0 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 27 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|3,0,0]=4 30 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|2,0,0]=3 34 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|3,0,0]=4 35 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 39 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 40 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 41 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 42 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.34 CCC(=O)NC(C)CCO WXVL_AK1288SB0064 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.34 CCC(=O)N[C@@H](C)COC WXVL_AK0137SB0064 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.34 CCC(=O)N[C@H](C)COC WXVL_AK00613SB0064 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.34 CCC[C@H](C)NC(=O)CC WXVL_AK00682SB0064 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.34 CCC[C@H](C)NC(=O)CO WXVL_AK00682SB2706 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [1,0,0,0,0,0|1,0,2]=4 57 B9R0.34 CCNC(=O)CC(=O)OC WXVL_AK00476SB2790 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,0,0,0,0,0|1,0,0]=2 61 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,0,0,0,0,0|1,0,0]=2 62 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,0,0,0,0,0|2,0,0]=3 63 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,0,0,0,0,0|1,0,2]=4 65 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,0,0,0,0,0|1,0,2]=4 66 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,0|3,0,0]=4 67 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,1,0,0,0,0|3,0,0]=4 68 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,0|3,0,0]=4 69 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,1,0,0,0,0|3,0,0]=4 70 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,0,0|1,0,2]=4 71 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,1,0,0,0,0|1,0,2]=4 72 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|0,0,2]=3 73 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|0,0,2]=3 74 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,0|3,0,0]=4 75 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,1,0,0,0,0|3,0,0]=4 76 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,0|3,0,0]=4 77 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,1,0,0,0,0|3,0,0]=4 78 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,0|2,0,0]=3 79 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,1,0,0,0,0|2,0,0]=3 80 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,0|2,1,0]=4 81 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,1,0,0,0,0|2,1,0]=4 82 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,1,0,0,0,0|3,0,0]=4 84 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,0|1,0,2]=4 85 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,0|1,0,2]=4 86 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,1,0,0,0,0|3,0,0]=4 87 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,1,0,0,0,0|3,0,0]=4 88 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,1,0,0,0,0|3,0,0]=4 89 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,1,0,0,0,0|3,0,0]=4 90 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.182 C/C=C/C(=O)N[C@H](CO)CCC WXVL_AK2551SB0340 [0,1,0,0,0,0|2,0,1]=4 93 B11R0.182 C/C=C/C(=O)N[C@H](CO)CCC WXVL_AK2551SB0340 [0,1,0,0,0,0|2,0,1]=4 94 B11R0.182 CC#CC(=O)N[C@H](CO)CCC WXVL_AK2551SB1240 [0,1,0,0,0,0|2,0,1]=4 95 B11R0.182 CC#CC(=O)N[C@H](CO)CCC WXVL_AK2551SB1240 [0,1,0,0,0,0|2,0,1]=4 96 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,0|2,0,0]=3 97 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,1,0,0,0,0|2,0,0]=3 98 B11R0.182 CCC[C@@H](CO)NC(=O)COC WXVL_AK2551SB0090 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.182 CCC[C@@H](CO)NC(=O)COC WXVL_AK2551SB0090 [0,1,0,0,0,0|3,0,0]=4 100 B11R0.182 CCC[C@@H](CO)NC(=O)CSC WXVL_AK2551SB1267 [0,1,0,0,0,0|3,0,0]=4 101 B11R0.182 CCC[C@@H](CO)NC(=O)CSC WXVL_AK2551SB1267 [0,1,0,0,0,0|3,0,0]=4 102 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,1,0,0,0,0|3,0,0]=4 104 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,0|3,0,0]=4 105 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,0|3,0,0]=4 107 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,1,0,0,0,0|3,0,0]=4 108 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,0|3,0,0]=4 109 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,1,0,0,0,0|3,0,0]=4 110 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,1,0,0,0,0|2,0,1]=4 111 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|2,0,0]=3 113 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|2,0,0]=3 114 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|3,0,0]=4 115 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|3,0,0]=4 116 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,0,0,1,0,0|3,0,0]=4 117 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|2,0,0]=3 118 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|2,0,0]=3 119 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|3,0,0]=4 120 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|3,0,0]=4 121 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,0|3,0,0]=4 122 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,0,0,1,0,0|3,0,0]=4 123 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,0,0,1,0,0|3,0,0]=4 125 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,0|3,0,0]=4 126 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,0,0,1,0,0|3,0,0]=4 127 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,0|3,0,0]=4 128 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,0,0,1,0,0|3,0,0]=4 129 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,0|1,0,0]=2 130 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,0,0,1,0,0|1,0,0]=2 131 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,1,0|2,0,0]=3 132 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [0,0,0,0,1,0|2,0,0]=3 133 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,1,0|1,0,0]=2 134 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [0,0,0,0,1,0|1,0,0]=2 135 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,1,0|1,0,2]=4 136 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [0,0,0,0,1,0|1,0,2]=4 137 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,1|1,0,2]=4 138 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,0,0,0,0,1|1,0,2]=4 139 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|2,0,0]=4 140 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|2,0,0]=4 141 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 142 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 143 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 144 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 145 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 146 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 147 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 148 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 149 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 150 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 151 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 152 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 153 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 154 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 155 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 156 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 157 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 158 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 159 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 160 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 161 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [2,0,0,0,0,0|2,0,0]=4 162 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [2,0,0,0,0,0|2,0,0]=4 163 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [2,0,0,0,0,0|2,0,0]=4 164 B8R0.5 CCNC(=O)CC(C)C WXVL_AK00476SB0063 [2,0,0,0,0,0|2,0,0]=4 165 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [2,0,0,0,0,0|1,0,0]=3 166 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [2,0,0,0,0,0|1,0,0]=3 167 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [2,0,0,0,0,0|2,0,0]=4 168 B8R0.19 CCC(=O)N[C@@H](C)CC WXVL_AK00678SB0064 [2,0,0,0,0,0|2,0,0]=4 169 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [2,0,0,0,0,0|2,0,0]=4 170 B8R0.19 CCC(C)CC(=O)NC WXVL_AK00442SB0353 [2,0,0,0,0,0|2,0,0]=4 171 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [2,0,0,0,0,0|1,0,0]=3 172 B8R0.19 CCC(O)CC(=O)NC WXVL_AK00442SB4092 [2,0,0,0,0,0|1,0,0]=3 173 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [2,0,0,0,0,0|2,0,0]=4 174 B8R0.19 CC[C@@H](C)CC(=O)NC WXVL_AK00442SB8650 [2,0,0,0,0,0|2,0,0]=4 175 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|1,0,1]=4 176 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,1,0,0,0,0|1,0,1]=4 177 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,1,0,0,0,0|1,0,1]=4 178 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,1,0,0,0,0|2,0,0]=4 180 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,1,0,0,0,0|2,0,0]=4 181 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,1,0,0,0,0|2,0,0]=4 182 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,1,0,0,0,0|2,0,0]=4 183 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,1,0,0,0,0|2,0,0]=4 184 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,1,0,0,0,0|2,0,0]=4 185 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,1,0,0,0,0|2,0,0]=4 186 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,1,0,0,0,0|2,0,0]=4 187 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,1,0,0,0,0|1,0,0]=3 188 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,1,0,0,0,0|1,0,0]=3 189 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,1,0,0,0,0|2,0,0]=4 190 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,1,0,0,0,0|2,0,0]=4 191 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,1,0,0,0,0|2,0,0]=4 192 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,1,0,0,0,0|2,0,0]=4 193 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,1,0,0,0,0|1,0,0]=3 194 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,1,0,0,0,0|1,0,0]=3 195 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,1,0,0,0,0|1,0,0]=3 196 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,1,0,0,0,0|1,0,0]=3 197 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,1,0,0,0,0|2,0,0]=4 198 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [1,1,0,0,0,0|2,0,0]=4 199 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [1,1,0,0,0,0|2,0,0]=4 200 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [1,1,0,0,0,0|2,0,0]=4 201 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,0]=3 202 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,0]=3 203 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [1,1,0,0,0,0|2,0,0]=4 204 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [1,1,0,0,0,0|2,0,0]=4 205 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|1,0,1]=4 206 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|1,0,1]=4 207 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 208 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 209 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 210 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 211 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|2,0,0]=4 212 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|2,0,0]=4 213 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|2,0,0]=4 214 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|2,0,0]=4 215 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 216 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 217 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 218 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 219 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|2,0,0]=4 220 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|2,0,0]=4 221 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|2,0,0]=4 222 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|2,0,0]=4 223 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|2,0,0]=4 224 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|2,0,0]=4 225 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|2,0,0]=4 226 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|2,0,0]=4 227 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,1,0,0,0,0|2,0,0]=4 228 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,1,0,0,0,0|2,0,0]=4 229 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,1,0,0,0,0|2,0,0]=4 230 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,1,0,0,0,0|2,0,0]=4 231 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,0]=3 232 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,0]=3 233 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,1,0,0,0,0|1,1,0]=4 234 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,1,0,0,0,0|1,1,0]=4 235 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,1,0,0,0,0|2,0,0]=4 236 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,1,0,0,0,0|2,0,0]=4 237 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,1,0,0,0,0|2,0,0]=4 238 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,1,0,0,0,0|2,0,0]=4 239 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,1,0,0,0,0|2,0,0]=4 240 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,1,0,0,0,0|2,0,0]=4 241 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,1,0,0,0,0|2,0,0]=4 242 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,1,0,0,0,0|2,0,0]=4 243 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,1,0,0,0,0|2,0,0]=4 244 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,1,0,0,0,0|2,0,0]=4 245 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,1,0,0,0,0|2,0,0]=4 246 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,1,0,0,0,0|2,0,0]=4 247 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,1,0,0,0,0|2,0,0]=4 248 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,1,0,0,0,0|2,0,0]=4 249 B10R0.18 C=CCNC(=O)CC(O)CC WXVL_AK00561SB4092 [1,1,0,0,0,0|1,0,1]=4 250 B10R0.18 C=CCNC(=O)CC(O)CC WXVL_AK00561SB4092 [1,1,0,0,0,0|1,0,1]=4 251 B10R0.18 CCC(C)CC(=O)NCCF WXVL_AK00466SB0353 [1,1,0,0,0,0|2,0,0]=4 252 B10R0.18 CCC(C)CC(=O)NCCF WXVL_AK00466SB0353 [1,1,0,0,0,0|2,0,0]=4 253 B10R0.18 CCC(O)CC(=O)NCC#N WXVL_AK0683SB4092 [1,1,0,0,0,0|1,0,1]=4 254 B10R0.18 CCC(O)CC(=O)NCC#N WXVL_AK0683SB4092 [1,1,0,0,0,0|1,0,1]=4 255 B10R0.18 CCC(O)CC(=O)NCCF WXVL_AK00466SB4092 [1,1,0,0,0,0|1,0,0]=3 256 B10R0.18 CCC(O)CC(=O)NCCF WXVL_AK00466SB4092 [1,1,0,0,0,0|1,0,0]=3 257 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|0,0,2]=4 258 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|0,0,2]=4 259 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [1,1,0,0,0,0|2,0,0]=4 260 B10R0.18 CCCNC(=O)CC(C)CC WXVL_AK00504SB0353 [1,1,0,0,0,0|2,0,0]=4 261 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [1,1,0,0,0,0|1,0,0]=3 262 B10R0.18 CCCNC(=O)CC(O)CC WXVL_AK00504SB4092 [1,1,0,0,0,0|1,0,0]=3 263 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [1,1,0,0,0,0|2,0,0]=4 264 B10R0.18 CCCNC(=O)C[C@H](C)CC WXVL_AK00504SB8650 [1,1,0,0,0,0|2,0,0]=4 265 B10R0.18 CCOCC(=O)N[C@@H](C)CC WXVL_AK00678SB0091 [1,1,0,0,0,0|2,0,0]=4 266 B10R0.18 CCOCC(=O)N[C@@H](C)CC WXVL_AK00678SB0091 [1,1,0,0,0,0|2,0,0]=4 267 B10R0.18 CC[C@@H](C)CC(=O)NCCF WXVL_AK00466SB8650 [1,1,0,0,0,0|2,0,0]=4 268 B10R0.18 CC[C@@H](C)CC(=O)NCCF WXVL_AK00466SB8650 [1,1,0,0,0,0|2,0,0]=4 269 B10R0.26 CCC[C@H](C)NC(=O)C(C)C WXVL_AK00682SB0052 [1,1,0,0,0,0|2,0,0]=4 270 B10R0.26 CCC[C@H](C)NC(=O)C(C)C WXVL_AK00682SB0052 [1,1,0,0,0,0|2,0,0]=4 271 B10R0.26 CCC[C@H](C)NC(=O)C(C)S WXVL_AK00682SB2708 [1,1,0,0,0,0|2,0,0]=4 272 B10R0.26 CCC[C@H](C)NC(=O)C(C)S WXVL_AK00682SB2708 [1,1,0,0,0,0|2,0,0]=4 273 B10R0.26 CCC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00682SB1085 [1,1,0,0,0,0|2,0,0]=4 274 B10R0.26 CCC[C@H](C)NC(=O)[C@@H](C)O WXVL_AK00682SB1085 [1,1,0,0,0,0|2,0,0]=4 275 B10R0.29 CCC[C@@H](CO)NC(=O)CC WXVL_AK2551SB0064 [1,1,0,0,0,0|1,0,0]=3 276 B10R0.29 CCC[C@@H](CO)NC(=O)CC WXVL_AK2551SB0064 [1,1,0,0,0,0|1,0,0]=3 277 B10R0.29 CCC[C@@H](CO)NC(=O)CO WXVL_AK2551SB2706 [1,1,0,0,0,0|2,0,0]=4 278 B10R0.29 CCC[C@@H](CO)NC(=O)CO WXVL_AK2551SB2706 [1,1,0,0,0,0|2,0,0]=4 279 B10R0.34 CCCC(=O)N[C@H](CC)CO WXVL_AK0111SB0073 [1,1,0,0,0,0|2,0,0]=4 280 B10R0.34 CCCC(=O)N[C@H](CC)CO WXVL_AK0111SB0073 [1,1,0,0,0,0|2,0,0]=4 281 B10R0.44 CCC(C)CC(=O)NC(C)C WXVL_AK0030SB0353 [1,1,0,0,0,0|2,0,0]=4 282 B10R0.44 CCC(C)CC(=O)NC(C)C WXVL_AK0030SB0353 [1,1,0,0,0,0|2,0,0]=4 283 B10R0.44 CCC(O)CC(=O)NC(C)C WXVL_AK0030SB4092 [1,1,0,0,0,0|1,0,0]=3 284 B10R0.44 CCC(O)CC(=O)NC(C)C WXVL_AK0030SB4092 [1,1,0,0,0,0|1,0,0]=3 285 B10R0.44 CC[C@@H](C)CC(=O)NC(C)C WXVL_AK0030SB8650 [1,1,0,0,0,0|2,0,0]=4 286 B10R0.44 CC[C@@H](C)CC(=O)NC(C)C WXVL_AK0030SB8650 [1,1,0,0,0,0|2,0,0]=4 287 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,1,0|2,0,0]=4 288 B10R0.32 CCCC(C)C(=O)NC(C)C WXVL_AK0030SB0352 [0,1,0,0,1,0|2,0,0]=4 289 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,1,0|1,0,0]=3 290 B10R0.32 CCC[C@H](O)C(=O)NC(C)C WXVL_AK0030SB3627 [0,1,0,0,1,0|1,0,0]=3 291 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,1,0|1,0,0]=3 292 B10R0.32 CCNC(=O)C(O)CC(C)C WXVL_AK00476SB4281 [0,1,0,0,1,0|1,0,0]=3 293 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,1,0|2,0,0]=4 294 B10R0.129 CCCC(C)(C)C(=O)NCC WXVL_AK00476SB0372 [0,1,0,0,1,0|2,0,0]=4 295 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,1,0,0,0,1|0,0,2]=4 296 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,1,0,0,0,1|0,0,2]=4 297 B12R0.69 CCC[C@H](C)NC(=O)C(=O)OCC WXVL_AK00682SB4144 [0,1,0,0,0,1|1,0,1]=4 298 B12R0.69 CCC[C@H](C)NC(=O)C(=O)OCC WXVL_AK00682SB4144 [0,1,0,0,0,1|1,0,1]=4 299 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,1|2,0,0]=4 300 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,1|2,0,0]=4 301 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,1|0,0,2]=4 302 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,1,0,0,0,1|0,0,2]=4 303 B12R0.18 CCCC(=O)N[C@@H](CO)CC(C)C WXVL_AK0366SB0073 [0,2,0,0,0,0|2,0,0]=4 304 B12R0.18 CCCC(=O)N[C@@H](CO)CC(C)C WXVL_AK0366SB0073 [0,2,0,0,0,0|2,0,0]=4 305 B12R0.18 CCCC(=O)N[C@H](CO)CC(C)C WXVL_AK00511SB0073 [0,2,0,0,0,0|2,0,0]=4 306 B12R0.18 CCCC(=O)N[C@H](CO)CC(C)C WXVL_AK00511SB0073 [0,2,0,0,0,0|2,0,0]=4 307 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CC WXVL_AK00678SB3094 [0,2,0,0,0,0|0,0,2]=4 308 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CC WXVL_AK00678SB3094 [0,2,0,0,0,0|0,0,2]=4 309 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C WXVL_AK00476SB3346 [0,2,0,0,0,0|2,0,0]=4 310 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C WXVL_AK00476SB3346 [0,2,0,0,0,0|2,0,0]=4 311 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)C WXVL_AK2551SB0063 [0,2,0,0,0,0|2,0,0]=4 312 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)C WXVL_AK2551SB0063 [0,2,0,0,0,0|2,0,0]=4 313 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)O WXVL_AK2551SB3643 [0,2,0,0,0,0|2,0,0]=4 314 B12R0.297 CCC[C@@H](CO)NC(=O)CC(C)O WXVL_AK2551SB3643 [0,2,0,0,0,0|2,0,0]=4 315 B12R0.132 CCC[C@@H](CO)NC(=O)CCOC WXVL_AK2551SB0156 [0,2,0,0,0,0|2,0,0]=4 316 B12R0.132 CCC[C@@H](CO)NC(=O)CCOC WXVL_AK2551SB0156 [0,2,0,0,0,0|2,0,0]=4 317 B12R0.132 CCC[C@@H](CO)NC(=O)CCSC WXVL_AK2551SB0361 [0,2,0,0,0,0|2,0,0]=4 318 B12R0.132 CCC[C@@H](CO)NC(=O)CCSC WXVL_AK2551SB0361 [0,2,0,0,0,0|2,0,0]=4 319 B12R0.132 CCC[C@@H](CO)NC(=O)COCC WXVL_AK2551SB0091 [0,2,0,0,0,0|1,0,0]=3 320 B12R0.132 CCC[C@@H](CO)NC(=O)COCC WXVL_AK2551SB0091 [0,2,0,0,0,0|1,0,0]=3 321 B12R0.132 CCC[C@@H](CO)NC(=O)CSCC WXVL_AK2551SB0002 [0,2,0,0,0,0|1,1,0]=4 322 B12R0.132 CCC[C@@H](CO)NC(=O)CSCC WXVL_AK2551SB0002 [0,2,0,0,0,0|1,1,0]=4 323 B12R0.132 CCC[C@@H](CO)NC(=O)NCCCl WXVL_AK2551YV0092 [0,2,0,0,0,0|2,0,0]=4 324 B12R0.132 CCC[C@@H](CO)NC(=O)NCCCl WXVL_AK2551YV0092 [0,2,0,0,0,0|2,0,0]=4 325 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|0,0,2]=4 326 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|0,0,2]=4 327 B12R0.239 CCC[C@H](C)NC(=O)/C=C/OCC WXVL_AK00682SB3226 [0,2,0,0,0,0|2,0,0]=4 328 B12R0.239 CCC[C@H](C)NC(=O)/C=C/OCC WXVL_AK00682SB3226 [0,2,0,0,0,0|2,0,0]=4 329 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,2,0,0,0,0|0,0,2]=4 330 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,2,0,0,0,0|0,0,2]=4 331 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,2,0,0,0,0|0,0,2]=4 332 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,2,0,0,0,0|0,0,2]=4 333 B12R0.283 CCC[C@H](C)NC(=O)COC(C)C WXVL_AK00682SB0213 [0,2,0,0,0,0|2,0,0]=4 334 B12R0.283 CCC[C@H](C)NC(=O)COC(C)C WXVL_AK00682SB0213 [0,2,0,0,0,0|2,0,0]=4 335 B12R0.283 CCOC(=O)CC(=O)NCC(C)C WXVL_AK00544SB3094 [0,2,0,0,0,0|0,0,2]=4 336 B12R0.283 CCOC(=O)CC(=O)NCC(C)C WXVL_AK00544SB3094 [0,2,0,0,0,0|0,0,2]=4 337 B12R0.283 CCOC(=O)CC(=O)NCC(C)O WXVL_AK0052SB3094 [0,2,0,0,0,0|0,0,2]=4 338 B12R0.283 CCOC(=O)CC(=O)NCC(C)O WXVL_AK0052SB3094 [0,2,0,0,0,0|0,0,2]=4 339 B12R0.283 CCOC(=O)CC(=O)NC[C@H](C)O WXVL_AK0113SB3094 [0,2,0,0,0,0|0,0,2]=4 340 B12R0.283 CCOC(=O)CC(=O)NC[C@H](C)O WXVL_AK0113SB3094 [0,2,0,0,0,0|0,0,2]=4 341 B12R0.607 CCCC(=O)N[C@H](CO)CCSC WXVL_AK1021SB0073 [0,2,0,0,0,0|2,0,0]=4 342 B12R0.607 CCCC(=O)N[C@H](CO)CCSC WXVL_AK1021SB0073 [0,2,0,0,0,0|2,0,0]=4 343 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [0,2,0,0,0,0|2,0,0]=4 344 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [0,2,0,0,0,0|2,0,0]=4 345 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC WXVL_AK00504HU0462 [0,2,0,0,0,0|1,0,1]=4 346 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC WXVL_AK00504HU0462 [0,2,0,0,0,0|1,0,1]=4 347 B12R0.15 CCCC(=O)N[C@H](CO)[C@@H](C)CC WXVL_AK0788SB0073 [0,2,0,0,0,0|2,0,0]=4 348 B12R0.15 CCCC(=O)N[C@H](CO)[C@@H](C)CC WXVL_AK0788SB0073 [0,2,0,0,0,0|2,0,0]=4 349 B12R0.22 CCCC(=O)N[C@@H](CCC)CCO WXVL_AK00669SB0073 [0,2,0,0,0,0|2,0,0]=4 350 B12R0.22 CCCC(=O)N[C@@H](CCC)CCO WXVL_AK00669SB0073 [0,2,0,0,0,0|2,0,0]=4 351 B12R0.22 CCNC(=O)CC(OCC)OCC WXVL_AK00476SB3104 [0,2,0,0,0,0|2,0,0]=4 352 B12R0.22 CCNC(=O)CC(OCC)OCC WXVL_AK00476SB3104 [0,2,0,0,0,0|2,0,0]=4 353 B12R0.306 CCC[C@@H](CO)NC(=O)C(=O)CC WXVL_AK2551SB0344 [0,2,0,0,0,0|2,0,0]=4 354 B12R0.306 CCC[C@@H](CO)NC(=O)C(=O)CC WXVL_AK2551SB0344 [0,2,0,0,0,0|2,0,0]=4 355 B12R0.306 CCC[C@@H](CO)NC(=O)C(C)CC WXVL_AK2551SB0054 [0,2,0,0,0,0|2,0,0]=4 356 B12R0.306 CCC[C@@H](CO)NC(=O)C(C)CC WXVL_AK2551SB0054 [0,2,0,0,0,0|2,0,0]=4 357 B12R0.306 CCC[C@@H](CO)NC(=O)[C@@H](O)CC WXVL_AK2551SB3573 [0,2,0,0,0,0|2,0,0]=4 358 B12R0.306 CCC[C@@H](CO)NC(=O)[C@@H](O)CC WXVL_AK2551SB3573 [0,2,0,0,0,0|2,0,0]=4 359 B12R0.306 CCC[C@@H](CO)NC(=O)[C@H](C)CC WXVL_AK2551SB00054 [0,2,0,0,0,0|2,0,0]=4 360 B12R0.306 CCC[C@@H](CO)NC(=O)[C@H](C)CC WXVL_AK2551SB00054 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|2,0,0]=4 362 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|2,0,0]=4 363 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 364 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 365 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 366 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 367 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 368 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 369 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 370 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 371 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 372 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 373 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 374 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 375 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|2,0,0]=4 376 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|2,0,0]=4 377 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|2,0,0]=4 378 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|2,0,0]=4 379 B10R1.134 CCC(=O)NC(C)C1CC1 WXVL_AK00200SB0064 [1,0,0,1,0,0|2,0,0]=4 380 B10R1.134 CCC(=O)NC(C)C1CC1 WXVL_AK00200SB0064 [1,0,0,1,0,0|2,0,0]=4 381 B10R1.134 CCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0064 [1,0,0,1,0,0|2,0,0]=4 382 B10R1.134 CCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0064 [1,0,0,1,0,0|2,0,0]=4 383 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|2,0,0]=4 384 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|2,0,0]=4 385 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|2,0,0]=4 386 B10R1.150 CCC(=O)NC1CC(C1)C WXVL_AK0309SB0064 [1,0,0,1,0,0|2,0,0]=4 387 B10R1.150 CCC(=O)NC1CC(C1)C WXVL_AK0309SB0064 [1,0,0,1,0,0|2,0,0]=4 388 B10R1.429 CNC(=O)CC1(CCC1)O WXVL_AK00442SB0026 [1,0,0,1,0,0|1,0,0]=3 389 B10R1.429 CNC(=O)CC1(CCC1)O WXVL_AK00442SB0026 [1,0,0,1,0,0|1,0,0]=3 390 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,1,0|2,0,0]=4 391 B10R1.401 CCNC(=O)C1(CCC1)Br WXVL_AK00476SB0465 [0,0,0,1,1,0|2,0,0]=4 392 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,1,0|2,0,0]=4 393 B10R1.401 CCNC(=O)C1(CCC1)C WXVL_AK00476SB0805 [0,0,0,1,1,0|2,0,0]=4 394 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,1,0|2,0,0]=4 395 B10R1.401 CCNC(=O)C1(CCC1)F WXVL_AK00476SB0033 [0,0,0,1,1,0|2,0,0]=4 396 B12R1.17 C/C=C/C(=O)N1CCCC(C1)O WXVL_AN0622SB0340 [0,0,0,1,0,1|1,0,1]=4 397 B12R1.17 C/C=C/C(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0340 [0,0,0,1,0,1|1,0,1]=4 398 B12R1.17 CC#CC(=O)N1CCCC(C1)O WXVL_AN0622SB1240 [0,0,0,1,0,1|1,0,1]=4 399 B12R1.17 CC#CC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB1240 [0,0,0,1,0,1|1,0,1]=4 400 B12R1.17 CCCC(=O)N1CCCC(C1)Br WXVL_AN00704SB0073 [0,0,0,1,0,1|2,0,0]=4 401 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,0,0,1,0,1|2,0,0]=4 402 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,0,0,1,0,1|2,0,0]=4 403 B12R1.17 CCCC(=O)N1CCCC(C1)O WXVL_AN0622SB0073 [0,0,0,1,0,1|1,0,0]=3 404 B12R1.17 CCCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB0073 [0,0,0,1,0,1|2,0,0]=4 405 B12R1.17 CCCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0073 [0,0,0,1,0,1|1,0,0]=3 406 B12R1.17 CCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0073 [0,0,0,1,0,1|0,0,2]=4 407 B12R1.17 CCCC(=O)N1CCOC(C1)O WXVL_AN00776SB0073 [0,0,0,1,0,1|2,0,0]=4 408 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,0,0,1,0,1|2,0,0]=4 409 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,0,0,1,0,1|2,0,0]=4 410 B12R1.17 COCC(=O)N1CCCC(C1)O WXVL_AN0622SB0090 [0,0,0,1,0,1|2,0,0]=4 411 B12R1.17 COCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0090 [0,0,0,1,0,1|2,0,0]=4 412 B12R1.17 CSCC(=O)N1CCCC(C1)O WXVL_AN0622SB1267 [0,0,0,1,0,1|2,0,0]=4 413 B12R1.17 CSCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB1267 [0,0,0,1,0,1|2,0,0]=4 414 B12R1.51 C/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0340 [0,0,0,1,0,1|1,0,1]=4 415 B12R1.51 C/C=C/C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0340 [0,0,0,1,0,1|1,0,1]=4 416 B12R1.51 CC#CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1240 [0,0,0,1,0,1|1,0,1]=4 417 B12R1.51 CC#CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1240 [0,0,0,1,0,1|1,0,1]=4 418 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,1|2,0,0]=4 419 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,1|2,0,0]=4 420 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,1|1,0,0]=3 421 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,0,0,1,0,1|1,0,0]=3 422 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,1|2,0,0]=4 423 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,1|2,0,0]=4 424 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,1|2,0,0]=4 425 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,1|2,0,0]=4 426 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,0,0,1,0,1|2,0,0]=4 427 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,0,0,1,0,1|2,0,0]=4 428 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,0,0,1,0,1|2,0,0]=4 429 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,0,0,1,0,1|2,0,0]=4 430 B12R1.313 C/C=C/C(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0340 [0,0,0,1,0,1|1,0,1]=4 431 B12R1.313 CC#CC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB1240 [0,0,0,1,0,1|1,0,1]=4 432 B12R1.313 CCCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0073 [0,0,0,1,0,1|1,0,0]=3 433 B12R1.313 COCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0090 [0,0,0,1,0,1|2,0,0]=4 434 B12R1.313 CSCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB1267 [0,0,0,1,0,1|2,0,0]=4 435 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0073 [0,0,0,1,0,1|2,0,0]=4 436 B12R1.318 CCCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0073 [0,0,0,1,0,1|2,0,0]=4 437 B12R1.1573 C/C=C/C(=O)NCC1(CCC1)O WXVL_AK2855SB0340 [0,0,0,1,0,1|1,0,1]=4 438 B12R1.1573 C/C=C/C(=O)NCC1(CCC1)O WXVL_AK2855SB0340 [0,0,0,1,0,1|1,0,1]=4 439 B12R1.1573 CC#CC(=O)NCC1(CCC1)O WXVL_AK2855SB1240 [0,0,0,1,0,1|1,0,1]=4 440 B12R1.1573 CC#CC(=O)NCC1(CCC1)O WXVL_AK2855SB1240 [0,0,0,1,0,1|1,0,1]=4 441 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,0,0,1,0,1|2,0,0]=4 442 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,0,0,1,0,1|2,0,0]=4 443 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,0,0,1,0,1|2,0,0]=4 444 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,0,0,1,0,1|2,0,0]=4 445 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,0,0,1,0,1|1,0,0]=3 446 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,0,0,1,0,1|1,0,0]=3 447 B12R1.1573 CCCC(=O)NCC1(COC1)O WXVL_AK1349SB0073 [0,0,0,1,0,1|2,0,0]=4 448 B12R1.1573 CCCC(=O)NCC1(COC1)O WXVL_AK1349SB0073 [0,0,0,1,0,1|2,0,0]=4 449 B12R1.1573 COCC(=O)NCC1(CCC1)O WXVL_AK2855SB0090 [0,0,0,1,0,1|2,0,0]=4 450 B12R1.1573 COCC(=O)NCC1(CCC1)O WXVL_AK2855SB0090 [0,0,0,1,0,1|2,0,0]=4 451 B12R1.1573 CSCC(=O)NCC1(CCC1)O WXVL_AK2855SB1267 [0,0,0,1,0,1|2,0,0]=4 452 B12R1.1573 CSCC(=O)NCC1(CCC1)O WXVL_AK2855SB1267 [0,0,0,1,0,1|2,0,0]=4 453 B12R1.144 CC(C)NC(=O)C1CCCC1C WXVL_AK0030SB0904 [0,1,0,1,0,0|2,0,0]=4 454 B12R1.144 CC(C)NC(=O)C1CCCC1C WXVL_AK0030SB0904 [0,1,0,1,0,0|2,0,0]=4 455 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,1,0,0|2,0,0]=4 456 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,1,0,0|2,0,0]=4 457 B12R1.521 CCOC(=O)CC(=O)NC1CC1 WXVL_AK0001SB3094 [0,1,0,1,0,0|0,0,2]=4 458 B12R1.521 CCOC(=O)CC(=O)NC1CC1 WXVL_AK0001SB3094 [0,1,0,1,0,0|0,0,2]=4 459 B12R1.2686 CC(C)NC(=O)CC1(CCC1)O WXVL_AK0030SB0026 [0,1,0,1,0,0|1,0,0]=3 460 B12R1.2686 CC(C)NC(=O)CC1(CCC1)O WXVL_AK0030SB0026 [0,1,0,1,0,0|1,0,0]=3 461 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|2,0,0]=4 462 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|2,0,0]=4 463 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|1,0,0]=3 464 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|1,0,0]=3 465 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|2,0,0]=4 466 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|2,0,0]=4 467 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,1,0,1,0,0|1,0,0]=3 468 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,1,0,1,0,0|1,0,0]=3 469 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|2,0,0]=4 470 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|2,0,0]=4 471 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|2,0,0]=4 472 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|2,0,0]=4 473 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|2,0,0]=4 474 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|2,0,0]=4 475 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|2,0,0]=4 476 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|2,0,0]=4 477 B12R1.460 CCOCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0091 [0,1,0,1,0,0|2,0,0]=4 478 B12R1.462 CCOCC(=O)NC1CC(C1)C WXVL_AK0309SB0091 [0,1,0,1,0,0|2,0,0]=4 479 B12R1.462 CCOCC(=O)NC1CC(C1)C WXVL_AK0309SB0091 [0,1,0,1,0,0|2,0,0]=4 480 B12R1.841 CCOCC(=O)NC(C)C1CC1 WXVL_AK00200SB0091 [0,1,0,1,0,0|2,0,0]=4 481 B12R1.841 CCOCC(=O)NC(C)C1CC1 WXVL_AK00200SB0091 [0,1,0,1,0,0|2,0,0]=4 482 B12R1.841 CCOCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0091 [0,1,0,1,0,0|2,0,0]=4 483 B12R1.841 CCOCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0091 [0,1,0,1,0,0|2,0,0]=4 484 B12R1.2044 C=CCNC(=O)CC1(CCC1)O WXVL_AK00561SB0026 [0,1,0,1,0,0|1,0,1]=4 485 B12R1.2044 C=CCNC(=O)CC1(CCC1)O WXVL_AK00561SB0026 [0,1,0,1,0,0|1,0,1]=4 486 B12R1.2044 CCCNC(=O)CC1(CCC1)O WXVL_AK00504SB0026 [0,1,0,1,0,0|1,0,0]=3 487 B12R1.2044 CCCNC(=O)CC1(CCC1)O WXVL_AK00504SB0026 [0,1,0,1,0,0|1,0,0]=3 488 B12R1.2044 N#CCNC(=O)CC1(CCC1)O WXVL_AK0683SB0026 [0,1,0,1,0,0|1,0,1]=4 489 B12R1.2044 N#CCNC(=O)CC1(CCC1)O WXVL_AK0683SB0026 [0,1,0,1,0,0|1,0,1]=4 490 B12R1.2044 O=C(CC1(CCC1)O)NCCF WXVL_AK00466SB0026 [0,1,0,1,0,0|1,0,0]=3 491 B12R1.2044 O=C(CC1(CCC1)O)NCCF WXVL_AK00466SB0026 [0,1,0,1,0,0|1,0,0]=3 492 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,1,0,1,0,0|2,0,0]=4 493 B12R1.1423 CCC[C@@H](CO)NC(=O)C1CC1 WXVL_AK2551SB0038 [0,1,0,1,0,0|2,0,0]=4 494 B12R1.1423 CCC[C@@H](CO)NC(=O)C1CC1 WXVL_AK2551SB0038 [0,1,0,1,0,0|2,0,0]=4 495 B12R1.2046 CCCC(=O)N[C@H](CO)C1CC1 WXVL_AK00781SB0073 [0,1,0,1,0,0|2,0,0]=4 496 B12R1.2046 CCCC(=O)N[C@H](CO)C1CC1 WXVL_AK00781SB0073 [0,1,0,1,0,0|2,0,0]=4 497 B12R1.2053 CCNC(=O)CC1(CCC1)OC WXVL_AK00476SB0032 [0,1,0,1,0,0|1,0,0]=3 498 B12R1.2053 CCNC(=O)CC1(CCC1)OC WXVL_AK00476SB0032 [0,1,0,1,0,0|1,0,0]=3 499 B12R2.3412 CCNC(=O)C1CC1C2CC2 WXVL_AK00476SB3548 [0,0,0,2,0,0|2,0,0]=4 500 B12R2.3412 CCNC(=O)C1CC1C2CC2 WXVL_AK00476SB3548 [0,0,0,2,0,0|2,0,0]=4 501 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,1,0|2,0,0]=4 502 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [1,0,0,0,1,0|2,0,0]=4 503 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,1,0|1,0,0]=3 504 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [1,0,0,0,1,0|1,0,0]=3 505 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,1,0|2,0,0]=4 506 B8R0.3 CCNC(=O)C(C)CC WXVL_AK00476SB0054 [1,0,0,0,1,0|2,0,0]=4 507 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,1,0|1,0,0]=3 508 B8R0.3 CCNC(=O)[C@@H](O)CC WXVL_AK00476SB3573 [1,0,0,0,1,0|1,0,0]=3 509 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,1,0|2,0,0]=4 510 B8R0.3 CCNC(=O)[C@H](C)CC WXVL_AK00476SB00054 [1,0,0,0,1,0|2,0,0]=4 511 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,0,0,0,0,2|0,0,2]=4 512 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,0,0,0,0,2|0,0,2]=4