0 B14R0.393 C#CCC(=O)NCCCCCCCCC WXVL_AK1826SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B14R0.393 C#CCC(=O)NCCCCCCCCC WXVL_AK1826SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,0,0,0,0,0|2,0,1]=3 3 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,0,0,0,0,0|2,0,1]=3 4 B14R0.393 C/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB0340 [0,0,0,0,0,0|3,0,1]=4 5 B14R0.393 C/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB0340 [0,0,0,0,0,0|3,0,1]=4 6 B14R0.393 C=CCC(=O)NCCCCCCCCC WXVL_AK1826SB2732 [0,0,0,0,0,0|2,0,2]=4 7 B14R0.393 C=CCC(=O)NCCCCCCCCC WXVL_AK1826SB2732 [0,0,0,0,0,0|2,0,2]=4 8 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,0,0,0,0,0|1,0,2]=3 9 B14R0.393 C=CCCCCCCCCC(=O)NCC WXVL_AK00476SB0481 [0,0,0,0,0,0|1,0,2]=3 10 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,0,0,0,0,0|2,0,1]=3 11 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,0,0,0,0,0|2,0,1]=3 12 B14R0.393 CC#CC(=O)NCCCCCCCCO WXVL_AK4142SB1240 [0,0,0,0,0,0|3,0,1]=4 13 B14R0.393 CC#CC(=O)NCCCCCCCCO WXVL_AK4142SB1240 [0,0,0,0,0,0|3,0,1]=4 14 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,0,0,0,0,0|3,0,0]=3 15 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,0,0,0,0,0|3,0,0]=3 16 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,0,0,0,0,0|1,0,0]=1 17 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,0,0,0,0,0|1,0,0]=1 18 B14R0.393 CCCCCCCCCNC(=O)CC#N WXVL_AK1826SB0057 [0,0,0,0,0,0|3,0,1]=4 19 B14R0.393 CCCCCCCCCNC(=O)CC#N WXVL_AK1826SB0057 [0,0,0,0,0,0|3,0,1]=4 20 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,0,0,0,0,0|2,0,0]=2 21 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,0,0,0,0,0|2,0,0]=2 22 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,0,0,0,0,0|3,0,0]=3 23 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,0,0,0,0,0|3,0,0]=3 24 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,0,0,0,0,0|3,0,0]=3 25 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,0,0,0,0,0|3,0,0]=3 26 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,0,0,0,0,0|4,0,0]=4 27 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,0,0,0,0,0|4,0,0]=4 28 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,0,0,0,0,0|4,0,0]=4 29 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,0,0,0,0,0|4,0,0]=4 30 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [1,0,0,0,0,0|2,0,1]=4 31 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [1,0,0,0,0,0|2,0,1]=4 32 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [1,0,0,0,0,0|2,0,1]=4 33 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [1,0,0,0,0,0|2,0,1]=4 34 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [1,0,0,0,0,0|1,0,0]=2 35 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [1,0,0,0,0,0|1,0,0]=2 36 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [1,0,0,0,0,0|2,0,0]=3 37 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [1,0,0,0,0,0|2,0,0]=3 38 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [1,0,0,0,0,0|3,0,0]=4 39 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [1,0,0,0,0,0|3,0,0]=4 40 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [1,0,0,0,0,0|3,0,0]=4 41 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [1,0,0,0,0,0|3,0,0]=4 42 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [1,0,0,0,0,0|2,0,0]=3 43 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [1,0,0,0,0,0|2,0,0]=3 44 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [1,0,0,0,0,0|3,0,0]=4 45 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [1,0,0,0,0,0|3,0,0]=4 46 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [1,0,0,0,0,0|1,0,2]=4 47 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [1,0,0,0,0,0|1,0,2]=4 48 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [1,0,0,0,0,0|1,0,2]=4 49 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [1,0,0,0,0,0|1,0,2]=4 50 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [1,0,0,0,0,0|2,0,0]=3 51 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [1,0,0,0,0,0|2,0,0]=3 52 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [1,0,0,0,0,0|1,0,0]=2 53 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [1,0,0,0,0,0|1,0,0]=2 54 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [1,0,0,0,0,0|1,0,0]=2 55 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [1,0,0,0,0,0|1,0,0]=2 56 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [1,0,0,0,0,0|2,0,0]=3 57 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [1,0,0,0,0,0|2,0,0]=3 58 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [1,0,0,0,0,0|3,0,0]=4 59 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [1,0,0,0,0,0|3,0,0]=4 60 B15R0.18 CCOC(=O)CCNC(=O)CCCCCBr WXVL_AK0465SB2192 [0,1,0,0,0,0|2,0,1]=4 61 B15R0.18 CCOC(=O)CCNC(=O)CCCCCBr WXVL_AK0465SB2192 [0,1,0,0,0,0|2,0,1]=4 62 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO WXVL_AK0465SB2973 [0,1,0,0,0,0|2,0,1]=4 63 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO WXVL_AK0465SB2973 [0,1,0,0,0,0|2,0,1]=4 64 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0481 [0,1,0,0,0,0|1,0,2]=4 65 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0481 [0,1,0,0,0,0|1,0,2]=4 66 B15R0.69 CC(C)CC(=O)NCCCCCCCCO WXVL_AK4142SB0063 [0,1,0,0,0,0|3,0,0]=4 67 B15R0.69 CC(C)CC(=O)NCCCCCCCCO WXVL_AK4142SB0063 [0,1,0,0,0,0|3,0,0]=4 68 B15R0.69 CC(O)CC(=O)NCCCCCCCCO WXVL_AK4142SB3643 [0,1,0,0,0,0|3,0,0]=4 69 B15R0.69 CC(O)CC(=O)NCCCCCCCCO WXVL_AK4142SB3643 [0,1,0,0,0,0|3,0,0]=4 70 B15R0.69 CCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0490 [0,1,0,0,0,0|1,0,0]=2 71 B15R0.69 CCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0490 [0,1,0,0,0,0|1,0,0]=2 72 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C WXVL_AK1826SB0342 [0,1,0,0,0,0|2,0,1]=4 73 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C WXVL_AK1826SB0342 [0,1,0,0,0,0|2,0,1]=4 74 B15R0.69 CCCCCCCCCNC(=O)CC(C)C WXVL_AK1826SB0063 [0,1,0,0,0,0|2,0,0]=3 75 B15R0.69 CCCCCCCCCNC(=O)CC(C)C WXVL_AK1826SB0063 [0,1,0,0,0,0|2,0,0]=3 76 B15R0.69 CCCCCCCCCNC(=O)CC(C)O WXVL_AK1826SB3643 [0,1,0,0,0,0|2,0,0]=3 77 B15R0.69 CCCCCCCCCNC(=O)CC(C)O WXVL_AK1826SB3643 [0,1,0,0,0,0|2,0,0]=3 78 B15R0.69 CCCCCCCCCNC(=O)CN(C)C WXVL_AK1826SB0085 [0,1,0,0,0,0|3,0,0]=4 79 B15R0.69 CCCCCCCCCNC(=O)CN(C)C WXVL_AK1826SB0085 [0,1,0,0,0,0|3,0,0]=4 80 B15R0.136 CCCCCCNC(=O)NCC(=O)OCC WXVL_AK0286YV0151 [0,1,0,0,0,0|2,0,1]=4 81 B15R0.136 CCCCCCNC(=O)NCC(=O)OCC WXVL_AK0286YV0151 [0,1,0,0,0,0|2,0,1]=4 82 B15R0.324 C/C=C(\C)/C(=O)NCCCCCCCCC WXVL_AK1826SB0343 [0,1,0,0,0,0|2,0,1]=4 83 B15R0.324 C/C=C(\C)/C(=O)NCCCCCCCCC WXVL_AK1826SB0343 [0,1,0,0,0,0|2,0,1]=4 84 B15R0.324 CCC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0344 [0,1,0,0,0,0|3,0,0]=4 85 B15R0.324 CCC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB0344 [0,1,0,0,0,0|3,0,0]=4 86 B15R0.324 CCC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0054 [0,1,0,0,0,0|3,0,0]=4 87 B15R0.324 CCC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0054 [0,1,0,0,0,0|3,0,0]=4 88 B15R0.324 CCCCCCCCCNC(=O)C(=O)CC WXVL_AK1826SB0344 [0,1,0,0,0,0|2,0,0]=3 89 B15R0.324 CCCCCCCCCNC(=O)C(=O)CC WXVL_AK1826SB0344 [0,1,0,0,0,0|2,0,0]=3 90 B15R0.324 CCCCCCCCCNC(=O)C(C)CC WXVL_AK1826SB0054 [0,1,0,0,0,0|2,0,0]=3 91 B15R0.324 CCCCCCCCCNC(=O)C(C)CC WXVL_AK1826SB0054 [0,1,0,0,0,0|2,0,0]=3 92 B15R0.324 CCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1826SB2926 [0,1,0,0,0,0|3,0,0]=4 93 B15R0.324 CCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1826SB2926 [0,1,0,0,0,0|3,0,0]=4 94 B15R0.324 CCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1826SB3573 [0,1,0,0,0,0|2,0,0]=3 95 B15R0.324 CCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1826SB3573 [0,1,0,0,0,0|2,0,0]=3 96 B15R0.324 CCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1826SB00054 [0,1,0,0,0,0|2,0,0]=3 97 B15R0.324 CCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1826SB00054 [0,1,0,0,0,0|2,0,0]=3 98 B15R0.324 CC[C@@H](C)C(=O)NCCCCCCCCO WXVL_AK4142SB00054 [0,1,0,0,0,0|3,0,0]=4 99 B15R0.324 CC[C@@H](C)C(=O)NCCCCCCCCO WXVL_AK4142SB00054 [0,1,0,0,0,0|3,0,0]=4 100 B15R0.324 CC[C@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB3573 [0,1,0,0,0,0|3,0,0]=4 101 B15R0.324 CC[C@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB3573 [0,1,0,0,0,0|3,0,0]=4 102 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,1,0,0,0,0|1,0,2]=4 103 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,1,0,0,0,0|1,0,2]=4 104 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,1,0,0,0,0|1,0,1]=3 105 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,1,0,0,0,0|1,0,1]=3 106 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,1,0,0,0,0|1,0,2]=4 107 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,1,0,0,0,0|1,0,2]=4 108 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,1,0,0,0,0|1,0,1]=3 109 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,1,0,0,0,0|1,0,1]=3 110 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,1,0,0,0,0|1,0,0]=2 111 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,1,0,0,0,0|1,0,0]=2 112 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,1,0,0,0,0|2,0,1]=4 113 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,1,0,0,0,0|2,0,1]=4 114 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,1,0,0,0,0|1,0,0]=2 115 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,1,0,0,0,0|1,0,0]=2 116 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,1,0,0,0,0|2,0,0]=3 117 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,1,0,0,0,0|2,0,0]=3 118 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,1,0,0,0,0|2,0,0]=3 119 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,1,0,0,0,0|2,0,0]=3 120 B15R0.370 CCCCOCCNC(=O)CC(=O)OCC WXVL_AK9674SB3094 [0,1,0,0,0,0|2,0,1]=4 121 B15R0.370 CCCCOCCNC(=O)CC(=O)OCC WXVL_AK9674SB3094 [0,1,0,0,0,0|2,0,1]=4 122 B15R0.370 CCOC(=O)CC(=O)NCCCCCCO WXVL_AK0751SB3094 [0,1,0,0,0,0|2,0,1]=4 123 B15R0.370 CCOC(=O)CC(=O)NCCCCCCO WXVL_AK0751SB3094 [0,1,0,0,0,0|2,0,1]=4 124 B15R0.408 CCNC(=O)NCCCCCC(=O)OCC WXVL_AK00476YV0146 [0,1,0,0,0,0|2,0,1]=4 125 B15R0.408 CCNC(=O)NCCCCCC(=O)OCC WXVL_AK00476YV0146 [0,1,0,0,0,0|2,0,1]=4 126 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0549 [0,1,0,0,0,0|2,0,0]=3 127 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0549 [0,1,0,0,0,0|2,0,0]=3 128 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC WXVL_AK1826HU0030 [0,1,0,0,0,0|3,0,0]=4 129 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC WXVL_AK1826HU0030 [0,1,0,0,0,0|3,0,0]=4 130 B15R0.2002 C#CCCC(=O)NCCCCCCCCC WXVL_AK1826SB2189 [0,1,0,0,0,0|2,0,1]=4 131 B15R0.2002 C#CCCC(=O)NCCCCCCCCC WXVL_AK1826SB2189 [0,1,0,0,0,0|2,0,1]=4 132 B15R0.2002 C=CCCC(=O)NCCCCCCCCC WXVL_AK1826SB1035 [0,1,0,0,0,0|2,0,1]=4 133 B15R0.2002 C=CCCC(=O)NCCCCCCCCC WXVL_AK1826SB1035 [0,1,0,0,0,0|2,0,1]=4 134 B15R0.2002 C=CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0481 [0,1,0,0,0,0|1,0,2]=4 135 B15R0.2002 C=CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0481 [0,1,0,0,0,0|1,0,2]=4 136 B15R0.2002 C=CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0481 [0,1,0,0,0,0|1,0,2]=4 137 B15R0.2002 C=CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0481 [0,1,0,0,0,0|1,0,2]=4 138 B15R0.2002 C=CCNC(=O)CCCCCCCCCC WXVL_AK00561SB0490 [0,1,0,0,0,0|1,0,1]=3 139 B15R0.2002 C=CCNC(=O)CCCCCCCCCC WXVL_AK00561SB0490 [0,1,0,0,0,0|1,0,1]=3 140 B15R0.2002 CCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0490 [0,1,0,0,0,0|1,0,1]=3 141 B15R0.2002 CCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0490 [0,1,0,0,0,0|1,0,1]=3 142 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [0,1,0,0,0,0|1,0,0]=2 143 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [0,1,0,0,0,0|1,0,0]=2 144 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [0,1,0,0,0,0|1,0,0]=2 145 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [0,1,0,0,0,0|1,0,0]=2 146 B15R0.2002 CCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1826SB0424 [0,1,0,0,0,0|2,0,1]=4 147 B15R0.2002 CCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1826SB0424 [0,1,0,0,0,0|2,0,1]=4 148 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [0,1,0,0,0,0|2,0,0]=3 149 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [0,1,0,0,0,0|2,0,0]=3 150 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [0,1,0,0,0,0|2,0,0]=3 151 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [0,1,0,0,0,0|2,0,0]=3 152 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [0,1,0,0,0,0|1,0,0]=2 153 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [0,1,0,0,0,0|1,0,0]=2 154 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [0,1,0,0,0,0|1,1,0]=3 155 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [0,1,0,0,0,0|1,1,0]=3 156 B15R0.2002 CCCCCCCCCNC(=O)NCCCl WXVL_AK1826YV0092 [0,1,0,0,0,0|2,0,0]=3 157 B15R0.2002 CCCCCCCCCNC(=O)NCCCl WXVL_AK1826YV0092 [0,1,0,0,0,0|2,0,0]=3 158 B15R0.2002 CCOCC(=O)NCCCCCCCCO WXVL_AK4142SB0091 [0,1,0,0,0,0|2,0,0]=3 159 B15R0.2002 CCOCC(=O)NCCCCCCCCO WXVL_AK4142SB0091 [0,1,0,0,0,0|2,0,0]=3 160 B15R0.2002 CCSCC(=O)NCCCCCCCCO WXVL_AK4142SB0002 [0,1,0,0,0,0|2,1,0]=4 161 B15R0.2002 CCSCC(=O)NCCCCCCCCO WXVL_AK4142SB0002 [0,1,0,0,0,0|2,1,0]=4 162 B15R0.2002 COCCC(=O)NCCCCCCCCO WXVL_AK4142SB0156 [0,1,0,0,0,0|3,0,0]=4 163 B15R0.2002 COCCC(=O)NCCCCCCCCO WXVL_AK4142SB0156 [0,1,0,0,0,0|3,0,0]=4 164 B15R0.2002 CSCCC(=O)NCCCCCCCCO WXVL_AK4142SB0361 [0,1,0,0,0,0|3,0,0]=4 165 B15R0.2002 CSCCC(=O)NCCCCCCCCO WXVL_AK4142SB0361 [0,1,0,0,0,0|3,0,0]=4 166 B15R0.2002 O=C(NCCCl)NCCCCCCCCO WXVL_AK4142YV0092 [0,1,0,0,0,0|3,0,0]=4 167 B15R0.2002 O=C(NCCCl)NCCCCCCCCO WXVL_AK4142YV0092 [0,1,0,0,0,0|3,0,0]=4 168 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC WXVL_AK1818SB4144 [0,1,0,0,0,0|1,0,1]=3 169 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC WXVL_AK1818SB4144 [0,1,0,0,0,0|1,0,1]=3 170 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC WXVL_AK2310SB4144 [0,1,0,0,0,0|2,0,1]=4 171 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC WXVL_AK2310SB4144 [0,1,0,0,0,0|2,0,1]=4 172 B15R1.778 C/C=C/C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0340 [0,0,0,1,0,0|2,0,1]=4 173 B15R1.778 C/C=C/C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0340 [0,0,0,1,0,0|2,0,1]=4 174 B15R1.778 CC#CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1240 [0,0,0,1,0,0|2,0,1]=4 175 B15R1.778 CC#CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1240 [0,0,0,1,0,0|2,0,1]=4 176 B15R1.778 CCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0073 [0,0,0,1,0,0|2,0,0]=3 177 B15R1.778 CCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0073 [0,0,0,1,0,0|2,0,0]=3 178 B15R1.778 CCCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0073 [0,0,0,1,0,0|3,0,0]=4 179 B15R1.778 CCCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0073 [0,0,0,1,0,0|3,0,0]=4 180 B15R1.778 CCCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0073 [0,0,0,1,0,0|3,0,0]=4 181 B15R1.778 CCCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0073 [0,0,0,1,0,0|3,0,0]=4 182 B15R1.778 COCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0090 [0,0,0,1,0,0|3,0,0]=4 183 B15R1.778 COCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0090 [0,0,0,1,0,0|3,0,0]=4 184 B15R1.778 CSCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1267 [0,0,0,1,0,0|3,0,0]=4 185 B15R1.778 CSCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB1267 [0,0,0,1,0,0|3,0,0]=4 186 B15R1.843 CCCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0073 [0,0,0,1,0,0|3,0,0]=4 187 B15R1.843 CCCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0073 [0,0,0,1,0,0|3,0,0]=4 188 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 WXVL_AK1826SB0038 [0,0,0,1,0,0|2,0,0]=3 189 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 WXVL_AK1826SB0038 [0,0,0,1,0,0|2,0,0]=3 190 B15R1.12171 O=C(NCCCCCCCCO)C1CC1 WXVL_AK4142SB0038 [0,0,0,1,0,0|3,0,0]=4 191 B15R1.12171 O=C(NCCCCCCCCO)C1CC1 WXVL_AK4142SB0038 [0,0,0,1,0,0|3,0,0]=4 192 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [2,0,0,0,0,0|1,0,0]=3 193 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [2,0,0,0,0,0|1,0,0]=3 194 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [2,0,0,0,0,0|2,0,0]=4 195 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [2,0,0,0,0,0|2,0,0]=4 196 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [2,0,0,0,0,0|2,0,0]=4 197 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [2,0,0,0,0,0|2,0,0]=4 198 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [2,0,0,0,0,0|1,0,0]=3 199 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [2,0,0,0,0,0|1,0,0]=3 200 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [2,0,0,0,0,0|1,0,0]=3 201 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [2,0,0,0,0,0|1,0,0]=3 202 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [2,0,0,0,0,0|2,0,0]=4 203 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [2,0,0,0,0,0|2,0,0]=4 204 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [2,0,0,0,0,0|2,0,0]=4 205 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [2,0,0,0,0,0|2,0,0]=4 206 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [2,0,0,0,0,0|2,0,0]=4 207 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [2,0,0,0,0,0|2,0,0]=4 208 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [2,0,0,0,0,0|2,0,0]=4 209 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [2,0,0,0,0,0|2,0,0]=4 210 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [2,0,0,0,0,0|1,0,0]=3 211 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [2,0,0,0,0,0|1,0,0]=3 212 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [2,0,0,0,0,0|1,0,0]=3 213 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [2,0,0,0,0,0|1,0,0]=3 214 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [1,1,0,0,0,0|1,0,0]=3 215 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [1,1,0,0,0,0|1,0,0]=3 216 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [1,1,0,0,0,0|1,0,1]=4 217 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [1,1,0,0,0,0|1,0,1]=4 218 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [1,1,0,0,0,0|2,0,0]=4 219 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [1,1,0,0,0,0|2,0,0]=4 220 B14R0.181 CCCCCCCCNC(=O)C(C)CC WXVL_AK1818SB0054 [1,1,0,0,0,0|2,0,0]=4 221 B14R0.181 CCCCCCCCNC(=O)C(C)CC WXVL_AK1818SB0054 [1,1,0,0,0,0|2,0,0]=4 222 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1818SB3573 [1,1,0,0,0,0|2,0,0]=4 223 B14R0.181 CCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1818SB3573 [1,1,0,0,0,0|2,0,0]=4 224 B14R0.181 CCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1818SB00054 [1,1,0,0,0,0|2,0,0]=4 225 B14R0.181 CCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1818SB00054 [1,1,0,0,0,0|2,0,0]=4 226 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [1,1,0,0,0,0|1,0,0]=3 227 B14R0.391 CCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0447 [1,1,0,0,0,0|1,0,0]=3 228 B14R0.391 CCCCCCCCNC(=O)CC(C)C WXVL_AK1818SB0063 [1,1,0,0,0,0|2,0,0]=4 229 B14R0.391 CCCCCCCCNC(=O)CC(C)C WXVL_AK1818SB0063 [1,1,0,0,0,0|2,0,0]=4 230 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [1,1,0,0,0,0|2,0,0]=4 231 B14R0.391 CCCCCCCCNC(=O)CC(C)O WXVL_AK1818SB3643 [1,1,0,0,0,0|2,0,0]=4 232 B14R0.391 CCCCCCCCNC(=O)NC(C)C WXVL_AK0030YV0182 [1,1,0,0,0,0|2,0,0]=4 233 B14R0.391 CCCCCCCCNC(=O)NC(C)C WXVL_AK0030YV0182 [1,1,0,0,0,0|2,0,0]=4 234 B14R0.493 C=CCNC(=O)CCCCCCCCC WXVL_AK00561SB0447 [1,1,0,0,0,0|1,0,1]=4 235 B14R0.493 C=CCNC(=O)CCCCCCCCC WXVL_AK00561SB0447 [1,1,0,0,0,0|1,0,1]=4 236 B14R0.493 CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0447 [1,1,0,0,0,0|1,0,1]=4 237 B14R0.493 CCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0447 [1,1,0,0,0,0|1,0,1]=4 238 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [1,1,0,0,0,0|1,0,0]=3 239 B14R0.493 CCCCCCCCCC(=O)NCCC WXVL_AK00504SB0447 [1,1,0,0,0,0|1,0,0]=3 240 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [1,1,0,0,0,0|1,0,0]=3 241 B14R0.493 CCCCCCCCCC(=O)NCCF WXVL_AK00466SB0447 [1,1,0,0,0,0|1,0,0]=3 242 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [1,1,0,0,0,0|2,0,0]=4 243 B14R0.493 CCCCCCCCNC(=O)CCOC WXVL_AK1818SB0156 [1,1,0,0,0,0|2,0,0]=4 244 B14R0.493 CCCCCCCCNC(=O)CCSC WXVL_AK1818SB0361 [1,1,0,0,0,0|2,0,0]=4 245 B14R0.493 CCCCCCCCNC(=O)CCSC WXVL_AK1818SB0361 [1,1,0,0,0,0|2,0,0]=4 246 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [1,1,0,0,0,0|1,0,0]=3 247 B14R0.493 CCCCCCCCNC(=O)COCC WXVL_AK1818SB0091 [1,1,0,0,0,0|1,0,0]=3 248 B14R0.493 CCCCCCCCNC(=O)CSCC WXVL_AK1818SB0002 [1,1,0,0,0,0|1,1,0]=4 249 B14R0.493 CCCCCCCCNC(=O)CSCC WXVL_AK1818SB0002 [1,1,0,0,0,0|1,1,0]=4 250 B14R0.493 CCCCCCCCNC(=O)NCCC WXVL_AK00504YV0182 [1,1,0,0,0,0|2,0,0]=4 251 B14R0.493 CCCCCCCCNC(=O)NCCC WXVL_AK00504YV0182 [1,1,0,0,0,0|2,0,0]=4 252 B14R0.493 CCCCCCCCNC(=O)NCCCl WXVL_AK1818YV0092 [1,1,0,0,0,0|2,0,0]=4 253 B14R0.493 CCCCCCCCNC(=O)NCCCl WXVL_AK1818YV0092 [1,1,0,0,0,0|2,0,0]=4 254 B14R0.493 CCCCCCCCNC(=O)NCCF WXVL_AK00466YV0182 [1,1,0,0,0,0|2,0,0]=4 255 B14R0.493 CCCCCCCCNC(=O)NCCF WXVL_AK00466YV0182 [1,1,0,0,0,0|2,0,0]=4 256 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [1,1,0,0,0,0|2,0,0]=4 257 B14R0.493 CCCCOCCCNC(=O)COCC WXVL_AK2310SB0091 [1,1,0,0,0,0|2,0,0]=4 258 B14R0.140 CCCCCCNC(=O)CCC(=O)OC WXVL_AK0286SB0069 [1,1,0,0,0,0|1,0,1]=4 259 B14R0.140 CCCCCCNC(=O)CCC(=O)OC WXVL_AK0286SB0069 [1,1,0,0,0,0|1,0,1]=4 260 B14R0.197 CCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0064 [1,1,0,0,0,0|1,0,1]=4 261 B14R0.197 CCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0064 [1,1,0,0,0,0|1,0,1]=4 262 B14R0.226 CCCCNC(=O)CCCCC(=O)OC WXVL_AK00588SB1209 [1,1,0,0,0,0|1,0,1]=4 263 B14R0.226 CCCCNC(=O)CCCCC(=O)OC WXVL_AK00588SB1209 [1,1,0,0,0,0|1,0,1]=4 264 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [1,1,0,0,0,0|0,0,2]=4 265 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [1,1,0,0,0,0|0,0,2]=4 266 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,1,0,0,0,0|1,0,0]=3 267 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,1,0,0,0,0|1,0,0]=3 268 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,1,0,0,0,0|0,0,0]=2 269 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,1,0,0,0,0|0,0,0]=2 270 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,1,0,0,0,0|1,0,0]=3 271 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,1,0,0,0,0|1,0,0]=3 272 B14R0.340 CC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0052 [1,1,0,0,0,0|2,0,0]=4 273 B14R0.340 CC(C)C(=O)NCCCCCCCCO WXVL_AK4142SB0052 [1,1,0,0,0,0|2,0,0]=4 274 B14R0.340 CC(S)C(=O)NCCCCCCCCO WXVL_AK4142SB2708 [1,1,0,0,0,0|2,0,0]=4 275 B14R0.340 CC(S)C(=O)NCCCCCCCCO WXVL_AK4142SB2708 [1,1,0,0,0,0|2,0,0]=4 276 B14R0.340 CCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0490 [1,1,0,0,0,0|1,0,0]=3 277 B14R0.340 CCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0490 [1,1,0,0,0,0|1,0,0]=3 278 B14R0.340 CCCCCCCCCNC(=O)C(=O)C WXVL_AK1826SB0051 [1,1,0,0,0,0|1,0,1]=4 279 B14R0.340 CCCCCCCCCNC(=O)C(=O)C WXVL_AK1826SB0051 [1,1,0,0,0,0|1,0,1]=4 280 B14R0.340 CCCCCCCCCNC(=O)C(C)C WXVL_AK1826SB0052 [1,1,0,0,0,0|1,0,0]=3 281 B14R0.340 CCCCCCCCCNC(=O)C(C)C WXVL_AK1826SB0052 [1,1,0,0,0,0|1,0,0]=3 282 B14R0.340 CCCCCCCCCNC(=O)C(C)S WXVL_AK1826SB2708 [1,1,0,0,0,0|1,0,0]=3 283 B14R0.340 CCCCCCCCCNC(=O)C(C)S WXVL_AK1826SB2708 [1,1,0,0,0,0|1,0,0]=3 284 B14R0.340 CCCCCCCCCNC(=O)C(F)F WXVL_AK1826SB0079 [1,1,0,0,0,0|2,0,0]=4 285 B14R0.340 CCCCCCCCCNC(=O)C(F)F WXVL_AK1826SB0079 [1,1,0,0,0,0|2,0,0]=4 286 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1826SB1085 [1,1,0,0,0,0|1,0,0]=3 287 B14R0.340 CCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1826SB1085 [1,1,0,0,0,0|1,0,0]=3 288 B14R0.340 C[C@@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB1085 [1,1,0,0,0,0|2,0,0]=4 289 B14R0.340 C[C@@H](O)C(=O)NCCCCCCCCO WXVL_AK4142SB1085 [1,1,0,0,0,0|2,0,0]=4 290 B14R0.2056 CCCCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0549 [1,1,0,0,0,0|2,0,0]=4 291 B14R0.2056 CCCCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0549 [1,1,0,0,0,0|2,0,0]=4 292 B14R0.2056 CCCCCCCCCNS(=O)(=O)CC WXVL_AK1826HU0028 [1,1,0,0,0,0|2,0,0]=4 293 B14R0.2056 CCCCCCCCCNS(=O)(=O)CC WXVL_AK1826HU0028 [1,1,0,0,0,0|2,0,0]=4 294 B16R0.3162 CCCCCC(C)C(=O)NCCC(=O)OCC WXVL_AK0465SB0394 [0,2,0,0,0,0|1,0,1]=4 295 B16R0.3162 CCCCCC(C)C(=O)NCCC(=O)OCC WXVL_AK0465SB0394 [0,2,0,0,0,0|1,0,1]=4 296 B16R0.5205 CCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0393 [0,2,0,0,0,0|0,0,1]=3 297 B16R0.5205 CCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0393 [0,2,0,0,0,0|0,0,1]=3 298 B16R0.5205 CCOC(=O)CCNC(=O)CCCCCCBr WXVL_AK0465SB1386 [0,2,0,0,0,0|1,0,1]=4 299 B16R0.5205 CCOC(=O)CCNC(=O)CCCCCCBr WXVL_AK0465SB1386 [0,2,0,0,0,0|1,0,1]=4 300 B16R0.67 CCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0490 [0,2,0,0,0,0|1,0,0]=3 301 B16R0.67 CCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0490 [0,2,0,0,0,0|1,0,0]=3 302 B16R0.67 CCCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK1826SB2578 [0,2,0,0,0,0|2,0,0]=4 303 B16R0.67 CCCCCCCCCNC(=O)C(=O)C(C)C WXVL_AK1826SB2578 [0,2,0,0,0,0|2,0,0]=4 304 B16R0.67 CCCCCCCCCNC(=O)C(O)C(C)C WXVL_AK1826SB1147 [0,2,0,0,0,0|2,0,0]=4 305 B16R0.67 CCCCCCCCCNC(=O)C(O)C(C)C WXVL_AK1826SB1147 [0,2,0,0,0,0|2,0,0]=4 306 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2796 [0,2,0,0,0,0|1,0,0]=3 307 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2796 [0,2,0,0,0,0|1,0,0]=3 308 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C WXVL_AK1845SB0342 [0,2,0,0,0,0|1,0,1]=4 309 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C WXVL_AK1845SB0342 [0,2,0,0,0,0|1,0,1]=4 310 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C WXVL_AK1845SB0063 [0,2,0,0,0,0|1,0,0]=3 311 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C WXVL_AK1845SB0063 [0,2,0,0,0,0|1,0,0]=3 312 B16R0.302 CCCCCCCCCCNC(=O)CC(C)O WXVL_AK1845SB3643 [0,2,0,0,0,0|1,0,0]=3 313 B16R0.302 CCCCCCCCCCNC(=O)CC(C)O WXVL_AK1845SB3643 [0,2,0,0,0,0|1,0,0]=3 314 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C WXVL_AK1845SB0085 [0,2,0,0,0,0|2,0,0]=4 315 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C WXVL_AK1845SB0085 [0,2,0,0,0,0|2,0,0]=4 316 B16R0.1182 C#C[C@@H](C)NC(=O)CCCCCCCCCC WXVL_AK00735SB0490 [0,2,0,0,0,0|1,0,0]=3 317 B16R0.1182 C#C[C@@H](C)NC(=O)CCCCCCCCCC WXVL_AK00735SB0490 [0,2,0,0,0,0|1,0,0]=3 318 B16R0.1182 C=CC(C)NC(=O)CCCCCCCCCC WXVL_AK00769SB0490 [0,2,0,0,0,0|1,0,0]=3 319 B16R0.1182 C=CC(C)NC(=O)CCCCCCCCCC WXVL_AK00769SB0490 [0,2,0,0,0,0|1,0,0]=3 320 B16R0.1182 CCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0490 [0,2,0,0,0,0|1,0,0]=3 321 B16R0.1182 CCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0490 [0,2,0,0,0,0|1,0,0]=3 322 B16R0.1182 CCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0490 [0,2,0,0,0,0|1,0,0]=3 323 B16R0.1182 CCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0490 [0,2,0,0,0,0|1,0,0]=3 324 B16R0.1182 CCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0490 [0,2,0,0,0,0|1,0,0]=3 325 B16R0.1182 CCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0490 [0,2,0,0,0,0|1,0,0]=3 326 B16R0.1182 CCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0490 [0,2,0,0,0,0|1,0,0]=3 327 B16R0.1182 CCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0490 [0,2,0,0,0,0|1,0,0]=3 328 B16R0.1182 CCCCCCCCCNC(=O)CC(C)CC WXVL_AK1826SB0353 [0,2,0,0,0,0|2,0,0]=4 329 B16R0.1182 CCCCCCCCCNC(=O)CC(C)CC WXVL_AK1826SB0353 [0,2,0,0,0,0|2,0,0]=4 330 B16R0.1182 CCCCCCCCCNC(=O)CC(O)CC WXVL_AK1826SB4092 [0,2,0,0,0,0|2,0,0]=4 331 B16R0.1182 CCCCCCCCCNC(=O)CC(O)CC WXVL_AK1826SB4092 [0,2,0,0,0,0|2,0,0]=4 332 B16R0.1182 CCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1826SB8650 [0,2,0,0,0,0|2,0,0]=4 333 B16R0.1182 CCCCCCCCCNC(=O)C[C@H](C)CC WXVL_AK1826SB8650 [0,2,0,0,0,0|2,0,0]=4 334 B16R0.1193 CCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0490 [0,2,0,0,0,0|1,0,0]=3 335 B16R0.1193 CCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0490 [0,2,0,0,0,0|1,0,0]=3 336 B16R0.1193 CCCCCCCCCNC(=O)CC(C)(C)C WXVL_AK1826SB0062 [0,2,0,0,0,0|2,0,0]=4 337 B16R0.1193 CCCCCCCCCNC(=O)CC(C)(C)C WXVL_AK1826SB0062 [0,2,0,0,0,0|2,0,0]=4 338 B16R0.1193 CCCCCCCCCNC(=O)CC(C)(C)O WXVL_AK1826SB0163 [0,2,0,0,0,0|2,0,0]=4 339 B16R0.1193 CCCCCCCCCNC(=O)CC(C)(C)O WXVL_AK1826SB0163 [0,2,0,0,0,0|2,0,0]=4 340 B16R0.8617 CCCCCCCCCCS(=O)(=O)NC(C)C WXVL_AK0030HU0549 [0,2,0,0,0,0|2,0,0]=4 341 B16R0.8617 CCCCCCCCCCS(=O)(=O)NC(C)C WXVL_AK0030HU0549 [0,2,0,0,0,0|2,0,0]=4 342 B16R0.115 CCCCCCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0393 [0,2,0,0,0,0|1,0,1]=4 343 B16R0.115 CCCCCCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0393 [0,2,0,0,0,0|1,0,1]=4 344 B16R0.70 C/C=C(\C)/C(=O)NCCCCCCCCCC WXVL_AK1845SB0343 [0,2,0,0,0,0|1,0,1]=4 345 B16R0.70 C/C=C(\C)/C(=O)NCCCCCCCCCC WXVL_AK1845SB0343 [0,2,0,0,0,0|1,0,1]=4 346 B16R0.70 CCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1845SB0344 [0,2,0,0,0,0|1,0,0]=3 347 B16R0.70 CCCCCCCCCCNC(=O)C(=O)CC WXVL_AK1845SB0344 [0,2,0,0,0,0|1,0,0]=3 348 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC WXVL_AK1845SB0054 [0,2,0,0,0,0|1,0,0]=3 349 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC WXVL_AK1845SB0054 [0,2,0,0,0,0|1,0,0]=3 350 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1845SB2926 [0,2,0,0,0,0|2,0,0]=4 351 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](C)OC WXVL_AK1845SB2926 [0,2,0,0,0,0|2,0,0]=4 352 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1845SB3573 [0,2,0,0,0,0|1,0,0]=3 353 B16R0.70 CCCCCCCCCCNC(=O)[C@@H](O)CC WXVL_AK1845SB3573 [0,2,0,0,0,0|1,0,0]=3 354 B16R0.70 CCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1845SB00054 [0,2,0,0,0,0|1,0,0]=3 355 B16R0.70 CCCCCCCCCCNC(=O)[C@H](C)CC WXVL_AK1845SB00054 [0,2,0,0,0,0|1,0,0]=3 356 B16R0.690 CCCCCCCCCNC(=O)C(C)(C)CC WXVL_AK1826SB0355 [0,2,0,0,0,0|2,0,0]=4 357 B16R0.690 CCCCCCCCCNC(=O)C(C)(C)CC WXVL_AK1826SB0355 [0,2,0,0,0,0|2,0,0]=4 358 B16R0.690 CCCCCCCCCNC(=O)C(C)(O)CC WXVL_AK1826SB3009 [0,2,0,0,0,0|2,0,0]=4 359 B16R0.690 CCCCCCCCCNC(=O)C(C)(O)CC WXVL_AK1826SB3009 [0,2,0,0,0,0|2,0,0]=4 360 B16R0.1183 CC/C=C(\C)/C(=O)NCCCCCCCCC WXVL_AK1826SB0037 [0,2,0,0,0,0|2,0,0]=4 361 B16R0.1183 CC/C=C(\C)/C(=O)NCCCCCCCCC WXVL_AK1826SB0037 [0,2,0,0,0,0|2,0,0]=4 362 B16R0.1183 CCCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0490 [0,2,0,0,0,0|1,0,1]=4 363 B16R0.1183 CCCCCCCCCCC(=O)N(C)CC#N WXVL_AN2942SB0490 [0,2,0,0,0,0|1,0,1]=4 364 B16R0.1183 CCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0490 [0,2,0,0,0,0|1,0,0]=3 365 B16R0.1183 CCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0490 [0,2,0,0,0,0|1,0,0]=3 366 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1826SB4144 [0,2,0,0,0,0|0,0,1]=3 367 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1826SB4144 [0,2,0,0,0,0|0,0,1]=3 368 B16R0.1183 CCCCCCCCCNC(=O)C(C)CCC WXVL_AK1826SB0352 [0,2,0,0,0,0|2,0,0]=4 369 B16R0.1183 CCCCCCCCCNC(=O)C(C)CCC WXVL_AK1826SB0352 [0,2,0,0,0,0|2,0,0]=4 370 B16R0.1183 CCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1826SB3627 [0,2,0,0,0,0|2,0,0]=4 371 B16R0.1183 CCCCCCCCCNC(=O)[C@@H](O)CCC WXVL_AK1826SB3627 [0,2,0,0,0,0|2,0,0]=4 372 B16R0.1183 CCOC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB4144 [0,2,0,0,0,0|1,0,1]=4 373 B16R0.1183 CCOC(=O)C(=O)NCCCCCCCCO WXVL_AK4142SB4144 [0,2,0,0,0,0|1,0,1]=4 374 B16R0.1185 CCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0490 [0,2,0,0,0,0|1,0,0]=3 375 B16R0.1185 CCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0490 [0,2,0,0,0,0|1,0,0]=3 376 B16R0.1185 CCCCCCCCCNC(=O)C(CC)CC WXVL_AK1826SB0055 [0,2,0,0,0,0|2,0,0]=4 377 B16R0.1185 CCCCCCCCCNC(=O)C(CC)CC WXVL_AK1826SB0055 [0,2,0,0,0,0|2,0,0]=4 378 B16R0.61 C/C=C/C(=O)NCCCCCCCCCCO WXVL_AK3148SB0340 [0,2,0,0,0,0|1,0,1]=4 379 B16R0.61 C/C=C/C(=O)NCCCCCCCCCCO WXVL_AK3148SB0340 [0,2,0,0,0,0|1,0,1]=4 380 B16R0.61 CC#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB1240 [0,2,0,0,0,0|1,0,1]=4 381 B16R0.61 CC#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB1240 [0,2,0,0,0,0|1,0,1]=4 382 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,2,0,0,0,0|1,0,0]=3 383 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,2,0,0,0,0|1,0,0]=3 384 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,2,0,0,0,0|1,0,0]=3 385 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,2,0,0,0,0|1,0,0]=3 386 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,2,0,0,0,0|1,0,0]=3 387 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,2,0,0,0,0|1,0,0]=3 388 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,2,0,0,0,0|2,0,0]=4 389 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,2,0,0,0,0|2,0,0]=4 390 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,2,0,0,0,0|2,0,0]=4 391 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,2,0,0,0,0|2,0,0]=4 392 B16R0.154 CCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1818SB3094 [0,2,0,0,0,0|0,0,1]=3 393 B16R0.154 CCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1818SB3094 [0,2,0,0,0,0|0,0,1]=3 394 B16R0.154 CCCCOCCCNC(=O)CC(=O)OCC WXVL_AK2310SB3094 [0,2,0,0,0,0|1,0,1]=4 395 B16R0.154 CCCCOCCCNC(=O)CC(=O)OCC WXVL_AK2310SB3094 [0,2,0,0,0,0|1,0,1]=4 396 B16R0.195 CCCNC(=O)NCCCCCC(=O)OCC WXVL_AK00504YV0146 [0,2,0,0,0,0|1,0,1]=4 397 B16R0.195 CCCNC(=O)NCCCCCC(=O)OCC WXVL_AK00504YV0146 [0,2,0,0,0,0|1,0,1]=4 398 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,2,0,0,0,0|1,0,1]=4 399 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,2,0,0,0,0|1,0,1]=4 400 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,2,0,0,0,0|1,0,1]=4 401 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,2,0,0,0,0|1,0,1]=4 402 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [0,2,0,0,0,0|1,0,1]=4 403 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [0,2,0,0,0,0|1,0,1]=4 404 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [0,2,0,0,0,0|1,0,1]=4 405 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [0,2,0,0,0,0|1,0,1]=4 406 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,2,0,0,0,0|1,0,0]=3 407 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,2,0,0,0,0|1,0,0]=3 408 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,2,0,0,0,0|1,0,0]=3 409 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,2,0,0,0,0|1,0,0]=3 410 B16R0.661 CCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1845SB0424 [0,2,0,0,0,0|1,0,1]=4 411 B16R0.661 CCCCCCCCCCNC(=O)/C=C/CBr WXVL_AK1845SB0424 [0,2,0,0,0,0|1,0,1]=4 412 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,2,0,0,0,0|1,0,0]=3 413 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,2,0,0,0,0|1,0,0]=3 414 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,2,0,0,0,0|1,0,0]=3 415 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,2,0,0,0,0|1,0,0]=3 416 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,2,0,0,0,0|0,0,0]=2 417 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,2,0,0,0,0|0,0,0]=2 418 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,2,0,0,0,0|0,1,0]=3 419 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,2,0,0,0,0|0,1,0]=3 420 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,2,0,0,0,0|1,0,0]=3 421 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,2,0,0,0,0|1,0,0]=3 422 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1845HU0030 [0,2,0,0,0,0|2,0,0]=4 423 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC WXVL_AK1845HU0030 [0,2,0,0,0,0|2,0,0]=4 424 B16R0.8580 CCCCCCCCCCS(=O)(=O)NCCC WXVL_AK00504HU0549 [0,2,0,0,0,0|2,0,0]=4 425 B16R0.8580 CCCCCCCCCCS(=O)(=O)NCCC WXVL_AK00504HU0549 [0,2,0,0,0,0|2,0,0]=4 426 B16R0.8580 CCCCCCCCCCS(=O)(=O)NCCF WXVL_AK00466HU0549 [0,2,0,0,0,0|2,0,0]=4 427 B16R0.8580 CCCCCCCCCCS(=O)(=O)NCCF WXVL_AK00466HU0549 [0,2,0,0,0,0|2,0,0]=4 428 B16R0.68 C#CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2709 [0,2,0,0,0,0|2,0,0]=4 429 B16R0.68 C#CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2709 [0,2,0,0,0,0|2,0,0]=4 430 B16R0.68 C#CCCNC(=O)CCCCCCCCCC WXVL_AK3109SB0490 [0,2,0,0,0,0|1,0,0]=3 431 B16R0.68 C#CCCNC(=O)CCCCCCCCCC WXVL_AK3109SB0490 [0,2,0,0,0,0|1,0,0]=3 432 B16R0.68 C=CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2920 [0,2,0,0,0,0|2,0,0]=4 433 B16R0.68 C=CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2920 [0,2,0,0,0,0|2,0,0]=4 434 B16R0.68 C=CCCNC(=O)CCCCCCCCCC WXVL_AK00138SB0490 [0,2,0,0,0,0|1,0,0]=3 435 B16R0.68 C=CCCNC(=O)CCCCCCCCCC WXVL_AK00138SB0490 [0,2,0,0,0,0|1,0,0]=3 436 B16R0.68 CC/C=C/CC(=O)NCCCCCCCCC WXVL_AK1826SB0349 [0,2,0,0,0,0|2,0,0]=4 437 B16R0.68 CC/C=C/CC(=O)NCCCCCCCCC WXVL_AK1826SB0349 [0,2,0,0,0,0|2,0,0]=4 438 B16R0.68 CCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0490 [0,2,0,0,0,0|1,0,0]=3 439 B16R0.68 CCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0490 [0,2,0,0,0,0|1,0,0]=3 440 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [0,2,0,0,0,0|1,0,0]=3 441 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [0,2,0,0,0,0|1,0,0]=3 442 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [0,2,0,0,0,0|1,0,0]=3 443 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [0,2,0,0,0,0|1,0,0]=3 444 B16R0.68 CCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0490 [0,2,0,0,0,0|1,0,0]=3 445 B16R0.68 CCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0490 [0,2,0,0,0,0|1,0,0]=3 446 B16R0.68 CCCCCCCCCNC(=O)/C=C/OCC WXVL_AK1826SB3226 [0,2,0,0,0,0|1,0,0]=3 447 B16R0.68 CCCCCCCCCNC(=O)/C=C/OCC WXVL_AK1826SB3226 [0,2,0,0,0,0|1,0,0]=3 448 B16R0.68 CCCCCCCCCNC(=O)CCCCBr WXVL_AK1826SB3153 [0,2,0,0,0,0|2,0,0]=4 449 B16R0.68 CCCCCCCCCNC(=O)CCCCBr WXVL_AK1826SB3153 [0,2,0,0,0,0|2,0,0]=4 450 B16R0.68 CCCCCCCCCNC(=O)CCCCCl WXVL_AK1826SB0379 [0,2,0,0,0,0|2,0,0]=4 451 B16R0.68 CCCCCCCCCNC(=O)CCCCCl WXVL_AK1826SB0379 [0,2,0,0,0,0|2,0,0]=4 452 B16R0.68 CCCCCCCCCNC(=O)NCCCCl WXVL_AK1826YV0130 [0,2,0,0,0,0|2,0,0]=4 453 B16R0.68 CCCCCCCCCNC(=O)NCCCCl WXVL_AK1826YV0130 [0,2,0,0,0,0|2,0,0]=4 454 B16R0.68 CCO/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB3226 [0,2,0,0,0,0|2,0,0]=4 455 B16R0.68 CCO/C=C/C(=O)NCCCCCCCCO WXVL_AK4142SB3226 [0,2,0,0,0,0|2,0,0]=4 456 B16R0.3183 C=C(C)CNC(=O)CCCCCCCCCC WXVL_AK0761SB0490 [0,2,0,0,0,0|1,0,0]=3 457 B16R0.3183 C=C(C)CNC(=O)CCCCCCCCCC WXVL_AK0761SB0490 [0,2,0,0,0,0|1,0,0]=3 458 B16R0.3183 CC(C)OCC(=O)NCCCCCCCCO WXVL_AK4142SB0213 [0,2,0,0,0,0|2,0,0]=4 459 B16R0.3183 CC(C)OCC(=O)NCCCCCCCCO WXVL_AK4142SB0213 [0,2,0,0,0,0|2,0,0]=4 460 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0490 [0,2,0,0,0,0|1,0,1]=4 461 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0490 [0,2,0,0,0,0|1,0,1]=4 462 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0490 [0,2,0,0,0,0|1,0,0]=3 463 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0490 [0,2,0,0,0,0|1,0,0]=3 464 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0490 [0,2,0,0,0,0|1,0,0]=3 465 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0490 [0,2,0,0,0,0|1,0,0]=3 466 B16R0.3183 CCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0490 [0,2,0,0,0,0|1,0,0]=3 467 B16R0.3183 CCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0490 [0,2,0,0,0,0|1,0,0]=3 468 B16R0.3183 CCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0490 [0,2,0,0,0,0|1,0,0]=3 469 B16R0.3183 CCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0490 [0,2,0,0,0,0|1,0,0]=3 470 B16R0.3183 CCCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK1826SB0036 [0,2,0,0,0,0|2,0,0]=4 471 B16R0.3183 CCCCCCCCCNC(=O)/C=C/C(C)C WXVL_AK1826SB0036 [0,2,0,0,0,0|2,0,0]=4 472 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1826SB0072 [0,2,0,0,0,0|2,0,0]=4 473 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1826SB0072 [0,2,0,0,0,0|2,0,0]=4 474 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)C WXVL_AK1826SB0354 [0,2,0,0,0,0|2,0,0]=4 475 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)C WXVL_AK1826SB0354 [0,2,0,0,0,0|2,0,0]=4 476 B16R0.3183 CCCCCCCCCNC(=O)CCN(C)C WXVL_AK1826SB00052 [0,2,0,0,0,0|2,0,0]=4 477 B16R0.3183 CCCCCCCCCNC(=O)CCN(C)C WXVL_AK1826SB00052 [0,2,0,0,0,0|2,0,0]=4 478 B16R0.3183 CCCCCCCCCNC(=O)COC(=O)C WXVL_AK1826SB2824 [0,2,0,0,0,0|1,0,1]=4 479 B16R0.3183 CCCCCCCCCNC(=O)COC(=O)C WXVL_AK1826SB2824 [0,2,0,0,0,0|1,0,1]=4 480 B16R0.3183 CCCCCCCCCNC(=O)COC(C)C WXVL_AK1826SB0213 [0,2,0,0,0,0|1,0,0]=3 481 B16R0.3183 CCCCCCCCCNC(=O)COC(C)C WXVL_AK1826SB0213 [0,2,0,0,0,0|1,0,0]=3 482 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [1,0,0,1,0,0|2,0,0]=4 483 B14R1.520 CCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0073 [1,0,0,1,0,0|2,0,0]=4 484 B14R1.635 CCCCC1CCCN1C(=O)CCC WXVL_AN00739SB0073 [1,0,0,1,0,0|2,0,0]=4 485 B14R1.6816 CCCCCCCCNC(=O)C1CC1 WXVL_AK1818SB0038 [1,0,0,1,0,0|2,0,0]=4 486 B14R1.6816 CCCCCCCCNC(=O)C1CC1 WXVL_AK1818SB0038 [1,0,0,1,0,0|2,0,0]=4 487 B14R1.716 CCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0064 [1,0,0,1,0,0|1,0,0]=3 488 B14R1.716 CCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0064 [1,0,0,1,0,0|1,0,0]=3 489 B14R1.716 CCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0064 [1,0,0,1,0,0|2,0,0]=4 490 B14R1.716 CCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0064 [1,0,0,1,0,0|2,0,0]=4 491 B14R1.716 CCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0064 [1,0,0,1,0,0|2,0,0]=4 492 B14R1.716 CCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0064 [1,0,0,1,0,0|2,0,0]=4 493 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [1,0,0,1,0,0|2,0,0]=4 494 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [1,0,0,1,0,0|2,0,0]=4 495 B14R1.789 CCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0064 [1,0,0,1,0,0|2,0,0]=4 496 B14R1.789 CCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0064 [1,0,0,1,0,0|2,0,0]=4 497 B16R1.889 CCCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0073 [0,1,0,1,0,0|2,0,0]=4 498 B16R1.889 CCCC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0073 [0,1,0,1,0,0|2,0,0]=4 499 B16R1.929 CCOC(=O)CCNC(=O)C1CCCCC1 WXVL_AK0465SB0047 [0,1,0,1,0,0|1,0,1]=4 500 B16R1.929 CCOC(=O)CCNC(=O)C1CCCCC1 WXVL_AK0465SB0047 [0,1,0,1,0,0|1,0,1]=4 501 B16R1.1544 CCOC(=O)CCNC(=O)CC1CCCC1 WXVL_AK0465SB0044 [0,1,0,1,0,0|1,0,1]=4 502 B16R1.1544 CCOC(=O)CCNC(=O)CC1CCCC1 WXVL_AK0465SB0044 [0,1,0,1,0,0|1,0,1]=4 503 B16R1.2034 C/C=C/C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0340 [0,1,0,1,0,0|1,0,1]=4 504 B16R1.2034 C/C=C/C(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0340 [0,1,0,1,0,0|1,0,1]=4 505 B16R1.2034 CC#CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1240 [0,1,0,1,0,0|1,0,1]=4 506 B16R1.2034 CC#CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1240 [0,1,0,1,0,0|1,0,1]=4 507 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0073 [0,1,0,1,0,0|1,0,0]=3 508 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0073 [0,1,0,1,0,0|1,0,0]=3 509 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0090 [0,1,0,1,0,0|2,0,0]=4 510 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0090 [0,1,0,1,0,0|2,0,0]=4 511 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1267 [0,1,0,1,0,0|2,0,0]=4 512 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB1267 [0,1,0,1,0,0|2,0,0]=4 513 B16R1.2112 CCOC(=O)CCNC(=O)CCC1CCC1 WXVL_AK0465SB8784 [0,1,0,1,0,0|1,0,1]=4 514 B16R1.2112 CCOC(=O)CCNC(=O)CCC1CCC1 WXVL_AK0465SB8784 [0,1,0,1,0,0|1,0,1]=4 515 B16R1.15191 CCOC(=O)CCNC(=O)C1CCCC1C WXVL_AK0465SB0904 [0,1,0,1,0,0|1,0,1]=4 516 B16R1.15191 CCOC(=O)CCNC(=O)C1CCCC1C WXVL_AK0465SB0904 [0,1,0,1,0,0|1,0,1]=4 517 B16R1.6929 CC(C)CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0063 [0,1,0,1,0,0|2,0,0]=4 518 B16R1.6929 CC(C)CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0063 [0,1,0,1,0,0|2,0,0]=4 519 B16R1.6929 CC(O)CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB3643 [0,1,0,1,0,0|2,0,0]=4 520 B16R1.6929 CC(O)CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB3643 [0,1,0,1,0,0|2,0,0]=4 521 B16R1.18044 CCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0490 [0,1,0,1,0,0|1,0,0]=3 522 B16R1.18044 CCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0490 [0,1,0,1,0,0|1,0,0]=3 523 B16R1.18044 CCCCCCCCCNC(=O)CC1CC1 WXVL_AK1826SB0155 [0,1,0,1,0,0|2,0,0]=4 524 B16R1.18044 CCCCCCCCCNC(=O)CC1CC1 WXVL_AK1826SB0155 [0,1,0,1,0,0|2,0,0]=4 525 B16R1.88231 CCCCCCCCCNC(=O)C1CC1C WXVL_AK1826SB0041 [0,1,0,1,0,0|2,0,0]=4 526 B16R1.88231 CCCCCCCCCNC(=O)C1CC1C WXVL_AK1826SB0041 [0,1,0,1,0,0|2,0,0]=4 527 B16R1.88231 CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1826SB1245 [0,1,0,1,0,0|2,0,0]=4 528 B16R1.88231 CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1826SB1245 [0,1,0,1,0,0|2,0,0]=4 529 B16R1.88231 CCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1826SB00019 [0,1,0,1,0,0|2,0,0]=4 530 B16R1.88231 CCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1826SB00019 [0,1,0,1,0,0|2,0,0]=4 531 B16R1.92 CCCCCCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0393 [0,1,0,1,0,0|1,0,1]=4 532 B16R1.1635 CCC(=O)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0344 [0,1,0,1,0,0|2,0,0]=4 533 B16R1.1635 CCC(=O)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0344 [0,1,0,1,0,0|2,0,0]=4 534 B16R1.1635 CCC(C)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0054 [0,1,0,1,0,0|2,0,0]=4 535 B16R1.1635 CCC(C)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB0054 [0,1,0,1,0,0|2,0,0]=4 536 B16R1.1635 CC[C@@H](C)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB00054 [0,1,0,1,0,0|2,0,0]=4 537 B16R1.1635 CC[C@@H](C)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB00054 [0,1,0,1,0,0|2,0,0]=4 538 B16R1.1635 CC[C@H](O)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB3573 [0,1,0,1,0,0|2,0,0]=4 539 B16R1.1635 CC[C@H](O)C(=O)NCCCC1CCCCC1 WXVL_AK4112SB3573 [0,1,0,1,0,0|2,0,0]=4 540 B16R1.18042 CCCCCCCCCNC(=O)C1CCC1 WXVL_AK1826SB0042 [0,1,0,1,0,0|2,0,0]=4 541 B16R1.18042 CCCCCCCCCNC(=O)C1CCC1 WXVL_AK1826SB0042 [0,1,0,1,0,0|2,0,0]=4 542 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)Br WXVL_AK1826SB5517 [0,1,0,1,0,0|2,0,0]=4 543 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)Br WXVL_AK1826SB5517 [0,1,0,1,0,0|2,0,0]=4 544 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)C WXVL_AK1826SB0040 [0,1,0,1,0,0|2,0,0]=4 545 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)C WXVL_AK1826SB0040 [0,1,0,1,0,0|2,0,0]=4 546 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)F WXVL_AK1826SB0218 [0,1,0,1,0,0|2,0,0]=4 547 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)F WXVL_AK1826SB0218 [0,1,0,1,0,0|2,0,0]=4 548 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)O WXVL_AK1826SB2965 [0,1,0,1,0,0|2,0,0]=4 549 B16R1.18043 CCCCCCCCCNC(=O)C1(CC1)O WXVL_AK1826SB2965 [0,1,0,1,0,0|2,0,0]=4 550 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0073 [0,1,0,1,0,0|2,0,0]=4 551 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0073 [0,1,0,1,0,0|2,0,0]=4 552 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 WXVL_AK1845SB0038 [0,1,0,1,0,0|1,0,0]=3 553 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 WXVL_AK1845SB0038 [0,1,0,1,0,0|1,0,0]=3 554 B16R1.15561 CCOC(=O)CC(=O)NCCC1CCCC1 WXVL_AK00531SB3094 [0,1,0,1,0,0|1,0,1]=4 555 B16R1.15561 CCOC(=O)CC(=O)NCCC1CCCC1 WXVL_AK00531SB3094 [0,1,0,1,0,0|1,0,1]=4 556 B16R1.1556 CCOC(=O)CC1CCCCN1C(=O)CC WXVL_AN8323SB0064 [0,1,0,1,0,0|1,0,1]=4 557 B16R1.14964 CCCC(=O)N1CCCC[C@H]1C(=O)OCC WXVL_AN3118SB0073 [0,1,0,1,0,0|1,0,1]=4 558 B16R1.1465 CCOCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0091 [0,1,0,1,0,0|1,0,0]=3 559 B16R1.1465 CCOCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0091 [0,1,0,1,0,0|1,0,0]=3 560 B16R1.1465 CCOCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0091 [0,1,0,1,0,0|2,0,0]=4 561 B16R1.1465 CCOCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0091 [0,1,0,1,0,0|2,0,0]=4 562 B16R1.1465 CCOCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0091 [0,1,0,1,0,0|2,0,0]=4 563 B16R1.1465 CCOCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0091 [0,1,0,1,0,0|2,0,0]=4 564 B16R1.1465 CCSCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0002 [0,1,0,1,0,0|1,1,0]=4 565 B16R1.1465 CCSCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0002 [0,1,0,1,0,0|1,1,0]=4 566 B16R1.1465 COCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0156 [0,1,0,1,0,0|2,0,0]=4 567 B16R1.1465 COCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0156 [0,1,0,1,0,0|2,0,0]=4 568 B16R1.1465 CSCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0361 [0,1,0,1,0,0|2,0,0]=4 569 B16R1.1465 CSCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0361 [0,1,0,1,0,0|2,0,0]=4 570 B16R1.1465 O=C(NCCCl)NCCCC1CCCCC1 WXVL_AK4112YV0092 [0,1,0,1,0,0|2,0,0]=4 571 B16R1.1465 O=C(NCCCl)NCCCC1CCCCC1 WXVL_AK4112YV0092 [0,1,0,1,0,0|2,0,0]=4 572 B16R1.7348 CCOCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0091 [0,1,0,1,0,0|2,0,0]=4 573 B16R1.7348 CCOCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0091 [0,1,0,1,0,0|2,0,0]=4 574 B16R1.14049 CCOC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB4144 [0,1,0,1,0,0|1,0,1]=4 575 B16R1.14049 CCOC(=O)C(=O)NCCC1CCCCC1 WXVL_AK1287SB4144 [0,1,0,1,0,0|1,0,1]=4 576 B16R1.17999 CCCCC1CCCN1C(=O)C(=O)OCC WXVL_AN00739SB4144 [0,1,0,1,0,0|1,0,1]=4 577 B16R2.27717 O=C(NCCCC1CCCCC1)C2CC2 WXVL_AK4112SB0038 [0,0,0,2,0,0|2,0,0]=4 578 B16R2.27717 O=C(NCCCC1CCCCC1)C2CC2 WXVL_AK4112SB0038 [0,0,0,2,0,0|2,0,0]=4 579 B16R2.160202 CCCC(=O)N1CCCC2C1CCCC2 WXVL_AN3080SB0073 [0,0,0,2,0,0|2,0,0]=4 580 B16R2.160202 CCNC(=O)C1CCCC2C1CCCC2 WXVL_AK00476SB0891 [0,0,0,2,0,0|1,0,0]=3 581 B16R2.160202 CCNC(=O)C1CCCC2C1CCCC2 WXVL_AK00476SB0891 [0,0,0,2,0,0|1,0,0]=3