0 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,0,1,0,0,0|2,0,0]=3 1 B16R0.61 CCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0073 [0,0,1,0,0,0|2,0,0]=3 2 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,0,1,0,0,0|1,0,0]=2 3 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,0,1,0,0,0|1,0,0]=2 4 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,0,1,0,0,0|2,0,0]=3 5 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,0,1,0,0,0|2,0,0]=3 6 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,0,1,0,0,0|3,0,0]=4 7 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,0,1,0,0,0|3,0,0]=4 8 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,0,1,0,0,0|3,0,0]=4 9 B16R0.61 CSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB1267 [0,0,1,0,0,0|3,0,0]=4 10 B16R0.68 C#CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2709 [0,0,1,0,0,0|1,0,2]=4 11 B16R0.68 C#CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2709 [0,0,1,0,0,0|1,0,2]=4 12 B16R0.68 C#CCCNC(=O)CCCCCCCCCC WXVL_AK3109SB0490 [0,0,1,0,0,0|1,0,2]=4 13 B16R0.68 C#CCCNC(=O)CCCCCCCCCC WXVL_AK3109SB0490 [0,0,1,0,0,0|1,0,2]=4 14 B16R0.68 C=CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2920 [0,0,1,0,0,0|1,0,2]=4 15 B16R0.68 C=CCCCC(=O)NCCCCCCCCC WXVL_AK1826SB2920 [0,0,1,0,0,0|1,0,2]=4 16 B16R0.68 C=CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0481 [0,0,1,0,0,0|1,0,2]=4 17 B16R0.68 C=CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0481 [0,0,1,0,0,0|1,0,2]=4 18 B16R0.68 C=CCCNC(=O)CCCCCCCCCC WXVL_AK00138SB0490 [0,0,1,0,0,0|1,0,2]=4 19 B16R0.68 C=CCCNC(=O)CCCCCCCCCC WXVL_AK00138SB0490 [0,0,1,0,0,0|1,0,2]=4 20 B16R0.68 CC/C=C/CC(=O)NCCCCCCCCC WXVL_AK1826SB0349 [0,0,1,0,0,0|1,0,2]=4 21 B16R0.68 CC/C=C/CC(=O)NCCCCCCCCC WXVL_AK1826SB0349 [0,0,1,0,0,0|1,0,2]=4 22 B16R0.68 CCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0490 [0,0,1,0,0,0|2,0,1]=4 23 B16R0.68 CCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0490 [0,0,1,0,0,0|2,0,1]=4 24 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [0,0,1,0,0,0|1,0,0]=2 25 B16R0.68 CCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0490 [0,0,1,0,0,0|1,0,0]=2 26 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [0,0,1,0,0,0|2,0,0]=3 27 B16R0.68 CCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0490 [0,0,1,0,0,0|2,0,0]=3 28 B16R0.68 CCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0490 [0,0,1,0,0,0|2,0,0]=3 29 B16R0.68 CCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0490 [0,0,1,0,0,0|2,0,0]=3 30 B16R0.68 CCCCCCCCCNC(=O)CCCCBr WXVL_AK1826SB3153 [0,0,1,0,0,0|2,0,0]=3 31 B16R0.68 CCCCCCCCCNC(=O)CCCCBr WXVL_AK1826SB3153 [0,0,1,0,0,0|2,0,0]=3 32 B16R0.68 CCCCCCCCCNC(=O)CCCCCl WXVL_AK1826SB0379 [0,0,1,0,0,0|2,0,0]=3 33 B16R0.68 CCCCCCCCCNC(=O)CCCCCl WXVL_AK1826SB0379 [0,0,1,0,0,0|2,0,0]=3 34 B16R0.68 CCCCCCCCCNC(=O)NCCCCl WXVL_AK1826YV0130 [0,0,1,0,0,0|3,0,0]=4 35 B16R0.68 CCCCCCCCCNC(=O)NCCCCl WXVL_AK1826YV0130 [0,0,1,0,0,0|3,0,0]=4 36 B16R0.68 O=C(CCCCBr)NCCCCCCCCO WXVL_AK4142SB3153 [0,0,1,0,0,0|3,0,0]=4 37 B16R0.68 O=C(CCCCBr)NCCCCCCCCO WXVL_AK4142SB3153 [0,0,1,0,0,0|3,0,0]=4 38 B16R0.68 O=C(CCCCCl)NCCCCCCCCO WXVL_AK4142SB0379 [0,0,1,0,0,0|3,0,0]=4 39 B16R0.68 O=C(CCCCCl)NCCCCCCCCO WXVL_AK4142SB0379 [0,0,1,0,0,0|3,0,0]=4 40 B16R0.136 C#CCCCCNC(=O)CCCCCCCC WXVL_AK00614SB0409 [0,0,1,0,0,0|1,0,2]=4 41 B16R0.136 C#CCCCCNC(=O)CCCCCCCC WXVL_AK00614SB0409 [0,0,1,0,0,0|1,0,2]=4 42 B16R0.136 CCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0393 [0,0,1,0,0,0|2,0,0]=3 43 B16R0.136 CCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0393 [0,0,1,0,0,0|2,0,0]=3 44 B16R0.136 CCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0393 [0,0,1,0,0,0|2,0,0]=3 45 B16R0.136 CCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0393 [0,0,1,0,0,0|2,0,0]=3 46 B16R0.136 CCCCCCCC(=O)NCCOCCOC WXVL_AK2206SB0393 [0,0,1,0,0,0|3,0,0]=4 47 B16R0.136 CCCCCCCC(=O)NCCOCCOC WXVL_AK2206SB0393 [0,0,1,0,0,0|3,0,0]=4 48 B16R0.136 CCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0409 [0,0,1,0,0,0|1,0,0]=2 49 B16R0.136 CCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0409 [0,0,1,0,0,0|1,0,0]=2 50 B16R0.136 CCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0409 [0,0,1,0,0,0|2,0,0]=3 51 B16R0.136 CCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0409 [0,0,1,0,0,0|2,0,0]=3 52 B16R0.136 CCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0409 [0,0,1,0,0,0|2,0,0]=3 53 B16R0.136 CCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0409 [0,0,1,0,0,0|2,0,0]=3 54 B16R0.136 CCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0409 [0,0,1,0,0,0|3,0,0]=4 55 B16R0.136 CCCCCCCCC(=O)NCCNCCO WXVL_AK0954SB0409 [0,0,1,0,0,0|3,0,0]=4 56 B16R0.136 CCCCCCNC(=O)CCCCCCCBr WXVL_AK0286SB0559 [0,0,1,0,0,0|2,0,0]=3 57 B16R0.136 CCCCCCNC(=O)CCCCCCCBr WXVL_AK0286SB0559 [0,0,1,0,0,0|2,0,0]=3 58 B16R0.136 CCCCCCNC(=O)CCCCCCCO WXVL_AK0286SB1306 [0,0,1,0,0,0|2,0,0]=3 59 B16R0.136 CCCCCCNC(=O)CCCCCCCO WXVL_AK0286SB1306 [0,0,1,0,0,0|2,0,0]=3 60 B16R0.136 CCCCOCCNC(=O)CCCCCCBr WXVL_AK9674SB1386 [0,0,1,0,0,0|3,0,0]=4 61 B16R0.136 CCCCOCCNC(=O)CCCCCCBr WXVL_AK9674SB1386 [0,0,1,0,0,0|3,0,0]=4 62 B16R0.136 CCOCCCNC(=O)CCCCCCCBr WXVL_AK0072SB0559 [0,0,1,0,0,0|3,0,0]=4 63 B16R0.136 CCOCCCNC(=O)CCCCCCCBr WXVL_AK0072SB0559 [0,0,1,0,0,0|3,0,0]=4 64 B16R0.136 CCOCCCNC(=O)CCCCCCCO WXVL_AK0072SB1306 [0,0,1,0,0,0|3,0,0]=4 65 B16R0.136 CCOCCCNC(=O)CCCCCCCO WXVL_AK0072SB1306 [0,0,1,0,0,0|3,0,0]=4 66 B16R0.136 O=C(CCCCCCBr)NCCCCCCO WXVL_AK0751SB1386 [0,0,1,0,0,0|3,0,0]=4 67 B16R0.136 O=C(CCCCCCBr)NCCCCCCO WXVL_AK0751SB1386 [0,0,1,0,0,0|3,0,0]=4 68 B16R0.136 O=C(CCCCCCCBr)NCCCCCO WXVL_AK0077SB0559 [0,0,1,0,0,0|3,0,0]=4 69 B16R0.136 O=C(CCCCCCCBr)NCCCCCO WXVL_AK0077SB0559 [0,0,1,0,0,0|3,0,0]=4 70 B16R0.136 O=C(CCCCCCCO)NCCCCCO WXVL_AK0077SB1306 [0,0,1,0,0,0|3,0,0]=4 71 B16R0.136 O=C(CCCCCCCO)NCCCCCO WXVL_AK0077SB1306 [0,0,1,0,0,0|3,0,0]=4 72 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,0,1,0,0,0|1,0,2]=4 73 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,0,1,0,0,0|1,0,2]=4 74 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,0,1,0,0,0|1,0,0]=2 75 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,0,1,0,0,0|1,0,0]=2 76 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,0,1,0,0,0|1,0,0]=2 77 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,0,1,0,0,0|1,0,0]=2 78 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,0,1,0,0,0|2,0,0]=3 79 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,0,1,0,0,0|2,0,0]=3 80 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,0,1,0,0,0|2,0,0]=3 81 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,0,1,0,0,0|2,0,0]=3 82 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,0,1,0,0,0|2,0,0]=3 83 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,0,1,0,0,0|2,0,0]=3 84 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,0,1,0,0,0|1,0,0]=2 85 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,0,1,0,0,0|1,0,0]=2 86 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,0,1,0,0,0|1,0,0]=2 87 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,0,1,0,0,0|1,0,0]=2 88 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,0,1,0,0,0|1,0,2]=4 89 B16R0.661 C#CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB2189 [0,0,1,0,0,0|1,0,2]=4 90 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,0,1,0,0,0|1,0,2]=4 91 B16R0.661 C=CCCC(=O)NCCCCCCCCCC WXVL_AK1845SB1035 [0,0,1,0,0,0|1,0,2]=4 92 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [0,0,1,0,0,0|1,0,2]=4 93 B16R0.661 C=CCNC(=O)CCCCCCCCCCC WXVL_AK00561SB2796 [0,0,1,0,0,0|1,0,2]=4 94 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [0,0,1,0,0,0|2,0,1]=4 95 B16R0.661 CCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2796 [0,0,1,0,0,0|2,0,1]=4 96 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,0,1,0,0,0|1,0,0]=2 97 B16R0.661 CCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2796 [0,0,1,0,0,0|1,0,0]=2 98 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,0,1,0,0,0|2,0,0]=3 99 B16R0.661 CCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2796 [0,0,1,0,0,0|2,0,0]=3 100 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,0,1,0,0,0|2,0,0]=3 101 B16R0.661 CCCCCCCCCCNC(=O)CCOC WXVL_AK1845SB0156 [0,0,1,0,0,0|2,0,0]=3 102 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,0,1,0,0,0|2,0,0]=3 103 B16R0.661 CCCCCCCCCCNC(=O)CCSC WXVL_AK1845SB0361 [0,0,1,0,0,0|2,0,0]=3 104 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,0,1,0,0,0|2,0,0]=3 105 B16R0.661 CCCCCCCCCCNC(=O)COCC WXVL_AK1845SB0091 [0,0,1,0,0,0|2,0,0]=3 106 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,0,1,0,0,0|2,0,0]=3 107 B16R0.661 CCCCCCCCCCNC(=O)CSCC WXVL_AK1845SB0002 [0,0,1,0,0,0|2,0,0]=3 108 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,0,1,0,0,0|3,0,0]=4 109 B16R0.661 CCCCCCCCCCNC(=O)NCCCl WXVL_AK1845YV0092 [0,0,1,0,0,0|3,0,0]=4 110 B16R0.6603 C#CCCCNC(=O)CCCCCCCCC WXVL_AK00218SB0447 [0,0,1,0,0,0|1,0,2]=4 111 B16R0.6603 C#CCCCNC(=O)CCCCCCCCC WXVL_AK00218SB0447 [0,0,1,0,0,0|1,0,2]=4 112 B16R0.6603 CCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0447 [0,0,1,0,0,0|1,0,0]=2 113 B16R0.6603 CCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0447 [0,0,1,0,0,0|1,0,0]=2 114 B16R0.6603 CCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0447 [0,0,1,0,0,0|2,0,0]=3 115 B16R0.6603 CCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0447 [0,0,1,0,0,0|2,0,0]=3 116 B16R0.6603 CCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0447 [0,0,1,0,0,0|2,0,0]=3 117 B16R0.6603 CCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0447 [0,0,1,0,0,0|2,0,0]=3 118 B16R0.6603 CCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0447 [0,0,1,0,0,0|2,0,0]=3 119 B16R0.6603 CCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0447 [0,0,1,0,0,0|2,0,0]=3 120 B16R0.6603 CCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0447 [0,0,1,0,0,0|2,0,0]=3 121 B16R0.6603 CCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0447 [0,0,1,0,0,0|2,0,0]=3 122 B16R0.6603 CCCCCCCCNC(=O)CCCCCBr WXVL_AK1818SB2192 [0,0,1,0,0,0|2,0,0]=3 123 B16R0.6603 CCCCCCCCNC(=O)CCCCCBr WXVL_AK1818SB2192 [0,0,1,0,0,0|2,0,0]=3 124 B16R0.6603 CCCCCCCCNC(=O)CCCCCO WXVL_AK1818SB2973 [0,0,1,0,0,0|2,0,0]=3 125 B16R0.6603 CCCCCCCCNC(=O)CCCCCO WXVL_AK1818SB2973 [0,0,1,0,0,0|2,0,0]=3 126 B16R0.6603 CCCCCCCCNC(=O)COCCOC WXVL_AK1818SB0159 [0,0,1,0,0,0|3,0,0]=4 127 B16R0.6603 CCCCCCCCNC(=O)COCCOC WXVL_AK1818SB0159 [0,0,1,0,0,0|3,0,0]=4 128 B16R0.6603 CCCCCCCCNC(=O)NCCCCC WXVL_AK0076YV0182 [0,0,1,0,0,0|2,0,0]=3 129 B16R0.6603 CCCCCCCCNC(=O)NCCCCC WXVL_AK0076YV0182 [0,0,1,0,0,0|2,0,0]=3 130 B16R0.6603 CCCCCCCCNC(=O)NCCCCO WXVL_AK0075YV0182 [0,0,1,0,0,0|3,0,0]=4 131 B16R0.6603 CCCCCCCCNC(=O)NCCCCO WXVL_AK0075YV0182 [0,0,1,0,0,0|3,0,0]=4 132 B16R0.6603 CCCCCCCCNC(=O)NCCCOC WXVL_AK00637YV0182 [0,0,1,0,0,0|3,0,0]=4 133 B16R0.6603 CCCCCCCCNC(=O)NCCCOC WXVL_AK00637YV0182 [0,0,1,0,0,0|3,0,0]=4 134 B16R0.6603 CCCCCCCCNC(=O)NCCCSC WXVL_AK0965YV0182 [0,0,1,0,0,0|3,0,0]=4 135 B16R0.6603 CCCCCCCCNC(=O)NCCCSC WXVL_AK0965YV0182 [0,0,1,0,0,0|3,0,0]=4 136 B16R0.6603 CCCCCCCCNC(=O)NCCSCC WXVL_AK00494YV0182 [0,0,1,0,0,0|3,0,0]=4 137 B16R0.6603 CCCCCCCCNC(=O)NCCSCC WXVL_AK00494YV0182 [0,0,1,0,0,0|3,0,0]=4 138 B16R0.6603 CCCCOCCCNC(=O)CCCCCBr WXVL_AK2310SB2192 [0,0,1,0,0,0|3,0,0]=4 139 B16R0.6603 CCCCOCCCNC(=O)CCCCCBr WXVL_AK2310SB2192 [0,0,1,0,0,0|3,0,0]=4 140 B16R0.6603 CCCCOCCCNC(=O)CCCCCO WXVL_AK2310SB2973 [0,0,1,0,0,0|3,0,0]=4 141 B16R0.6603 CCCCOCCCNC(=O)CCCCCO WXVL_AK2310SB2973 [0,0,1,0,0,0|3,0,0]=4 142 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [1,0,1,0,0,0|2,0,0]=4 143 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [1,0,1,0,0,0|2,0,0]=4 144 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [1,0,1,0,0,0|1,0,0]=3 145 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [1,0,1,0,0,0|1,0,0]=3 146 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [1,0,1,0,0,0|2,0,0]=4 147 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [1,0,1,0,0,0|2,0,0]=4 148 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [1,0,1,0,0,0|1,0,0]=3 149 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [1,0,1,0,0,0|1,0,0]=3 150 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [1,0,1,0,0,0|1,0,0]=3 151 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [1,0,1,0,0,0|1,0,0]=3 152 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [1,0,1,0,0,0|2,0,0]=4 153 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [1,0,1,0,0,0|2,0,0]=4 154 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [1,0,1,0,0,0|2,0,0]=4 155 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [1,0,1,0,0,0|2,0,0]=4 156 B15R0.322 CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0447 [1,0,1,0,0,0|1,0,0]=3 157 B15R0.322 CCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0447 [1,0,1,0,0,0|1,0,0]=3 158 B15R0.322 CCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0447 [1,0,1,0,0,0|2,0,0]=4 159 B15R0.322 CCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0447 [1,0,1,0,0,0|2,0,0]=4 160 B15R0.322 CCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0447 [1,0,1,0,0,0|2,0,0]=4 161 B15R0.322 CCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0447 [1,0,1,0,0,0|2,0,0]=4 162 B15R0.322 CCCCCCCCNC(=O)CCCCBr WXVL_AK1818SB3153 [1,0,1,0,0,0|2,0,0]=4 163 B15R0.322 CCCCCCCCNC(=O)CCCCBr WXVL_AK1818SB3153 [1,0,1,0,0,0|2,0,0]=4 164 B15R0.322 CCCCCCCCNC(=O)CCCCCl WXVL_AK1818SB0379 [1,0,1,0,0,0|2,0,0]=4 165 B15R0.322 CCCCCCCCNC(=O)CCCCCl WXVL_AK1818SB0379 [1,0,1,0,0,0|2,0,0]=4 166 B15R0.322 CCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0182 [1,0,1,0,0,0|2,0,0]=4 167 B15R0.322 CCCCCCCCNC(=O)NCCCC WXVL_AK00588YV0182 [1,0,1,0,0,0|2,0,0]=4 168 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [1,0,1,0,0,0|1,0,0]=3 169 B15R0.2002 CCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0490 [1,0,1,0,0,0|1,0,0]=3 170 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [1,0,1,0,0,0|2,0,0]=4 171 B15R0.2002 CCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0490 [1,0,1,0,0,0|2,0,0]=4 172 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [1,0,1,0,0,0|2,0,0]=4 173 B15R0.2002 CCCCCCCCCNC(=O)CCOC WXVL_AK1826SB0156 [1,0,1,0,0,0|2,0,0]=4 174 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [1,0,1,0,0,0|2,0,0]=4 175 B15R0.2002 CCCCCCCCCNC(=O)CCSC WXVL_AK1826SB0361 [1,0,1,0,0,0|2,0,0]=4 176 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [1,0,1,0,0,0|2,0,0]=4 177 B15R0.2002 CCCCCCCCCNC(=O)COCC WXVL_AK1826SB0091 [1,0,1,0,0,0|2,0,0]=4 178 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [1,0,1,0,0,0|2,0,0]=4 179 B15R0.2002 CCCCCCCCCNC(=O)CSCC WXVL_AK1826SB0002 [1,0,1,0,0,0|2,0,0]=4 180 B15R0.133 CCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0393 [1,0,1,0,0,0|1,0,0]=3 181 B15R0.133 CCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0393 [1,0,1,0,0,0|1,0,0]=3 182 B15R0.133 CCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0393 [1,0,1,0,0,0|2,0,0]=4 183 B15R0.133 CCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0393 [1,0,1,0,0,0|2,0,0]=4 184 B15R0.133 CCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0393 [1,0,1,0,0,0|2,0,0]=4 185 B15R0.133 CCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0393 [1,0,1,0,0,0|2,0,0]=4 186 B15R0.133 CCCCCCNC(=O)CCCCCCBr WXVL_AK0286SB1386 [1,0,1,0,0,0|2,0,0]=4 187 B15R0.133 CCCCCCNC(=O)CCCCCCBr WXVL_AK0286SB1386 [1,0,1,0,0,0|2,0,0]=4 188 B15R0.149 CCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0409 [1,0,1,0,0,0|1,0,0]=3 189 B15R0.149 CCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0409 [1,0,1,0,0,0|1,0,0]=3 190 B15R0.149 CCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0409 [1,0,1,0,0,0|2,0,0]=4 191 B15R0.149 CCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0409 [1,0,1,0,0,0|2,0,0]=4 192 B15R0.149 CCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0409 [1,0,1,0,0,0|2,0,0]=4 193 B15R0.149 CCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0409 [1,0,1,0,0,0|2,0,0]=4 194 B15R0.149 CCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0409 [1,0,1,0,0,0|2,0,0]=4 195 B15R0.149 CCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0409 [1,0,1,0,0,0|2,0,0]=4 196 B15R0.149 CCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0409 [1,0,1,0,0,0|2,0,0]=4 197 B15R0.149 CCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0409 [1,0,1,0,0,0|2,0,0]=4 198 B15R0.149 CCCCCNC(=O)CCCCCCCBr WXVL_AK0076SB0559 [1,0,1,0,0,0|2,0,0]=4 199 B15R0.149 CCCCCNC(=O)CCCCCCCBr WXVL_AK0076SB0559 [1,0,1,0,0,0|2,0,0]=4 200 B15R0.149 CCCCCNC(=O)CCCCCCCO WXVL_AK0076SB1306 [1,0,1,0,0,0|2,0,0]=4 201 B15R0.149 CCCCCNC(=O)CCCCCCCO WXVL_AK0076SB1306 [1,0,1,0,0,0|2,0,0]=4 202 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [1,0,1,0,0,0|1,0,0]=3 203 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [1,0,1,0,0,0|1,0,0]=3 204 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [1,0,1,0,0,0|1,0,0]=3 205 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [1,0,1,0,0,0|1,0,0]=3 206 B17R0.116 CC(C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0063 [0,1,1,0,0,0|2,0,0]=4 207 B17R0.116 CC(C)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0063 [0,1,1,0,0,0|2,0,0]=4 208 B17R0.116 CC(C)NC(=O)CCCCCCCCCCCBr WXVL_AK0030SB0603 [0,1,1,0,0,0|2,0,0]=4 209 B17R0.116 CC(C)NC(=O)CCCCCCCCCCCBr WXVL_AK0030SB0603 [0,1,1,0,0,0|2,0,0]=4 210 B17R0.116 CC(O)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB3643 [0,1,1,0,0,0|2,0,0]=4 211 B17R0.116 CC(O)CC(=O)NCCCCCCCCCCO WXVL_AK3148SB3643 [0,1,1,0,0,0|2,0,0]=4 212 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0547 [0,1,1,0,0,0|1,0,0]=3 213 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0547 [0,1,1,0,0,0|1,0,0]=3 214 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC WXVL_AK00561SB0547 [0,1,1,0,0,0|1,0,1]=4 215 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC WXVL_AK00561SB0547 [0,1,1,0,0,0|1,0,1]=4 216 B17R0.196 CCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0547 [0,1,1,0,0,0|1,0,1]=4 217 B17R0.196 CCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0547 [0,1,1,0,0,0|1,0,1]=4 218 B17R0.196 CCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0547 [0,1,1,0,0,0|1,0,0]=3 219 B17R0.196 CCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0547 [0,1,1,0,0,0|1,0,0]=3 220 B17R0.196 CCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0547 [0,1,1,0,0,0|1,0,0]=3 221 B17R0.196 CCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0547 [0,1,1,0,0,0|1,0,0]=3 222 B17R0.196 CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00504SB0603 [0,1,1,0,0,0|2,0,0]=4 223 B17R0.196 CCCNC(=O)CCCCCCCCCCCBr WXVL_AK00504SB0603 [0,1,1,0,0,0|2,0,0]=4 224 B17R0.196 CCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0091 [0,1,1,0,0,0|2,0,0]=4 225 B17R0.196 CCOCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0091 [0,1,1,0,0,0|2,0,0]=4 226 B17R0.196 CCSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0002 [0,1,1,0,0,0|2,0,0]=4 227 B17R0.196 CCSCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0002 [0,1,1,0,0,0|2,0,0]=4 228 B17R0.196 COCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0156 [0,1,1,0,0,0|2,0,0]=4 229 B17R0.196 COCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0156 [0,1,1,0,0,0|2,0,0]=4 230 B17R0.196 CSCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0361 [0,1,1,0,0,0|2,0,0]=4 231 B17R0.196 CSCCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0361 [0,1,1,0,0,0|2,0,0]=4 232 B17R0.196 O=C(CCCCCCCCCCCBr)NCCF WXVL_AK00466SB0603 [0,1,1,0,0,0|2,0,0]=4 233 B17R0.196 O=C(CCCCCCCCCCCBr)NCCF WXVL_AK00466SB0603 [0,1,1,0,0,0|2,0,0]=4 234 B17R0.231 CCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1826SB3094 [0,1,1,0,0,0|1,0,1]=4 235 B17R0.231 CCCCCCCCCNC(=O)CC(=O)OCC WXVL_AK1826SB3094 [0,1,1,0,0,0|1,0,1]=4 236 B17R0.250 C/C=C/C(=O)NCCCCCCCCCCCC WXVL_AK1886SB0340 [0,1,1,0,0,0|1,0,1]=4 237 B17R0.250 C/C=C/C(=O)NCCCCCCCCCCCC WXVL_AK1886SB0340 [0,1,1,0,0,0|1,0,1]=4 238 B17R0.250 CC#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB1240 [0,1,1,0,0,0|1,0,1]=4 239 B17R0.250 CC#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB1240 [0,1,1,0,0,0|1,0,1]=4 240 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,1,1,0,0,0|1,0,0]=3 241 B17R0.250 CCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0562 [0,1,1,0,0,0|1,0,0]=3 242 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,1,1,0,0,0|1,0,0]=3 243 B17R0.250 CCCCCCCCCCCCNC(=O)CCC WXVL_AK1886SB0073 [0,1,1,0,0,0|1,0,0]=3 244 B17R0.250 CCCCCCCCCCCCNC(=O)COC WXVL_AK1886SB0090 [0,1,1,0,0,0|2,0,0]=4 245 B17R0.250 CCCCCCCCCCCCNC(=O)COC WXVL_AK1886SB0090 [0,1,1,0,0,0|2,0,0]=4 246 B17R0.250 CCCCCCCCCCCCNC(=O)CSC WXVL_AK1886SB1267 [0,1,1,0,0,0|2,0,0]=4 247 B17R0.250 CCCCCCCCCCCCNC(=O)CSC WXVL_AK1886SB1267 [0,1,1,0,0,0|2,0,0]=4 248 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [0,1,1,0,0,0|1,0,0]=3 249 B17R0.250 CCCCCCCCCCCCNC(=O)NCC WXVL_AK00476YV0205 [0,1,1,0,0,0|1,0,0]=3 250 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0409 [0,1,1,0,0,0|1,0,1]=4 251 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0409 [0,1,1,0,0,0|1,0,1]=4 252 B17R0.3112 CCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0054 [0,1,1,0,0,0|2,0,0]=4 253 B17R0.3112 CCC(C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB0054 [0,1,1,0,0,0|2,0,0]=4 254 B17R0.3112 CC[C@@H](C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB00054 [0,1,1,0,0,0|2,0,0]=4 255 B17R0.3112 CC[C@@H](C)C(=O)NCCCCCCCCCCO WXVL_AK3148SB00054 [0,1,1,0,0,0|2,0,0]=4 256 B17R0.3112 CC[C@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3573 [0,1,1,0,0,0|2,0,0]=4 257 B17R0.3112 CC[C@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB3573 [0,1,1,0,0,0|2,0,0]=4 258 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0325 [0,1,1,0,0,0|2,0,0]=4 259 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0325 [0,1,1,0,0,0|2,0,0]=4 260 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1845SB4144 [0,1,1,0,0,0|1,0,1]=4 261 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC WXVL_AK1845SB4144 [0,1,1,0,0,0|1,0,1]=4 262 B17R0.38 CC(C)CCCC(=O)NCCCCCCCCO WXVL_AK4142SB1301 [0,1,1,0,0,0|2,0,0]=4 263 B17R0.38 CC(C)CCCC(=O)NCCCCCCCCO WXVL_AK4142SB1301 [0,1,1,0,0,0|2,0,0]=4 264 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB0490 [0,1,1,0,0,0|1,0,0]=3 265 B17R0.38 CCCCCCCCCCC(=O)NCCC(C)C WXVL_AK0068SB0490 [0,1,1,0,0,0|1,0,0]=3 266 B17R0.38 CCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB0490 [0,1,1,0,0,0|2,0,0]=4 267 B17R0.38 CCCCCCCCCCC(=O)NCCN(C)C WXVL_AK0058SB0490 [0,1,1,0,0,0|2,0,0]=4 268 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C WXVL_AK1826SB1301 [0,1,1,0,0,0|1,0,0]=3 269 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C WXVL_AK1826SB1301 [0,1,1,0,0,0|1,0,0]=3 270 B17R0.38 CCCCCCCCCNC(=O)CCCN(C)C WXVL_AK1826SB00055 [0,1,1,0,0,0|2,0,0]=4 271 B17R0.38 CCCCCCCCCNC(=O)CCCN(C)C WXVL_AK1826SB00055 [0,1,1,0,0,0|2,0,0]=4 272 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,1,1,0,0,0|1,0,0]=3 273 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB2796 [0,1,1,0,0,0|1,0,0]=3 274 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,1,1,0,0,0|2,0,0]=4 275 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB2796 [0,1,1,0,0,0|2,0,0]=4 276 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2796 [0,1,1,0,0,0|2,0,0]=4 277 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB2796 [0,1,1,0,0,0|2,0,0]=4 278 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,1,1,0,0,0|2,0,0]=4 279 B17R0.3110 CCCCCCCCCCNC(=O)CCCCBr WXVL_AK1845SB3153 [0,1,1,0,0,0|2,0,0]=4 280 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,1,1,0,0,0|2,0,0]=4 281 B17R0.3110 CCCCCCCCCCNC(=O)CCCCCl WXVL_AK1845SB0379 [0,1,1,0,0,0|2,0,0]=4 282 B17R0.3110 CCCCCCCCCCNC(=O)NCCCCl WXVL_AK1845YV0130 [0,1,1,0,0,0|2,0,0]=4 283 B17R0.3110 CCCCCCCCCCNC(=O)NCCCCl WXVL_AK1845YV0130 [0,1,1,0,0,0|2,0,0]=4 284 B17R0.12319 CCCCCCCCCCS(=O)(=O)NCCCC WXVL_AK00588HU0549 [0,1,1,0,0,0|2,0,0]=4 285 B17R0.12319 CCCCCCCCCCS(=O)(=O)NCCCC WXVL_AK00588HU0549 [0,1,1,0,0,0|2,0,0]=4 286 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC WXVL_AK00218SB0490 [0,1,1,0,0,0|1,0,1]=4 287 B17R0.12412 C#CCCCNC(=O)CCCCCCCCCC WXVL_AK00218SB0490 [0,1,1,0,0,0|1,0,1]=4 288 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0490 [0,1,1,0,0,0|1,0,0]=3 289 B17R0.12412 CCCCCCCCCCC(=O)NCCCCC WXVL_AK0076SB0490 [0,1,1,0,0,0|1,0,0]=3 290 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0490 [0,1,1,0,0,0|1,0,0]=3 291 B17R0.12412 CCCCCCCCCCC(=O)NCCCCO WXVL_AK0075SB0490 [0,1,1,0,0,0|1,0,0]=3 292 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0490 [0,1,1,0,0,0|1,0,0]=3 293 B17R0.12412 CCCCCCCCCCC(=O)NCCCOC WXVL_AK00637SB0490 [0,1,1,0,0,0|1,0,0]=3 294 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0490 [0,1,1,0,0,0|1,0,0]=3 295 B17R0.12412 CCCCCCCCCCC(=O)NCCCSC WXVL_AK0965SB0490 [0,1,1,0,0,0|1,0,0]=3 296 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0490 [0,1,1,0,0,0|1,0,0]=3 297 B17R0.12412 CCCCCCCCCCC(=O)NCCSCC WXVL_AK00494SB0490 [0,1,1,0,0,0|1,0,0]=3 298 B17R0.12412 CCCCCCCCCNC(=O)CCCCCBr WXVL_AK1826SB2192 [0,1,1,0,0,0|1,0,0]=3 299 B17R0.12412 CCCCCCCCCNC(=O)CCCCCBr WXVL_AK1826SB2192 [0,1,1,0,0,0|1,0,0]=3 300 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO WXVL_AK1826SB2973 [0,1,1,0,0,0|1,0,0]=3 301 B17R0.12412 CCCCCCCCCNC(=O)CCCCCO WXVL_AK1826SB2973 [0,1,1,0,0,0|1,0,0]=3 302 B17R0.12412 CCCCCCCCCNC(=O)COCCOC WXVL_AK1826SB0159 [0,1,1,0,0,0|2,0,0]=4 303 B17R0.12412 CCCCCCCCCNC(=O)COCCOC WXVL_AK1826SB0159 [0,1,1,0,0,0|2,0,0]=4 304 B17R0.12412 O=C(CCCCCBr)NCCCCCCCCO WXVL_AK4142SB2192 [0,1,1,0,0,0|2,0,0]=4 305 B17R0.12412 O=C(CCCCCBr)NCCCCCCCCO WXVL_AK4142SB2192 [0,1,1,0,0,0|2,0,0]=4 306 B17R0.12412 O=C(CCCCCO)NCCCCCCCCO WXVL_AK4142SB2973 [0,1,1,0,0,0|2,0,0]=4 307 B17R0.12412 O=C(CCCCCO)NCCCCCCCCO WXVL_AK4142SB2973 [0,1,1,0,0,0|2,0,0]=4 308 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0490 [0,1,1,0,0,0|2,0,0]=4 309 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0490 [0,1,1,0,0,0|2,0,0]=4 310 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0490 [0,1,1,0,0,0|2,0,0]=4 311 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0490 [0,1,1,0,0,0|2,0,0]=4 312 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0490 [0,1,1,0,0,0|2,0,0]=4 313 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0490 [0,1,1,0,0,0|2,0,0]=4 314 B17R0.12416 CCCCC(O)C(=O)NCCCCCCCCO WXVL_AK4142SB3429 [0,1,1,0,0,0|2,0,0]=4 315 B17R0.12416 CCCCC(O)C(=O)NCCCCCCCCO WXVL_AK4142SB3429 [0,1,1,0,0,0|2,0,0]=4 316 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB0490 [0,1,1,0,0,0|2,0,0]=4 317 B17R0.12416 CCCCCCCCCCC(=O)N(C)CCOC WXVL_AN0085SB0490 [0,1,1,0,0,0|2,0,0]=4 318 B17R0.12416 CCCCCCCCCNC(=O)C(O)CCCC WXVL_AK1826SB3429 [0,1,1,0,0,0|1,0,0]=3 319 B17R0.12416 CCCCCCCCCNC(=O)C(O)CCCC WXVL_AK1826SB3429 [0,1,1,0,0,0|1,0,0]=3 320 B17R0.78 CCCCCCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0393 [0,1,1,0,0,0|2,0,0]=4 321 B17R0.78 CCCCCCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0393 [0,1,1,0,0,0|2,0,0]=4 322 B17R0.101 CCCCCCCCC(=O)NCCCCN(C)C WXVL_AK0097SB0409 [0,1,1,0,0,0|2,0,0]=4 323 B17R0.101 CCCCCCCCC(=O)NCCCCN(C)C WXVL_AK0097SB0409 [0,1,1,0,0,0|2,0,0]=4 324 B17R0.104 CCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0409 [0,1,1,0,0,0|1,0,0]=3 325 B17R0.104 CCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0409 [0,1,1,0,0,0|1,0,0]=3 326 B17R0.104 CCCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0409 [0,1,1,0,0,0|1,0,0]=3 327 B17R0.104 CCCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0409 [0,1,1,0,0,0|1,0,0]=3 328 B17R0.104 CCCCCCCCC(=O)NCCOCCOC WXVL_AK2206SB0409 [0,1,1,0,0,0|2,0,0]=4 329 B17R0.104 CCCCCCCCC(=O)NCCOCCOC WXVL_AK2206SB0409 [0,1,1,0,0,0|2,0,0]=4 330 B17R0.104 CCCCOCCNC(=O)CCCCCCCBr WXVL_AK9674SB0559 [0,1,1,0,0,0|2,0,0]=4 331 B17R0.104 CCCCOCCNC(=O)CCCCCCCBr WXVL_AK9674SB0559 [0,1,1,0,0,0|2,0,0]=4 332 B17R0.104 CCCCOCCNC(=O)CCCCCCCO WXVL_AK9674SB1306 [0,1,1,0,0,0|2,0,0]=4 333 B17R0.104 CCCCOCCNC(=O)CCCCCCCO WXVL_AK9674SB1306 [0,1,1,0,0,0|2,0,0]=4 334 B17R0.104 O=C(CCCCCCCBr)NCCCCCCO WXVL_AK0751SB0559 [0,1,1,0,0,0|2,0,0]=4 335 B17R0.104 O=C(CCCCCCCBr)NCCCCCCO WXVL_AK0751SB0559 [0,1,1,0,0,0|2,0,0]=4 336 B17R0.104 O=C(CCCCCCCO)NCCCCCCO WXVL_AK0751SB1306 [0,1,1,0,0,0|2,0,0]=4 337 B17R0.104 O=C(CCCCCCCO)NCCCCCCO WXVL_AK0751SB1306 [0,1,1,0,0,0|2,0,0]=4 338 B17R0.796 CCCCCCCCS(=O)(=O)NCCCCCC WXVL_AK0286HU0331 [0,1,1,0,0,0|2,0,0]=4 339 B17R0.796 CCCCCCCCS(=O)(=O)NCCCCCC WXVL_AK0286HU0331 [0,1,1,0,0,0|2,0,0]=4 340 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCCO WXVL_AK0751SB1315 [0,1,1,0,0,0|2,0,0]=4 341 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCCO WXVL_AK0751SB1315 [0,1,1,0,0,0|2,0,0]=4 342 B17R0.5782 CCCCOCCNC(=O)CCC(C)CCCC WXVL_AK9674SB1315 [0,1,1,0,0,0|2,0,0]=4 343 B17R0.5782 CCCCOCCNC(=O)CCC(C)CCCC WXVL_AK9674SB1315 [0,1,1,0,0,0|2,0,0]=4 344 B17R0.8809 CCCCC/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB3331 [0,1,1,0,0,0|1,0,1]=4 345 B17R0.8809 CCCCC/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB3331 [0,1,1,0,0,0|1,0,1]=4 346 B17R0.8809 CCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0393 [0,1,1,0,0,0|1,0,0]=3 347 B17R0.8809 CCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0393 [0,1,1,0,0,0|1,0,0]=3 348 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0447 [0,1,1,0,0,0|1,0,0]=3 349 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0447 [0,1,1,0,0,0|1,0,0]=3 350 B17R0.8809 CCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0447 [0,1,1,0,0,0|2,0,0]=4 351 B17R0.8809 CCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0447 [0,1,1,0,0,0|2,0,0]=4 352 B17R0.8809 CCCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0447 [0,1,1,0,0,0|2,0,0]=4 353 B17R0.8809 CCCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0447 [0,1,1,0,0,0|2,0,0]=4 354 B17R0.8809 CCCCCCCCNC(=O)CCCCCCBr WXVL_AK1818SB1386 [0,1,1,0,0,0|2,0,0]=4 355 B17R0.8809 CCCCCCCCNC(=O)CCCCCCBr WXVL_AK1818SB1386 [0,1,1,0,0,0|2,0,0]=4 356 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC WXVL_AK1818SB0393 [0,1,1,0,0,0|1,0,0]=3 357 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC WXVL_AK1818SB0393 [0,1,1,0,0,0|1,0,0]=3 358 B17R0.8809 CCCCCCCCNC(=O)NCCCCCC WXVL_AK0286YV0182 [0,1,1,0,0,0|1,0,0]=3 359 B17R0.8809 CCCCCCCCNC(=O)NCCCCCC WXVL_AK0286YV0182 [0,1,1,0,0,0|1,0,0]=3 360 B17R0.8809 CCCCCCCCNC(=O)NCCCCCO WXVL_AK0077YV0182 [0,1,1,0,0,0|2,0,0]=4 361 B17R0.8809 CCCCCCCCNC(=O)NCCCCCO WXVL_AK0077YV0182 [0,1,1,0,0,0|2,0,0]=4 362 B17R0.8809 CCCCCCCCNC(=O)NCCCOCC WXVL_AK0072YV0182 [0,1,1,0,0,0|2,0,0]=4 363 B17R0.8809 CCCCCCCCNC(=O)NCCCOCC WXVL_AK0072YV0182 [0,1,1,0,0,0|2,0,0]=4 364 B17R0.8809 CCCCOCCCNC(=O)CCCCCCBr WXVL_AK2310SB1386 [0,1,1,0,0,0|2,0,0]=4 365 B17R0.8809 CCCCOCCCNC(=O)CCCCCCBr WXVL_AK2310SB1386 [0,1,1,0,0,0|2,0,0]=4 366 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK0076SB3124 [0,1,1,0,0,0|1,0,1]=4 367 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK0076SB3124 [0,1,1,0,0,0|1,0,1]=4 368 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [0,1,1,0,0,0|1,0,1]=4 369 B17R0.195 C#CC(=O)NCCCCCCCCCCCCC WXVL_AK4135SB0338 [0,1,1,0,0,0|1,0,1]=4 370 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,1,1,0,0,0|1,0,0]=3 371 B17R0.195 CCC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0064 [0,1,1,0,0,0|1,0,0]=3 372 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,1,1,0,0,0|1,0,0]=3 373 B17R0.195 CCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0577 [0,1,1,0,0,0|1,0,0]=3 374 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,1,1,0,0,0|1,0,0]=3 375 B17R0.195 CCCCCCCCCCCCCNC(=O)CC WXVL_AK4135SB0064 [0,1,1,0,0,0|1,0,0]=3 376 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,1,1,0,0,0|2,0,0]=4 377 B17R0.195 CCCCCCCCCCCCCNC(=O)CO WXVL_AK4135SB2706 [0,1,1,0,0,0|2,0,0]=4 378 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,1,1,0,0,0|2,0,0]=4 379 B17R0.195 O=C(CO)NCCCCCCCCCCCCO WXVL_AK3055SB2706 [0,1,1,0,0,0|2,0,0]=4 380 B17R0.13601 CCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1845SB2790 [0,1,1,0,0,0|1,0,1]=4 381 B17R0.13601 CCCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1845SB2790 [0,1,1,0,0,0|1,0,1]=4 382 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0562 [0,1,1,0,0,0|1,0,0]=3 383 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0562 [0,1,1,0,0,0|1,0,0]=3 384 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1886SB0051 [0,1,1,0,0,0|1,0,1]=4 385 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)C WXVL_AK1886SB0051 [0,1,1,0,0,0|1,0,1]=4 386 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C WXVL_AK1886SB0052 [0,1,1,0,0,0|1,0,0]=3 387 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C WXVL_AK1886SB0052 [0,1,1,0,0,0|1,0,0]=3 388 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)S WXVL_AK1886SB2708 [0,1,1,0,0,0|1,0,0]=3 389 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)S WXVL_AK1886SB2708 [0,1,1,0,0,0|1,0,0]=3 390 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F WXVL_AK1886SB0079 [0,1,1,0,0,0|2,0,0]=4 391 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F WXVL_AK1886SB0079 [0,1,1,0,0,0|2,0,0]=4 392 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0205 [0,1,1,0,0,0|2,0,0]=4 393 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0205 [0,1,1,0,0,0|2,0,0]=4 394 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1886SB1085 [0,1,1,0,0,0|1,0,0]=3 395 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1886SB1085 [0,1,1,0,0,0|1,0,0]=3 396 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC WXVL_AK1886HU0028 [0,1,1,0,0,0|2,0,0]=4 397 B17R0.14367 CCCCCCCCCCCCNS(=O)(=O)CC WXVL_AK1886HU0028 [0,1,1,0,0,0|2,0,0]=4 398 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,1,1,0,0,0|1,0,0]=3 399 B17R0.43 CCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB2751 [0,1,1,0,0,0|1,0,0]=3 400 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,1,1,0,0,0|1,0,0]=3 401 B17R0.43 CCCCCCCCCCCCCCNC(=O)C WXVL_AK2576SB0150 [0,1,1,0,0,0|1,0,0]=3 402 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C WXVL_AK1845SB2824 [0,1,1,0,0,0|1,0,1]=4 403 B17R0.192 CCCCCCCCCCNC(=O)COC(=O)C WXVL_AK1845SB2824 [0,1,1,0,0,0|1,0,1]=4 404 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC WXVL_AK1845HU0031 [0,1,1,0,0,0|2,0,0]=4 405 B17R0.6422 CCCCCCCCCCNS(=O)(=O)CCCC WXVL_AK1845HU0031 [0,1,1,0,0,0|2,0,0]=4 406 B17R1.11019 O=C(NCCCCCCCCCCO)C1CC1 WXVL_AK3148SB0038 [0,0,1,1,0,0|2,0,0]=4 407 B17R1.11019 O=C(NCCCCCCCCCCO)C1CC1 WXVL_AK3148SB0038 [0,0,1,1,0,0|2,0,0]=4 408 B17R1.1308 CCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB0490 [0,0,1,1,0,0|1,0,0]=3 409 B17R1.1308 CCCCCCCCCCC(=O)N1CCCC1 WXVL_AN0008SB0490 [0,0,1,1,0,0|1,0,0]=3 410 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 WXVL_AK1826SB0043 [0,0,1,1,0,0|1,0,0]=3 411 B17R1.1308 CCCCCCCCCNC(=O)C1CCCC1 WXVL_AK1826SB0043 [0,0,1,1,0,0|1,0,0]=3 412 B17R1.1308 CCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1826SB1033 [0,0,1,1,0,0|2,0,0]=4 413 B17R1.1308 CCCCCCCCCNC(=O)C1CCCO1 WXVL_AK1826SB1033 [0,0,1,1,0,0|2,0,0]=4 414 B17R1.1308 CCCCCCCCCNC(=O)C1CCCS1 WXVL_AK1826SB0022 [0,0,1,1,0,0|2,0,0]=4 415 B17R1.1308 CCCCCCCCCNC(=O)C1CCCS1 WXVL_AK1826SB0022 [0,0,1,1,0,0|2,0,0]=4 416 B17R1.1308 CCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1826SB00043 [0,0,1,1,0,0|2,0,0]=4 417 B17R1.1308 CCCCCCCCCNC(=O)[C@H]1CCCO1 WXVL_AK1826SB00043 [0,0,1,1,0,0|2,0,0]=4 418 B17R1.1308 O=C(NCCCCCCCCO)C1CCCC1 WXVL_AK4142SB0043 [0,0,1,1,0,0|2,0,0]=4 419 B17R1.1308 O=C(NCCCCCCCCO)C1CCCC1 WXVL_AK4142SB0043 [0,0,1,1,0,0|2,0,0]=4 420 B17R1.1854 O=C(CCCCBr)NCCCC1CCCCC1 WXVL_AK4112SB3153 [0,0,1,1,0,0|2,0,0]=4 421 B17R1.1854 O=C(CCCCBr)NCCCC1CCCCC1 WXVL_AK4112SB3153 [0,0,1,1,0,0|2,0,0]=4 422 B17R1.1854 O=C(CCCCCl)NCCCC1CCCCC1 WXVL_AK4112SB0379 [0,0,1,1,0,0|2,0,0]=4 423 B17R1.1854 O=C(CCCCCl)NCCCC1CCCCC1 WXVL_AK4112SB0379 [0,0,1,1,0,0|2,0,0]=4 424 B17R1.26145 CCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB0490 [0,0,1,1,0,0|2,0,0]=4 425 B17R1.26145 CCCCCCCCCCC(=O)NC1CNC1 WXVL_AK1291SB0490 [0,0,1,1,0,0|2,0,0]=4 426 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB0490 [0,0,1,1,0,0|2,0,0]=4 427 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 WXVL_AK2089SB0490 [0,0,1,1,0,0|2,0,0]=4 428 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 WXVL_AK1826SB2207 [0,0,1,1,0,0|1,0,0]=3 429 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 WXVL_AK1826SB2207 [0,0,1,1,0,0|1,0,0]=3 430 B17R1.26145 O=C(CC1CCC1)NCCCCCCCCO WXVL_AK4142SB2207 [0,0,1,1,0,0|2,0,0]=4 431 B17R1.26145 O=C(CC1CCC1)NCCCCCCCCO WXVL_AK4142SB2207 [0,0,1,1,0,0|2,0,0]=4 432 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 WXVL_AK1826SB5360 [0,0,1,1,0,0|1,0,0]=3 433 B17R1.26146 CCCCCCCCCNC(=O)CCC1CC1 WXVL_AK1826SB5360 [0,0,1,1,0,0|1,0,0]=3 434 B17R1.26146 O=C(CCC1CC1)NCCCCCCCCO WXVL_AK4142SB5360 [0,0,1,1,0,0|2,0,0]=4 435 B17R1.26146 O=C(CCC1CC1)NCCCCCCCCO WXVL_AK4142SB5360 [0,0,1,1,0,0|2,0,0]=4 436 B17R1.1287 CCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0393 [0,0,1,1,0,0|2,0,0]=4 437 B17R1.1287 CCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0393 [0,0,1,1,0,0|2,0,0]=4 438 B17R1.1287 CCCCCCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0393 [0,0,1,1,0,0|2,0,0]=4 439 B17R1.1287 CCCCCCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0393 [0,0,1,1,0,0|2,0,0]=4 440 B17R1.1287 CCCCCCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0393 [0,0,1,1,0,0|2,0,0]=4 441 B17R1.1287 CCCCCCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0393 [0,0,1,1,0,0|2,0,0]=4 442 B17R1.1287 CCCCCCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0393 [0,0,1,1,0,0|2,0,0]=4 443 B17R1.1287 CCCCCCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0393 [0,0,1,1,0,0|2,0,0]=4 444 B17R1.1287 CCCCCCNC(=O)CCC1CCCCC1 WXVL_AK0286SB0049 [0,0,1,1,0,0|1,0,0]=3 445 B17R1.1287 CCCCCCNC(=O)CCC1CCCCC1 WXVL_AK0286SB0049 [0,0,1,1,0,0|1,0,0]=3 446 B17R1.1287 CCCCCCNC(=O)CCN1CCCCC1 WXVL_AK0286SB0127 [0,0,1,1,0,0|2,0,0]=4 447 B17R1.1287 CCCCCCNC(=O)CCN1CCCCC1 WXVL_AK0286SB0127 [0,0,1,1,0,0|2,0,0]=4 448 B17R1.1287 CCCCCCNC(=O)COC1CCCCC1 WXVL_AK0286SB3400 [0,0,1,1,0,0|2,0,0]=4 449 B17R1.1287 CCCCCCNC(=O)COC1CCCCC1 WXVL_AK0286SB3400 [0,0,1,1,0,0|2,0,0]=4 450 B17R1.1287 CCOCCCNC(=O)CCC1CCCCC1 WXVL_AK0072SB0049 [0,0,1,1,0,0|2,0,0]=4 451 B17R1.1287 CCOCCCNC(=O)CCC1CCCCC1 WXVL_AK0072SB0049 [0,0,1,1,0,0|2,0,0]=4 452 B17R1.1287 O=C(CCC1CCCCC1)NCCCCCO WXVL_AK0077SB0049 [0,0,1,1,0,0|2,0,0]=4 453 B17R1.1287 O=C(CCC1CCCCC1)NCCCCCO WXVL_AK0077SB0049 [0,0,1,1,0,0|2,0,0]=4 454 B17R1.1292 CCCCCCCCC(=O)NC1CCCCC1 WXVL_AK00480SB0409 [0,0,1,1,0,0|1,0,0]=3 455 B17R1.1292 CCCCCCCCC(=O)NC1CCCCC1 WXVL_AK00480SB0409 [0,0,1,1,0,0|1,0,0]=3 456 B17R1.1292 CCCCCCCCC(=O)NC1CCCOC1 WXVL_AK1073SB0409 [0,0,1,1,0,0|2,0,0]=4 457 B17R1.1292 CCCCCCCCC(=O)NC1CCCOC1 WXVL_AK1073SB0409 [0,0,1,1,0,0|2,0,0]=4 458 B17R1.1292 O=C(CCCCCCCBr)NC1CCCCC1 WXVL_AK00480SB0559 [0,0,1,1,0,0|2,0,0]=4 459 B17R1.1292 O=C(CCCCCCCBr)NC1CCCCC1 WXVL_AK00480SB0559 [0,0,1,1,0,0|2,0,0]=4 460 B17R1.1292 O=C(CCCCCCCO)NC1CCCCC1 WXVL_AK00480SB1306 [0,0,1,1,0,0|2,0,0]=4 461 B17R1.1292 O=C(CCCCCCCO)NC1CCCCC1 WXVL_AK00480SB1306 [0,0,1,1,0,0|2,0,0]=4 462 B17R1.1478 CCCCCCCCC(=O)NCC1CCCC1 WXVL_AK0303SB0409 [0,0,1,1,0,0|1,0,0]=3 463 B17R1.1478 CCCCCCCCC(=O)NCC1CCCC1 WXVL_AK0303SB0409 [0,0,1,1,0,0|1,0,0]=3 464 B17R1.1478 CCCCCCCCC(=O)NCC1CCOC1 WXVL_AK00634SB0409 [0,0,1,1,0,0|2,0,0]=4 465 B17R1.1478 CCCCCCCCC(=O)NCC1CCOC1 WXVL_AK00634SB0409 [0,0,1,1,0,0|2,0,0]=4 466 B17R1.1478 CCCCCCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0409 [0,0,1,1,0,0|2,0,0]=4 467 B17R1.1478 CCCCCCCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0409 [0,0,1,1,0,0|2,0,0]=4 468 B17R1.1478 CCCCCCCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0409 [0,0,1,1,0,0|2,0,0]=4 469 B17R1.1478 CCCCCCCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0409 [0,0,1,1,0,0|2,0,0]=4 470 B17R1.1478 CCCCOCCNC(=O)CCC1CCCC1 WXVL_AK9674SB0045 [0,0,1,1,0,0|2,0,0]=4 471 B17R1.1478 CCCCOCCNC(=O)CCC1CCCC1 WXVL_AK9674SB0045 [0,0,1,1,0,0|2,0,0]=4 472 B17R1.1478 O=C(CCC1CCCC1)NCCCCCCO WXVL_AK0751SB0045 [0,0,1,1,0,0|2,0,0]=4 473 B17R1.1478 O=C(CCC1CCCC1)NCCCCCCO WXVL_AK0751SB0045 [0,0,1,1,0,0|2,0,0]=4 474 B17R1.1478 O=C(CCCCCCCBr)NCC1CCCC1 WXVL_AK0303SB0559 [0,0,1,1,0,0|2,0,0]=4 475 B17R1.1478 O=C(CCCCCCCBr)NCC1CCCC1 WXVL_AK0303SB0559 [0,0,1,1,0,0|2,0,0]=4 476 B17R1.1478 O=C(CCCCCCCO)NCC1CCCC1 WXVL_AK0303SB1306 [0,0,1,1,0,0|2,0,0]=4 477 B17R1.1478 O=C(CCCCCCCO)NCC1CCCC1 WXVL_AK0303SB1306 [0,0,1,1,0,0|2,0,0]=4 478 B17R1.5200 CCCCCCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0393 [0,0,1,1,0,0|1,0,0]=3 479 B17R1.5200 CCCCCCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0393 [0,0,1,1,0,0|1,0,0]=3 480 B17R1.5200 O=C(CCCCCCBr)NCCC1CCCC1 WXVL_AK00531SB1386 [0,0,1,1,0,0|2,0,0]=4 481 B17R1.5200 O=C(CCCCCCBr)NCCC1CCCC1 WXVL_AK00531SB1386 [0,0,1,1,0,0|2,0,0]=4 482 B17R1.6947 CCCCCCCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0409 [0,0,1,1,0,0|1,0,0]=3 483 B17R1.6947 CCCCCCCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0409 [0,0,1,1,0,0|2,0,0]=4 484 B17R1.6947 CCCCCCCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0409 [0,0,1,1,0,0|2,0,0]=4 485 B17R1.6947 CCCCCCCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0409 [0,0,1,1,0,0|2,0,0]=4 486 B17R1.6947 C[C@H]1CCCCN1C(=O)CCCCCCCBr WXVL_AN00851SB0559 [0,0,1,1,0,0|2,0,0]=4 487 B17R1.6947 C[C@H]1CCCCN1C(=O)CCCCCCCO WXVL_AN00851SB1306 [0,0,1,1,0,0|2,0,0]=4 488 B17R1.6954 CCCCCCCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0409 [0,0,1,1,0,0|2,0,0]=4 489 B17R1.9246 CCCCCCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0393 [0,0,1,1,0,0|2,0,0]=4 490 B17R1.9246 CCCCCCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0393 [0,0,1,1,0,0|2,0,0]=4 491 B17R1.9267 CCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0393 [0,0,1,1,0,0|2,0,0]=4 492 B17R1.9267 CCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0393 [0,0,1,1,0,0|2,0,0]=4 493 B17R1.29476 CCCCCCCCC(=O)NCCC1CCC1 WXVL_AK2418SB0409 [0,0,1,1,0,0|1,0,0]=3 494 B17R1.29476 CCCCCCCCC(=O)NCCC1CCC1 WXVL_AK2418SB0409 [0,0,1,1,0,0|1,0,0]=3 495 B17R1.29476 O=C(CCCCCCCBr)NCCC1CCC1 WXVL_AK2418SB0559 [0,0,1,1,0,0|2,0,0]=4 496 B17R1.29476 O=C(CCCCCCCBr)NCCC1CCC1 WXVL_AK2418SB0559 [0,0,1,1,0,0|2,0,0]=4 497 B17R1.29476 O=C(CCCCCCCO)NCCC1CCC1 WXVL_AK2418SB1306 [0,0,1,1,0,0|2,0,0]=4 498 B17R1.29476 O=C(CCCCCCCO)NCCC1CCC1 WXVL_AK2418SB1306 [0,0,1,1,0,0|2,0,0]=4 499 B17R1.51073 CCCCCCCCC(=O)N1CCCOCC1 WXVL_AN00350SB0409 [0,0,1,1,0,0|2,0,0]=4 500 B17R1.51073 CCCCCCCCC(=O)N1CCCOCC1 WXVL_AN00350SB0409 [0,0,1,1,0,0|2,0,0]=4 501 B17R1.51073 CCCCOCCNC(=O)C1CCCCCC1 WXVL_AK9674SB0385 [0,0,1,1,0,0|2,0,0]=4 502 B17R1.51073 CCCCOCCNC(=O)C1CCCCCC1 WXVL_AK9674SB0385 [0,0,1,1,0,0|2,0,0]=4 503 B17R1.51073 O=C(NCCCCCCO)C1CCCCCC1 WXVL_AK0751SB0385 [0,0,1,1,0,0|2,0,0]=4 504 B17R1.51073 O=C(NCCCCCCO)C1CCCCCC1 WXVL_AK0751SB0385 [0,0,1,1,0,0|2,0,0]=4 505 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 WXVL_AK1845SB0042 [0,0,1,1,0,0|1,0,0]=3 506 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 WXVL_AK1845SB0042 [0,0,1,1,0,0|1,0,0]=3 507 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2796 [0,0,1,1,0,0|1,0,0]=3 508 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB2796 [0,0,1,1,0,0|1,0,0]=3 509 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 WXVL_AK1845SB0155 [0,0,1,1,0,0|1,0,0]=3 510 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 WXVL_AK1845SB0155 [0,0,1,1,0,0|1,0,0]=3 511 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0091 [0,0,1,1,0,0|2,0,0]=4 512 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0091 [0,0,1,1,0,0|2,0,0]=4 513 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0002 [0,0,1,1,0,0|2,0,0]=4 514 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0002 [0,0,1,1,0,0|2,0,0]=4 515 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0156 [0,0,1,1,0,0|2,0,0]=4 516 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0156 [0,0,1,1,0,0|2,0,0]=4 517 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0361 [0,0,1,1,0,0|2,0,0]=4 518 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0361 [0,0,1,1,0,0|2,0,0]=4 519 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C WXVL_AK1845SB0041 [0,0,1,1,0,0|1,0,0]=3 520 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C WXVL_AK1845SB0041 [0,0,1,1,0,0|1,0,0]=3 521 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1845SB1245 [0,0,1,1,0,0|2,0,0]=4 522 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK1845SB1245 [0,0,1,1,0,0|2,0,0]=4 523 B17R1.73265 CCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1845SB00019 [0,0,1,1,0,0|2,0,0]=4 524 B17R1.73265 CCCCCCCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK1845SB00019 [0,0,1,1,0,0|2,0,0]=4 525 B17R1.754 CCCCCCCCCC(=O)N1CCOCC1 WXVL_AN00478SB0447 [0,0,1,1,0,0|2,0,0]=4 526 B17R1.754 CCCCCCCCCC(=O)N1CCOCC1 WXVL_AN00478SB0447 [0,0,1,1,0,0|2,0,0]=4 527 B17R1.754 CCCCCCCCCC(=O)N1CCSCC1 WXVL_AN0896SB0447 [0,0,1,1,0,0|2,0,0]=4 528 B17R1.754 CCCCCCCCNC(=O)C1CCCCC1 WXVL_AK1818SB0047 [0,0,1,1,0,0|1,0,0]=3 529 B17R1.754 CCCCCCCCNC(=O)C1CCCCC1 WXVL_AK1818SB0047 [0,0,1,1,0,0|1,0,0]=3 530 B17R1.754 CCCCCCCCNC(=O)C1CCCCO1 WXVL_AK1818SB0206 [0,0,1,1,0,0|2,0,0]=4 531 B17R1.754 CCCCCCCCNC(=O)C1CCCCO1 WXVL_AK1818SB0206 [0,0,1,1,0,0|2,0,0]=4 532 B17R1.754 CCCCCCCCNC(=O)C1CCOCC1 WXVL_AK1818SB0149 [0,0,1,1,0,0|2,0,0]=4 533 B17R1.754 CCCCCCCCNC(=O)C1CCOCC1 WXVL_AK1818SB0149 [0,0,1,1,0,0|2,0,0]=4 534 B17R1.754 CCCCCCCCNC(=O)C1CCSCC1 WXVL_AK1818SB0752 [0,0,1,1,0,0|2,0,0]=4 535 B17R1.754 CCCCCCCCNC(=O)C1CCSCC1 WXVL_AK1818SB0752 [0,0,1,1,0,0|2,0,0]=4 536 B17R1.754 CCCCCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK1818SB00044 [0,0,1,1,0,0|2,0,0]=4 537 B17R1.754 CCCCCCCCNC(=O)[C@H]1CCCCO1 WXVL_AK1818SB00044 [0,0,1,1,0,0|2,0,0]=4 538 B17R1.754 CCCCOCCCNC(=O)C1CCCCC1 WXVL_AK2310SB0047 [0,0,1,1,0,0|2,0,0]=4 539 B17R1.754 CCCCOCCCNC(=O)C1CCCCC1 WXVL_AK2310SB0047 [0,0,1,1,0,0|2,0,0]=4 540 B17R1.1484 CCCCCCCCNC(=O)CC1CCCC1 WXVL_AK1818SB0044 [0,0,1,1,0,0|1,0,0]=3 541 B17R1.1484 CCCCCCCCNC(=O)CC1CCCC1 WXVL_AK1818SB0044 [0,0,1,1,0,0|1,0,0]=3 542 B17R1.1484 CCCCCCCCNC(=O)CN1CCCC1 WXVL_AK1818SB0201 [0,0,1,1,0,0|2,0,0]=4 543 B17R1.1484 CCCCCCCCNC(=O)CN1CCCC1 WXVL_AK1818SB0201 [0,0,1,1,0,0|2,0,0]=4 544 B17R1.1484 CCCCOCCCNC(=O)CC1CCCC1 WXVL_AK2310SB0044 [0,0,1,1,0,0|2,0,0]=4 545 B17R1.1484 CCCCOCCCNC(=O)CC1CCCC1 WXVL_AK2310SB0044 [0,0,1,1,0,0|2,0,0]=4 546 B17R1.5113 CCCCC1CCCN1C(=O)CCCCCBr WXVL_AN00739SB2192 [0,0,1,1,0,0|2,0,0]=4 547 B17R1.5113 CCCCC1CCCN1C(=O)CCCCCO WXVL_AN00739SB2973 [0,0,1,1,0,0|2,0,0]=4 548 B17R1.7823 O=C(CCCCCBr)NCCC1CCCCC1 WXVL_AK1287SB2192 [0,0,1,1,0,0|2,0,0]=4 549 B17R1.7823 O=C(CCCCCBr)NCCC1CCCCC1 WXVL_AK1287SB2192 [0,0,1,1,0,0|2,0,0]=4 550 B17R1.7823 O=C(CCCCCO)NCCC1CCCCC1 WXVL_AK1287SB2973 [0,0,1,1,0,0|2,0,0]=4 551 B17R1.7823 O=C(CCCCCO)NCCC1CCCCC1 WXVL_AK1287SB2973 [0,0,1,1,0,0|2,0,0]=4 552 B17R1.18502 CCCCCCCCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0447 [0,0,1,1,0,0|1,0,0]=3 553 B17R1.18502 CCCCCCCCNC(=O)C1CCCC1C WXVL_AK1818SB0904 [0,0,1,1,0,0|1,0,0]=3 554 B17R1.18502 CCCCCCCCNC(=O)C1CCCC1C WXVL_AK1818SB0904 [0,0,1,1,0,0|1,0,0]=3 555 B17R1.18502 CCCCCCCCNC(=O)N1CCC[C@H]1C WXVL_AN00593YV0182 [0,0,1,1,0,0|2,0,0]=4 556 B17R1.18502 CCCCCCCCNC(=O)[C@@H]1CCCN1C WXVL_AK1818SB1197 [0,0,1,1,0,0|2,0,0]=4 557 B17R1.18502 CCCCCCCCNC(=O)[C@@H]1CCCN1C WXVL_AK1818SB1197 [0,0,1,1,0,0|2,0,0]=4 558 B17R1.18502 CCCCOCCCNC(=O)C1CCCC1C WXVL_AK2310SB0904 [0,0,1,1,0,0|2,0,0]=4 559 B17R1.18502 CCCCOCCCNC(=O)C1CCCC1C WXVL_AK2310SB0904 [0,0,1,1,0,0|2,0,0]=4 560 B17R1.18503 CCCCCCCCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0447 [0,0,1,1,0,0|2,0,0]=4 561 B17R1.18503 CCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0447 [0,0,1,1,0,0|2,0,0]=4 562 B17R1.18503 CCCCCCCCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0447 [0,0,1,1,0,0|2,0,0]=4 563 B17R1.29613 CCCCCCCCCC(=O)NCC1CCC1 WXVL_AK00492SB0447 [0,0,1,1,0,0|1,0,0]=3 564 B17R1.29613 CCCCCCCCCC(=O)NCC1CCC1 WXVL_AK00492SB0447 [0,0,1,1,0,0|1,0,0]=3 565 B17R1.29613 CCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB0447 [0,0,1,1,0,0|2,0,0]=4 566 B17R1.29613 CCCCCCCCCC(=O)NCC1CCO1 WXVL_AK1433SB0447 [0,0,1,1,0,0|2,0,0]=4 567 B17R1.29613 CCCCCCCCCC(=O)NCC1COC1 WXVL_AK0186SB0447 [0,0,1,1,0,0|2,0,0]=4 568 B17R1.29613 CCCCCCCCCC(=O)NCC1COC1 WXVL_AK0186SB0447 [0,0,1,1,0,0|2,0,0]=4 569 B17R1.29613 CCCCCCCCNC(=O)CCC1CCC1 WXVL_AK1818SB8784 [0,0,1,1,0,0|1,0,0]=3 570 B17R1.29613 CCCCCCCCNC(=O)CCC1CCC1 WXVL_AK1818SB8784 [0,0,1,1,0,0|1,0,0]=3 571 B17R1.29613 CCCCCCCCNC(=O)NCC1CCC1 WXVL_AK00492YV0182 [0,0,1,1,0,0|2,0,0]=4 572 B17R1.29613 CCCCCCCCNC(=O)NCC1CCC1 WXVL_AK00492YV0182 [0,0,1,1,0,0|2,0,0]=4 573 B17R1.29613 CCCCOCCCNC(=O)CCC1CCC1 WXVL_AK2310SB8784 [0,0,1,1,0,0|2,0,0]=4 574 B17R1.29613 CCCCOCCCNC(=O)CCC1CCC1 WXVL_AK2310SB8784 [0,0,1,1,0,0|2,0,0]=4 575 B17R1.29614 CCCCCCCCCC(=O)NCCC1CC1 WXVL_AK00594SB0447 [0,0,1,1,0,0|1,0,0]=3 576 B17R1.29614 CCCCCCCCCC(=O)NCCC1CC1 WXVL_AK00594SB0447 [0,0,1,1,0,0|1,0,0]=3 577 B17R1.29614 CCCCCCCCNC(=O)NCCC1CC1 WXVL_AK00594YV0182 [0,0,1,1,0,0|2,0,0]=4 578 B17R1.29614 CCCCCCCCNC(=O)NCCC1CC1 WXVL_AK00594YV0182 [0,0,1,1,0,0|2,0,0]=4