB0002 [0,1,0,0,0,1|2,0,0]=4 737 B14R1.156 CCSCC(=O)NCC1CCOCC1 WXVL_AK0150SB0002 [0,1,0,0,0,1|2,0,0]=4 738 B14R1.156 CCSCC(=O)NCC1CCSCC1 WXVL_AK00654SB0002 [0,1,0,0,0,1|2,0,0]=4 739 B14R1.156 CCSCC(=O)NCC1CCSCC1 WXVL_AK00654SB0002 [0,1,0,0,0,1|2,0,0]=4 740 B14R1.156 CCSCC(=O)NCC1CNCCO1 WXVL_AK1379SB0002 [0,1,0,0,0,1|1,0,0]=3 741 B14R1.156 CCSCC(=O)NCC1CNCCO1 WXVL_AK1379SB0002 [0,1,0,0,0,1|1,0,0]=3 742 B14R1.156 CCSCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0002 [0,1,0,0,0,1|1,0,0]=3 743 B14R1.156 CCSCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0002 [0,1,0,0,0,1|1,0,0]=3 744 B14R1.156 COCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0156 [0,1,0,0,0,1|1,0,0]=3 745 B14R1.156 COCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0156 [0,1,0,0,0,1|1,0,0]=3 746 B14R1.156 COCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0156 [0,1,0,0,0,1|1,0,0]=3 747 B14R1.156 COCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0156 [0,1,0,0,0,1|1,0,0]=3 748 B14R1.156 COCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0156 [0,1,0,0,0,1|2,0,0]=4 749 B14R1.156 COCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0156 [0,1,0,0,0,1|2,0,0]=4 750 B14R1.156 COCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0156 [0,1,0,0,0,1|2,0,0]=4 751 B14R1.156 COCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0156 [0,1,0,0,0,1|2,0,0]=4 752 B14R1.156 COCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0156 [0,1,0,0,0,1|1,0,0]=3 753 B14R1.156 COCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0156 [0,1,0,0,0,1|1,0,0]=3 754 B14R1.156 COCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0156 [0,1,0,0,0,1|1,0,0]=3 755 B14R1.156 COCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0156 [0,1,0,0,0,1|1,0,0]=3 756 B14R1.156 CSCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0361 [0,1,0,0,0,1|1,0,0]=3 757 B14R1.156 CSCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0361 [0,1,0,0,0,1|1,0,0]=3 758 B14R1.156 CSCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0361 [0,1,0,0,0,1|1,0,0]=3 759 B14R1.156 CSCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0361 [0,1,0,0,0,1|1,0,0]=3 760 B14R1.156 CSCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0361 [0,1,0,0,0,1|2,0,0]=4 761 B14R1.156 CSCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0361 [0,1,0,0,0,1|2,0,0]=4 762 B14R1.156 CSCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0361 [0,1,0,0,0,1|2,0,0]=4 763 B14R1.156 CSCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0361 [0,1,0,0,0,1|2,0,0]=4 764 B14R1.156 CSCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0361 [0,1,0,0,0,1|1,0,0]=3 765 B14R1.156 CSCCC(=O)NCC1CNCCO1 WXVL_AK1379SB0361 [0,1,0,0,0,1|1,0,0]=3 766 B14R1.156 CSCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0361 [0,1,0,0,0,1|1,0,0]=3 767 B14R1.156 CSCCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0361 [0,1,0,0,0,1|1,0,0]=3 768 B14R1.156 O=C(NCCCl)NCC1CCCCO1 WXVL_AK1232YV0092 [0,1,0,0,0,1|2,0,0]=4 769 B14R1.156 O=C(NCCCl)NCC1CCCCO1 WXVL_AK1232YV0092 [0,1,0,0,0,1|2,0,0]=4 770 B14R1.156 O=C(NCCCl)NCC1CCCOC1 WXVL_AK00150YV0092 [0,1,0,0,0,1|2,0,0]=4 771 B14R1.156 O=C(NCCCl)NCC1CCCOC1 WXVL_AK00150YV0092 [0,1,0,0,0,1|2,0,0]=4 772 B14R1.156 O=C(NCCCl)NCC1CNCCO1 WXVL_AK1379YV0092 [0,1,0,0,0,1|2,0,0]=4 773 B14R1.156 O=C(NCCCl)NCC1CNCCO1 WXVL_AK1379YV0092 [0,1,0,0,0,1|2,0,0]=4 774 B14R1.156 O=C(NCCCl)NC[C@H]1COCCO1 WXVL_AK00567YV0092 [0,1,0,0,0,1|2,0,0]=4 775 B14R1.156 O=C(NCCCl)NC[C@H]1COCCO1 WXVL_AK00567YV0092 [0,1,0,0,0,1|2,0,0]=4 776 B14R1.502 CCCC(=O)NCC1CCN(CC1)C WXVL_AK0402SB0073 [0,1,0,0,0,1|2,0,0]=4 777 B14R1.502 CCCC(=O)NCC1CCN(CC1)C WXVL_AK0402SB0073 [0,1,0,0,0,1|2,0,0]=4 778 B14R1.502 CCCC(=O)NCC1CNC(=O)CO1 WXVL_AK2622SB0073 [0,1,0,0,0,1|1,0,1]=4 779 B14R1.502 CCCC(=O)NCC1CNC(=O)CO1 WXVL_AK2622SB0073 [0,1,0,0,0,1|1,0,1]=4 780 B14R1.502 CCCC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0073 [0,1,0,0,0,1|2,0,0]=4 781 B14R1.502 CCCC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0073 [0,1,0,0,0,1|2,0,0]=4 782 B14R1.756 CCC(=O)C(=O)NCC1CCCCO1 WXVL_AK1232SB0344 [0,1,0,0,0,1|1,0,1]=4 783 B14R1.756 CCC(=O)C(=O)NCC1CCCCO1 WXVL_AK1232SB0344 [0,1,0,0,0,1|1,0,1]=4 784 B14R1.756 CCC(=O)C(=O)NCC1CCCOC1 WXVL_AK00150SB0344 [0,1,0,0,0,1|1,0,1]=4 785 B14R1.756 CCC(=O)C(=O)NCC1CCCOC1 WXVL_AK00150SB0344 [0,1,0,0,0,1|1,0,1]=4 786 B14R1.756 CCC(=O)C(=O)NCC1CNCCO1 WXVL_AK1379SB0344 [0,1,0,0,0,1|1,0,1]=4 787 B14R1.756 CCC(=O)C(=O)NCC1CNCCO1 WXVL_AK1379SB0344 [0,1,0,0,0,1|1,0,1]=4 788 B14R1.756 CCC(=O)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0344 [0,1,0,0,0,1|1,0,1]=4 789 B14R1.756 CCC(=O)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0344 [0,1,0,0,0,1|1,0,1]=4 790 B14R1.756 CCC(C)C(=O)NCC1CCCCO1 WXVL_AK1232SB0054 [0,1,0,0,0,1|1,0,0]=3 791 B14R1.756 CCC(C)C(=O)NCC1CCCCO1 WXVL_AK1232SB0054 [0,1,0,0,0,1|1,0,0]=3 792 B14R1.756 CCC(C)C(=O)NCC1CCCOC1 WXVL_AK00150SB0054 [0,1,0,0,0,1|1,0,0]=3 793 B14R1.756 CCC(C)C(=O)NCC1CCCOC1 WXVL_AK00150SB0054 [0,1,0,0,0,1|1,0,0]=3 794 B14R1.756 CCC(C)C(=O)NCC1CCOCC1 WXVL_AK0150SB0054 [0,1,0,0,0,1|2,0,0]=4 795 B14R1.756 CCC(C)C(=O)NCC1CCOCC1 WXVL_AK0150SB0054 [0,1,0,0,0,1|2,0,0]=4 796 B14R1.756 CCC(C)C(=O)NCC1CCSCC1 WXVL_AK00654SB0054 [0,1,0,0,0,1|2,0,0]=4 797 B14R1.756 CCC(C)C(=O)NCC1CCSCC1 WXVL_AK00654SB0054 [0,1,0,0,0,1|2,0,0]=4 798 B14R1.756 CCC(C)C(=O)NCC1CNCCO1 WXVL_AK1379SB0054 [0,1,0,0,0,1|1,0,0]=3 799 B14R1.756 CCC(C)C(=O)NCC1CNCCO1 WXVL_AK1379SB0054 [0,1,0,0,0,1|1,0,0]=3 800 B14R1.756 CCC(C)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0054 [0,1,0,0,0,1|1,0,0]=3 801 B14R1.756 CCC(C)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0054 [0,1,0,0,0,1|1,0,0]=3 802 B14R1.756 CC[C@@H](C)C(=O)NCC1CCCCO1 WXVL_AK1232SB00054 [0,1,0,0,0,1|1,0,0]=3 803 B14R1.756 CC[C@@H](C)C(=O)NCC1CCCCO1 WXVL_AK1232SB00054 [0,1,0,0,0,1|1,0,0]=3 804 B14R1.756 CC[C@@H](C)C(=O)NCC1CCCOC1 WXVL_AK00150SB00054 [0,1,0,0,0,1|1,0,0]=3 805 B14R1.756 CC[C@@H](C)C(=O)NCC1CCCOC1 WXVL_AK00150SB00054 [0,1,0,0,0,1|1,0,0]=3 806 B14R1.756 CC[C@@H](C)C(=O)NCC1CCOCC1 WXVL_AK0150SB00054 [0,1,0,0,0,1|2,0,0]=4 807 B14R1.756 CC[C@@H](C)C(=O)NCC1CCOCC1 WXVL_AK0150SB00054 [0,1,0,0,0,1|2,0,0]=4 808 B14R1.756 CC[C@@H](C)C(=O)NCC1CCSCC1 WXVL_AK00654SB00054 [0,1,0,0,0,1|2,0,0]=4 809 B14R1.756 CC[C@@H](C)C(=O)NCC1CCSCC1 WXVL_AK00654SB00054 [0,1,0,0,0,1|2,0,0]=4 810 B14R1.756 CC[C@@H](C)C(=O)NCC1CNCCO1 WXVL_AK1379SB00054 [0,1,0,0,0,1|1,0,0]=3 811 B14R1.756 CC[C@@H](C)C(=O)NCC1CNCCO1 WXVL_AK1379SB00054 [0,1,0,0,0,1|1,0,0]=3 812 B14R1.756 CC[C@@H](C)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB00054 [0,1,0,0,0,1|1,0,0]=3 813 B14R1.756 CC[C@@H](C)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB00054 [0,1,0,0,0,1|1,0,0]=3 814 B14R1.756 CC[C@H](O)C(=O)NCC1CCCCO1 WXVL_AK1232SB3573 [0,1,0,0,0,1|1,0,0]=3 815 B14R1.756 CC[C@H](O)C(=O)NCC1CCCCO1 WXVL_AK1232SB3573 [0,1,0,0,0,1|1,0,0]=3 816 B14R1.756 CC[C@H](O)C(=O)NCC1CCCOC1 WXVL_AK00150SB3573 [0,1,0,0,0,1|1,0,0]=3 817 B14R1.756 CC[C@H](O)C(=O)NCC1CCCOC1 WXVL_AK00150SB3573 [0,1,0,0,0,1|1,0,0]=3 818 B14R1.756 CC[C@H](O)C(=O)NCC1CCOCC1 WXVL_AK0150SB3573 [0,1,0,0,0,1|2,0,0]=4 819 B14R1.756 CC[C@H](O)C(=O)NCC1CCOCC1 WXVL_AK0150SB3573 [0,1,0,0,0,1|2,0,0]=4 820 B14R1.756 CC[C@H](O)C(=O)NCC1CCSCC1 WXVL_AK00654SB3573 [0,1,0,0,0,1|2,0,0]=4 821 B14R1.756 CC[C@H](O)C(=O)NCC1CCSCC1 WXVL_AK00654SB3573 [0,1,0,0,0,1|2,0,0]=4 822 B14R1.756 CC[C@H](O)C(=O)NCC1CNCCO1 WXVL_AK1379SB3573 [0,1,0,0,0,1|1,0,0]=3 823 B14R1.756 CC[C@H](O)C(=O)NCC1CNCCO1 WXVL_AK1379SB3573 [0,1,0,0,0,1|1,0,0]=3 824 B14R1.756 CC[C@H](O)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB3573 [0,1,0,0,0,1|1,0,0]=3 825 B14R1.756 CC[C@H](O)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB3573 [0,1,0,0,0,1|1,0,0]=3 826 B14R1.756 CO[C@H](C)C(=O)NCC1CCCCO1 WXVL_AK1232SB2926 [0,1,0,0,0,1|2,0,0]=4 827 B14R1.756 CO[C@H](C)C(=O)NCC1CCCCO1 WXVL_AK1232SB2926 [0,1,0,0,0,1|2,0,0]=4 828 B14R1.756 CO[C@H](C)C(=O)NCC1CCCOC1 WXVL_AK00150SB2926 [0,1,0,0,0,1|2,0,0]=4 829 B14R1.756 CO[C@H](C)C(=O)NCC1CCCOC1 WXVL_AK00150SB2926 [0,1,0,0,0,1|2,0,0]=4 830 B14R1.756 CO[C@H](C)C(=O)NCC1CNCCO1 WXVL_AK1379SB2926 [0,1,0,0,0,1|2,0,0]=4 831 B14R1.756 CO[C@H](C)C(=O)NCC1CNCCO1 WXVL_AK1379SB2926 [0,1,0,0,0,1|2,0,0]=4 832 B14R1.756 CO[C@H](C)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB2926 [0,1,0,0,0,1|2,0,0]=4 833 B14R1.756 CO[C@H](C)C(=O)NC[C@H]1COCCO1 WXVL_AK00567SB2926 [0,1,0,0,0,1|2,0,0]=4 834 B14R1.818 CC(C)CC(=O)NCC1CCCCO1 WXVL_AK1232SB0063 [0,1,0,0,0,1|1,0,0]=3 835 B14R1.818 CC(C)CC(=O)NCC1CCCCO1 WXVL_AK1232SB0063 [0,1,0,0,0,1|1,0,0]=3 836 B14R1.818 CC(C)CC(=O)NCC1CCCOC1 WXVL_AK00150SB0063 [0,1,0,0,0,1|1,0,0]=3 837 B14R1.818 CC(C)CC(=O)NCC1CCCOC1 WXVL_AK00150SB0063 [0,1,0,0,0,1|1,0,0]=3 838 B14R1.818 CC(C)CC(=O)NCC1CCOCC1 WXVL_AK0150SB0063 [0,1,0,0,0,1|2,0,0]=4 839 B14R1.818 CC(C)CC(=O)NCC1CCOCC1 WXVL_AK0150SB0063 [0,1,0,0,0,1|2,0,0]=4 840 B14R1.818 CC(C)CC(=O)NCC1CCSCC1 WXVL_AK00654SB0063 [0,1,0,0,0,1|2,0,0]=4 841 B14R1.818 CC(C)CC(=O)NCC1CCSCC1 WXVL_AK00654SB0063 [0,1,0,0,0,1|2,0,0]=4 842 B14R1.818 CC(C)CC(=O)NCC1CNCCO1 WXVL_AK1379SB0063 [0,1,0,0,0,1|1,0,0]=3 843 B14R1.818 CC(C)CC(=O)NCC1CNCCO1 WXVL_AK1379SB0063 [0,1,0,0,0,1|1,0,0]=3 844 B14R1.818 CC(C)CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0063 [0,1,0,0,0,1|1,0,0]=3 845 B14R1.818 CC(C)CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0063 [0,1,0,0,0,1|1,0,0]=3 846 B14R1.818 CC(O)CC(=O)NCC1CCCCO1 WXVL_AK1232SB3643 [0,1,0,0,0,1|1,0,0]=3 847 B14R1.818 CC(O)CC(=O)NCC1CCCCO1 WXVL_AK1232SB3643 [0,1,0,0,0,1|1,0,0]=3 848 B14R1.818 CC(O)CC(=O)NCC1CCCOC1 WXVL_AK00150SB3643 [0,1,0,0,0,1|1,0,0]=3 849 B14R1.818 CC(O)CC(=O)NCC1CCCOC1 WXVL_AK00150SB3643 [0,1,0,0,0,1|1,0,0]=3 850 B14R1.818 CC(O)CC(=O)NCC1CCOCC1 WXVL_AK0150SB3643 [0,1,0,0,0,1|2,0,0]=4 851 B14R1.818 CC(O)CC(=O)NCC1CCOCC1 WXVL_AK0150SB3643 [0,1,0,0,0,1|2,0,0]=4 852 B14R1.818 CC(O)CC(=O)NCC1CCSCC1 WXVL_AK00654SB3643 [0,1,0,0,0,1|2,0,0]=4 853 B14R1.818 CC(O)CC(=O)NCC1CCSCC1 WXVL_AK00654SB3643 [0,1,0,0,0,1|2,0,0]=4 854 B14R1.818 CC(O)CC(=O)NCC1CNCCO1 WXVL_AK1379SB3643 [0,1,0,0,0,1|1,0,0]=3 855 B14R1.818 CC(O)CC(=O)NCC1CNCCO1 WXVL_AK1379SB3643 [0,1,0,0,0,1|1,0,0]=3 856 B14R1.818 CC(O)CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB3643 [0,1,0,0,0,1|1,0,0]=3 857 B14R1.818 CC(O)CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB3643 [0,1,0,0,0,1|1,0,0]=3 858 B14R1.818 CN(C)CC(=O)NCC1CCCCO1 WXVL_AK1232SB0085 [0,1,0,0,0,1|2,0,0]=4 859 B14R1.818 CN(C)CC(=O)NCC1CCCCO1 WXVL_AK1232SB0085 [0,1,0,0,0,1|2,0,0]=4 860 B14R1.818 CN(C)CC(=O)NCC1CCCOC1 WXVL_AK00150SB0085 [0,1,0,0,0,1|2,0,0]=4 861 B14R1.818 CN(C)CC(=O)NCC1CCCOC1 WXVL_AK00150SB0085 [0,1,0,0,0,1|2,0,0]=4 862 B14R1.818 CN(C)CC(=O)NCC1CNCCO1 WXVL_AK1379SB0085 [0,1,0,0,0,1|2,0,0]=4 863 B14R1.818 CN(C)CC(=O)NCC1CNCCO1 WXVL_AK1379SB0085 [0,1,0,0,0,1|2,0,0]=4 864 B14R1.818 CN(C)CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0085 [0,1,0,0,0,1|2,0,0]=4 865 B14R1.818 CN(C)CC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0085 [0,1,0,0,0,1|2,0,0]=4 866 B14R1.6829 CCCS(=O)(=O)NCC1CCCCO1 WXVL_AK1232HU0030 [0,1,0,0,0,1|2,0,0]=4 867 B14R1.6829 CCCS(=O)(=O)NCC1CCCCO1 WXVL_AK1232HU0030 [0,1,0,0,0,1|2,0,0]=4 868 B14R1.6829 CCCS(=O)(=O)NCC1CCCOC1 WXVL_AK00150HU0030 [0,1,0,0,0,1|2,0,0]=4 869 B14R1.6829 CCCS(=O)(=O)NCC1CCCOC1 WXVL_AK00150HU0030 [0,1,0,0,0,1|2,0,0]=4 870 B14R1.6829 CCCS(=O)(=O)NCC1CNCCO1 WXVL_AK1379HU0030 [0,1,0,0,0,1|2,0,0]=4 871 B14R1.6829 CCCS(=O)(=O)NCC1CNCCO1 WXVL_AK1379HU0030 [0,1,0,0,0,1|2,0,0]=4 872 B14R1.6829 CCCS(=O)(=O)NC[C@H]1COCCO1 WXVL_AK00567HU0030 [0,1,0,0,0,1|2,0,0]=4 873 B14R1.6829 CCCS(=O)(=O)NC[C@H]1COCCO1 WXVL_AK00567HU0030 [0,1,0,0,0,1|2,0,0]=4 874 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0073 [0,1,0,0,0,1|2,0,0]=4 875 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0073 [0,1,0,0,0,1|2,0,0]=4 876 B14R1.18883 CCCC(=O)NCC1(CCOCC1)C WXVL_AK2349SB0073 [0,1,0,0,0,1|2,0,0]=4 877 B14R1.18883 CCCC(=O)NCC1(CCOCC1)C WXVL_AK2349SB0073 [0,1,0,0,0,1|2,0,0]=4 878 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O WXVL_AK00186SB0073 [0,1,0,0,0,1|2,0,0]=4 879 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O WXVL_AK00186SB0073 [0,1,0,0,0,1|2,0,0]=4 880 B14R1.177 CCOCC(=O)NCCC1CCCC1 WXVL_AK00531SB0091 [0,1,0,0,0,1|2,0,0]=4 881 B14R1.177 CCOCC(=O)NCCC1CCCC1 WXVL_AK00531SB0091 [0,1,0,0,0,1|2,0,0]=4 882 B14R1.177 CCSCC(=O)NCCC1CCCC1 WXVL_AK00531SB0002 [0,1,0,0,0,1|2,0,0]=4 883 B14R1.177 CCSCC(=O)NCCC1CCCC1 WXVL_AK00531SB0002 [0,1,0,0,0,1|2,0,0]=4 884 B14R1.177 COCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0156 [0,1,0,0,0,1|2,0,0]=4 885 B14R1.177 COCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0156 [0,1,0,0,0,1|2,0,0]=4 886 B14R1.177 CSCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0361 [0,1,0,0,0,1|2,0,0]=4 887 B14R1.177 CSCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0361 [0,1,0,0,0,1|2,0,0]=4 888 B14R1.633 CCCC(=O)N(C)CCC1OCCO1 WXVL_AN3575SB0073 [0,1,0,0,0,1|2,0,0]=4 889 B14R1.633 CCCC(=O)N(C)CCC1OCCO1 WXVL_AN3575SB0073 [0,1,0,0,0,1|2,0,0]=4 890 B14R1.633 CCOC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB4144 [0,1,0,0,0,1|2,0,0]=4 891 B14R1.633 CCOC(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB4144 [0,1,0,0,0,1|2,0,0]=4 892 B14R1.948 CCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0073 [0,1,0,0,0,1|2,0,0]=4 893 B14R1.948 CCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0073 [0,1,0,0,0,1|2,0,0]=4 894 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 WXVL_AK00531SB0054 [0,1,0,0,0,1|2,0,0]=4 895 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 WXVL_AK00531SB0054 [0,1,0,0,0,1|2,0,0]=4 896 B14R1.986 CC[C@@H](C)C(=O)NCCC1CCCC1 WXVL_AK00531SB00054 [0,1,0,0,0,1|2,0,0]=4 897 B14R1.986 CC[C@@H](C)C(=O)NCCC1CCCC1 WXVL_AK00531SB00054 [0,1,0,0,0,1|2,0,0]=4 898 B14R1.986 CC[C@H](O)C(=O)NCCC1CCCC1 WXVL_AK00531SB3573 [0,1,0,0,0,1|2,0,0]=4 899 B14R1.986 CC[C@H](O)C(=O)NCCC1CCCC1 WXVL_AK00531SB3573 [0,1,0,0,0,1|2,0,0]=4 900 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0073 [0,1,0,0,0,1|2,0,0]=4 901 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C WXVL_AK1439SB0073 [0,1,0,0,0,1|2,0,0]=4 902 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 WXVL_AK00531SB0063 [0,1,0,0,0,1|2,0,0]=4 903 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 WXVL_AK00531SB0063 [0,1,0,0,0,1|2,0,0]=4 904 B14R1.6454 CC(O)CC(=O)NCCC1CCCC1 WXVL_AK00531SB3643 [0,1,0,0,0,1|2,0,0]=4 905 B14R1.6454 CC(O)CC(=O)NCCC1CCCC1 WXVL_AK00531SB3643 [0,1,0,0,0,1|2,0,0]=4 906 B14R1.155 CCOCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0091 [0,2,0,0,0,0|2,0,0]=4 907 B14R1.155 CCOCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0091 [0,2,0,0,0,0|2,0,0]=4 908 B14R1.155 CCSCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0002 [0,2,0,0,0,0|2,0,0]=4 909 B14R1.155 CCSCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0002 [0,2,0,0,0,0|2,0,0]=4 910 B14R1.155 COCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0156 [0,2,0,0,0,0|2,0,0]=4 911 B14R1.155 COCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0156 [0,2,0,0,0,0|2,0,0]=4 912 B14R1.155 CSCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0361 [0,2,0,0,0,0|2,0,0]=4 913 B14R1.155 CSCCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0361 [0,2,0,0,0,0|2,0,0]=4 914 B14R1.755 CCC(C)C(=O)NCC1CCC(C1)F WXVL_AK00226SB0054 [0,2,0,0,0,0|2,0,0]=4 915 B14R1.755 CCC(C)C(=O)NCC1CCC(C1)F WXVL_AK00226SB0054 [0,2,0,0,0,0|2,0,0]=4 916 B14R1.755 CC[C@@H](C)C(=O)NCC1CCC(C1)F WXVL_AK00226SB00054 [0,2,0,0,0,0|2,0,0]=4 917 B14R1.755 CC[C@@H](C)C(=O)NCC1CCC(C1)F WXVL_AK00226SB00054 [0,2,0,0,0,0|2,0,0]=4 918 B14R1.755 CC[C@H](O)C(=O)NCC1CCC(C1)F WXVL_AK00226SB3573 [0,2,0,0,0,0|2,0,0]=4 919 B14R1.755 CC[C@H](O)C(=O)NCC1CCC(C1)F WXVL_AK00226SB3573 [0,2,0,0,0,0|2,0,0]=4 920 B14R1.2612 CCCC(=O)NCC1CCC(C1)(F)F WXVL_AK00219SB0073 [0,2,0,0,0,0|2,0,0]=4 921 B14R1.2612 CCCC(=O)NCC1CCC(C1)(F)F WXVL_AK00219SB0073 [0,2,0,0,0,0|2,0,0]=4 922 B14R1.4262 CC(C)CC(=O)NCC1CCC(C1)F WXVL_AK00226SB0063 [0,2,0,0,0,0|2,0,0]=4 923 B14R1.4262 CC(C)CC(=O)NCC1CCC(C1)F WXVL_AK00226SB0063 [0,2,0,0,0,0|2,0,0]=4 924 B14R1.4262 CC(O)CC(=O)NCC1CCC(C1)F WXVL_AK00226SB3643 [0,2,0,0,0,0|2,0,0]=4 925 B14R1.4262 CC(O)CC(=O)NCC1CCC(C1)F WXVL_AK00226SB3643 [0,2,0,0,0,0|2,0,0]=4 926 B14R1.86 C#CCCCC(=O)NCC1CCCC1 WXVL_AK0303SB2709 [0,2,0,0,0,0|2,0,0]=4 927 B14R1.86 C#CCCCC(=O)NCC1CCCC1 WXVL_AK0303SB2709 [0,2,0,0,0,0|2,0,0]=4 928 B14R1.86 C#CCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2709 [0,2,0,0,0,0|1,0,0]=3 929 B14R1.86 C#CCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2709 [0,2,0,0,0,0|1,0,0]=3 930 B14R1.86 C=CCCCC(=O)NCC1CCCC1 WXVL_AK0303SB2920 [0,2,0,0,0,0|2,0,0]=4 931 B14R1.86 C=CCCCC(=O)NCC1CCCC1 WXVL_AK0303SB2920 [0,2,0,0,0,0|2,0,0]=4 932 B14R1.86 C=CCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2920 [0,2,0,0,0,0|1,0,0]=3 933 B14R1.86 C=CCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2920 [0,2,0,0,0,0|1,0,0]=3 934 B14R1.86 CC/C=C/CC(=O)NCC1CCCC1 WXVL_AK0303SB0349 [0,2,0,0,0,0|2,0,0]=4 935 B14R1.86 CC/C=C/CC(=O)NCC1CCCC1 WXVL_AK0303SB0349 [0,2,0,0,0,0|2,0,0]=4 936 B14R1.86 CC/C=C/CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0349 [0,2,0,0,0,0|1,0,0]=3 937 B14R1.86 CC/C=C/CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0349 [0,2,0,0,0,0|1,0,0]=3 938 B14R1.86 CCCCNC(=O)CCC1CCCC1 WXVL_AK00588SB0045 [0,2,0,0,0,0|2,0,0]=4 939 B14R1.86 CCCCNC(=O)CCC1CCCC1 WXVL_AK00588SB0045 [0,2,0,0,0,0|2,0,0]=4 940 B14R1.86 CCO/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3226 [0,2,0,0,0,0|1,0,1]=4 941 B14R1.86 CCO/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3226 [0,2,0,0,0,0|1,0,1]=4 942 B14R1.86 CSCCNC(=O)CCC1CCCC1 WXVL_AK00440SB0045 [0,2,0,0,0,0|2,0,0]=4 943 B14R1.86 CSCCNC(=O)CCC1CCCC1 WXVL_AK00440SB0045 [0,2,0,0,0,0|2,0,0]=4 944 B14R1.86 O=C(CCC1CCCC1)NCCCO WXVL_AK0073SB0045 [0,2,0,0,0,0|2,0,0]=4 945 B14R1.86 O=C(CCC1CCCC1)NCCCO WXVL_AK0073SB0045 [0,2,0,0,0,0|2,0,0]=4 946 B14R1.86 O=C(CCCCBr)NCC1CCCC1 WXVL_AK0303SB3153 [0,2,0,0,0,0|2,0,0]=4 947 B14R1.86 O=C(CCCCBr)NCC1CCCC1 WXVL_AK0303SB3153 [0,2,0,0,0,0|2,0,0]=4 948 B14R1.86 O=C(CCCCBr)NC[C@@H]1CCCO1 WXVL_AK00754SB3153 [0,2,0,0,0,0|1,0,0]=3 949 B14R1.86 O=C(CCCCBr)NC[C@@H]1CCCO1 WXVL_AK00754SB3153 [0,2,0,0,0,0|1,0,0]=3 950 B14R1.86 O=C(CCCCCl)NCC1CCCC1 WXVL_AK0303SB0379 [0,2,0,0,0,0|2,0,0]=4 951 B14R1.86 O=C(CCCCCl)NCC1CCCC1 WXVL_AK0303SB0379 [0,2,0,0,0,0|2,0,0]=4 952 B14R1.86 O=C(CCCCCl)NC[C@@H]1CCCO1 WXVL_AK00754SB0379 [0,2,0,0,0,0|1,0,0]=3 953 B14R1.86 O=C(CCCCCl)NC[C@@H]1CCCO1 WXVL_AK00754SB0379 [0,2,0,0,0,0|1,0,0]=3 954 B14R1.86 O=C(NCCCCl)NCC1CCCC1 WXVL_AK0303YV0130 [0,2,0,0,0,0|2,0,0]=4 955 B14R1.86 O=C(NCCCCl)NCC1CCCC1 WXVL_AK0303YV0130 [0,2,0,0,0,0|2,0,0]=4 956 B14R1.86 O=C(NCCCCl)NC[C@@H]1CCCO1 WXVL_AK00754YV0130 [0,2,0,0,0,0|1,0,0]=3 957 B14R1.86 O=C(NCCCCl)NC[C@@H]1CCCO1 WXVL_AK00754YV0130 [0,2,0,0,0,0|1,0,0]=3 958 B14R1.588 CCC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0353 [0,2,0,0,0,0|2,0,0]=4 959 B14R1.588 CCC(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0353 [0,2,0,0,0,0|2,0,0]=4 960 B14R1.588 CCC(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0353 [0,2,0,0,0,0|1,0,0]=3 961 B14R1.588 CCC(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0353 [0,2,0,0,0,0|1,0,0]=3 962 B14R1.588 CCC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB4092 [0,2,0,0,0,0|2,0,0]=4 963 B14R1.588 CCC(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB4092 [0,2,0,0,0,0|2,0,0]=4 964 B14R1.588 CCC(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB4092 [0,2,0,0,0,0|1,0,0]=3 965 B14R1.588 CCC(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB4092 [0,2,0,0,0,0|1,0,0]=3 966 B14R1.588 CC[C@@H](C)CC(=O)NCC1CCCC1 WXVL_AK0303SB8650 [0,2,0,0,0,0|2,0,0]=4 967 B14R1.588 CC[C@@H](C)CC(=O)NCC1CCCC1 WXVL_AK0303SB8650 [0,2,0,0,0,0|2,0,0]=4 968 B14R1.588 CC[C@@H](C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB8650 [0,2,0,0,0,0|1,0,0]=3 969 B14R1.588 CC[C@@H](C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB8650 [0,2,0,0,0,0|1,0,0]=3 970 B14R1.588 CC[C@H](C)NC(=O)CCC1CCCC1 WXVL_AK00678SB0045 [0,2,0,0,0,0|2,0,0]=4 971 B14R1.588 CC[C@H](C)NC(=O)CCC1CCCC1 WXVL_AK00678SB0045 [0,2,0,0,0,0|2,0,0]=4 972 B14R1.588 COC(=O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2790 [0,2,0,0,0,0|1,0,1]=4 973 B14R1.588 COC(=O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2790 [0,2,0,0,0,0|1,0,1]=4 974 B14R1.916 CCOCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0091 [0,2,0,0,0,0|2,0,0]=4 975 B14R1.916 CCOCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0091 [0,2,0,0,0,0|2,0,0]=4 976 B14R1.916 CCSCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0002 [0,2,0,0,0,0|2,0,0]=4 977 B14R1.916 CCSCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0002 [0,2,0,0,0,0|2,0,0]=4 978 B14R1.916 COCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0156 [0,2,0,0,0,0|2,0,0]=4 979 B14R1.916 COCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0156 [0,2,0,0,0,0|2,0,0]=4 980 B14R1.916 CSCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0361 [0,2,0,0,0,0|2,0,0]=4 981 B14R1.916 CSCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0361 [0,2,0,0,0,0|2,0,0]=4 982 B14R1.2492 CCOCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0091 [0,2,0,0,0,0|2,0,0]=4 983 B14R1.2492 CCOCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0091 [0,2,0,0,0,0|2,0,0]=4 984 B14R1.2492 CCOCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0091 [0,2,0,0,0,0|2,0,0]=4 985 B14R1.2492 CCOCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0091 [0,2,0,0,0,0|2,0,0]=4 986 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0091 [0,2,0,0,0,0|2,0,0]=4 987 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0091 [0,2,0,0,0,0|2,0,0]=4 988 B14R1.2492 CCSCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0002 [0,2,0,0,0,0|2,0,0]=4 989 B14R1.2492 CCSCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0002 [0,2,0,0,0,0|2,0,0]=4 990 B14R1.2492 CCSCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0002 [0,2,0,0,0,0|2,0,0]=4 991 B14R1.2492 CCSCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0002 [0,2,0,0,0,0|2,0,0]=4 992 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0002 [0,2,0,0,0,0|2,0,0]=4 993 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0002 [0,2,0,0,0,0|2,0,0]=4 994 B14R1.2492 COCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0156 [0,2,0,0,0,0|2,0,0]=4 995 B14R1.2492 COCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0156 [0,2,0,0,0,0|2,0,0]=4 996 B14R1.2492 COCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0156 [0,2,0,0,0,0|2,0,0]=4 997 B14R1.2492 COCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0156 [0,2,0,0,0,0|2,0,0]=4 998 B14R1.2492 COCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0156 [0,2,0,0,0,0|2,0,0]=4 999 B14R1.2492 COCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0156 [0,2,0,0,0,0|2,0,0]=4 1000 B14R1.2492 CSCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0361 [0,2,0,0,0,0|2,0,0]=4 1001 B14R1.2492 CSCCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0361 [0,2,0,0,0,0|2,0,0]=4 1002 B14R1.2492 CSCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0361 [0,2,0,0,0,0|2,0,0]=4 1003 B14R1.2492 CSCCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0361 [0,2,0,0,0,0|2,0,0]=4 1004 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0361 [0,2,0,0,0,0|2,0,0]=4 1005 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C WXVL_AK1675SB0361 [0,2,0,0,0,0|2,0,0]=4 1006 B14R1.4526 CC(=O)CCC(=O)NCC1CCCC1 WXVL_AK0303SB0072 [0,2,0,0,0,0|2,0,0]=4 1007 B14R1.4526 CC(=O)CCC(=O)NCC1CCCC1 WXVL_AK0303SB0072 [0,2,0,0,0,0|2,0,0]=4 1008 B14R1.4526 CC(=O)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0072 [0,2,0,0,0,0|1,0,0]=3 1009 B14R1.4526 CC(=O)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0072 [0,2,0,0,0,0|1,0,0]=3 1010 B14R1.4526 CC(=O)NCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0357 [0,2,0,0,0,0|1,0,1]=4 1011 B14R1.4526 CC(=O)NCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0357 [0,2,0,0,0,0|1,0,1]=4 1012 B14R1.4526 CC(=O)OCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2824 [0,2,0,0,0,0|1,0,1]=4 1013 B14R1.4526 CC(=O)OCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2824 [0,2,0,0,0,0|1,0,1]=4 1014 B14R1.4526 CC(=O)SCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3992 [0,2,0,0,0,0|1,0,1]=4 1015 B14R1.4526 CC(=O)SCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3992 [0,2,0,0,0,0|1,0,1]=4 1016 B14R1.4526 CC(C)/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0036 [0,2,0,0,0,0|1,0,1]=4 1017 B14R1.4526 CC(C)/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0036 [0,2,0,0,0,0|1,0,1]=4 1018 B14R1.4526 CC(C)CCC(=O)NCC1CCCC1 WXVL_AK0303SB0354 [0,2,0,0,0,0|2,0,0]=4 1019 B14R1.4526 CC(C)CCC(=O)NCC1CCCC1 WXVL_AK0303SB0354 [0,2,0,0,0,0|2,0,0]=4 1020 B14R1.4526 CC(C)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0354 [0,2,0,0,0,0|1,0,0]=3 1021 B14R1.4526 CC(C)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0354 [0,2,0,0,0,0|1,0,0]=3 1022 B14R1.4526 CC(C)CNC(=O)CCC1CCCC1 WXVL_AK00544SB0045 [0,2,0,0,0,0|2,0,0]=4 1023 B14R1.4526 CC(C)CNC(=O)CCC1CCCC1 WXVL_AK00544SB0045 [0,2,0,0,0,0|2,0,0]=4 1024 B14R1.4526 CC(C)OCC(=O)NCC1CCCC1 WXVL_AK0303SB0213 [0,2,0,0,0,0|2,0,0]=4 1025 B14R1.4526 CC(C)OCC(=O)NCC1CCCC1 WXVL_AK0303SB0213 [0,2,0,0,0,0|2,0,0]=4 1026 B14R1.4526 CC(C)OCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0213 [0,2,0,0,0,0|1,0,0]=3 1027 B14R1.4526 CC(C)OCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0213 [0,2,0,0,0,0|1,0,0]=3 1028 B14R1.4526 CC(O)CNC(=O)CCC1CCCC1 WXVL_AK0052SB0045 [0,2,0,0,0,0|2,0,0]=4 1029 B14R1.4526 CC(O)CNC(=O)CCC1CCCC1 WXVL_AK0052SB0045 [0,2,0,0,0,0|2,0,0]=4 1030 B14R1.4526 CN(C)CCC(=O)NCC1CCCC1 WXVL_AK0303SB00052 [0,2,0,0,0,0|2,0,0]=4 1031 B14R1.4526 CN(C)CCC(=O)NCC1CCCC1 WXVL_AK0303SB00052 [0,2,0,0,0,0|2,0,0]=4 1032 B14R1.4526 CN(C)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB00052 [0,2,0,0,0,0|1,0,0]=3 1033 B14R1.4526 CN(C)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB00052 [0,2,0,0,0,0|1,0,0]=3 1034 B14R1.4526 C[C@H](O)CNC(=O)CCC1CCCC1 WXVL_AK0113SB0045 [0,2,0,0,0,0|2,0,0]=4 1035 B14R1.4526 C[C@H](O)CNC(=O)CCC1CCCC1 WXVL_AK0113SB0045 [0,2,0,0,0,0|2,0,0]=4 1036 B14R1.4526 NC(=O)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0358 [0,2,0,0,0,0|1,0,1]=4 1037 B14R1.4526 NC(=O)CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0358 [0,2,0,0,0,0|1,0,1]=4 1038 B14R1.4531 CCCCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0031 [0,2,0,0,0,0|2,0,0]=4 1039 B14R1.4531 CCCCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0031 [0,2,0,0,0,0|2,0,0]=4 1040 B14R1.4531 COCCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0155 [0,2,0,0,0,0|2,0,0]=4 1041 B14R1.4531 COCCS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0155 [0,2,0,0,0,0|2,0,0]=4 1042 B14R1.4531 O=S(=O)(CCCCl)NC[C@@H]1CCCO1 WXVL_AK00754HU0162 [0,2,0,0,0,0|2,0,0]=4 1043 B14R1.4531 O=S(=O)(CCCCl)NC[C@@H]1CCCO1 WXVL_AK00754HU0162 [0,2,0,0,0,0|2,0,0]=4 1044 B14R1.167 CC(C)CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0063 [0,2,0,0,0,0|2,0,0]=4 1045 B14R1.167 CC(C)CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0063 [0,2,0,0,0,0|2,0,0]=4 1046 B14R1.167 CC(O)CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB3643 [0,2,0,0,0,0|2,0,0]=4 1047 B14R1.167 CC(O)CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB3643 [0,2,0,0,0,0|2,0,0]=4 1048 B14R1.987 CCC(C)C(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0054 [0,2,0,0,0,0|2,0,0]=4 1049 B14R1.987 CCC(C)C(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0054 [0,2,0,0,0,0|2,0,0]=4 1050 B14R1.987 CC[C@@H](C)C(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB00054 [0,2,0,0,0,0|2,0,0]=4 1051 B14R1.987 CC[C@@H](C)C(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB00054 [0,2,0,0,0,0|2,0,0]=4 1052 B14R1.987 CC[C@H](O)C(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB3573 [0,2,0,0,0,0|2,0,0]=4 1053 B14R1.987 CC[C@H](O)C(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB3573 [0,2,0,0,0,0|2,0,0]=4 1054 B14R1.322 CC(C)(CCl)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3392 [0,2,0,0,0,0|2,0,0]=4 1055 B14R1.322 CC(C)(CCl)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3392 [0,2,0,0,0,0|2,0,0]=4 1056 B14R1.322 CCC(C)(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0355 [0,2,0,0,0,0|2,0,0]=4 1057 B14R1.322 CCC(C)(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0355 [0,2,0,0,0,0|2,0,0]=4 1058 B14R1.322 CCC(C)(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0355 [0,2,0,0,0,0|1,0,0]=3 1059 B14R1.322 CCC(C)(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0355 [0,2,0,0,0,0|1,0,0]=3 1060 B14R1.322 CCC(C)(O)C(=O)NCC1CCCC1 WXVL_AK0303SB3009 [0,2,0,0,0,0|2,0,0]=4 1061 B14R1.322 CCC(C)(O)C(=O)NCC1CCCC1 WXVL_AK0303SB3009 [0,2,0,0,0,0|2,0,0]=4 1062 B14R1.322 CCC(C)(O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3009 [0,2,0,0,0,0|1,0,0]=3 1063 B14R1.322 CCC(C)(O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB3009 [0,2,0,0,0,0|1,0,0]=3 1064 B14R1.322 COC(C)(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0207 [0,2,0,0,0,0|2,0,0]=4 1065 B14R1.322 COC(C)(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0207 [0,2,0,0,0,0|2,0,0]=4 1066 B14R1.411 CCC(CC)C(=O)NCC1CCCC1 WXVL_AK0303SB0055 [0,2,0,0,0,0|2,0,0]=4 1067 B14R1.411 CCC(CC)C(=O)NCC1CCCC1 WXVL_AK0303SB0055 [0,2,0,0,0,0|2,0,0]=4 1068 B14R1.411 CCC(CC)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0055 [0,2,0,0,0,0|1,0,0]=3 1069 B14R1.411 CCC(CC)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0055 [0,2,0,0,0,0|1,0,0]=3 1070 B14R1.411 COC(OC)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB8546 [0,2,0,0,0,0|2,0,0]=4 1071 B14R1.411 COC(OC)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB8546 [0,2,0,0,0,0|2,0,0]=4 1072 B14R1.2787 CCC(C)C(=O)NCC1(CCCC1)C WXVL_AK0300SB0054 [0,2,0,0,0,0|2,0,0]=4 1073 B14R1.2787 CCC(C)C(=O)NCC1(CCCC1)C WXVL_AK0300SB0054 [0,2,0,0,0,0|2,0,0]=4 1074 B14R1.2787 CCC(C)C(=O)NCC1(CCCC1)O WXVL_AK00235SB0054 [0,2,0,0,0,0|2,0,0]=4 1075 B14R1.2787 CCC(C)C(=O)NCC1(CCCC1)O WXVL_AK00235SB0054 [0,2,0,0,0,0|2,0,0]=4 1076 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB0054 [0,2,0,0,0,0|2,0,0]=4 1077 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB0054 [0,2,0,0,0,0|2,0,0]=4 1078 B14R1.2787 CC[C@@H](C)C(=O)NCC1(CCCC1)C WXVL_AK0300SB00054 [0,2,0,0,0,0|2,0,0]=4 1079 B14R1.2787 CC[C@@H](C)C(=O)NCC1(CCCC1)C WXVL_AK0300SB00054 [0,2,0,0,0,0|2,0,0]=4 1080 B14R1.2787 CC[C@@H](C)C(=O)NCC1(CCCC1)O WXVL_AK00235SB00054 [0,2,0,0,0,0|2,0,0]=4 1081 B14R1.2787 CC[C@@H](C)C(=O)NCC1(CCCC1)O WXVL_AK00235SB00054 [0,2,0,0,0,0|2,0,0]=4 1082 B14R1.2787 CC[C@@H](C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB00054 [0,2,0,0,0,0|2,0,0]=4 1083 B14R1.2787 CC[C@@H](C)C(=O)NCC1(OCCO1)C WXVL_AK1675SB00054 [0,2,0,0,0,0|2,0,0]=4 1084 B14R1.2787 CC[C@H](O)C(=O)NCC1(CCCC1)C WXVL_AK0300SB3573 [0,2,0,0,0,0|2,0,0]=4 1085 B14R1.2787 CC[C@H](O)C(=O)NCC1(CCCC1)C WXVL_AK0300SB3573 [0,2,0,0,0,0|2,0,0]=4 1086 B14R1.2787 CC[C@H](O)C(=O)NCC1(CCCC1)O WXVL_AK00235SB3573 [0,2,0,0,0,0|2,0,0]=4 1087 B14R1.2787 CC[C@H](O)C(=O)NCC1(CCCC1)O WXVL_AK00235SB3573 [0,2,0,0,0,0|2,0,0]=4 1088 B14R1.2787 CC[C@H](O)C(=O)NCC1(OCCO1)C WXVL_AK1675SB3573 [0,2,0,0,0,0|2,0,0]=4 1089 B14R1.2787 CC[C@H](O)C(=O)NCC1(OCCO1)C WXVL_AK1675SB3573 [0,2,0,0,0,0|2,0,0]=4 1090 B14R1.3224 CC(C)C(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2578 [0,2,0,0,0,0|1,0,1]=4 1091 B14R1.3224 CC(C)C(=O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2578 [0,2,0,0,0,0|1,0,1]=4 1092 B14R1.3224 CC(C)C(O)C(=O)NCC1CCCC1 WXVL_AK0303SB1147 [0,2,0,0,0,0|2,0,0]=4 1093 B14R1.3224 CC(C)C(O)C(=O)NCC1CCCC1 WXVL_AK0303SB1147 [0,2,0,0,0,0|2,0,0]=4 1094 B14R1.3224 CC(C)C(O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1147 [0,2,0,0,0,0|1,0,0]=3 1095 B14R1.3224 CC(C)C(O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1147 [0,2,0,0,0,0|1,0,0]=3 1096 B14R1.1486 CC(C)CS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0149 [0,2,0,0,0,0|2,0,0]=4 1097 B14R1.1486 CC(C)CS(=O)(=O)NC[C@@H]1CCCO1 WXVL_AK00754HU0149 [0,2,0,0,0,0|2,0,0]=4 1098 B14R1.9400 CC(C)(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0062 [0,2,0,0,0,0|2,0,0]=4 1099 B14R1.9400 CC(C)(C)CC(=O)NCC1CCCC1 WXVL_AK0303SB0062 [0,2,0,0,0,0|2,0,0]=4 1100 B14R1.9400 CC(C)(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0062 [0,2,0,0,0,0|1,0,0]=3 1101 B14R1.9400 CC(C)(C)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0062 [0,2,0,0,0,0|1,0,0]=3 1102 B14R1.9400 CC(C)(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB0163 [0,2,0,0,0,0|2,0,0]=4 1103 B14R1.9400 CC(C)(O)CC(=O)NCC1CCCC1 WXVL_AK0303SB0163 [0,2,0,0,0,0|2,0,0]=4 1104 B14R1.9400 CC(C)(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0163 [0,2,0,0,0,0|1,0,0]=3 1105 B14R1.9400 CC(C)(O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0163 [0,2,0,0,0,0|1,0,0]=3 1106 B14R1.9400 CS(=O)(=O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0162 [0,2,0,0,0,0|2,0,0]=4 1107 B14R1.9400 CS(=O)(=O)CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0162 [0,2,0,0,0,0|2,0,0]=4 1108 B14R1.9400 O=C(CC(F)(F)F)NC[C@@H]1CCCO1 WXVL_AK00754SB0177 [0,2,0,0,0,0|2,0,0]=4 1109 B14R1.9400 O=C(CC(F)(F)F)NC[C@@H]1CCCO1 WXVL_AK00754SB0177 [0,2,0,0,0,0|2,0,0]=4 1110 B14R1.13051 CC(C)CC(=O)NCC1(CCCC1)C WXVL_AK0300SB0063 [0,2,0,0,0,0|2,0,0]=4 1111 B14R1.13051 CC(C)CC(=O)NCC1(CCCC1)C WXVL_AK0300SB0063 [0,2,0,0,0,0|2,0,0]=4 1112 B14R1.13051 CC(C)CC(=O)NCC1(CCCC1)O WXVL_AK00235SB0063 [0,2,0,0,0,0|2,0,0]=4 1113 B14R1.13051 CC(C)CC(=O)NCC1(CCCC1)O WXVL_AK00235SB0063 [0,2,0,0,0,0|2,0,0]=4 1114 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB0063 [0,2,0,0,0,0|2,0,0]=4 1115 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB0063 [0,2,0,0,0,0|2,0,0]=4 1116 B14R1.13051 CC(O)CC(=O)NCC1(CCCC1)C WXVL_AK0300SB3643 [0,2,0,0,0,0|2,0,0]=4 1117 B14R1.13051 CC(O)CC(=O)NCC1(CCCC1)C WXVL_AK0300SB3643 [0,2,0,0,0,0|2,0,0]=4 1118 B14R1.13051 CC(O)CC(=O)NCC1(CCCC1)O WXVL_AK00235SB3643 [0,2,0,0,0,0|2,0,0]=4 1119 B14R1.13051 CC(O)CC(=O)NCC1(CCCC1)O WXVL_AK00235SB3643 [0,2,0,0,0,0|2,0,0]=4 1120 B14R1.13051 CC(O)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB3643 [0,2,0,0,0,0|2,0,0]=4 1121 B14R1.13051 CC(O)CC(=O)NCC1(OCCO1)C WXVL_AK1675SB3643 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,1,1,0,0|2,0,0]=4 1123 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,1,1,0,0|2,0,0]=4 1124 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,0,1,1,0,0|1,0,0]=3 1125 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,0,1,1,0,0|1,0,0]=3 1126 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,1,1,0,0|2,0,0]=4 1127 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,0,1,1,0,0|2,0,0]=4 1128 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,0,1,1,0,0|2,0,0]=4 1129 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,0,1,1,0,0|2,0,0]=4 1130 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,0,1,1,0,0|2,0,0]=4 1131 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,0,1,1,0,0|2,0,0]=4 1132 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,0,1,1,0,0|2,0,0]=4 1133 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,0,1,1,0,0|1,0,0]=3 1134 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,0,1,1,0,0|1,0,0]=3 1135 B12R1.308 CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0073 [0,0,1,1,0,0|1,0,0]=3 1136 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,0,1,1,0,0|2,0,0]=4 1137 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,0,1,1,0,0|2,0,0]=4 1138 B12R1.308 COCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0090 [0,0,1,1,0,0|2,0,0]=4 1139 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,0,1,1,0,0|2,0,0]=4 1140 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,0,1,1,0,0|2,0,0]=4 1141 B12R1.308 CSCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB1267 [0,0,1,1,0,0|2,0,0]=4 1142 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,1,1,0,0|2,0,0]=4 1143 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,1,1,0,0|2,0,0]=4 1144 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,0,1,1,0,0|1,0,0]=3 1145 B12R1.316 COCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0090 [0,0,1,1,0,0|2,0,0]=4 1146 B12R1.316 CSCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB1267 [0,0,1,1,0,0|2,0,0]=4 1147 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,1,1,0,0|2,0,0]=4 1148 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,1,1,0,0|2,0,0]=4 1149 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,0,1,1,0,0|1,0,0]=3 1150 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,0,1,1,0,0|1,0,0]=3 1151 B12R1.923 O=C(NCCNCCO)C1CC1 WXVL_AK0954SB0038 [0,0,1,1,0,0|2,0,0]=4 1152 B12R1.923 O=C(NCCNCCO)C1CC1 WXVL_AK0954SB0038 [0,0,1,1,0,0|2,0,0]=4 1153 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,0,1,1,0,0|1,0,0]=3 1154 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,0,1,1,0,0|1,0,0]=3 1155 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,0,1,1,0,0|2,0,0]=4 1156 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,0,1,1,0,0|2,0,0]=4 1157 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,0,1,1,0,0|2,0,0]=4 1158 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,0,1,1,0,0|2,0,0]=4 1159 B12R1.312 CCCC(=O)N1CCC(C1)OC WXVL_AN0570SB0073 [0,0,1,1,0,0|1,0,0]=3 1160 B12R1.312 COC1CCN(C1)C(=O)CSC WXVL_AN0570SB1267 [0,0,1,1,0,0|2,0,0]=4 1161 B12R1.312 COCC(=O)N1CCC(C1)OC WXVL_AN0570SB0090 [0,0,1,1,0,0|2,0,0]=4 1162 B12R1.17 CCCC(=O)N1CCCC(C1)Br WXVL_AN00704SB0073 [0,0,1,1,0,0|2,0,0]=4 1163 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,0,1,1,0,0|2,0,0]=4 1164 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,0,1,1,0,0|2,0,0]=4 1165 B12R1.17 CCCC(=O)N1CCCC(C1)O WXVL_AN0622SB0073 [0,0,1,1,0,0|1,0,0]=3 1166 B12R1.17 CCCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB0073 [0,0,1,1,0,0|2,0,0]=4 1167 B12R1.17 CCCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0073 [0,0,1,1,0,0|1,0,0]=3 1168 B12R1.17 CCCC(=O)N1CCOC(C1)C WXVL_AN0569SB0073 [0,0,1,1,0,0|1,0,0]=3 1169 B12R1.17 CCCC(=O)N1CCOC(C1)O WXVL_AN00776SB0073 [0,0,1,1,0,0|2,0,0]=4 1170 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0073 [0,0,1,1,0,0|1,0,0]=3 1171 B12R1.17 CCCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0073 [0,0,1,1,0,0|1,0,0]=3 1172 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0073 [0,0,1,1,0,0|1,0,0]=3 1173 B12R1.17 CCCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0073 [0,0,1,1,0,0|1,0,0]=3 1174 B12R1.17 COCC(=O)N1CCCC(C1)O WXVL_AN0622SB0090 [0,0,1,1,0,0|2,0,0]=4 1175 B12R1.17 COCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0090 [0,0,1,1,0,0|2,0,0]=4 1176 B12R1.17 COCC(=O)N1CCOC(C1)C WXVL_AN0569SB0090 [0,0,1,1,0,0|2,0,0]=4 1177 B12R1.17 COCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0090 [0,0,1,1,0,0|2,0,0]=4 1178 B12R1.17 COCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0090 [0,0,1,1,0,0|2,0,0]=4 1179 B12R1.17 COCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0090 [0,0,1,1,0,0|2,0,0]=4 1180 B12R1.17 COCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0090 [0,0,1,1,0,0|2,0,0]=4 1181 B12R1.17 CSCC(=O)N1CCCC(C1)O WXVL_AN0622SB1267 [0,0,1,1,0,0|2,0,0]=4 1182 B12R1.17 CSCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB1267 [0,0,1,1,0,0|2,0,0]=4 1183 B12R1.17 CSCC(=O)N1CCOC(C1)C WXVL_AN0569SB1267 [0,0,1,1,0,0|2,0,0]=4 1184 B12R1.17 CSCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB1267 [0,0,1,1,0,0|2,0,0]=4 1185 B12R1.17 CSCC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB1267 [0,0,1,1,0,0|2,0,0]=4 1186 B12R1.17 CSCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB1267 [0,0,1,1,0,0|2,0,0]=4 1187 B12R1.17 CSCC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB1267 [0,0,1,1,0,0|2,0,0]=4 1188 B12R1.313 CCCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0073 [0,0,1,1,0,0|1,0,0]=3 1189 B12R1.313 COCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0090 [0,0,1,1,0,0|2,0,0]=4 1190 B12R1.313 CSCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB1267 [0,0,1,1,0,0|2,0,0]=4 1191 B12R2.1596 CCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0064 [1,0,0,1,0,0|2,0,0]=4 1192 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0064 [1,0,0,1,0,0|1,0,0]=3 1193 B12R2.1596 CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00442SB1121 [1,0,0,1,0,0|2,0,0]=4 1194 B12R2.1596 CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00442SB1121 [1,0,0,1,0,0|2,0,0]=4 1195 B12R2.1596 O=C(CO)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB2706 [1,0,0,1,0,0|2,0,0]=4 1196 B12R2.4795 O=C(NCC1CCC1)C2CC2 WXVL_AK00492SB0038 [0,0,0,1,1,0|1,0,0]=3 1197 B12R2.4795 O=C(NCC1CCC1)C2CC2 WXVL_AK00492SB0038 [0,0,0,1,1,0|1,0,0]=3 1198 B12R2.4795 O=C(NCC1CCO1)C2CC2 WXVL_AK1433SB0038 [0,0,0,1,1,0|1,0,0]=3 1199 B12R2.4795 O=C(NCC1CCO1)C2CC2 WXVL_AK1433SB0038 [0,0,0,1,1,0|1,0,0]=3 1200 B12R2.4795 O=C(NCC1COC1)C2CC2 WXVL_AK0186SB0038 [0,0,0,1,1,0|2,0,0]=4 1201 B12R2.4795 O=C(NCC1COC1)C2CC2 WXVL_AK0186SB0038 [0,0,0,1,1,0|2,0,0]=4 1202 B14R2.2899 O=C(NCC1CCCCO1)C2CC2 WXVL_AK1232SB0038 [0,0,0,1,0,1|1,0,0]=3 1203 B14R2.2899 O=C(NCC1CCCCO1)C2CC2 WXVL_AK1232SB0038 [0,0,0,1,0,1|1,0,0]=3 1204 B14R2.2899 O=C(NCC1CCCOC1)C2CC2 WXVL_AK00150SB0038 [0,0,0,1,0,1|1,0,0]=3 1205 B14R2.2899 O=C(NCC1CCCOC1)C2CC2 WXVL_AK00150SB0038 [0,0,0,1,0,1|1,0,0]=3 1206 B14R2.2899 O=C(NCC1CCOCC1)C2CC2 WXVL_AK0150SB0038 [0,0,0,1,0,1|2,0,0]=4 1207 B14R2.2899 O=C(NCC1CCOCC1)C2CC2 WXVL_AK0150SB0038 [0,0,0,1,0,1|2,0,0]=4 1208 B14R2.2899 O=C(NCC1CCSCC1)C2CC2 WXVL_AK00654SB0038 [0,0,0,1,0,1|2,0,0]=4 1209 B14R2.2899 O=C(NCC1CCSCC1)C2CC2 WXVL_AK00654SB0038 [0,0,0,1,0,1|2,0,0]=4 1210 B14R2.2899 O=C(NCC1CNCCO1)C2CC2 WXVL_AK1379SB0038 [0,0,0,1,0,1|1,0,0]=3 1211 B14R2.2899 O=C(NCC1CNCCO1)C2CC2 WXVL_AK1379SB0038 [0,0,0,1,0,1|1,0,0]=3 1212 B14R2.2899 O=C(NC[C@H]1COCCO1)C2CC2 WXVL_AK00567SB0038 [0,0,0,1,0,1|1,0,0]=3 1213 B14R2.2899 O=C(NC[C@H]1COCCO1)C2CC2 WXVL_AK00567SB0038 [0,0,0,1,0,1|1,0,0]=3 1214 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0073 [0,0,0,1,0,1|2,0,0]=4 1215 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0073 [0,0,0,1,0,1|2,0,0]=4 1216 B14R2.9964 CCCC(=O)N1CC2CCC1CO2 WXVL_AN00597SB0073 [0,0,0,1,0,1|1,0,0]=3 1217 B14R2.9964 COCC(=O)N1CC2CCC1CO2 WXVL_AN00597SB0090 [0,0,0,1,0,1|2,0,0]=4 1218 B14R2.9964 CSCC(=O)N1CC2CCC1CO2 WXVL_AN00597SB1267 [0,0,0,1,0,1|2,0,0]=4 1219 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 WXVL_AK00531SB0038 [0,0,0,1,0,1|2,0,0]=4 1220 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 WXVL_AK00531SB0038 [0,0,0,1,0,1|2,0,0]=4 1221 B14R2.840 CCCC(=O)N1CC2CCC(C1)O2 WXVL_AN0289SB0073 [0,1,0,1,0,0|1,0,0]=3 1222 B14R2.840 COCC(=O)N1CC2CCC(C1)O2 WXVL_AN0289SB0090 [0,1,0,1,0,0|2,0,0]=4 1223 B14R2.840 CSCC(=O)N1CC2CCC(C1)O2 WXVL_AN0289SB1267 [0,1,0,1,0,0|2,0,0]=4 1224 B14R2.4373 O=C(NCC1CCC(C1)F)C2CC2 WXVL_AK00226SB0038 [0,1,0,1,0,0|2,0,0]=4 1225 B14R2.4373 O=C(NCC1CCC(C1)F)C2CC2 WXVL_AK00226SB0038 [0,1,0,1,0,0|2,0,0]=4 1226 B14R2.839 CCCC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0073 [0,1,0,1,0,0|2,0,0]=4 1227 B14R2.839 CCCC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0073 [0,1,0,1,0,0|2,0,0]=4 1228 B14R2.674 CC1CC1C(=O)NCC2CCCC2 WXVL_AK0303SB0041 [0,1,0,1,0,0|2,0,0]=4 1229 B14R2.674 CC1CC1C(=O)NCC2CCCC2 WXVL_AK0303SB0041 [0,1,0,1,0,0|2,0,0]=4 1230 B14R2.674 CC1CC1C(=O)NC[C@@H]2CCCO2 WXVL_AK00754SB0041 [0,1,0,1,0,0|1,0,0]=3 1231 B14R2.674 CC1CC1C(=O)NC[C@@H]2CCCO2 WXVL_AK00754SB0041 [0,1,0,1,0,0|1,0,0]=3 1232 B14R2.674 O=C(NCC1CCCC1)[C@@H]2C[C@@H]2F WXVL_AK0303SB1245 [0,1,0,1,0,0|2,0,0]=4 1233 B14R2.674 O=C(NCC1CCCC1)[C@@H]2C[C@@H]2F WXVL_AK0303SB1245 [0,1,0,1,0,0|2,0,0]=4 1234 B14R2.674 O=C(NCC1CCCC1)[C@H]2C[C@H]2F WXVL_AK0303SB00019 [0,1,0,1,0,0|2,0,0]=4 1235 B14R2.674 O=C(NCC1CCCC1)[C@H]2C[C@H]2F WXVL_AK0303SB00019 [0,1,0,1,0,0|2,0,0]=4 1236 B14R2.674 O=C(NC[C@@H]1CCCO1)[C@@H]2C[C@@H]2F WXVL_AK00754SB1245 [0,1,0,1,0,0|1,0,0]=3 1237 B14R2.674 O=C(NC[C@@H]1CCCO1)[C@@H]2C[C@@H]2F WXVL_AK00754SB1245 [0,1,0,1,0,0|1,0,0]=3 1238 B14R2.674 O=C(NC[C@@H]1CCCO1)[C@H]2C[C@H]2F WXVL_AK00754SB00019 [0,1,0,1,0,0|1,0,0]=3 1239 B14R2.674 O=C(NC[C@@H]1CCCO1)[C@H]2C[C@H]2F WXVL_AK00754SB00019 [0,1,0,1,0,0|1,0,0]=3 1240 B14R2.2647 C#CCCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB2189 [0,1,0,1,0,0|1,0,1]=4 1241 B14R2.2647 C=CCCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB1035 [0,1,0,1,0,0|1,0,1]=4 1242 B14R2.2647 CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00504SB1121 [0,1,0,1,0,0|1,0,0]=3 1243 B14R2.2647 CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00504SB1121 [0,1,0,1,0,0|1,0,0]=3 1244 B14R2.2647 CCOCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0091 [0,1,0,1,0,0|2,0,0]=4 1245 B14R2.2647 CCOCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0091 [0,1,0,1,0,0|1,0,0]=3 1246 B14R2.2647 CCSCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0002 [0,1,0,1,0,0|2,0,0]=4 1247 B14R2.2647 CCSCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0002 [0,1,0,1,0,0|1,0,0]=3 1248 B14R2.2647 COCCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0156 [0,1,0,1,0,0|2,0,0]=4 1249 B14R2.2647 COCCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0156 [0,1,0,1,0,0|1,0,0]=3 1250 B14R2.2647 CSCCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0361 [0,1,0,1,0,0|2,0,0]=4 1251 B14R2.2647 CSCCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0361 [0,1,0,1,0,0|1,0,0]=3 1252 B14R2.2647 O=C(NCCCl)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626YV0092 [0,1,0,1,0,0|2,0,0]=4 1253 B14R2.2647 O=C(NCCF)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00466SB1121 [0,1,0,1,0,0|2,0,0]=4 1254 B14R2.2647 O=C(NCCF)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00466SB1121 [0,1,0,1,0,0|2,0,0]=4 1255 B14R2.13184 O=C(CC1CC1)NCC2CCCC2 WXVL_AK0303SB0155 [0,1,0,1,0,0|2,0,0]=4 1256 B14R2.13184 O=C(CC1CC1)NCC2CCCC2 WXVL_AK0303SB0155 [0,1,0,1,0,0|2,0,0]=4 1257 B14R2.13184 O=C(CC1CC1)NC[C@@H]2CCCO2 WXVL_AK00754SB0155 [0,1,0,1,0,0|1,0,0]=3 1258 B14R2.13184 O=C(CC1CC1)NC[C@@H]2CCCO2 WXVL_AK00754SB0155 [0,1,0,1,0,0|1,0,0]=3 1259 B14R2.13184 O=C(CCC1CCCC1)NC2CC2 WXVL_AK0001SB0045 [0,1,0,1,0,0|2,0,0]=4 1260 B14R2.13184 O=C(CCC1CCCC1)NC2CC2 WXVL_AK0001SB0045 [0,1,0,1,0,0|2,0,0]=4 1261 B14R2.40225 O=C(NCC1CCCC1)C2CCC2 WXVL_AK0303SB0042 [0,1,0,1,0,0|2,0,0]=4 1262 B14R2.40225 O=C(NCC1CCCC1)C2CCC2 WXVL_AK0303SB0042 [0,1,0,1,0,0|2,0,0]=4 1263 B14R2.40225 O=C(NC[C@@H]1CCCO1)C2CCC2 WXVL_AK00754SB0042 [0,1,0,1,0,0|1,0,0]=3 1264 B14R2.40225 O=C(NC[C@@H]1CCCO1)C2CCC2 WXVL_AK00754SB0042 [0,1,0,1,0,0|1,0,0]=3 1265 B14R2.4730 CN1CCC[C@H]1CNC(=O)C2CC2 WXVL_AK00784SB0038 [0,1,0,1,0,0|2,0,0]=4 1266 B14R2.4730 CN1CCC[C@H]1CNC(=O)C2CC2 WXVL_AK00784SB0038 [0,1,0,1,0,0|2,0,0]=4 1267 B14R2.9962 CCCC(=O)N1C[C@@H]2C[C@H]1CN2C WXVL_AN00538SB0073 [0,1,0,1,0,0|2,0,0]=4 1268 B14R2.9962 CCCC(=O)N1C[C@H]2C[C@@H]1CN2C WXVL_AN00645SB0073 [0,1,0,1,0,0|2,0,0]=4 1269 B14R2.2782 CCC(=O)C(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0344 [0,1,0,1,0,0|1,0,1]=4 1270 B14R2.2782 CCC(C)C(=O)N1CC2CCC1C2 WXVL_AN3504SB0054 [0,1,0,1,0,0|2,0,0]=4 1271 B14R2.2782 CCC(C)C(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0054 [0,1,0,1,0,0|1,0,0]=3 1272 B14R2.2782 CC[C@@H](C)C(=O)N1CC2CCC1C2 WXVL_AN3504SB00054 [0,1,0,1,0,0|2,0,0]=4 1273 B14R2.2782 CC[C@@H](C)C(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB00054 [0,1,0,1,0,0|1,0,0]=3 1274 B14R2.2782 CC[C@H](O)C(=O)N1CC2CCC1C2 WXVL_AN3504SB3573 [0,1,0,1,0,0|2,0,0]=4 1275 B14R2.2782 CC[C@H](O)C(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB3573 [0,1,0,1,0,0|1,0,0]=3 1276 B14R2.2782 CO[C@H](C)C(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB2926 [0,1,0,1,0,0|2,0,0]=4 1277 B14R2.13183 CC1(CC1)C(=O)NCC2CCCC2 WXVL_AK0303SB0040 [0,1,0,1,0,0|2,0,0]=4 1278 B14R2.13183 CC1(CC1)C(=O)NCC2CCCC2 WXVL_AK0303SB0040 [0,1,0,1,0,0|2,0,0]=4 1279 B14R2.13183 CC1(CC1)C(=O)NC[C@@H]2CCCO2 WXVL_AK00754SB0040 [0,1,0,1,0,0|1,0,0]=3 1280 B14R2.13183 CC1(CC1)C(=O)NC[C@@H]2CCCO2 WXVL_AK00754SB0040 [0,1,0,1,0,0|1,0,0]=3 1281 B14R2.13183 O=C(NCC1CCCC1)C2(CC2)Br WXVL_AK0303SB5517 [0,1,0,1,0,0|2,0,0]=4 1282 B14R2.13183 O=C(NCC1CCCC1)C2(CC2)Br WXVL_AK0303SB5517 [0,1,0,1,0,0|2,0,0]=4 1283 B14R2.13183 O=C(NCC1CCCC1)C2(CC2)F WXVL_AK0303SB0218 [0,1,0,1,0,0|2,0,0]=4 1284 B14R2.13183 O=C(NCC1CCCC1)C2(CC2)F WXVL_AK0303SB0218 [0,1,0,1,0,0|2,0,0]=4 1285 B14R2.13183 O=C(NCC1CCCC1)C2(CC2)O WXVL_AK0303SB2965 [0,1,0,1,0,0|2,0,0]=4 1286 B14R2.13183 O=C(NCC1CCCC1)C2(CC2)O WXVL_AK0303SB2965 [0,1,0,1,0,0|2,0,0]=4 1287 B14R2.13183 O=C(NC[C@@H]1CCCO1)C2(CC2)Br WXVL_AK00754SB5517 [0,1,0,1,0,0|1,0,0]=3 1288 B14R2.13183 O=C(NC[C@@H]1CCCO1)C2(CC2)Br WXVL_AK00754SB5517 [0,1,0,1,0,0|1,0,0]=3 1289 B14R2.13183 O=C(NC[C@@H]1CCCO1)C2(CC2)F WXVL_AK00754SB0218 [0,1,0,1,0,0|1,0,0]=3 1290 B14R2.13183 O=C(NC[C@@H]1CCCO1)C2(CC2)F WXVL_AK00754SB0218 [0,1,0,1,0,0|1,0,0]=3 1291 B14R2.13183 O=C(NC[C@@H]1CCCO1)C2(CC2)O WXVL_AK00754SB2965 [0,1,0,1,0,0|1,0,0]=3 1292 B14R2.13183 O=C(NC[C@@H]1CCCO1)C2(CC2)O WXVL_AK00754SB2965 [0,1,0,1,0,0|1,0,0]=3 1293 B14R2.20712 CC(C)CC(=O)N1CC2CCC1C2 WXVL_AN3504SB0063 [0,1,0,1,0,0|2,0,0]=4 1294 B14R2.20712 CC(C)CC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0063 [0,1,0,1,0,0|1,0,0]=3 1295 B14R2.20712 CC(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK0030SB1121 [0,1,0,1,0,0|2,0,0]=4 1296 B14R2.20712 CC(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK0030SB1121 [0,1,0,1,0,0|2,0,0]=4 1297 B14R2.20712 CC(O)CC(=O)N1CC2CCC1C2 WXVL_AN3504SB3643 [0,1,0,1,0,0|2,0,0]=4 1298 B14R2.20712 CC(O)CC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB3643 [0,1,0,1,0,0|1,0,0]=3 1299 B14R2.20712 CN(C)CC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0085 [0,1,0,1,0,0|2,0,0]=4 1300 B14R2.15035 CCCS(=O)(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626HU0030 [0,1,0,1,0,0|2,0,0]=4 1301 B14R2.53926 O=S(=O)(NC[C@@H]1CCCO1)C2CC2 WXVL_AK00754HU0097 [0,1,0,1,0,0|2,0,0]=4 1302 B14R2.53926 O=S(=O)(NC[C@@H]1CCCO1)C2CC2 WXVL_AK00754HU0097 [0,1,0,1,0,0|2,0,0]=4 1303 B14R2.63057 CC1(CCCC1)CNC(=O)C2CC2 WXVL_AK0300SB0038 [0,1,0,1,0,0|2,0,0]=4 1304 B14R2.63057 CC1(CCCC1)CNC(=O)C2CC2 WXVL_AK0300SB0038 [0,1,0,1,0,0|2,0,0]=4 1305 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 WXVL_AK1675SB0038 [0,1,0,1,0,0|2,0,0]=4 1306 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 WXVL_AK1675SB0038 [0,1,0,1,0,0|2,0,0]=4 1307 B14R2.63057 O=C(NCC1(CCCC1)O)C2CC2 WXVL_AK00235SB0038 [0,1,0,1,0,0|2,0,0]=4 1308 B14R2.63057 O=C(NCC1(CCCC1)O)C2CC2 WXVL_AK00235SB0038 [0,1,0,1,0,0|2,0,0]=4 1309 B14R3.19231 O=C(C1CC1)N2CC3CCC2C3 WXVL_AN3504SB0038 [0,0,0,2,0,0|2,0,0]=4 1310 B14R3.19231 O=C(C1CC1)N2C[C@H]3C[C@@H]2CO3 WXVL_AN00626SB0038 [0,0,0,2,0,0|1,0,0]=3 1311 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,1,0,1,0|2,0,0]=4 1312 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,1,0,1,0|2,0,0]=4 1313 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,0,1,0|2,0,0]=4 1314 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,0,1,0|2,0,0]=4 1315 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,0,1,0|1,0,0]=3 1316 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,0,1,0|1,0,0]=3 1317 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,0,1,0|1,0,0]=3 1318 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,0,1,0|1,0,0]=3 1319 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,0,1,0|2,0,0]=4 1320 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,0,1,0|2,0,0]=4 1321 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,0,1,0|2,0,0]=4 1322 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,0,1,0|2,0,0]=4 1323 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,0,1,0|2,0,0]=4 1324 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,0,1,0|2,0,0]=4 1325 B10R1.151 O=C(CO)NCC1CCO1 WXVL_AK1433SB2706 [1,0,0,0,1,0|2,0,0]=4 1326 B10R1.151 O=C(CO)NCC1CCO1 WXVL_AK1433SB2706 [1,0,0,0,1,0|2,0,0]=4 1327 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,0,2,0|2,0,0]=4 1328 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,0,2,0|2,0,0]=4 1329 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,0,2,0|2,0,0]=4 1330 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,0,2,0|2,0,0]=4 1331 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,0,2,0|1,0,0]=3 1332 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,0,2,0|1,0,0]=3 1333 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,0,2,0|1,1,0]=4 1334 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,0,2,0|1,1,0]=4 1335 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,0,2,0|1,0,0]=3 1336 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,0,2,0|1,0,0]=3 1337 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [0,0,0,0,2,0|2,0,0]=4 1338 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [0,0,0,0,2,0|2,0,0]=4 1339 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [0,0,0,0,2,0|2,0,0]=4 1340 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [0,0,0,0,2,0|2,0,0]=4 1341 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,0,2,0|1,0,0]=3 1342 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,0,2,0|1,0,0]=3 1343 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,0,2,0|2,0,0]=4 1344 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,0,2,0|2,0,0]=4 1345 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [1,0,0,0,0,1|1,0,0]=3 1346 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [1,0,0,0,0,1|1,0,0]=3 1347 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [1,0,0,0,0,1|1,0,0]=3 1348 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [1,0,0,0,0,1|1,0,0]=3 1349 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [1,0,0,0,0,1|2,0,0]=4 1350 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [1,0,0,0,0,1|2,0,0]=4 1351 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [1,0,0,0,0,1|2,0,0]=4 1352 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [1,0,0,0,0,1|2,0,0]=4 1353 B12R1.27 CCC(=O)NCC1CNCCO1 WXVL_AK1379SB0064 [1,0,0,0,0,1|1,0,0]=3 1354 B12R1.27 CCC(=O)NCC1CNCCO1 WXVL_AK1379SB0064 [1,0,0,0,0,1|1,0,0]=3 1355 B12R1.27 CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0064 [1,0,0,0,0,1|1,0,0]=3 1356 B12R1.27 CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0064 [1,0,0,0,0,1|1,0,0]=3 1357 B12R1.27 O=C(CO)NCC1CCCCO1 WXVL_AK1232SB2706 [1,0,0,0,0,1|2,0,0]=4 1358 B12R1.27 O=C(CO)NCC1CCCCO1 WXVL_AK1232SB2706 [1,0,0,0,0,1|2,0,0]=4 1359 B12R1.27 O=C(CO)NCC1CCCOC1 WXVL_AK00150SB2706 [1,0,0,0,0,1|2,0,0]=4 1360 B12R1.27 O=C(CO)NCC1CCCOC1 WXVL_AK00150SB2706 [1,0,0,0,0,1|2,0,0]=4 1361 B12R1.27 O=C(CO)NCC1CNCCO1 WXVL_AK1379SB2706 [1,0,0,0,0,1|2,0,0]=4 1362 B12R1.27 O=C(CO)NCC1CNCCO1 WXVL_AK1379SB2706 [1,0,0,0,0,1|2,0,0]=4 1363 B12R1.27 O=C(CO)NC[C@H]1COCCO1 WXVL_AK00567SB2706 [1,0,0,0,0,1|2,0,0]=4 1364 B12R1.27 O=C(CO)NC[C@H]1COCCO1 WXVL_AK00567SB2706 [1,0,0,0,0,1|2,0,0]=4 1365 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [0,0,0,0,0,2|2,0,0]=4 1366 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [0,0,0,0,0,2|2,0,0]=4 1367 B14R1.520 CCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0073 [0,0,0,0,0,2|2,0,0]=4 1368 B14R1.520 CCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0073 [0,0,0,0,0,2|2,0,0]=4 1369 B14R1.609 CCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0073 [0,0,0,0,0,2|2,0,0]=4 1370 B14R1.609 CCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0073 [0,0,0,0,0,2|2,0,0]=4