0 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|2,0,1]=4 1 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [0,1,0,0,0,0|2,0,1]=4 2 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|2,0,0]=3 3 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,1,0,0,0,0|0,0,2]=4 47 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,1,0,0,0,0|0,0,2]=4 48 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|0,0,2]=4 49 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,1,0,0,0,0|0,0,2]=4 50 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|0,0,0]=2 53 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,1,0,0,0,0|0,0,0]=2 54 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|2,0,0]=4 67 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [0,2,0,0,0,0|2,0,0]=4 68 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,2,0,0,0,0|1,0,1]=4 70 B9R0.5 C=CCCNC(=O)/C=C/C WXVL_AK00138SB0340 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.5 C=CCCNC(=O)/C=C/C WXVL_AK00138SB0340 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.8 C=CCNC(=O)C(=O)CC WXVL_AK00561SB0344 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.8 C=CCNC(=O)C(=O)CC WXVL_AK00561SB0344 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.35 CCNC(=O)[C@H](C)NC=O WXVL_AK00476SB5176 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.35 CCNC(=O)[C@H](C)NC=O WXVL_AK00476SB5176 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.48 C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0340 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.48 C/C=C/C(=O)NCC(=O)N WXVL_AK0147SB0340 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 89 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.48 CCNC(=O)CNC(=O)N WXVL_AK00476SB0746 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.48 CCNC(=O)CNC(=O)N WXVL_AK00476SB0746 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,2,0,0,0,0|2,0,0]=4 100 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|2,0,0]=4 101 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|0,0,2]=4 103 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,2,0,0,0,0|0,0,2]=4 110 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,2,0,0,0,0|1,0,0]=3 112 B9R0.1 NC(=O)CCNC(=O)CO WXVL_AK00443SB2706 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.1 NC(=O)CCNC(=O)CO WXVL_AK00443SB2706 [0,2,0,0,0,0|2,0,0]=4 114 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [0,2,0,0,0,0|2,0,0]=4 120 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,2,0,0,0,0|0,0,2]=4 121 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,2,0,0,0,0|0,0,2]=4 122 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [0,1,0,1,0,0|0,0,0]=2 123 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [0,1,0,1,0,0|0,0,0]=2 124 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,1,0,1,0,0|0,0,2]=4 125 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,1,0,1,0,0|0,0,2]=4 126 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,1,0,1,0,0|0,0,2]=4 131 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,1,0,1,0,0|0,0,2]=4 133 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,1,0,1,0,0|0,0,2]=4 134 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,1,0,1,0,0|0,0,2]=4