0 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,0,0,0,0,0|2,0,1]=3 4 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,0,0,0,0,0|3,0,1]=4 5 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,0,0,0,0,0|3,0,1]=4 6 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,0,0,0,0,0|2,0,1]=3 9 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,0,0,0,0,0|2,0,1]=3 10 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,0,0,0,0,0|3,0,1]=4 11 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,0,0,0,0,0|3,0,1]=4 12 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,0,0,0,0,0|1,0,0]=1 13 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,0,0,0,0,0|1,0,0]=1 14 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,0,0,0,0,0|3,0,1]=4 15 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,0,0,0,0,0|3,0,1]=4 16 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,0,0,0,0,0|2,0,0]=2 17 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,0,0,0,0,0|2,0,0]=2 18 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,0,0,0,0,0|3,0,0]=3 19 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,0,0,0,0,0|3,0,0]=3 20 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,0,0,0,0,0|3,0,0]=3 21 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,0,0,0,0,0|3,0,0]=3 22 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,0,0,0,0,0|2,0,0]=2 23 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,0,0,0,0,0|2,0,0]=2 24 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,0,0,0,0,0|3,0,0]=3 25 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,0,0,0,0,0|3,0,0]=3 26 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,0,0,0,0,0|4,0,0]=4 27 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,0,0,0,0,0|4,0,0]=4 28 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,0,0,0,0,0|4,0,0]=4 29 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [1,0,0,0,0,0|3,0,0]=4 31 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [1,0,0,0,0,0|3,0,0]=4 32 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,0,0,0,0,0|1,0,0]=2 33 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,0,0,0,0,0|1,0,0]=2 34 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [1,0,0,0,0,0|3,0,0]=4 35 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [1,0,0,0,0,0|3,0,0]=4 36 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [1,0,0,0,0,0|2,0,0]=3 37 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [1,0,0,0,0,0|2,0,0]=3 38 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,0,0,0,0,0|2,0,0]=3 39 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,0,0,0,0,0|2,0,0]=3 40 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [1,0,0,0,0,0|1,0,2]=4 41 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [1,0,0,0,0,0|1,0,2]=4 42 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,0,0,0,0|1,0,0]=2 43 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,0,0,0,0|1,0,0]=2 44 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,0,0,0,0|1,0,0]=2 45 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,0,0,0,0|1,0,0]=2 46 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,0,0,0,0,0|2,0,0]=3 47 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,0,0,0,0,0|2,0,0]=3 48 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [1,0,0,0,0,0|2,0,0]=3 49 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [1,0,0,0,0,0|2,0,0]=3 50 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [1,0,0,0,0,0|2,0,0]=3 51 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [1,0,0,0,0,0|2,0,0]=3 52 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [1,0,0,0,0,0|3,0,0]=4 53 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [1,0,0,0,0,0|3,0,0]=4 54 B14R0.32 CCNC(=O)CCCCCCC(=O)OC WXVL_AK00476SB3124 [0,1,0,0,0,0|2,0,1]=4 55 B14R0.32 CCNC(=O)CCCCCCC(=O)OC WXVL_AK00476SB3124 [0,1,0,0,0,0|2,0,1]=4 56 B14R0.32 CCOC(=O)CCCCCNC(=O)NC WXVL_AK00442YV0146 [0,1,0,0,0,0|2,0,1]=4 57 B14R0.32 CCOC(=O)CCCCCNC(=O)NC WXVL_AK00442YV0146 [0,1,0,0,0,0|2,0,1]=4 58 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,1,0,0,0,0|1,0,0]=2 59 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,1,0,0,0,0|1,0,0]=2 60 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,1,0,0,0,0|1,0,1]=3 61 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,1,0,0,0,0|1,0,1]=3 62 B14R0.73 CCOC(=O)CC(=O)NCCCCCO WXVL_AK0077SB3094 [0,1,0,0,0,0|2,0,1]=4 63 B14R0.73 CCOC(=O)CC(=O)NCCCCCO WXVL_AK0077SB3094 [0,1,0,0,0,0|2,0,1]=4 64 B14R0.73 CCOCCCNC(=O)CC(=O)OCC WXVL_AK0072SB3094 [0,1,0,0,0,0|2,0,1]=4 65 B14R0.73 CCOCCCNC(=O)CC(=O)OCC WXVL_AK0072SB3094 [0,1,0,0,0,0|2,0,1]=4 66 B14R0.83 CCCCOCCNC(=O)C(=O)OCC WXVL_AK9674SB4144 [0,1,0,0,0,0|2,0,1]=4 67 B14R0.83 CCCCOCCNC(=O)C(=O)OCC WXVL_AK9674SB4144 [0,1,0,0,0,0|2,0,1]=4 68 B14R0.83 CCOC(=O)C(=O)NCCCCCCO WXVL_AK0751SB4144 [0,1,0,0,0,0|2,0,1]=4 69 B14R0.83 CCOC(=O)C(=O)NCCCCCCO WXVL_AK0751SB4144 [0,1,0,0,0,0|2,0,1]=4 70 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC WXVL_AK1818SB0343 [0,1,0,0,0,0|2,0,1]=4 71 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC WXVL_AK1818SB0343 [0,1,0,0,0,0|2,0,1]=4 72 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,1,0,0,0,0|2,0,0]=3 73 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,1,0,0,0,0|2,0,0]=3 74 B14R0.181 CCCCCCCCNC(=O)C(C)CC WXVL_AK1818SB0054 [0,1,0,0,0,0|2,0,0]=3 75 B14R0.181 CCCCCCCCNC(=O)C(C)CC WXVL_AK1818SB0054 [0,1,0,0,0,0|2,0,0]=3 76 B14R0.181 CCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1818SB2926 [0,1,0,0,0,0|3,0,0]=4 77 B14R0.181 CCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1818SB2926 [0,1,0,0,0,0|3,0,0]=4 78 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1818SB3573 [0,1,0,0,0,0|2,0,0]=3 79 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1818SB3573 [0,1,0,0,0,0|2,0,0]=3 80 B14R0.181 CCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1818SB00054 [0,1,0,0,0,0|2,0,0]=3 81 B14R0.181 CCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1818SB00054 [0,1,0,0,0,0|2,0,0]=3 82 B14R0.181 CCCCOCCCNC(=O)C(=O)CC WXVL_AK2310SB0344 [0,1,0,0,0,0|3,0,0]=4 83 B14R0.181 CCCCOCCCNC(=O)C(=O)CC WXVL_AK2310SB0344 [0,1,0,0,0,0|3,0,0]=4 84 B14R0.181 CCCCOCCCNC(=O)C(C)CC WXVL_AK2310SB0054 [0,1,0,0,0,0|3,0,0]=4 85 B14R0.181 CCCCOCCCNC(=O)C(C)CC WXVL_AK2310SB0054 [0,1,0,0,0,0|3,0,0]=4 86 B14R0.181 CCCCOCCCNC(=O)[C@@H](O)CC WXVL_AK2310SB3573 [0,1,0,0,0,0|3,0,0]=4 87 B14R0.181 CCCCOCCCNC(=O)[C@@H](O)CC WXVL_AK2310SB3573 [0,1,0,0,0,0|3,0,0]=4 88 B14R0.181 CCCCOCCCNC(=O)[C@H](C)CC WXVL_AK2310SB00054 [0,1,0,0,0,0|3,0,0]=4 89 B14R0.181 CCCCOCCCNC(=O)[C@H](C)CC WXVL_AK2310SB00054 [0,1,0,0,0,0|3,0,0]=4 90 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,1,0,0,0,0|2,0,1]=4 91 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,1,0,0,0,0|2,0,1]=4 92 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [0,1,0,0,0,0|1,0,0]=2 93 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [0,1,0,0,0,0|1,0,0]=2 94 B14R0.391 CCCCCCCCNC(=O)C=C(C)C WXVL_AK1818SB0342 [0,1,0,0,0,0|2,0,1]=4 95 B14R0.391 CCCCCCCCNC(=O)C=C(C)C WXVL_AK1818SB0342 [0,1,0,0,0,0|2,0,1]=4 96 B14R0.391 CCCCCCCCNC(=O)CC(C)C WXVL_AK1818SB0063 [0,1,0,0,0,0|2,0,0]=3 97 B14R0.391 CCCCCCCCNC(=O)CC(C)C WXVL_AK1818SB0063 [0,1,0,0,0,0|2,0,0]=3 98 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [0,1,0,0,0,0|2,0,0]=3 99 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [0,1,0,0,0,0|2,0,0]=3 100 B14R0.391 CCCCCCCCNC(=O)CN(C)C WXVL_AK1818SB0085 [0,1,0,0,0,0|3,0,0]=4 101 B14R0.391 CCCCCCCCNC(=O)CN(C)C WXVL_AK1818SB0085 [0,1,0,0,0,0|3,0,0]=4 102 B14R0.391 CCCCCCCCNC(=O)NC(C)C WXVL_AK0030YV0182 [0,1,0,0,0,0|2,0,0]=3 103 B14R0.391 CCCCCCCCNC(=O)NC(C)C WXVL_AK0030YV0182 [0,1,0,0,0,0|2,0,0]=3 104 B14R0.391 CCCCOCCCNC(=O)CC(C)C WXVL_AK2310SB0063 [0,1,0,0,0,0|3,0,0]=4 105 B14R0.391 CCCCOCCCNC(=O)CC(C)C WXVL_AK2310SB0063 [0,1,0,0,0,0|3,0,0]=4 106 B14R0.391 CCCCOCCCNC(=O)CC(C)O WXVL_AK2310SB3643 [0,1,0,0,0,0|3,0,0]=4 107 B14R0.391 CCCCOCCCNC(=O)CC(C)O WXVL_AK2310SB3643 [0,1,0,0,0,0|3,0,0]=4 108 B14R0.393 C#CCC(=O)NCCCCCCCCC WXVL_AK1826SB3070 [0,1,0,0,0,0|1,0,2]=4 109 B14R0.393 C#CCC(=O)NCCCCCCCCC WXVL_AK1826SB3070 [0,1,0,0,0,0|1,0,2]=4 110 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,1,0,0,0,0|1,0,1]=3 111 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,1,0,0,0,0|1,0,1]=3 112 B14R0.393 C/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB0340 [0,1,0,0,0,0|2,0,1]=4 113 B14R0.393 C/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB0340 [0,1,0,0,0,0|2,0,1]=4 114 B14R0.393 C=CCC(=O)NCCCCCCCCC WXVL_AK1826SB2732 [0,1,0,0,0,0|1,0,2]=4 115 B14R0.393 C=CCC(=O)NCCCCCCCCC WXVL_AK1826SB2732 [0,1,0,0,0,0|1,0,2]=4 116 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,1,0,0,0,0|1,0,1]=3 117 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,1,0,0,0,0|1,0,1]=3 118 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,1,0,0,0,0|1,0,1]=3 119 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,1,0,0,0,0|1,0,1]=3 120 B14R0.393 CC#CC(=O)NCCCCCCCCO WXVL_AK4142SB1240 [0,1,0,0,0,0|2,0,1]=4 121 B14R0.393 CC#CC(=O)NCCCCCCCCO WXVL_AK4142SB1240 [0,1,0,0,0,0|2,0,1]=4 122 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,1,0,0,0,0|2,0,0]=3 123 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,1,0,0,0,0|2,0,0]=3 124 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,0,0,0,0|1,0,0]=2 125 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,0,0,0,0|1,0,0]=2 126 B14R0.393 CCCCCCCCCNC(=O)CC#N WXVL_AK1826SB0057 [0,1,0,0,0,0|2,0,1]=4 127 B14R0.393 CCCCCCCCCNC(=O)CC#N WXVL_AK1826SB0057 [0,1,0,0,0,0|2,0,1]=4 128 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,1,0,0,0,0|1,0,0]=2 129 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,1,0,0,0,0|1,0,0]=2 130 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,1,0,0,0,0|2,0,0]=3 131 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,1,0,0,0,0|2,0,0]=3 132 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,1,0,0,0,0|2,0,0]=3 133 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,1,0,0,0,0|2,0,0]=3 134 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,1,0,0,0,0|3,0,0]=4 135 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,1,0,0,0,0|3,0,0]=4 136 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,1,0,0,0,0|3,0,0]=4 137 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,1,0,0,0,0|3,0,0]=4 138 B14R0.493 C#CCCC(=O)NCCCCCCCC WXVL_AK1818SB2189 [0,1,0,0,0,0|2,0,1]=4 139 B14R0.493 C#CCCC(=O)NCCCCCCCC WXVL_AK1818SB2189 [0,1,0,0,0,0|2,0,1]=4 140 B14R0.493 C=CCCC(=O)NCCCCCCCC WXVL_AK1818SB1035 [0,1,0,0,0,0|2,0,1]=4 141 B14R0.493 C=CCCC(=O)NCCCCCCCC WXVL_AK1818SB1035 [0,1,0,0,0,0|2,0,1]=4 142 B14R0.493 C=CCNC(=O)CCCCCCCCC WXVL_AK00561SB0447 [0,1,0,0,0,0|1,0,1]=3 143 B14R0.493 C=CCNC(=O)CCCCCCCCC WXVL_AK00561SB0447 [0,1,0,0,0,0|1,0,1]=3 144 B14R0.493 C=CCNC(=O)NCCCCCCCC WXVL_AK00561YV0182 [0,1,0,0,0,0|2,0,1]=4 145 B14R0.493 C=CCNC(=O)NCCCCCCCC WXVL_AK00561YV0182 [0,1,0,0,0,0|2,0,1]=4 146 B14R0.493 CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0447 [0,1,0,0,0,0|1,0,1]=3 147 B14R0.493 CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0447 [0,1,0,0,0,0|1,0,1]=3 148 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,1,0,0,0,0|1,0,0]=2 149 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [0,1,0,0,0,0|1,0,0]=2 150 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,1,0,0,0,0|1,0,0]=2 151 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [0,1,0,0,0,0|1,0,0]=2 152 B14R0.493 CCCCCCCCNC(=O)/C=C/CBr WXVL_AK1818SB0424 [0,1,0,0,0,0|2,0,1]=4 153 B14R0.493 CCCCCCCCNC(=O)/C=C/CBr WXVL_AK1818SB0424 [0,1,0,0,0,0|2,0,1]=4 154 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [0,1,0,0,0,0|2,0,0]=3 155 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [0,1,0,0,0,0|2,0,0]=3 156 B14R0.493 CCCCCCCCNC(=O)CCSC WXVL_AK1818SB0361 [0,1,0,0,0,0|2,0,0]=3 157 B14R0.493 CCCCCCCCNC(=O)CCSC WXVL_AK1818SB0361 [0,1,0,0,0,0|2,0,0]=3 158 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,1,0,0,0,0|1,0,0]=2 159 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [0,1,0,0,0,0|1,0,0]=2 160 B14R0.493 CCCCCCCCNC(=O)CSCC WXVL_AK1818SB0002 [0,1,0,0,0,0|1,1,0]=3 161 B14R0.493 CCCCCCCCNC(=O)CSCC WXVL_AK1818SB0002 [0,1,0,0,0,0|1,1,0]=3 162 B14R0.493 CCCCCCCCNC(=O)NCC#N WXVL_AK0683YV0182 [0,1,0,0,0,0|2,0,1]=4 163 B14R0.493 CCCCCCCCNC(=O)NCC#N WXVL_AK0683YV0182 [0,1,0,0,0,0|2,0,1]=4 164 B14R0.493 CCCCCCCCNC(=O)NCCC WXVL_AK00504YV0182 [0,1,0,0,0,0|2,0,0]=3 165 B14R0.493 CCCCCCCCNC(=O)NCCC WXVL_AK00504YV0182 [0,1,0,0,0,0|2,0,0]=3 166 B14R0.493 CCCCCCCCNC(=O)NCCCl WXVL_AK1818YV0092 [0,1,0,0,0,0|2,0,0]=3 167 B14R0.493 CCCCCCCCNC(=O)NCCCl WXVL_AK1818YV0092 [0,1,0,0,0,0|2,0,0]=3 168 B14R0.493 CCCCCCCCNC(=O)NCCF WXVL_AK00466YV0182 [0,1,0,0,0,0|2,0,0]=3 169 B14R0.493 CCCCCCCCNC(=O)NCCF WXVL_AK00466YV0182 [0,1,0,0,0,0|2,0,0]=3 170 B14R0.493 CCCCOCCCNC(=O)CCOC WXVL_AK2310SB0156 [0,1,0,0,0,0|3,0,0]=4 171 B14R0.493 CCCCOCCCNC(=O)CCOC WXVL_AK2310SB0156 [0,1,0,0,0,0|3,0,0]=4 172 B14R0.493 CCCCOCCCNC(=O)CCSC WXVL_AK2310SB0361 [0,1,0,0,0,0|3,0,0]=4 173 B14R0.493 CCCCOCCCNC(=O)CCSC WXVL_AK2310SB0361 [0,1,0,0,0,0|3,0,0]=4 174 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [0,1,0,0,0,0|2,0,0]=3 175 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [0,1,0,0,0,0|2,0,0]=3 176 B14R0.493 CCCCOCCCNC(=O)CSCC WXVL_AK2310SB0002 [0,1,0,0,0,0|2,1,0]=4 177 B14R0.493 CCCCOCCCNC(=O)CSCC WXVL_AK2310SB0002 [0,1,0,0,0,0|2,1,0]=4 178 B14R0.493 CCCCOCCCNC(=O)NCCCl WXVL_AK2310YV0092 [0,1,0,0,0,0|3,0,0]=4 179 B14R0.493 CCCCOCCCNC(=O)NCCCl WXVL_AK2310YV0092 [0,1,0,0,0,0|3,0,0]=4 180 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC WXVL_AK1818HU0030 [0,1,0,0,0,0|3,0,0]=4 181 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC WXVL_AK1818HU0030 [0,1,0,0,0,0|3,0,0]=4 182 B14R0.2432 CCOC(=O)CCNC(=O)CCCCBr WXVL_AK0465SB3153 [0,1,0,0,0,0|2,0,1]=4 183 B14R0.2432 CCOC(=O)CCNC(=O)CCCCBr WXVL_AK0465SB3153 [0,1,0,0,0,0|2,0,1]=4 184 B14R0.2432 CCOC(=O)CCNC(=O)CCCCCl WXVL_AK0465SB0379 [0,1,0,0,0,0|2,0,1]=4 185 B14R0.2432 CCOC(=O)CCNC(=O)CCCCCl WXVL_AK0465SB0379 [0,1,0,0,0,0|2,0,1]=4 186 B14R1.263 CCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0073 [0,0,0,1,0,0|3,0,0]=4 187 B14R1.263 CCCC(=O)N1CCCCC1COC WXVL_AN0507SB0073 [0,0,0,1,0,0|3,0,0]=4 188 B14R1.263 CCCC(=O)N1CCCCC1COC WXVL_AN0507SB0073 [0,0,0,1,0,0|3,0,0]=4 189 B14R1.263 CCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0073 [0,0,0,1,0,0|3,0,0]=4 190 B14R1.520 C/C=C/C(=O)NCCC1CCCCC1 WXVL_AK1287SB0340 [0,0,0,1,0,0|2,0,1]=4 191 B14R1.520 C/C=C/C(=O)NCCC1CCCCC1 WXVL_AK1287SB0340 [0,0,0,1,0,0|2,0,1]=4 192 B14R1.520 CC#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB1240 [0,0,0,1,0,0|2,0,1]=4 193 B14R1.520 CC#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB1240 [0,0,0,1,0,0|2,0,1]=4 194 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [0,0,0,1,0,0|2,0,0]=3 195 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [0,0,0,1,0,0|2,0,0]=3 196 B14R1.520 CCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0073 [0,0,0,1,0,0|3,0,0]=4 197 B14R1.520 CCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0073 [0,0,0,1,0,0|3,0,0]=4 198 B14R1.520 CCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0073 [0,0,0,1,0,0|3,0,0]=4 199 B14R1.520 CCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0073 [0,0,0,1,0,0|3,0,0]=4 200 B14R1.520 COCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0090 [0,0,0,1,0,0|3,0,0]=4 201 B14R1.520 COCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0090 [0,0,0,1,0,0|3,0,0]=4 202 B14R1.520 CSCC(=O)NCCC1CCCCC1 WXVL_AK1287SB1267 [0,0,0,1,0,0|3,0,0]=4 203 B14R1.520 CSCC(=O)NCCC1CCCCC1 WXVL_AK1287SB1267 [0,0,0,1,0,0|3,0,0]=4 204 B14R1.609 CCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0073 [0,0,0,1,0,0|3,0,0]=4 205 B14R1.609 CCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0073 [0,0,0,1,0,0|3,0,0]=4 206 B14R1.609 CCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0073 [0,0,0,1,0,0|3,0,0]=4 207 B14R1.609 CCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0073 [0,0,0,1,0,0|3,0,0]=4 208 B14R1.609 CCNC(=O)CCCCC1CCSS1 WXVL_AK00476SB1230 [0,0,0,1,0,0|3,0,0]=4 209 B14R1.609 CCNC(=O)CCCCC1CCSS1 WXVL_AK00476SB1230 [0,0,0,1,0,0|3,0,0]=4 210 B14R1.635 C/C=C/C(=O)N1CCCC1CCCC WXVL_AN00739SB0340 [0,0,0,1,0,0|2,0,1]=4 211 B14R1.635 CC#CC(=O)N1CCCC1CCCC WXVL_AN00739SB1240 [0,0,0,1,0,0|2,0,1]=4 212 B14R1.635 CCCCC1CCCN1C(=O)CCC WXVL_AN00739SB0073 [0,0,0,1,0,0|2,0,0]=3 213 B14R1.635 CCCCC1CCCN1C(=O)COC WXVL_AN00739SB0090 [0,0,0,1,0,0|3,0,0]=4 214 B14R1.635 CCCCC1CCCN1C(=O)CSC WXVL_AN00739SB1267 [0,0,0,1,0,0|3,0,0]=4 215 B14R1.948 CCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0073 [0,0,0,1,0,0|3,0,0]=4 216 B14R1.948 CCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0073 [0,0,0,1,0,0|3,0,0]=4 217 B14R1.6816 CCCCCCCCNC(=O)C1CC1 WXVL_AK1818SB0038 [0,0,0,1,0,0|2,0,0]=3 218 B14R1.6816 CCCCCCCCNC(=O)C1CC1 WXVL_AK1818SB0038 [0,0,0,1,0,0|2,0,0]=3 219 B14R1.6816 CCCCOCCCNC(=O)C1CC1 WXVL_AK2310SB0038 [0,0,0,1,0,0|3,0,0]=4 220 B14R1.6816 CCCCOCCCNC(=O)C1CC1 WXVL_AK2310SB0038 [0,0,0,1,0,0|3,0,0]=4 221 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [2,0,0,0,0,0|1,0,0]=3 222 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [2,0,0,0,0,0|1,0,0]=3 223 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [2,0,0,0,0,0|2,0,0]=4 224 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [2,0,0,0,0,0|2,0,0]=4 225 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [2,0,0,0,0,0|2,0,0]=4 226 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [2,0,0,0,0,0|2,0,0]=4 227 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [2,0,0,0,0,0|2,0,0]=4 228 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [2,0,0,0,0,0|2,0,0]=4 229 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [2,0,0,0,0,0|1,0,0]=3 230 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [2,0,0,0,0,0|1,0,0]=3 231 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [2,0,0,0,0,0|2,0,0]=4 232 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [2,0,0,0,0,0|2,0,0]=4 233 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [2,0,0,0,0,0|2,0,0]=4 234 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [2,0,0,0,0,0|2,0,0]=4 235 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [2,0,0,0,0,0|2,0,0]=4 236 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [2,0,0,0,0,0|2,0,0]=4 237 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [2,0,0,0,0,0|1,0,0]=3 238 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [2,0,0,0,0,0|1,0,0]=3 239 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [2,0,0,0,0,0|1,0,0]=3 240 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [2,0,0,0,0,0|1,0,0]=3 241 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [2,0,0,0,0,0|2,0,0]=4 242 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [2,0,0,0,0,0|2,0,0]=4 243 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [1,1,0,0,0,0|1,0,1]=4 244 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [1,1,0,0,0,0|1,0,1]=4 245 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [1,1,0,0,0,0|1,0,1]=4 246 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [1,1,0,0,0,0|1,0,1]=4 247 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [1,1,0,0,0,0|1,0,0]=3 248 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [1,1,0,0,0,0|1,0,0]=3 249 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [1,1,0,0,0,0|1,0,0]=3 250 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [1,1,0,0,0,0|1,0,0]=3 251 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [1,1,0,0,0,0|2,0,0]=4 252 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [1,1,0,0,0,0|2,0,0]=4 253 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [1,1,0,0,0,0|2,0,0]=4 254 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [1,1,0,0,0,0|2,0,0]=4 255 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [1,1,0,0,0,0|2,0,0]=4 256 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [1,1,0,0,0,0|2,0,0]=4 257 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [1,1,0,0,0,0|2,0,0]=4 258 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [1,1,0,0,0,0|2,0,0]=4 259 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [1,1,0,0,0,0|2,0,0]=4 260 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [1,1,0,0,0,0|2,0,0]=4 261 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [1,1,0,0,0,0|2,0,0]=4 262 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [1,1,0,0,0,0|2,0,0]=4 263 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [1,1,0,0,0,0|1,0,1]=4 264 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [1,1,0,0,0,0|1,0,1]=4 265 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [1,1,0,0,0,0|1,0,1]=4 266 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [1,1,0,0,0,0|1,0,1]=4 267 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [1,1,0,0,0,0|2,0,0]=4 268 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [1,1,0,0,0,0|2,0,0]=4 269 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [1,1,0,0,0,0|2,0,0]=4 270 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [1,1,0,0,0,0|2,0,0]=4 271 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [1,1,0,0,0,0|1,0,0]=3 272 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [1,1,0,0,0,0|1,0,0]=3 273 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [1,1,0,0,0,0|2,0,0]=4 274 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [1,1,0,0,0,0|2,0,0]=4 275 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [1,1,0,0,0,0|2,0,0]=4 276 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [1,1,0,0,0,0|2,0,0]=4 277 B13R0.113 CCCNC(=O)CCCCC(=O)OC WXVL_AK00504SB1209 [1,1,0,0,0,0|1,0,1]=4 278 B13R0.113 CCCNC(=O)CCCCC(=O)OC WXVL_AK00504SB1209 [1,1,0,0,0,0|1,0,1]=4 279 B13R0.150 CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0447 [1,1,0,0,0,0|1,0,0]=3 280 B13R0.150 CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0447 [1,1,0,0,0,0|1,0,0]=3 281 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [1,1,0,0,0,0|1,0,1]=4 282 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [1,1,0,0,0,0|1,0,1]=4 283 B13R0.150 CCCCCCCCNC(=O)C(C)C WXVL_AK1818SB0052 [1,1,0,0,0,0|1,0,0]=3 284 B13R0.150 CCCCCCCCNC(=O)C(C)C WXVL_AK1818SB0052 [1,1,0,0,0,0|1,0,0]=3 285 B13R0.150 CCCCCCCCNC(=O)C(C)S WXVL_AK1818SB2708 [1,1,0,0,0,0|1,0,0]=3 286 B13R0.150 CCCCCCCCNC(=O)C(C)S WXVL_AK1818SB2708 [1,1,0,0,0,0|1,0,0]=3 287 B13R0.150 CCCCCCCCNC(=O)C(F)F WXVL_AK1818SB0079 [1,1,0,0,0,0|2,0,0]=4 288 B13R0.150 CCCCCCCCNC(=O)C(F)F WXVL_AK1818SB0079 [1,1,0,0,0,0|2,0,0]=4 289 B13R0.150 CCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0182 [1,1,0,0,0,0|2,0,0]=4 290 B13R0.150 CCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0182 [1,1,0,0,0,0|2,0,0]=4 291 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [1,1,0,0,0,0|1,0,0]=3 292 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [1,1,0,0,0,0|1,0,0]=3 293 B13R0.150 CCCCOCCCNC(=O)C(C)C WXVL_AK2310SB0052 [1,1,0,0,0,0|2,0,0]=4 294 B13R0.150 CCCCOCCCNC(=O)C(C)C WXVL_AK2310SB0052 [1,1,0,0,0,0|2,0,0]=4 295 B13R0.150 CCCCOCCCNC(=O)C(C)S WXVL_AK2310SB2708 [1,1,0,0,0,0|2,0,0]=4 296 B13R0.150 CCCCOCCCNC(=O)C(C)S WXVL_AK2310SB2708 [1,1,0,0,0,0|2,0,0]=4 297 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O WXVL_AK2310SB1085 [1,1,0,0,0,0|2,0,0]=4 298 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O WXVL_AK2310SB1085 [1,1,0,0,0,0|2,0,0]=4 299 B13R0.201 CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0064 [1,1,0,0,0,0|1,0,1]=4 300 B13R0.201 CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0064 [1,1,0,0,0,0|1,0,1]=4 301 B13R0.201 CNC(=O)CCCCCCC(=O)OC WXVL_AK00442SB3124 [1,1,0,0,0,0|1,0,1]=4 302 B13R0.201 CNC(=O)CCCCCCC(=O)OC WXVL_AK00442SB3124 [1,1,0,0,0,0|1,0,1]=4 303 B13R0.202 COC(=O)CCCCCCNC(=O)C WXVL_AK00211SB0150 [1,1,0,0,0,0|1,0,1]=4 304 B13R0.202 COC(=O)CCCCCCNC(=O)C WXVL_AK00211SB0150 [1,1,0,0,0,0|1,0,1]=4 305 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [1,1,0,0,0,0|1,0,0]=3 306 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [1,1,0,0,0,0|1,0,0]=3 307 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [1,1,0,0,0,0|1,0,1]=4 308 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [1,1,0,0,0,0|1,0,1]=4 309 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [1,1,0,0,0,0|1,0,1]=4 310 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [1,1,0,0,0,0|1,0,1]=4 311 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [1,1,0,0,0,0|2,0,0]=4 312 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [1,1,0,0,0,0|2,0,0]=4 313 B15R0.408 CCNC(=O)NCCCCCC(=O)OCC WXVL_AK00476YV0146 [0,2,0,0,0,0|1,0,1]=4 314 B15R0.408 CCNC(=O)NCCCCCC(=O)OCC WXVL_AK00476YV0146 [0,2,0,0,0,0|1,0,1]=4 315 B15R0.67 CCCCCCCC(O)CC(=O)NC(C)C WXVL_AK0030SB4065 [0,2,0,0,0,0|1,0,0]=3 316 B15R0.67 CCCCCCCC(O)CC(=O)NC(C)C WXVL_AK0030SB4065 [0,2,0,0,0,0|1,0,0]=3 317 B15R0.138 C=CCNC(=O)CC(O)CCCCCCC WXVL_AK00561SB4065 [0,2,0,0,0,0|1,0,1]=4 318 B15R0.138 C=CCNC(=O)CC(O)CCCCCCC WXVL_AK00561SB4065 [0,2,0,0,0,0|1,0,1]=4 319 B15R0.138 CCCCCCCC(O)CC(=O)NCC#N WXVL_AK0683SB4065 [0,2,0,0,0,0|1,0,1]=4 320 B15R0.138 CCCCCCCC(O)CC(=O)NCC#N WXVL_AK0683SB4065 [0,2,0,0,0,0|1,0,1]=4 321 B15R0.138 CCCCCCCC(O)CC(=O)NCCC WXVL_AK00504SB4065 [0,2,0,0,0,0|1,0,0]=3 322 B15R0.138 CCCCCCCC(O)CC(=O)NCCC WXVL_AK00504SB4065 [0,2,0,0,0,0|1,0,0]=3 323 B15R0.138 CCCCCCCC(O)CC(=O)NCCF WXVL_AK00466SB4065 [0,2,0,0,0,0|1,0,0]=3 324 B15R0.138 CCCCCCCC(O)CC(=O)NCCF WXVL_AK00466SB4065 [0,2,0,0,0,0|1,0,0]=3 325 B15R0.370 CCCCOCCNC(=O)CC(=O)OCC WXVL_AK9674SB3094 [0,2,0,0,0,0|1,0,1]=4 326 B15R0.370 CCCCOCCNC(=O)CC(=O)OCC WXVL_AK9674SB3094 [0,2,0,0,0,0|1,0,1]=4 327 B15R0.370 CCOC(=O)CC(=O)NCCCCCCO WXVL_AK0751SB3094 [0,2,0,0,0,0|1,0,1]=4 328 B15R0.370 CCOC(=O)CC(=O)NCCCCCCO WXVL_AK0751SB3094 [0,2,0,0,0,0|1,0,1]=4 329 B15R0.4416 CCCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK0286HU0462 [0,2,0,0,0,0|2,0,0]=4 330 B15R0.4416 CCCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK0286HU0462 [0,2,0,0,0,0|2,0,0]=4 331 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC WXVL_AK1818SB0037 [0,2,0,0,0,0|2,0,0]=4 332 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC WXVL_AK1818SB0037 [0,2,0,0,0,0|2,0,0]=4 333 B15R0.3222 CCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0447 [0,2,0,0,0,0|1,0,1]=4 334 B15R0.3222 CCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0447 [0,2,0,0,0,0|1,0,1]=4 335 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0447 [0,2,0,0,0,0|1,0,0]=3 336 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0447 [0,2,0,0,0,0|1,0,0]=3 337 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC WXVL_AK1818SB4144 [0,2,0,0,0,0|0,0,1]=3 338 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC WXVL_AK1818SB4144 [0,2,0,0,0,0|0,0,1]=3 339 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC WXVL_AK1818SB0352 [0,2,0,0,0,0|2,0,0]=4 340 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC WXVL_AK1818SB0352 [0,2,0,0,0,0|2,0,0]=4 341 B15R0.3222 CCCCCCCCNC(=O)N(C)CCO WXVL_AN2670YV0182 [0,2,0,0,0,0|2,0,0]=4 342 B15R0.3222 CCCCCCCCNC(=O)N(C)CCO WXVL_AN2670YV0182 [0,2,0,0,0,0|2,0,0]=4 343 B15R0.3222 CCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1818SB3627 [0,2,0,0,0,0|2,0,0]=4 344 B15R0.3222 CCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1818SB3627 [0,2,0,0,0,0|2,0,0]=4 345 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC WXVL_AK2310SB4144 [0,2,0,0,0,0|1,0,1]=4 346 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC WXVL_AK2310SB4144 [0,2,0,0,0,0|1,0,1]=4 347 B15R0.60 CCCCC(O)C(=O)NCCC(=O)OCC WXVL_AK0465SB3429 [0,2,0,0,0,0|1,0,1]=4 348 B15R0.60 CCCCC(O)C(=O)NCCC(=O)OCC WXVL_AK0465SB3429 [0,2,0,0,0,0|1,0,1]=4 349 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0447 [0,2,0,0,0,0|1,0,0]=3 350 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0447 [0,2,0,0,0,0|1,0,0]=3 351 B15R0.321 CCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK1818SB2578 [0,2,0,0,0,0|2,0,0]=4 352 B15R0.321 CCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK1818SB2578 [0,2,0,0,0,0|2,0,0]=4 353 B15R0.321 CCCCCCCCNC(=O)C(O)C(C)C WXVL_AK1818SB1147 [0,2,0,0,0,0|2,0,0]=4 354 B15R0.321 CCCCCCCCNC(=O)C(O)C(C)C WXVL_AK1818SB1147 [0,2,0,0,0,0|2,0,0]=4 355 B15R0.321 CCCCCCCCNC(=O)N(C)C(C)C WXVL_AN0073YV0182 [0,2,0,0,0,0|2,0,0]=4 356 B15R0.321 CCCCCCCCNC(=O)N(C)C(C)C WXVL_AN0073YV0182 [0,2,0,0,0,0|2,0,0]=4 357 B15R0.324 C/C=C(\C)/C(=O)NCCCCCCCCC WXVL_AK1826SB0343 [0,2,0,0,0,0|1,0,1]=4 358 B15R0.324 C/C=C(\C)/C(=O)NCCCCCCCCC WXVL_AK1826SB0343 [0,2,0,0,0,0|1,0,1]=4 359 B15R0.324 CCC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0344 [0,2,0,0,0,0|2,0,0]=4 360 B15R0.324 CCC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0344 [0,2,0,0,0,0|2,0,0]=4 361 B15R0.324 CCC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0054 [0,2,0,0,0,0|2,0,0]=4 362 B15R0.324 CCC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0054 [0,2,0,0,0,0|2,0,0]=4 363 B15R0.324 CCCCCCCCCNC(=O)C(=O)CC WXVL_AK1826SB0344 [0,2,0,0,0,0|1,0,0]=3 364 B15R0.324 CCCCCCCCCNC(=O)C(=O)CC WXVL_AK1826SB0344 [0,2,0,0,0,0|1,0,0]=3 365 B15R0.324 CCCCCCCCCNC(=O)C(C)CC WXVL_AK1826SB0054 [0,2,0,0,0,0|1,0,0]=3 366 B15R0.324 CCCCCCCCCNC(=O)C(C)CC WXVL_AK1826SB0054 [0,2,0,0,0,0|1,0,0]=3 367 B15R0.324 CCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1826SB2926 [0,2,0,0,0,0|2,0,0]=4 368 B15R0.324 CCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1826SB2926 [0,2,0,0,0,0|2,0,0]=4 369 B15R0.324 CCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1826SB3573 [0,2,0,0,0,0|1,0,0]=3 370 B15R0.324 CCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1826SB3573 [0,2,0,0,0,0|1,0,0]=3 371 B15R0.324 CCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1826SB00054 [0,2,0,0,0,0|1,0,0]=3 372 B15R0.324 CCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1826SB00054 [0,2,0,0,0,0|1,0,0]=3 373 B15R0.324 CC[C@@H](C)C(=O)NCCCCCCCCO WXVL_AK4142SB00054 [0,2,0,0,0,0|2,0,0]=4 374 B15R0.324 CC[C@@H](C)C(=O)NCCCCCCCCO WXVL_AK4142SB00054 [0,2,0,0,0,0|2,0,0]=4 375 B15R0.324 CC[C@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB3573 [0,2,0,0,0,0|2,0,0]=4 376 B15R0.324 CC[C@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB3573 [0,2,0,0,0,0|2,0,0]=4 377 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC WXVL_AK1818SB0355 [0,2,0,0,0,0|2,0,0]=4 378 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC WXVL_AK1818SB0355 [0,2,0,0,0,0|2,0,0]=4 379 B15R0.2012 CCCCCCCCNC(=O)C(C)(O)CC WXVL_AK1818SB3009 [0,2,0,0,0,0|2,0,0]=4 380 B15R0.2012 CCCCCCCCNC(=O)C(C)(O)CC WXVL_AK1818SB3009 [0,2,0,0,0,0|2,0,0]=4 381 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0447 [0,2,0,0,0,0|1,0,0]=3 382 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0447 [0,2,0,0,0,0|1,0,0]=3 383 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC WXVL_AK1818SB0055 [0,2,0,0,0,0|2,0,0]=4 384 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC WXVL_AK1818SB0055 [0,2,0,0,0,0|2,0,0]=4 385 B15R0.3224 CCCCCCCCNC(=O)N(CC)CC WXVL_AN0042YV0182 [0,2,0,0,0,0|2,0,0]=4 386 B15R0.3224 CCCCCCCCNC(=O)N(CC)CC WXVL_AN0042YV0182 [0,2,0,0,0,0|2,0,0]=4 387 B15R0.136 CCCCCCNC(=O)NCC(=O)OCC WXVL_AK0286YV0151 [0,2,0,0,0,0|1,0,1]=4 388 B15R0.136 CCCCCCNC(=O)NCC(=O)OCC WXVL_AK0286YV0151 [0,2,0,0,0,0|1,0,1]=4 389 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0481 [0,2,0,0,0,0|1,0,1]=4 390 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0481 [0,2,0,0,0,0|1,0,1]=4 391 B15R0.69 CC(C)CC(=O)NCCCCCCCCO WXVL_AK4142SB0063 [0,2,0,0,0,0|2,0,0]=4 392 B15R0.69 CC(C)CC(=O)NCCCCCCCCO WXVL_AK4142SB0063 [0,2,0,0,0,0|2,0,0]=4 393 B15R0.69 CC(O)CC(=O)NCCCCCCCCO WXVL_AK4142SB3643 [0,2,0,0,0,0|2,0,0]=4 394 B15R0.69 CC(O)CC(=O)NCCCCCCCCO WXVL_AK4142SB3643 [0,2,0,0,0,0|2,0,0]=4 395 B15R0.69 CCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0490 [0,2,0,0,0,0|1,0,0]=3 396 B15R0.69 CCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0490 [0,2,0,0,0,0|1,0,0]=3 397 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C WXVL_AK1826SB0342 [0,2,0,0,0,0|1,0,1]=4 398 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C WXVL_AK1826SB0342 [0,2,0,0,0,0|1,0,1]=4 399 B15R0.69 CCCCCCCCCNC(=O)CC(C)C WXVL_AK1826SB0063 [0,2,0,0,0,0|1,0,0]=3 400 B15R0.69 CCCCCCCCCNC(=O)CC(C)C WXVL_AK1826SB0063 [0,2,0,0,0,0|1,0,0]=3 401 B15R0.69 CCCCCCCCCNC(=O)CC(C)O WXVL_AK1826SB3643 [0,2,0,0,0,0|1,0,0]=3 402 B15R0.69 CCCCCCCCCNC(=O)CC(C)O WXVL_AK1826SB3643 [0,2,0,0,0,0|1,0,0]=3 403 B15R0.69 CCCCCCCCCNC(=O)CN(C)C WXVL_AK1826SB0085 [0,2,0,0,0,0|2,0,0]=4 404 B15R0.69 CCCCCCCCCNC(=O)CN(C)C WXVL_AK1826SB0085 [0,2,0,0,0,0|2,0,0]=4 405 B15R0.3221 C#C[C@@H](C)NC(=O)CCCCCCCCC WXVL_AK00735SB0447 [0,2,0,0,0,0|1,0,0]=3 406 B15R0.3221 C#C[C@@H](C)NC(=O)CCCCCCCCC WXVL_AK00735SB0447 [0,2,0,0,0,0|1,0,0]=3 407 B15R0.3221 C#C[C@@H](C)NC(=O)NCCCCCCCC WXVL_AK00735YV0182 [0,2,0,0,0,0|2,0,0]=4 408 B15R0.3221 C#C[C@@H](C)NC(=O)NCCCCCCCC WXVL_AK00735YV0182 [0,2,0,0,0,0|2,0,0]=4 409 B15R0.3221 C=CC(C)NC(=O)CCCCCCCCC WXVL_AK00769SB0447 [0,2,0,0,0,0|1,0,0]=3 410 B15R0.3221 C=CC(C)NC(=O)CCCCCCCCC WXVL_AK00769SB0447 [0,2,0,0,0,0|1,0,0]=3 411 B15R0.3221 C=CC(C)NC(=O)NCCCCCCCC WXVL_AK00769YV0182 [0,2,0,0,0,0|2,0,0]=4 412 B15R0.3221 C=CC(C)NC(=O)NCCCCCCCC WXVL_AK00769YV0182 [0,2,0,0,0,0|2,0,0]=4 413 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0447 [0,2,0,0,0,0|1,0,0]=3 414 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0447 [0,2,0,0,0,0|1,0,0]=3 415 B15R0.3221 CCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0447 [0,2,0,0,0,0|1,0,0]=3 416 B15R0.3221 CCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0447 [0,2,0,0,0,0|1,0,0]=3 417 B15R0.3221 CCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0447 [0,2,0,0,0,0|1,0,0]=3 418 B15R0.3221 CCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0447 [0,2,0,0,0,0|1,0,0]=3 419 B15R0.3221 CCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0447 [0,2,0,0,0,0|1,0,0]=3 420 B15R0.3221 CCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0447 [0,2,0,0,0,0|1,0,0]=3 421 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC WXVL_AK1818SB0353 [0,2,0,0,0,0|2,0,0]=4 422 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC WXVL_AK1818SB0353 [0,2,0,0,0,0|2,0,0]=4 423 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC WXVL_AK1818SB4092 [0,2,0,0,0,0|2,0,0]=4 424 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC WXVL_AK1818SB4092 [0,2,0,0,0,0|2,0,0]=4 425 B15R0.3221 CCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1818SB8650 [0,2,0,0,0,0|2,0,0]=4 426 B15R0.3221 CCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1818SB8650 [0,2,0,0,0,0|2,0,0]=4 427 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N WXVL_AK00810YV0182 [0,2,0,0,0,0|2,0,0]=4 428 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N WXVL_AK00810YV0182 [0,2,0,0,0,0|2,0,0]=4 429 B15R0.3221 CCCCCCCCNC(=O)N[C@@H](C)CC WXVL_AK00678YV0182 [0,2,0,0,0,0|2,0,0]=4 430 B15R0.3221 CCCCCCCCNC(=O)N[C@@H](C)CC WXVL_AK00678YV0182 [0,2,0,0,0,0|2,0,0]=4 431 B15R0.3221 CCCCCCCCNC(=O)N[C@@H](C)CF WXVL_AK00558YV0182 [0,2,0,0,0,0|2,0,0]=4 432 B15R0.3221 CCCCCCCCNC(=O)N[C@@H](C)CF WXVL_AK00558YV0182 [0,2,0,0,0,0|2,0,0]=4 433 B15R0.3221 CCCCCCCCNC(=O)N[C@@H](C)CO WXVL_AK0109YV0182 [0,2,0,0,0,0|2,0,0]=4 434 B15R0.3221 CCCCCCCCNC(=O)N[C@@H](C)CO WXVL_AK0109YV0182 [0,2,0,0,0,0|2,0,0]=4 435 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0447 [0,2,0,0,0,0|1,0,0]=3 436 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0447 [0,2,0,0,0,0|1,0,0]=3 437 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C WXVL_AK1818SB0062 [0,2,0,0,0,0|2,0,0]=4 438 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C WXVL_AK1818SB0062 [0,2,0,0,0,0|2,0,0]=4 439 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)O WXVL_AK1818SB0163 [0,2,0,0,0,0|2,0,0]=4 440 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)O WXVL_AK1818SB0163 [0,2,0,0,0,0|2,0,0]=4 441 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C WXVL_AK0024YV0182 [0,2,0,0,0,0|2,0,0]=4 442 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C WXVL_AK0024YV0182 [0,2,0,0,0,0|2,0,0]=4 443 B15R0.18 CCOC(=O)CCNC(=O)CCCCCBr WXVL_AK0465SB2192 [0,2,0,0,0,0|1,0,1]=4 444 B15R0.18 CCOC(=O)CCNC(=O)CCCCCBr WXVL_AK0465SB2192 [0,2,0,0,0,0|1,0,1]=4 445 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO WXVL_AK0465SB2973 [0,2,0,0,0,0|1,0,1]=4 446 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO WXVL_AK0465SB2973 [0,2,0,0,0,0|1,0,1]=4 447 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,2,0,0,0,0|1,0,1]=4 448 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,2,0,0,0,0|1,0,1]=4 449 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,2,0,0,0,0|1,0,1]=4 450 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,2,0,0,0,0|1,0,1]=4 451 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,2,0,0,0,0|1,0,0]=3 452 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,2,0,0,0,0|1,0,0]=3 453 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,2,0,0,0,0|1,0,0]=3 454 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,2,0,0,0,0|1,0,0]=3 455 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,2,0,0,0,0|2,0,0]=4 456 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,2,0,0,0,0|2,0,0]=4 457 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,2,0,0,0,0|2,0,0]=4 458 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,2,0,0,0,0|2,0,0]=4 459 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0549 [0,2,0,0,0,0|2,0,0]=4 460 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0549 [0,2,0,0,0,0|2,0,0]=4 461 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC WXVL_AK1826HU0030 [0,2,0,0,0,0|2,0,0]=4 462 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC WXVL_AK1826HU0030 [0,2,0,0,0,0|2,0,0]=4 463 B15R0.2002 C#CCCC(=O)NCCCCCCCCC WXVL_AK1826SB2189 [0,2,0,0,0,0|1,0,1]=4 464 B15R0.2002 C#CCCC(=O)NCCCCCCCCC WXVL_AK1826SB2189 [0,2,0,0,0,0|1,0,1]=4 465 B15R0.2002 C=CCCC(=O)NCCCCCCCCC WXVL_AK1826SB1035 [0,2,0,0,0,0|1,0,1]=4 466 B15R0.2002 C=CCCC(=O)NCCCCCCCCC WXVL_AK1826SB1035 [0,2,0,0,0,0|1,0,1]=4 467 B15R0.2002 C=CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0481 [0,2,0,0,0,0|1,0,1]=4 468 B15R0.2002 C=CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0481 [0,2,0,0,0,0|1,0,1]=4 469 B15R0.2002 C=CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0481 [0,2,0,0,0,0|1,0,1]=4 470 B15R0.2002 C=CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0481 [0,2,0,0,0,0|1,0,1]=4 471 B15R0.2002 C=CCNC(=O)CCCCCCCCCC WXVL_AK00561SB0490 [0,2,0,0,0,0|1,0,1]=4 472 B15R0.2002 C=CCNC(=O)CCCCCCCCCC WXVL_AK00561SB0490 [0,2,0,0,0,0|1,0,1]=4 473 B15R0.2002 CCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0490 [0,2,0,0,0,0|1,0,1]=4 474 B15R0.2002 CCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0490 [0,2,0,0,0,0|1,0,1]=4 475 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [0,2,0,0,0,0|1,0,0]=3 476 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [0,2,0,0,0,0|1,0,0]=3 477 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [0,2,0,0,0,0|1,0,0]=3 478 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [0,2,0,0,0,0|1,0,0]=3 479 B15R0.2002 CCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1826SB0424 [0,2,0,0,0,0|1,0,1]=4 480 B15R0.2002 CCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1826SB0424 [0,2,0,0,0,0|1,0,1]=4 481 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [0,2,0,0,0,0|1,0,0]=3 482 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [0,2,0,0,0,0|1,0,0]=3 483 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [0,2,0,0,0,0|1,0,0]=3 484 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [0,2,0,0,0,0|1,0,0]=3 485 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [0,2,0,0,0,0|0,0,0]=2 486 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [0,2,0,0,0,0|0,0,0]=2 487 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [0,2,0,0,0,0|0,1,0]=3 488 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [0,2,0,0,0,0|0,1,0]=3 489 B15R0.2002 CCCCCCCCCNC(=O)NCCCl WXVL_AK1826YV0092 [0,2,0,0,0,0|1,0,0]=3 490 B15R0.2002 CCCCCCCCCNC(=O)NCCCl WXVL_AK1826YV0092 [0,2,0,0,0,0|1,0,0]=3 491 B15R0.2002 CCOCC(=O)NCCCCCCCCO WXVL_AK4142SB0091 [0,2,0,0,0,0|1,0,0]=3 492 B15R0.2002 CCOCC(=O)NCCCCCCCCO WXVL_AK4142SB0091 [0,2,0,0,0,0|1,0,0]=3 493 B15R0.2002 CCSCC(=O)NCCCCCCCCO WXVL_AK4142SB0002 [0,2,0,0,0,0|1,1,0]=4 494 B15R0.2002 CCSCC(=O)NCCCCCCCCO WXVL_AK4142SB0002 [0,2,0,0,0,0|1,1,0]=4 495 B15R0.2002 COCCC(=O)NCCCCCCCCO WXVL_AK4142SB0156 [0,2,0,0,0,0|2,0,0]=4 496 B15R0.2002 COCCC(=O)NCCCCCCCCO WXVL_AK4142SB0156 [0,2,0,0,0,0|2,0,0]=4 497 B15R0.2002 CSCCC(=O)NCCCCCCCCO WXVL_AK4142SB0361 [0,2,0,0,0,0|2,0,0]=4 498 B15R0.2002 CSCCC(=O)NCCCCCCCCO WXVL_AK4142SB0361 [0,2,0,0,0,0|2,0,0]=4 499 B15R0.2002 O=C(NCCCl)NCCCCCCCCO WXVL_AK4142YV0092 [0,2,0,0,0,0|2,0,0]=4 500 B15R0.2002 O=C(NCCCl)NCCCCCCCCO WXVL_AK4142YV0092 [0,2,0,0,0,0|2,0,0]=4 501 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)C WXVL_AK0465SB1301 [0,2,0,0,0,0|1,0,1]=4 502 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)C WXVL_AK0465SB1301 [0,2,0,0,0,0|1,0,1]=4 503 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC WXVL_AK0761SB0447 [0,2,0,0,0,0|1,0,0]=3 504 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC WXVL_AK0761SB0447 [0,2,0,0,0,0|1,0,0]=3 505 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC WXVL_AK0761YV0182 [0,2,0,0,0,0|2,0,0]=4 506 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC WXVL_AK0761YV0182 [0,2,0,0,0,0|2,0,0]=4 507 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0447 [0,2,0,0,0,0|1,0,1]=4 508 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0447 [0,2,0,0,0,0|1,0,1]=4 509 B15R0.88 CCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0447 [0,2,0,0,0,0|1,0,0]=3 510 B15R0.88 CCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0447 [0,2,0,0,0,0|1,0,0]=3 511 B15R0.88 CCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0447 [0,2,0,0,0,0|1,0,0]=3 512 B15R0.88 CCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0447 [0,2,0,0,0,0|1,0,0]=3 513 B15R0.88 CCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0447 [0,2,0,0,0,0|1,0,0]=3 514 B15R0.88 CCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0447 [0,2,0,0,0,0|1,0,0]=3 515 B15R0.88 CCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0447 [0,2,0,0,0,0|1,0,0]=3 516 B15R0.88 CCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0447 [0,2,0,0,0,0|1,0,0]=3 517 B15R0.88 CCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK1818SB0036 [0,2,0,0,0,0|2,0,0]=4 518 B15R0.88 CCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK1818SB0036 [0,2,0,0,0,0|2,0,0]=4 519 B15R0.88 CCCCCCCCNC(=O)CCC(=O)C WXVL_AK1818SB0072 [0,2,0,0,0,0|2,0,0]=4 520 B15R0.88 CCCCCCCCNC(=O)CCC(=O)C WXVL_AK1818SB0072 [0,2,0,0,0,0|2,0,0]=4 521 B15R0.88 CCCCCCCCNC(=O)CCC(C)C WXVL_AK1818SB0354 [0,2,0,0,0,0|2,0,0]=4 522 B15R0.88 CCCCCCCCNC(=O)CCC(C)C WXVL_AK1818SB0354 [0,2,0,0,0,0|2,0,0]=4 523 B15R0.88 CCCCCCCCNC(=O)CCN(C)C WXVL_AK1818SB00052 [0,2,0,0,0,0|2,0,0]=4 524 B15R0.88 CCCCCCCCNC(=O)CCN(C)C WXVL_AK1818SB00052 [0,2,0,0,0,0|2,0,0]=4 525 B15R0.88 CCCCCCCCNC(=O)COC(=O)C WXVL_AK1818SB2824 [0,2,0,0,0,0|1,0,1]=4 526 B15R0.88 CCCCCCCCNC(=O)COC(=O)C WXVL_AK1818SB2824 [0,2,0,0,0,0|1,0,1]=4 527 B15R0.88 CCCCCCCCNC(=O)COC(C)C WXVL_AK1818SB0213 [0,2,0,0,0,0|1,0,0]=3 528 B15R0.88 CCCCCCCCNC(=O)COC(C)C WXVL_AK1818SB0213 [0,2,0,0,0,0|1,0,0]=3 529 B15R0.88 CCCCCCCCNC(=O)NCC(C)C WXVL_AK00544YV0182 [0,2,0,0,0,0|2,0,0]=4 530 B15R0.88 CCCCCCCCNC(=O)NCC(C)C WXVL_AK00544YV0182 [0,2,0,0,0,0|2,0,0]=4 531 B15R0.88 CCCCCCCCNC(=O)NCC(C)O WXVL_AK0052YV0182 [0,2,0,0,0,0|2,0,0]=4 532 B15R0.88 CCCCCCCCNC(=O)NCC(C)O WXVL_AK0052YV0182 [0,2,0,0,0,0|2,0,0]=4 533 B15R0.88 CCCCCCCCNC(=O)NCC(F)F WXVL_AK0136YV0182 [0,2,0,0,0,0|2,0,0]=4 534 B15R0.88 CCCCCCCCNC(=O)NCC(F)F WXVL_AK0136YV0182 [0,2,0,0,0,0|2,0,0]=4 535 B15R0.88 CCCCCCCCNC(=O)NC[C@H](C)O WXVL_AK0113YV0182 [0,2,0,0,0,0|2,0,0]=4 536 B15R0.88 CCCCCCCCNC(=O)NC[C@H](C)O WXVL_AK0113YV0182 [0,2,0,0,0,0|2,0,0]=4 537 B15R0.88 CCCCOCCCNC(=O)COC(C)C WXVL_AK2310SB0213 [0,2,0,0,0,0|2,0,0]=4 538 B15R0.88 CCCCOCCCNC(=O)COC(C)C WXVL_AK2310SB0213 [0,2,0,0,0,0|2,0,0]=4 539 B15R0.322 C#CCCCC(=O)NCCCCCCCC WXVL_AK1818SB2709 [0,2,0,0,0,0|2,0,0]=4 540 B15R0.322 C#CCCCC(=O)NCCCCCCCC WXVL_AK1818SB2709 [0,2,0,0,0,0|2,0,0]=4 541 B15R0.322 C#CCCNC(=O)CCCCCCCCC WXVL_AK3109SB0447 [0,2,0,0,0,0|1,0,0]=3 542 B15R0.322 C#CCCNC(=O)CCCCCCCCC WXVL_AK3109SB0447 [0,2,0,0,0,0|1,0,0]=3 543 B15R0.322 C#CCCNC(=O)NCCCCCCCC WXVL_AK3109YV0182 [0,2,0,0,0,0|2,0,0]=4 544 B15R0.322 C#CCCNC(=O)NCCCCCCCC WXVL_AK3109YV0182 [0,2,0,0,0,0|2,0,0]=4 545 B15R0.322 C=CCCCC(=O)NCCCCCCCC WXVL_AK1818SB2920 [0,2,0,0,0,0|2,0,0]=4 546 B15R0.322 C=CCCCC(=O)NCCCCCCCC WXVL_AK1818SB2920 [0,2,0,0,0,0|2,0,0]=4 547 B15R0.322 C=CCCNC(=O)CCCCCCCCC WXVL_AK00138SB0447 [0,2,0,0,0,0|1,0,0]=3 548 B15R0.322 C=CCCNC(=O)CCCCCCCCC WXVL_AK00138SB0447 [0,2,0,0,0,0|1,0,0]=3 549 B15R0.322 C=CCCNC(=O)NCCCCCCCC WXVL_AK00138YV0182 [0,2,0,0,0,0|2,0,0]=4 550 B15R0.322 C=CCCNC(=O)NCCCCCCCC WXVL_AK00138YV0182 [0,2,0,0,0,0|2,0,0]=4 551 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC WXVL_AK1818SB0349 [0,2,0,0,0,0|2,0,0]=4 552 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC WXVL_AK1818SB0349 [0,2,0,0,0,0|2,0,0]=4 553 B15R0.322 CCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0447 [0,2,0,0,0,0|1,0,0]=3 554 B15R0.322 CCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0447 [0,2,0,0,0,0|1,0,0]=3 555 B15R0.322 CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0447 [0,2,0,0,0,0|1,0,0]=3 556 B15R0.322 CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0447 [0,2,0,0,0,0|1,0,0]=3 557 B15R0.322 CCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0447 [0,2,0,0,0,0|1,0,0]=3 558 B15R0.322 CCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0447 [0,2,0,0,0,0|1,0,0]=3 559 B15R0.322 CCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0447 [0,2,0,0,0,0|1,0,0]=3 560 B15R0.322 CCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0447 [0,2,0,0,0,0|1,0,0]=3 561 B15R0.322 CCCCCCCCNC(=O)/C=C/OCC WXVL_AK1818SB3226 [0,2,0,0,0,0|1,0,0]=3 562 B15R0.322 CCCCCCCCNC(=O)/C=C/OCC WXVL_AK1818SB3226 [0,2,0,0,0,0|1,0,0]=3 563 B15R0.322 CCCCCCCCNC(=O)CCCCBr WXVL_AK1818SB3153 [0,2,0,0,0,0|2,0,0]=4 564 B15R0.322 CCCCCCCCNC(=O)CCCCBr WXVL_AK1818SB3153 [0,2,0,0,0,0|2,0,0]=4 565 B15R0.322 CCCCCCCCNC(=O)CCCCCl WXVL_AK1818SB0379 [0,2,0,0,0,0|2,0,0]=4 566 B15R0.322 CCCCCCCCNC(=O)CCCCCl WXVL_AK1818SB0379 [0,2,0,0,0,0|2,0,0]=4 567 B15R0.322 CCCCCCCCNC(=O)NCCC#N WXVL_AK0087YV0182 [0,2,0,0,0,0|2,0,0]=4 568 B15R0.322 CCCCCCCCNC(=O)NCCC#N WXVL_AK0087YV0182 [0,2,0,0,0,0|2,0,0]=4 569 B15R0.322 CCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0182 [0,2,0,0,0,0|2,0,0]=4 570 B15R0.322 CCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0182 [0,2,0,0,0,0|2,0,0]=4 571 B15R0.322 CCCCCCCCNC(=O)NCCCCl WXVL_AK1818YV0130 [0,2,0,0,0,0|2,0,0]=4 572 B15R0.322 CCCCCCCCNC(=O)NCCCCl WXVL_AK1818YV0130 [0,2,0,0,0,0|2,0,0]=4 573 B15R0.322 CCCCCCCCNC(=O)NCCCO WXVL_AK0073YV0182 [0,2,0,0,0,0|2,0,0]=4 574 B15R0.322 CCCCCCCCNC(=O)NCCCO WXVL_AK0073YV0182 [0,2,0,0,0,0|2,0,0]=4 575 B15R0.322 CCCCCCCCNC(=O)NCCSC WXVL_AK00440YV0182 [0,2,0,0,0,0|2,0,0]=4 576 B15R0.322 CCCCCCCCNC(=O)NCCSC WXVL_AK00440YV0182 [0,2,0,0,0,0|2,0,0]=4 577 B15R0.322 CCCCOCCCNC(=O)/C=C/OCC WXVL_AK2310SB3226 [0,2,0,0,0,0|2,0,0]=4 578 B15R0.322 CCCCOCCCNC(=O)/C=C/OCC WXVL_AK2310SB3226 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [1,0,0,1,0,0|1,0,0]=3 580 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [1,0,0,1,0,0|1,0,0]=3 581 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [1,0,0,1,0,0|2,0,0]=4 582 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [1,0,0,1,0,0|2,0,0]=4 583 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [1,0,0,1,0,0|2,0,0]=4 584 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [1,0,0,1,0,0|2,0,0]=4 585 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [1,0,0,1,0,0|2,0,0]=4 586 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [1,0,0,1,0,0|2,0,0]=4 587 B13R1.382 CCC(=O)N1CCCCC1CCO WXVL_AN2918SB0064 [1,0,0,1,0,0|2,0,0]=4 588 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [1,0,0,1,0,0|2,0,0]=4 589 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [1,0,0,1,0,0|2,0,0]=4 590 B13R1.382 CCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0064 [1,0,0,1,0,0|2,0,0]=4 591 B13R1.536 CCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0064 [1,0,0,1,0,0|2,0,0]=4 592 B13R1.536 CCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0064 [1,0,0,1,0,0|2,0,0]=4 593 B13R1.536 CCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0064 [1,0,0,1,0,0|2,0,0]=4 594 B13R1.536 CCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0064 [1,0,0,1,0,0|2,0,0]=4 595 B13R1.581 CCCCC1CCCN1C(=O)CC WXVL_AN00739SB0064 [1,0,0,1,0,0|1,0,0]=3 596 B13R1.581 CCCCC1CCCN1C(=O)CO WXVL_AN00739SB2706 [1,0,0,1,0,0|2,0,0]=4 597 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [1,0,0,1,0,0|2,0,0]=4 598 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [1,0,0,1,0,0|2,0,0]=4 599 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [1,0,0,1,0,0|1,0,0]=3 600 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [1,0,0,1,0,0|1,0,0]=3 601 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [1,0,0,1,0,0|2,0,0]=4 602 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [1,0,0,1,0,0|2,0,0]=4 603 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [1,0,0,1,0,0|2,0,0]=4 604 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [1,0,0,1,0,0|2,0,0]=4 605 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [1,0,0,1,0,0|2,0,0]=4 606 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [1,0,0,1,0,0|2,0,0]=4 607 B15R1.10316 CCCC(=O)N1CCC[C@H]1C(=O)OCC WXVL_AN3552SB0073 [0,1,0,1,0,0|1,0,1]=4 608 B15R1.10316 CCCC(=O)N1CCC[C@H]1C(=O)OCC WXVL_AN3552SB0073 [0,1,0,1,0,0|1,0,1]=4 609 B15R1.812 CCOC(=O)[C@@H]1CCCCN1C(=O)CC WXVL_AN3118SB0064 [0,1,0,1,0,0|1,0,1]=4 610 B15R1.809 CCOC(=O)CC(=O)NC1CCCCC1 WXVL_AK00480SB3094 [0,1,0,1,0,0|1,0,1]=4 611 B15R1.809 CCOC(=O)CC(=O)NC1CCCCC1 WXVL_AK00480SB3094 [0,1,0,1,0,0|1,0,1]=4 612 B15R1.1284 CCOC(=O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3094 [0,1,0,1,0,0|1,0,1]=4 613 B15R1.1284 CCOC(=O)CC(=O)NCC1CCCC1 WXVL_AK0303SB3094 [0,1,0,1,0,0|1,0,1]=4 614 B15R1.2618 CCOC(=O)CC(=O)NCCC1CCC1 WXVL_AK2418SB3094 [0,1,0,1,0,0|1,0,1]=4 615 B15R1.2618 CCOC(=O)CC(=O)NCCC1CCC1 WXVL_AK2418SB3094 [0,1,0,1,0,0|1,0,1]=4 616 B15R1.3722 CCOC(=O)CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3094 [0,1,0,1,0,0|1,0,1]=4 617 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB4144 [0,1,0,1,0,0|1,0,1]=4 618 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB4144 [0,1,0,1,0,0|1,0,1]=4 619 B15R1.778 C/C=C/C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0340 [0,1,0,1,0,0|1,0,1]=4 620 B15R1.778 C/C=C/C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0340 [0,1,0,1,0,0|1,0,1]=4 621 B15R1.778 CC#CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1240 [0,1,0,1,0,0|1,0,1]=4 622 B15R1.778 CC#CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1240 [0,1,0,1,0,0|1,0,1]=4 623 B15R1.778 CCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0073 [0,1,0,1,0,0|1,0,0]=3 624 B15R1.778 CCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0073 [0,1,0,1,0,0|1,0,0]=3 625 B15R1.778 CCCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0073 [0,1,0,1,0,0|2,0,0]=4 626 B15R1.778 CCCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0073 [0,1,0,1,0,0|2,0,0]=4 627 B15R1.778 CCCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0073 [0,1,0,1,0,0|2,0,0]=4 628 B15R1.778 CCCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0073 [0,1,0,1,0,0|2,0,0]=4 629 B15R1.778 COCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0090 [0,1,0,1,0,0|2,0,0]=4 630 B15R1.778 COCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0090 [0,1,0,1,0,0|2,0,0]=4 631 B15R1.778 CSCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1267 [0,1,0,1,0,0|2,0,0]=4 632 B15R1.778 CSCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1267 [0,1,0,1,0,0|2,0,0]=4 633 B15R1.1220 CCOCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0091 [0,1,0,1,0,0|2,0,0]=4 634 B15R1.1220 CCOCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0091 [0,1,0,1,0,0|2,0,0]=4 635 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0091 [0,1,0,1,0,0|2,0,0]=4 636 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0091 [0,1,0,1,0,0|2,0,0]=4 637 B15R1.3894 CCOCC(=O)NCCC1CCCN1C WXVL_AK2343SB0091 [0,1,0,1,0,0|2,0,0]=4 638 B15R1.3894 CCOCC(=O)NCCC1CCCN1C WXVL_AK2343SB0091 [0,1,0,1,0,0|2,0,0]=4 639 B15R1.1067 CCCCC1CCCN1C(=O)C(=O)CC WXVL_AN00739SB0344 [0,1,0,1,0,0|2,0,0]=4 640 B15R1.1067 CCCCC1CCCN1C(=O)C(C)CC WXVL_AN00739SB0054 [0,1,0,1,0,0|2,0,0]=4 641 B15R1.1067 CCCCC1CCCN1C(=O)[C@@H](O)CC WXVL_AN00739SB3573 [0,1,0,1,0,0|2,0,0]=4 642 B15R1.1067 CCCCC1CCCN1C(=O)[C@H](C)CC WXVL_AN00739SB00054 [0,1,0,1,0,0|2,0,0]=4 643 B15R1.1321 CCC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0344 [0,1,0,1,0,0|2,0,0]=4 644 B15R1.1321 CCC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0344 [0,1,0,1,0,0|2,0,0]=4 645 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0054 [0,1,0,1,0,0|2,0,0]=4 646 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 WXVL_AK1287SB0054 [0,1,0,1,0,0|2,0,0]=4 647 B15R1.1321 CC[C@@H](C)C(=O)NCCC1CCCCC1 WXVL_AK1287SB00054 [0,1,0,1,0,0|2,0,0]=4 648 B15R1.1321 CC[C@@H](C)C(=O)NCCC1CCCCC1 WXVL_AK1287SB00054 [0,1,0,1,0,0|2,0,0]=4 649 B15R1.1321 CC[C@H](O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB3573 [0,1,0,1,0,0|2,0,0]=4 650 B15R1.1321 CC[C@H](O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB3573 [0,1,0,1,0,0|2,0,0]=4 651 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 WXVL_AK1818SB0042 [0,1,0,1,0,0|2,0,0]=4 652 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 WXVL_AK1818SB0042 [0,1,0,1,0,0|2,0,0]=4 653 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)Br WXVL_AK1818SB5517 [0,1,0,1,0,0|2,0,0]=4 654 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)Br WXVL_AK1818SB5517 [0,1,0,1,0,0|2,0,0]=4 655 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C WXVL_AK1818SB0040 [0,1,0,1,0,0|2,0,0]=4 656 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C WXVL_AK1818SB0040 [0,1,0,1,0,0|2,0,0]=4 657 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F WXVL_AK1818SB0218 [0,1,0,1,0,0|2,0,0]=4 658 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F WXVL_AK1818SB0218 [0,1,0,1,0,0|2,0,0]=4 659 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)O WXVL_AK1818SB2965 [0,1,0,1,0,0|2,0,0]=4 660 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)O WXVL_AK1818SB2965 [0,1,0,1,0,0|2,0,0]=4 661 B15R1.40557 CCCCCCCCNC(=O)C1CC1C WXVL_AK1818SB0041 [0,1,0,1,0,0|2,0,0]=4 662 B15R1.40557 CCCCCCCCNC(=O)C1CC1C WXVL_AK1818SB0041 [0,1,0,1,0,0|2,0,0]=4 663 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1818SB1245 [0,1,0,1,0,0|2,0,0]=4 664 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1818SB1245 [0,1,0,1,0,0|2,0,0]=4 665 B15R1.40557 CCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1818SB00019 [0,1,0,1,0,0|2,0,0]=4 666 B15R1.40557 CCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1818SB00019 [0,1,0,1,0,0|2,0,0]=4 667 B15R1.829 CCCCC1CCCN1C(=O)CC(C)C WXVL_AN00739SB0063 [0,1,0,1,0,0|2,0,0]=4 668 B15R1.829 CCCCC1CCCN1C(=O)CC(C)O WXVL_AN00739SB3643 [0,1,0,1,0,0|2,0,0]=4 669 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0063 [0,1,0,1,0,0|2,0,0]=4 670 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0063 [0,1,0,1,0,0|2,0,0]=4 671 B15R1.9084 CC(O)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB3643 [0,1,0,1,0,0|2,0,0]=4 672 B15R1.9084 CC(O)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB3643 [0,1,0,1,0,0|2,0,0]=4 673 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0447 [0,1,0,1,0,0|1,0,0]=3 674 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0447 [0,1,0,1,0,0|1,0,0]=3 675 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 WXVL_AK1818SB0155 [0,1,0,1,0,0|2,0,0]=4 676 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 WXVL_AK1818SB0155 [0,1,0,1,0,0|2,0,0]=4 677 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 WXVL_AK0001YV0182 [0,1,0,1,0,0|2,0,0]=4 678 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 WXVL_AK0001YV0182 [0,1,0,1,0,0|2,0,0]=4 679 B15R1.843 CCCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0073 [0,1,0,1,0,0|2,0,0]=4 680 B15R1.843 CCCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0073 [0,1,0,1,0,0|2,0,0]=4 681 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 WXVL_AK1826SB0038 [0,1,0,1,0,0|1,0,0]=3 682 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 WXVL_AK1826SB0038 [0,1,0,1,0,0|1,0,0]=3 683 B15R1.12171 O=C(NCCCCCCCCO)C1CC1 WXVL_AK4142SB0038 [0,1,0,1,0,0|2,0,0]=4 684 B15R1.12171 O=C(NCCCCCCCCO)C1CC1 WXVL_AK4142SB0038 [0,1,0,1,0,0|2,0,0]=4 685 B15R1.1274 CCOC(=O)CC1CCCCN1C(=O)C WXVL_AN8323SB0150 [0,1,0,1,0,0|1,0,1]=4 686 B15R1.157 CCOCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0091 [0,1,0,1,0,0|1,0,0]=3 687 B15R1.157 CCOCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0091 [0,1,0,1,0,0|1,0,0]=3 688 B15R1.157 CCOCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0091 [0,1,0,1,0,0|2,0,0]=4 689 B15R1.157 CCOCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0091 [0,1,0,1,0,0|2,0,0]=4 690 B15R1.157 CCOCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0091 [0,1,0,1,0,0|2,0,0]=4 691 B15R1.157 CCOCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0091 [0,1,0,1,0,0|2,0,0]=4 692 B15R1.157 CCSCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0002 [0,1,0,1,0,0|1,1,0]=4 693 B15R1.157 CCSCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0002 [0,1,0,1,0,0|1,1,0]=4 694 B15R1.157 COCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0156 [0,1,0,1,0,0|2,0,0]=4 695 B15R1.157 COCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0156 [0,1,0,1,0,0|2,0,0]=4 696 B15R1.157 CSCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0361 [0,1,0,1,0,0|2,0,0]=4 697 B15R1.157 CSCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0361 [0,1,0,1,0,0|2,0,0]=4 698 B15R1.157 O=C(NCCCl)NCCC1CCCCC1 WXVL_AK1287YV0092 [0,1,0,1,0,0|2,0,0]=4 699 B15R1.157 O=C(NCCCl)NCCC1CCCCC1 WXVL_AK1287YV0092 [0,1,0,1,0,0|2,0,0]=4 700 B15R1.830 CCCCC1CCCN1C(=O)CCOC WXVL_AN00739SB0156 [0,1,0,1,0,0|2,0,0]=4 701 B15R1.830 CCCCC1CCCN1C(=O)CCSC WXVL_AN00739SB0361 [0,1,0,1,0,0|2,0,0]=4 702 B15R1.830 CCCCC1CCCN1C(=O)COCC WXVL_AN00739SB0091 [0,1,0,1,0,0|1,0,0]=3 703 B15R1.830 CCCCC1CCCN1C(=O)CSCC WXVL_AN00739SB0002 [0,1,0,1,0,0|1,1,0]=4 704 B15R1.830 CCCCC1CCCN1C(=O)NCCCl WXVL_AN00739YV0092 [0,1,0,1,0,0|2,0,0]=4 705 B15R1.1240 CCOCC(=O)N1CCCCC1CCO WXVL_AN2918SB0091 [0,1,0,1,0,0|2,0,0]=4 706 B15R1.1240 CCOCC(=O)N1CCCCC1COC WXVL_AN0507SB0091 [0,1,0,1,0,0|2,0,0]=4 707 B15R1.1240 CCOCC(=O)N1CCCCC1COC WXVL_AN0507SB0091 [0,1,0,1,0,0|2,0,0]=4 708 B15R1.1240 CCOCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0091 [0,1,0,1,0,0|2,0,0]=4 709 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 WXVL_AK0465SB0043 [0,1,0,1,0,0|1,0,1]=4 710 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 WXVL_AK0465SB0043 [0,1,0,1,0,0|1,0,1]=4 711 B15R1.10435 CCOC(=O)CCNC(=O)CC1CCC1 WXVL_AK0465SB2207 [0,1,0,1,0,0|1,0,1]=4 712 B15R1.10435 CCOC(=O)CCNC(=O)CC1CCC1 WXVL_AK0465SB2207 [0,1,0,1,0,0|1,0,1]=4 713 B15R1.10436 CCOC(=O)CCNC(=O)CCC1CC1 WXVL_AK0465SB5360 [0,1,0,1,0,0|1,0,1]=4 714 B15R1.10436 CCOC(=O)CCNC(=O)CCC1CC1 WXVL_AK0465SB5360 [0,1,0,1,0,0|1,0,1]=4 715 B15R2.75882 CCNC(=O)CC12CCCN1CCC2 WXVL_AK00476SB00032 [0,0,0,2,0,0|2,0,0]=4 716 B15R2.75882 CCNC(=O)CC12CCCN1CCC2 WXVL_AK00476SB00032 [0,0,0,2,0,0|2,0,0]=4 717 B15R2.1358 CCCC(=O)N1CCC12CCCCC2 WXVL_AN0679SB0073 [0,0,0,2,0,0|2,0,0]=4 718 B15R2.1358 CCCC(=O)N1CCC12CCCCC2 WXVL_AN0679SB0073 [0,0,0,2,0,0|2,0,0]=4 719 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 WXVL_AK1287SB0038 [0,0,0,2,0,0|2,0,0]=4 720 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 WXVL_AK1287SB0038 [0,0,0,2,0,0|2,0,0]=4 721 B15R2.1356 CCCC(=O)N1CC2CCCCC2C1 WXVL_AN0449SB0073 [0,0,0,2,0,0|2,0,0]=4 722 B15R2.1356 CCCC(=O)N1CC2CCCCC2C1 WXVL_AN0449SB0073 [0,0,0,2,0,0|2,0,0]=4 723 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 WXVL_AN00705SB0073 [0,0,0,2,0,0|2,0,0]=4 724 B15R2.19730 CCCCC1CCCN1C(=O)C2CC2 WXVL_AN00739SB0038 [0,0,0,2,0,0|2,0,0]=4