0 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,0,0,0,0,0|2,0,1]=3 3 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,0,0,0,0,0|2,0,1]=3 4 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,0,0,0,0,0|2,0,2]=4 6 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,0,0,0,0,0|2,0,1]=3 7 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,0,0,0,0,0|2,0,1]=3 8 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,0,0,0,0,0|1,0,0]=1 9 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,0,0,0,0,0|1,0,0]=1 10 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,0,0,0,0,0|3,0,1]=4 11 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,0,0,0,0,0|3,0,1]=4 12 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,0,0,0,0,0|2,0,0]=2 13 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,0,0,0,0,0|2,0,0]=2 14 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,0,0,0,0,0|3,0,0]=3 15 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,0,0,0,0,0|3,0,0]=3 16 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,0,0,0,0,0|3,0,0]=3 17 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,0,0,0,0,0|3,0,0]=3 18 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [1,0,0,0,0,0|1,0,2]=4 19 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [1,0,0,0,0,0|1,0,2]=4 20 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,0,0,0,0,0|1,0,0]=2 21 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,0,0,0,0,0|1,0,0]=2 22 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,0,0,0,0,0|1,0,0]=2 23 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,0,0,0,0,0|1,0,0]=2 24 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,0,0,0,0,0|2,0,0]=3 25 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,0,0,0,0,0|2,0,0]=3 26 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [1,0,0,0,0,0|2,0,1]=4 27 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [1,0,0,0,0,0|2,0,1]=4 28 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [1,0,0,0,0,0|1,0,2]=4 29 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [1,0,0,0,0,0|1,0,2]=4 30 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [1,0,0,0,0,0|2,0,1]=4 31 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [1,0,0,0,0,0|2,0,1]=4 32 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [1,0,0,0,0,0|3,0,0]=4 33 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [1,0,0,0,0,0|3,0,0]=4 34 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [1,0,0,0,0,0|1,0,0]=2 35 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [1,0,0,0,0,0|1,0,0]=2 36 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [1,0,0,0,0,0|2,0,0]=3 37 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [1,0,0,0,0,0|2,0,0]=3 38 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [1,0,0,0,0,0|3,0,0]=4 39 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [1,0,0,0,0,0|3,0,0]=4 40 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [1,0,0,0,0,0|3,0,0]=4 41 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [1,0,0,0,0,0|3,0,0]=4 42 B16R0.61 C/C=C/C(=O)NCCCCCCCCCCO WXVL_AK3148SB0340 [0,1,0,0,0,0|2,0,1]=4 43 B16R0.61 C/C=C/C(=O)NCCCCCCCCCCO WXVL_AK3148SB0340 [0,1,0,0,0,0|2,0,1]=4 44 B16R0.61 CC#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB1240 [0,1,0,0,0,0|2,0,1]=4 45 B16R0.61 CC#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB1240 [0,1,0,0,0,0|2,0,1]=4 46 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,1,0,0,0,0|2,0,0]=3 47 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,1,0,0,0,0|2,0,0]=3 48 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,1,0,0,0,0|1,0,0]=2 49 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,1,0,0,0,0|1,0,0]=2 50 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,1,0,0,0,0|1,0,0]=2 51 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,1,0,0,0,0|1,0,0]=2 52 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,1,0,0,0,0|3,0,0]=4 53 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,1,0,0,0,0|3,0,0]=4 54 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,1,0,0,0,0|3,0,0]=4 55 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,1,0,0,0,0|3,0,0]=4 56 B16R0.70 C/C=C(\C)/C(=O)NCCCCCCCCCC WXVL_AK1845SB0343 [0,1,0,0,0,0|2,0,1]=4 57 B16R0.70 C/C=C(\C)/C(=O)NCCCCCCCCCC WXVL_AK1845SB0343 [0,1,0,0,0,0|2,0,1]=4 58 B16R0.70 CCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1845SB0344 [0,1,0,0,0,0|2,0,0]=3 59 B16R0.70 CCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1845SB0344 [0,1,0,0,0,0|2,0,0]=3 60 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC WXVL_AK1845SB0054 [0,1,0,0,0,0|2,0,0]=3 61 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC WXVL_AK1845SB0054 [0,1,0,0,0,0|2,0,0]=3 62 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1845SB2926 [0,1,0,0,0,0|3,0,0]=4 63 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1845SB2926 [0,1,0,0,0,0|3,0,0]=4 64 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1845SB3573 [0,1,0,0,0,0|2,0,0]=3 65 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1845SB3573 [0,1,0,0,0,0|2,0,0]=3 66 B16R0.70 CCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1845SB00054 [0,1,0,0,0,0|2,0,0]=3 67 B16R0.70 CCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1845SB00054 [0,1,0,0,0,0|2,0,0]=3 68 B16R0.154 CCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1818SB3094 [0,1,0,0,0,0|1,0,1]=3 69 B16R0.154 CCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1818SB3094 [0,1,0,0,0,0|1,0,1]=3 70 B16R0.154 CCCCOCCCNC(=O)CC(=O)OCC WXVL_AK2310SB3094 [0,1,0,0,0,0|2,0,1]=4 71 B16R0.154 CCCCOCCCNC(=O)CC(=O)OCC WXVL_AK2310SB3094 [0,1,0,0,0,0|2,0,1]=4 72 B16R0.195 CCCNC(=O)NCCCCCC(=O)OCC WXVL_AK00504YV0146 [0,1,0,0,0,0|2,0,1]=4 73 B16R0.195 CCCNC(=O)NCCCCCC(=O)OCC WXVL_AK00504YV0146 [0,1,0,0,0,0|2,0,1]=4 74 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2796 [0,1,0,0,0,0|1,0,0]=2 75 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2796 [0,1,0,0,0,0|1,0,0]=2 76 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C WXVL_AK1845SB0342 [0,1,0,0,0,0|2,0,1]=4 77 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C WXVL_AK1845SB0342 [0,1,0,0,0,0|2,0,1]=4 78 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C WXVL_AK1845SB0063 [0,1,0,0,0,0|2,0,0]=3 79 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C WXVL_AK1845SB0063 [0,1,0,0,0,0|2,0,0]=3 80 B16R0.302 CCCCCCCCCCNC(=O)CC(C)O WXVL_AK1845SB3643 [0,1,0,0,0,0|2,0,0]=3 81 B16R0.302 CCCCCCCCCCNC(=O)CC(C)O WXVL_AK1845SB3643 [0,1,0,0,0,0|2,0,0]=3 82 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C WXVL_AK1845SB0085 [0,1,0,0,0,0|3,0,0]=4 83 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C WXVL_AK1845SB0085 [0,1,0,0,0,0|3,0,0]=4 84 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,1,0,0,0,0|2,0,1]=4 85 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,1,0,0,0,0|2,0,1]=4 86 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,1,0,0,0,0|2,0,1]=4 87 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,1,0,0,0,0|2,0,1]=4 88 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [0,1,0,0,0,0|1,0,1]=3 89 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [0,1,0,0,0,0|1,0,1]=3 90 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [0,1,0,0,0,0|1,0,1]=3 91 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [0,1,0,0,0,0|1,0,1]=3 92 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,1,0,0,0,0|1,0,0]=2 93 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,1,0,0,0,0|1,0,0]=2 94 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,1,0,0,0,0|1,0,0]=2 95 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,1,0,0,0,0|1,0,0]=2 96 B16R0.661 CCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1845SB0424 [0,1,0,0,0,0|2,0,1]=4 97 B16R0.661 CCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1845SB0424 [0,1,0,0,0,0|2,0,1]=4 98 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,1,0,0,0,0|2,0,0]=3 99 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,1,0,0,0,0|2,0,0]=3 100 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,1,0,0,0,0|2,0,0]=3 101 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,1,0,0,0,0|2,0,0]=3 102 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,1,0,0,0,0|1,0,0]=2 103 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,1,0,0,0,0|1,0,0]=2 104 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,1,0,0,0,0|1,1,0]=3 105 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,1,0,0,0,0|1,1,0]=3 106 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,1,0,0,0,0|2,0,0]=3 107 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,1,0,0,0,0|2,0,0]=3 108 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1826SB4144 [0,1,0,0,0,0|1,0,1]=3 109 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1826SB4144 [0,1,0,0,0,0|1,0,1]=3 110 B16R0.1183 CCOC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB4144 [0,1,0,0,0,0|2,0,1]=4 111 B16R0.1183 CCOC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB4144 [0,1,0,0,0,0|2,0,1]=4 112 B16R0.5205 CCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0393 [0,1,0,0,0,0|1,0,1]=3 113 B16R0.5205 CCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0393 [0,1,0,0,0,0|1,0,1]=3 114 B16R0.5205 CCOC(=O)CCNC(=O)CCCCCCBr WXVL_AK0465SB1386 [0,1,0,0,0,0|2,0,1]=4 115 B16R0.5205 CCOC(=O)CCNC(=O)CCCCCCBr WXVL_AK0465SB1386 [0,1,0,0,0,0|2,0,1]=4 116 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1845HU0030 [0,1,0,0,0,0|3,0,0]=4 117 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1845HU0030 [0,1,0,0,0,0|3,0,0]=4 118 B16R1.889 CCCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0073 [0,0,0,1,0,0|3,0,0]=4 119 B16R1.889 CCCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0073 [0,0,0,1,0,0|3,0,0]=4 120 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0073 [0,0,0,1,0,0|3,0,0]=4 121 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0073 [0,0,0,1,0,0|3,0,0]=4 122 B16R1.2034 C/C=C/C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0340 [0,0,0,1,0,0|2,0,1]=4 123 B16R1.2034 C/C=C/C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0340 [0,0,0,1,0,0|2,0,1]=4 124 B16R1.2034 CC#CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1240 [0,0,0,1,0,0|2,0,1]=4 125 B16R1.2034 CC#CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1240 [0,0,0,1,0,0|2,0,1]=4 126 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0073 [0,0,0,1,0,0|2,0,0]=3 127 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0073 [0,0,0,1,0,0|2,0,0]=3 128 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0090 [0,0,0,1,0,0|3,0,0]=4 129 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0090 [0,0,0,1,0,0|3,0,0]=4 130 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1267 [0,0,0,1,0,0|3,0,0]=4 131 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1267 [0,0,0,1,0,0|3,0,0]=4 132 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 WXVL_AK1845SB0038 [0,0,0,1,0,0|2,0,0]=3 133 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 WXVL_AK1845SB0038 [0,0,0,1,0,0|2,0,0]=3 134 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [2,0,0,0,0,0|1,0,0]=3 135 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [2,0,0,0,0,0|1,0,0]=3 136 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [2,0,0,0,0,0|1,0,0]=3 137 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [2,0,0,0,0,0|1,0,0]=3 138 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [2,0,0,0,0,0|2,0,0]=4 139 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [2,0,0,0,0,0|2,0,0]=4 140 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [2,0,0,0,0,0|1,0,0]=3 141 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [2,0,0,0,0,0|1,0,0]=3 142 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [2,0,0,0,0,0|1,0,0]=3 143 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [2,0,0,0,0,0|1,0,0]=3 144 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [2,0,0,0,0,0|2,0,0]=4 145 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [2,0,0,0,0,0|2,0,0]=4 146 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [2,0,0,0,0,0|1,0,0]=3 147 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [2,0,0,0,0,0|1,0,0]=3 148 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [2,0,0,0,0,0|2,0,0]=4 149 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [2,0,0,0,0,0|2,0,0]=4 150 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [2,0,0,0,0,0|2,0,0]=4 151 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [2,0,0,0,0,0|2,0,0]=4 152 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [1,1,0,0,0,0|1,0,0]=3 153 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [1,1,0,0,0,0|1,0,0]=3 154 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [1,1,0,0,0,0|1,0,0]=3 155 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [1,1,0,0,0,0|1,0,0]=3 156 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [1,1,0,0,0,0|1,0,0]=3 157 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [1,1,0,0,0,0|1,0,0]=3 158 B15R0.81 O=C(CO)NCCCCCCCCCCO WXVL_AK3148SB2706 [1,1,0,0,0,0|2,0,0]=4 159 B15R0.81 O=C(CO)NCCCCCCCCCCO WXVL_AK3148SB2706 [1,1,0,0,0,0|2,0,0]=4 160 B15R0.84 CCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2796 [1,1,0,0,0,0|1,0,0]=3 161 B15R0.84 CCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2796 [1,1,0,0,0,0|1,0,0]=3 162 B15R0.84 CCCCCCCCCCNC(=O)C(=O)C WXVL_AK1845SB0051 [1,1,0,0,0,0|1,0,1]=4 163 B15R0.84 CCCCCCCCCCNC(=O)C(=O)C WXVL_AK1845SB0051 [1,1,0,0,0,0|1,0,1]=4 164 B15R0.84 CCCCCCCCCCNC(=O)C(C)C WXVL_AK1845SB0052 [1,1,0,0,0,0|1,0,0]=3 165 B15R0.84 CCCCCCCCCCNC(=O)C(C)C WXVL_AK1845SB0052 [1,1,0,0,0,0|1,0,0]=3 166 B15R0.84 CCCCCCCCCCNC(=O)C(C)S WXVL_AK1845SB2708 [1,1,0,0,0,0|1,0,0]=3 167 B15R0.84 CCCCCCCCCCNC(=O)C(C)S WXVL_AK1845SB2708 [1,1,0,0,0,0|1,0,0]=3 168 B15R0.84 CCCCCCCCCCNC(=O)C(F)F WXVL_AK1845SB0079 [1,1,0,0,0,0|2,0,0]=4 169 B15R0.84 CCCCCCCCCCNC(=O)C(F)F WXVL_AK1845SB0079 [1,1,0,0,0,0|2,0,0]=4 170 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1845SB1085 [1,1,0,0,0,0|1,0,0]=3 171 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1845SB1085 [1,1,0,0,0,0|1,0,0]=3 172 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC WXVL_AK0076SB1209 [1,1,0,0,0,0|1,0,1]=4 173 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC WXVL_AK0076SB1209 [1,1,0,0,0,0|1,0,1]=4 174 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC WXVL_AK00504SB3124 [1,1,0,0,0,0|1,0,1]=4 175 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC WXVL_AK00504SB3124 [1,1,0,0,0,0|1,0,1]=4 176 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC WXVL_AK1845HU0028 [1,1,0,0,0,0|2,0,0]=4 177 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC WXVL_AK1845HU0028 [1,1,0,0,0,0|2,0,0]=4 178 B15R0.324 CCCCCCCCCNC(=O)C(=O)CC WXVL_AK1826SB0344 [1,1,0,0,0,0|1,0,1]=4 179 B15R0.324 CCCCCCCCCNC(=O)C(=O)CC WXVL_AK1826SB0344 [1,1,0,0,0,0|1,0,1]=4 180 B15R0.384 CCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0073 [1,1,0,0,0,0|1,0,1]=4 181 B15R0.384 CCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0073 [1,1,0,0,0,0|1,0,1]=4 182 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC WXVL_AK1818SB2790 [1,1,0,0,0,0|1,0,1]=4 183 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC WXVL_AK1818SB2790 [1,1,0,0,0,0|1,0,1]=4 184 B15R0.69 CCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0490 [1,1,0,0,0,0|1,0,0]=3 185 B15R0.69 CCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0490 [1,1,0,0,0,0|1,0,0]=3 186 B15R0.69 CCCCCCCCCNC(=O)CC(C)C WXVL_AK1826SB0063 [1,1,0,0,0,0|2,0,0]=4 187 B15R0.69 CCCCCCCCCNC(=O)CC(C)C WXVL_AK1826SB0063 [1,1,0,0,0,0|2,0,0]=4 188 B15R0.69 CCCCCCCCCNC(=O)CC(C)O WXVL_AK1826SB3643 [1,1,0,0,0,0|2,0,0]=4 189 B15R0.69 CCCCCCCCCNC(=O)CC(C)O WXVL_AK1826SB3643 [1,1,0,0,0,0|2,0,0]=4 190 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0549 [1,1,0,0,0,0|2,0,0]=4 191 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0549 [1,1,0,0,0,0|2,0,0]=4 192 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC WXVL_AK1818SB4144 [1,1,0,0,0,0|1,0,1]=4 193 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC WXVL_AK1818SB4144 [1,1,0,0,0,0|1,0,1]=4 194 B17R0.116 CC(C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0063 [0,2,0,0,0,0|2,0,0]=4 195 B17R0.116 CC(C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0063 [0,2,0,0,0,0|2,0,0]=4 196 B17R0.116 CC(C)NC(=O)CCCCCCCCCCCBr WXVL_AK0030SB0603 [0,2,0,0,0,0|1,0,0]=3 197 B17R0.116 CC(C)NC(=O)CCCCCCCCCCCBr WXVL_AK0030SB0603 [0,2,0,0,0,0|1,0,0]=3 198 B17R0.116 CC(O)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB3643 [0,2,0,0,0,0|2,0,0]=4 199 B17R0.116 CC(O)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB3643 [0,2,0,0,0,0|2,0,0]=4 200 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0547 [0,2,0,0,0,0|1,0,0]=3 201 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0547 [0,2,0,0,0,0|1,0,0]=3 202 B17R0.196 C=CCNC(=O)CCCCCCCCCCCBr WXVL_AK00561SB0603 [0,2,0,0,0,0|1,0,1]=4 203 B17R0.196 C=CCNC(=O)CCCCCCCCCCCBr WXVL_AK00561SB0603 [0,2,0,0,0,0|1,0,1]=4 204 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC WXVL_AK00561SB0547 [0,2,0,0,0,0|1,0,1]=4 205 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC WXVL_AK00561SB0547 [0,2,0,0,0,0|1,0,1]=4 206 B17R0.196 CCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0547 [0,2,0,0,0,0|1,0,1]=4 207 B17R0.196 CCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0547 [0,2,0,0,0,0|1,0,1]=4 208 B17R0.196 CCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0547 [0,2,0,0,0,0|1,0,0]=3 209 B17R0.196 CCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0547 [0,2,0,0,0,0|1,0,0]=3 210 B17R0.196 CCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0547 [0,2,0,0,0,0|1,0,0]=3 211 B17R0.196 CCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0547 [0,2,0,0,0,0|1,0,0]=3 212 B17R0.196 CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00504SB0603 [0,2,0,0,0,0|1,0,0]=3 213 B17R0.196 CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00504SB0603 [0,2,0,0,0,0|1,0,0]=3 214 B17R0.196 CCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0091 [0,2,0,0,0,0|1,0,0]=3 215 B17R0.196 CCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0091 [0,2,0,0,0,0|1,0,0]=3 216 B17R0.196 CCSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0002 [0,2,0,0,0,0|1,1,0]=4 217 B17R0.196 CCSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0002 [0,2,0,0,0,0|1,1,0]=4 218 B17R0.196 COCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0156 [0,2,0,0,0,0|2,0,0]=4 219 B17R0.196 COCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0156 [0,2,0,0,0,0|2,0,0]=4 220 B17R0.196 CSCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0361 [0,2,0,0,0,0|2,0,0]=4 221 B17R0.196 CSCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0361 [0,2,0,0,0,0|2,0,0]=4 222 B17R0.196 N#CCNC(=O)CCCCCCCCCCCBr WXVL_AK0683SB0603 [0,2,0,0,0,0|1,0,1]=4 223 B17R0.196 N#CCNC(=O)CCCCCCCCCCCBr WXVL_AK0683SB0603 [0,2,0,0,0,0|1,0,1]=4 224 B17R0.196 O=C(CCCCCCCCCCCBr)NCCF WXVL_AK00466SB0603 [0,2,0,0,0,0|1,0,0]=3 225 B17R0.196 O=C(CCCCCCCCCCCBr)NCCF WXVL_AK00466SB0603 [0,2,0,0,0,0|1,0,0]=3 226 B17R0.196 O=C(NCCCl)NCCCCCCCCCCO WXVL_AK3148YV0092 [0,2,0,0,0,0|2,0,0]=4 227 B17R0.196 O=C(NCCCl)NCCCCCCCCCCO WXVL_AK3148YV0092 [0,2,0,0,0,0|2,0,0]=4 228 B17R0.231 CCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1826SB3094 [0,2,0,0,0,0|0,0,1]=3 229 B17R0.231 CCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1826SB3094 [0,2,0,0,0,0|0,0,1]=3 230 B17R0.231 CCOC(=O)CC(=O)NCCCCCCCCO WXVL_AK4142SB3094 [0,2,0,0,0,0|1,0,1]=4 231 B17R0.231 CCOC(=O)CC(=O)NCCCCCCCCO WXVL_AK4142SB3094 [0,2,0,0,0,0|1,0,1]=4 232 B17R0.250 C/C=C/C(=O)NCCCCCCCCCCCC WXVL_AK1886SB0340 [0,2,0,0,0,0|1,0,1]=4 233 B17R0.250 C/C=C/C(=O)NCCCCCCCCCCCC WXVL_AK1886SB0340 [0,2,0,0,0,0|1,0,1]=4 234 B17R0.250 CC#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB1240 [0,2,0,0,0,0|1,0,1]=4 235 B17R0.250 CC#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB1240 [0,2,0,0,0,0|1,0,1]=4 236 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,2,0,0,0,0|1,0,0]=3 237 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,2,0,0,0,0|1,0,0]=3 238 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,2,0,0,0,0|1,0,0]=3 239 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,2,0,0,0,0|1,0,0]=3 240 B17R0.250 CCCCCCCCCCCCNC(=O)COC WXVL_AK1886SB0090 [0,2,0,0,0,0|2,0,0]=4 241 B17R0.250 CCCCCCCCCCCCNC(=O)COC WXVL_AK1886SB0090 [0,2,0,0,0,0|2,0,0]=4 242 B17R0.250 CCCCCCCCCCCCNC(=O)CSC WXVL_AK1886SB1267 [0,2,0,0,0,0|2,0,0]=4 243 B17R0.250 CCCCCCCCCCCCNC(=O)CSC WXVL_AK1886SB1267 [0,2,0,0,0,0|2,0,0]=4 244 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [0,2,0,0,0,0|1,0,0]=3 245 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [0,2,0,0,0,0|1,0,0]=3 246 B17R0.383 CCCCNC(=O)NCCCCCC(=O)OCC WXVL_AK00588YV0146 [0,2,0,0,0,0|1,0,1]=4 247 B17R0.383 CCCCNC(=O)NCCCCCC(=O)OCC WXVL_AK00588YV0146 [0,2,0,0,0,0|1,0,1]=4 248 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0409 [0,2,0,0,0,0|0,0,1]=3 249 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0409 [0,2,0,0,0,0|0,0,1]=3 250 B17R0.1022 CCOC(=O)CCNC(=O)CCCCCCCBr WXVL_AK0465SB0559 [0,2,0,0,0,0|1,0,1]=4 251 B17R0.1022 CCOC(=O)CCNC(=O)CCCCCCCBr WXVL_AK0465SB0559 [0,2,0,0,0,0|1,0,1]=4 252 B17R0.1022 CCOC(=O)CCNC(=O)CCCCCCCO WXVL_AK0465SB1306 [0,2,0,0,0,0|1,0,1]=4 253 B17R0.1022 CCOC(=O)CCNC(=O)CCCCCCCO WXVL_AK0465SB1306 [0,2,0,0,0,0|1,0,1]=4 254 B17R0.3112 CCC(=O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0344 [0,2,0,0,0,0|2,0,0]=4 255 B17R0.3112 CCC(=O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0344 [0,2,0,0,0,0|2,0,0]=4 256 B17R0.3112 CCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0054 [0,2,0,0,0,0|2,0,0]=4 257 B17R0.3112 CCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0054 [0,2,0,0,0,0|2,0,0]=4 258 B17R0.3112 CC[C@@H](C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB00054 [0,2,0,0,0,0|2,0,0]=4 259 B17R0.3112 CC[C@@H](C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB00054 [0,2,0,0,0,0|2,0,0]=4 260 B17R0.3112 CC[C@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3573 [0,2,0,0,0,0|2,0,0]=4 261 B17R0.3112 CC[C@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3573 [0,2,0,0,0,0|2,0,0]=4 262 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0325 [0,2,0,0,0,0|2,0,0]=4 263 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0325 [0,2,0,0,0,0|2,0,0]=4 264 B17R0.13602 CC/C=C(\C)/C(=O)NCCCCCCCCCC WXVL_AK1845SB0037 [0,2,0,0,0,0|2,0,0]=4 265 B17R0.13602 CC/C=C(\C)/C(=O)NCCCCCCCCCC WXVL_AK1845SB0037 [0,2,0,0,0,0|2,0,0]=4 266 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB2796 [0,2,0,0,0,0|1,0,1]=4 267 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB2796 [0,2,0,0,0,0|1,0,1]=4 268 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB2796 [0,2,0,0,0,0|1,0,0]=3 269 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB2796 [0,2,0,0,0,0|1,0,0]=3 270 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1845SB4144 [0,2,0,0,0,0|0,0,1]=3 271 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1845SB4144 [0,2,0,0,0,0|0,0,1]=3 272 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC WXVL_AK1845SB0352 [0,2,0,0,0,0|2,0,0]=4 273 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC WXVL_AK1845SB0352 [0,2,0,0,0,0|2,0,0]=4 274 B17R0.13602 CCCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1845SB3627 [0,2,0,0,0,0|2,0,0]=4 275 B17R0.13602 CCCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1845SB3627 [0,2,0,0,0,0|2,0,0]=4 276 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)OCC WXVL_AK1818YV0151 [0,2,0,0,0,0|1,0,1]=4 277 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)OCC WXVL_AK1818YV0151 [0,2,0,0,0,0|1,0,1]=4 278 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB2796 [0,2,0,0,0,0|1,0,0]=3 279 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB2796 [0,2,0,0,0,0|1,0,0]=3 280 B17R0.191 CCCCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK1845SB2578 [0,2,0,0,0,0|2,0,0]=4 281 B17R0.191 CCCCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK1845SB2578 [0,2,0,0,0,0|2,0,0]=4 282 B17R0.191 CCCCCCCCCCNC(=O)C(O)C(C)C WXVL_AK1845SB1147 [0,2,0,0,0,0|2,0,0]=4 283 B17R0.191 CCCCCCCCCCNC(=O)C(O)C(C)C WXVL_AK1845SB1147 [0,2,0,0,0,0|2,0,0]=4 284 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(C)CC WXVL_AK1845SB0355 [0,2,0,0,0,0|2,0,0]=4 285 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(C)CC WXVL_AK1845SB0355 [0,2,0,0,0,0|2,0,0]=4 286 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(O)CC WXVL_AK1845SB3009 [0,2,0,0,0,0|2,0,0]=4 287 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(O)CC WXVL_AK1845SB3009 [0,2,0,0,0,0|2,0,0]=4 288 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB2796 [0,2,0,0,0,0|1,0,0]=3 289 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB2796 [0,2,0,0,0,0|1,0,0]=3 290 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)CC WXVL_AK1845SB0055 [0,2,0,0,0,0|2,0,0]=4 291 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)CC WXVL_AK1845SB0055 [0,2,0,0,0,0|2,0,0]=4 292 B17R0.3131 CCCCCCCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0409 [0,2,0,0,0,0|1,0,1]=4 293 B17R0.3131 CCCCCCCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0409 [0,2,0,0,0,0|1,0,1]=4 294 B17R0.41417 CCCCCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK1818HU0462 [0,2,0,0,0,0|2,0,0]=4 295 B17R0.41417 CCCCCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK1818HU0462 [0,2,0,0,0,0|2,0,0]=4 296 B17R0.8094 CCCCC(C)CCC(=O)NCCC(=O)OCC WXVL_AK0465SB1315 [0,2,0,0,0,0|1,0,1]=4 297 B17R0.8094 CCCCC(C)CCC(=O)NCCC(=O)OCC WXVL_AK0465SB1315 [0,2,0,0,0,0|1,0,1]=4 298 B17R0.13601 C#C[C@@H](C)NC(=O)CCCCCCCCCCC WXVL_AK00735SB2796 [0,2,0,0,0,0|1,0,0]=3 299 B17R0.13601 C#C[C@@H](C)NC(=O)CCCCCCCCCCC WXVL_AK00735SB2796 [0,2,0,0,0,0|1,0,0]=3 300 B17R0.13601 C=CC(C)NC(=O)CCCCCCCCCCC WXVL_AK00769SB2796 [0,2,0,0,0,0|1,0,0]=3 301 B17R0.13601 C=CC(C)NC(=O)CCCCCCCCCCC WXVL_AK00769SB2796 [0,2,0,0,0,0|1,0,0]=3 302 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB2796 [0,2,0,0,0,0|1,0,0]=3 303 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB2796 [0,2,0,0,0,0|1,0,0]=3 304 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2796 [0,2,0,0,0,0|1,0,0]=3 305 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2796 [0,2,0,0,0,0|1,0,0]=3 306 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2796 [0,2,0,0,0,0|1,0,0]=3 307 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2796 [0,2,0,0,0,0|1,0,0]=3 308 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2796 [0,2,0,0,0,0|1,0,0]=3 309 B17R0.13601 CCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2796 [0,2,0,0,0,0|1,0,0]=3 310 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC WXVL_AK1845SB0353 [0,2,0,0,0,0|2,0,0]=4 311 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC WXVL_AK1845SB0353 [0,2,0,0,0,0|2,0,0]=4 312 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC WXVL_AK1845SB4092 [0,2,0,0,0,0|2,0,0]=4 313 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC WXVL_AK1845SB4092 [0,2,0,0,0,0|2,0,0]=4 314 B17R0.13601 CCCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1845SB8650 [0,2,0,0,0,0|2,0,0]=4 315 B17R0.13601 CCCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1845SB8650 [0,2,0,0,0,0|2,0,0]=4 316 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB2796 [0,2,0,0,0,0|1,0,0]=3 317 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB2796 [0,2,0,0,0,0|1,0,0]=3 318 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C WXVL_AK1845SB0062 [0,2,0,0,0,0|2,0,0]=4 319 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C WXVL_AK1845SB0062 [0,2,0,0,0,0|2,0,0]=4 320 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)O WXVL_AK1845SB0163 [0,2,0,0,0,0|2,0,0]=4 321 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)O WXVL_AK1845SB0163 [0,2,0,0,0,0|2,0,0]=4 322 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC WXVL_AK0761SB2796 [0,2,0,0,0,0|1,0,0]=3 323 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC WXVL_AK0761SB2796 [0,2,0,0,0,0|1,0,0]=3 324 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2796 [0,2,0,0,0,0|1,0,1]=4 325 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB2796 [0,2,0,0,0,0|1,0,1]=4 326 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB2796 [0,2,0,0,0,0|1,0,0]=3 327 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB2796 [0,2,0,0,0,0|1,0,0]=3 328 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB2796 [0,2,0,0,0,0|1,0,0]=3 329 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB2796 [0,2,0,0,0,0|1,0,0]=3 330 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB2796 [0,2,0,0,0,0|1,0,0]=3 331 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB2796 [0,2,0,0,0,0|1,0,0]=3 332 B17R0.192 CCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2796 [0,2,0,0,0,0|1,0,0]=3 333 B17R0.192 CCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2796 [0,2,0,0,0,0|1,0,0]=3 334 B17R0.192 CCCCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK1845SB0036 [0,2,0,0,0,0|2,0,0]=4 335 B17R0.192 CCCCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK1845SB0036 [0,2,0,0,0,0|2,0,0]=4 336 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [0,2,0,0,0,0|2,0,0]=4 337 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1845SB0072 [0,2,0,0,0,0|2,0,0]=4 338 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C WXVL_AK1845SB0354 [0,2,0,0,0,0|2,0,0]=4 339 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C WXVL_AK1845SB0354 [0,2,0,0,0,0|2,0,0]=4 340 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C WXVL_AK1845SB00052 [0,2,0,0,0,0|2,0,0]=4 341 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C WXVL_AK1845SB00052 [0,2,0,0,0,0|2,0,0]=4 342 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C WXVL_AK1845SB2824 [0,2,0,0,0,0|1,0,1]=4 343 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C WXVL_AK1845SB2824 [0,2,0,0,0,0|1,0,1]=4 344 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C WXVL_AK1845SB0213 [0,2,0,0,0,0|1,0,0]=3 345 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C WXVL_AK1845SB0213 [0,2,0,0,0,0|1,0,0]=3 346 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2709 [0,2,0,0,0,0|2,0,0]=4 347 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2709 [0,2,0,0,0,0|2,0,0]=4 348 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC WXVL_AK3109SB2796 [0,2,0,0,0,0|1,0,0]=3 349 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC WXVL_AK3109SB2796 [0,2,0,0,0,0|1,0,0]=3 350 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2920 [0,2,0,0,0,0|2,0,0]=4 351 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2920 [0,2,0,0,0,0|2,0,0]=4 352 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC WXVL_AK00138SB2796 [0,2,0,0,0,0|1,0,0]=3 353 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC WXVL_AK00138SB2796 [0,2,0,0,0,0|1,0,0]=3 354 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC WXVL_AK1845SB0349 [0,2,0,0,0,0|2,0,0]=4 355 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC WXVL_AK1845SB0349 [0,2,0,0,0,0|2,0,0]=4 356 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB2796 [0,2,0,0,0,0|1,0,0]=3 357 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB2796 [0,2,0,0,0,0|1,0,0]=3 358 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,2,0,0,0,0|1,0,0]=3 359 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,2,0,0,0,0|1,0,0]=3 360 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,2,0,0,0,0|1,0,0]=3 361 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,2,0,0,0,0|1,0,0]=3 362 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2796 [0,2,0,0,0,0|1,0,0]=3 363 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2796 [0,2,0,0,0,0|1,0,0]=3 364 B17R0.3110 CCCCCCCCCCNC(=O)/C=C/OCC WXVL_AK1845SB3226 [0,2,0,0,0,0|1,0,0]=3 365 B17R0.3110 CCCCCCCCCCNC(=O)/C=C/OCC WXVL_AK1845SB3226 [0,2,0,0,0,0|1,0,0]=3 366 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,2,0,0,0,0|2,0,0]=4 367 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,2,0,0,0,0|2,0,0]=4 368 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,2,0,0,0,0|2,0,0]=4 369 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,2,0,0,0,0|2,0,0]=4 370 B17R0.3110 CCCCCCCCCCNC(=O)NCCCCl WXVL_AK1845YV0130 [0,2,0,0,0,0|2,0,0]=4 371 B17R0.3110 CCCCCCCCCCNC(=O)NCCCCl WXVL_AK1845YV0130 [0,2,0,0,0,0|2,0,0]=4 372 B15R1.975 CCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0064 [1,0,0,1,0,0|2,0,0]=4 373 B15R1.975 CCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0064 [1,0,0,1,0,0|2,0,0]=4 374 B15R1.1091 CCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0064 [1,0,0,1,0,0|2,0,0]=4 375 B15R1.1091 CCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0064 [1,0,0,1,0,0|2,0,0]=4 376 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0064 [1,0,0,1,0,0|1,0,0]=3 377 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0064 [1,0,0,1,0,0|1,0,0]=3 378 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 WXVL_AK2380SB2706 [1,0,0,1,0,0|2,0,0]=4 379 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 WXVL_AK2380SB2706 [1,0,0,1,0,0|2,0,0]=4 380 B15R1.778 CCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0073 [1,0,0,1,0,0|2,0,0]=4 381 B15R1.778 CCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0073 [1,0,0,1,0,0|2,0,0]=4 382 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 WXVL_AK1826SB0038 [1,0,0,1,0,0|2,0,0]=4 383 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 WXVL_AK1826SB0038 [1,0,0,1,0,0|2,0,0]=4 384 B17R1.11019 O=C(NCCCCCCCCCCO)C1CC1 WXVL_AK3148SB0038 [0,1,0,1,0,0|2,0,0]=4 385 B17R1.11019 O=C(NCCCCCCCCCCO)C1CC1 WXVL_AK3148SB0038 [0,1,0,1,0,0|2,0,0]=4 386 B17R1.2197 CCC(=O)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0344 [0,1,0,1,0,0|2,0,0]=4 387 B17R1.2197 CCC(=O)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0344 [0,1,0,1,0,0|2,0,0]=4 388 B17R1.2197 CCC(C)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0054 [0,1,0,1,0,0|2,0,0]=4 389 B17R1.2197 CCC(C)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0054 [0,1,0,1,0,0|2,0,0]=4 390 B17R1.2197 CC[C@@H](C)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB00054 [0,1,0,1,0,0|2,0,0]=4 391 B17R1.2197 CC[C@@H](C)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB00054 [0,1,0,1,0,0|2,0,0]=4 392 B17R1.2197 CC[C@H](O)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB3573 [0,1,0,1,0,0|2,0,0]=4 393 B17R1.2197 CC[C@H](O)C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB3573 [0,1,0,1,0,0|2,0,0]=4 394 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 WXVL_AK1845SB0042 [0,1,0,1,0,0|2,0,0]=4 395 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 WXVL_AK1845SB0042 [0,1,0,1,0,0|2,0,0]=4 396 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)Br WXVL_AK1845SB5517 [0,1,0,1,0,0|2,0,0]=4 397 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)Br WXVL_AK1845SB5517 [0,1,0,1,0,0|2,0,0]=4 398 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)C WXVL_AK1845SB0040 [0,1,0,1,0,0|2,0,0]=4 399 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)C WXVL_AK1845SB0040 [0,1,0,1,0,0|2,0,0]=4 400 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)F WXVL_AK1845SB0218 [0,1,0,1,0,0|2,0,0]=4 401 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)F WXVL_AK1845SB0218 [0,1,0,1,0,0|2,0,0]=4 402 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)O WXVL_AK1845SB2965 [0,1,0,1,0,0|2,0,0]=4 403 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)O WXVL_AK1845SB2965 [0,1,0,1,0,0|2,0,0]=4 404 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C WXVL_AK1845SB0041 [0,1,0,1,0,0|2,0,0]=4 405 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C WXVL_AK1845SB0041 [0,1,0,1,0,0|2,0,0]=4 406 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1845SB1245 [0,1,0,1,0,0|2,0,0]=4 407 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1845SB1245 [0,1,0,1,0,0|2,0,0]=4 408 B17R1.73265 CCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1845SB00019 [0,1,0,1,0,0|2,0,0]=4 409 B17R1.73265 CCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1845SB00019 [0,1,0,1,0,0|2,0,0]=4 410 B17R1.22036 CCCC(=O)N1CCCCC1CC(=O)OCC WXVL_AN8323SB0073 [0,1,0,1,0,0|1,0,1]=4 411 B17R1.40 CCCCCCCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0409 [0,1,0,1,0,0|1,0,1]=4 412 B17R1.22068 CCOC(=O)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB3094 [0,1,0,1,0,0|1,0,1]=4 413 B17R1.22068 CCOC(=O)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB3094 [0,1,0,1,0,0|1,0,1]=4 414 B17R1.26120 CCCCC1CCCN1C(=O)CC(=O)OCC WXVL_AN00739SB3094 [0,1,0,1,0,0|1,0,1]=4 415 B17R1.1576 CCOCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0091 [0,1,0,1,0,0|2,0,0]=4 416 B17R1.1576 CCOCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0091 [0,1,0,1,0,0|2,0,0]=4 417 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2796 [0,1,0,1,0,0|1,0,0]=3 418 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2796 [0,1,0,1,0,0|1,0,0]=3 419 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 WXVL_AK1845SB0155 [0,1,0,1,0,0|2,0,0]=4 420 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 WXVL_AK1845SB0155 [0,1,0,1,0,0|2,0,0]=4 421 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0063 [0,1,0,1,0,0|2,0,0]=4 422 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0063 [0,1,0,1,0,0|2,0,0]=4 423 B17R1.103871 CC(O)CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB3643 [0,1,0,1,0,0|2,0,0]=4 424 B17R1.103871 CC(O)CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB3643 [0,1,0,1,0,0|2,0,0]=4 425 B17R1.1515 CCOCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0091 [0,1,0,1,0,0|2,0,0]=4 426 B17R1.1515 CCOCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0091 [0,1,0,1,0,0|2,0,0]=4 427 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0091 [0,1,0,1,0,0|1,0,0]=3 428 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0091 [0,1,0,1,0,0|1,0,0]=3 429 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0002 [0,1,0,1,0,0|1,1,0]=4 430 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0002 [0,1,0,1,0,0|1,1,0]=4 431 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0156 [0,1,0,1,0,0|2,0,0]=4 432 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0156 [0,1,0,1,0,0|2,0,0]=4 433 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0361 [0,1,0,1,0,0|2,0,0]=4 434 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0361 [0,1,0,1,0,0|2,0,0]=4 435 B17R1.30208 O=C(NCCCl)NCCC1CCCCCCC1 WXVL_AK2380YV0092 [0,1,0,1,0,0|2,0,0]=4 436 B17R1.30208 O=C(NCCCl)NCCC1CCCCCCC1 WXVL_AK2380YV0092 [0,1,0,1,0,0|2,0,0]=4 437 B17R1.5024 CCOC(=O)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB4144 [0,1,0,1,0,0|1,0,1]=4 438 B17R1.5024 CCOC(=O)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB4144 [0,1,0,1,0,0|1,0,1]=4 439 B17R1.992 CCOC(=O)CCNC(=O)CCC1CCCC1 WXVL_AK0465SB0045 [0,1,0,1,0,0|1,0,1]=4 440 B17R1.992 CCOC(=O)CCNC(=O)CCC1CCCC1 WXVL_AK0465SB0045 [0,1,0,1,0,0|1,0,1]=4 441 B17R1.126607 CCOC(=O)CCNC(=O)C1CCCCCC1 WXVL_AK0465SB0385 [0,1,0,1,0,0|1,0,1]=4 442 B17R1.126607 CCOC(=O)CCNC(=O)C1CCCCCC1 WXVL_AK0465SB0385 [0,1,0,1,0,0|1,0,1]=4 443 B17R2.295062 O=C(NCCC1CCCCCCC1)C2CC2 WXVL_AK2380SB0038 [0,0,0,2,0,0|2,0,0]=4 444 B17R2.295062 O=C(NCCC1CCCCCCC1)C2CC2 WXVL_AK2380SB0038 [0,0,0,2,0,0|2,0,0]=4