0 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|2,0,1]=4 1 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|2,0,1]=4 2 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|2,0,0]=3 3 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [0,1,0,0,0,0|2,0,0]=3 4 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.3 CCC(=O)NCC#N WXVL_AK0683SB0064 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,0,0,0,0|0,0,2]=3 13 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [0,1,0,0,0,0|0,0,2]=3 14 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|0,0,0]=1 15 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|0,0,0]=1 16 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.7 C#CCC(=O)NCC WXVL_AK00476SB3070 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.7 CCNC(=O)CC#N WXVL_AK00476SB0057 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.1 C/C=C/C(=O)NC WXVL_AK00442SB0340 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.1 C=CCC(=O)NC WXVL_AK00442SB2732 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,1,0,0,0,0|0,0,2]=4 47 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,1,0,0,0,0|0,0,2]=4 48 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 C=CCNC(=O)C WXVL_AK00561SB0150 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.4 NC(=O)/C=C/CBr WXVL_AK0084SB0424 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|1,0,1]=4 63 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|1,0,1]=4 64 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,2,0,0,0,0|0,0,2]=4 77 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,2,0,0,0,0|0,0,2]=4 78 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|0,0,0]=2 81 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [0,2,0,0,0,0|0,0,0]=2 82 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|0,0,2]=4 85 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|0,0,2]=4 86 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,2,0,0,0,0|1,0,1]=4 87 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,2,0,0,0,0|1,0,1]=4 88 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,2,0,0,0,0|1,0,1]=4 89 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|0,0,2]=4 91 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|0,0,2]=4 92 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|0,0,2]=4 93 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|0,0,2]=4 94 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.8 C=CCNC(=O)C(C)C WXVL_AK00561SB0052 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.8 C=CCNC(=O)C(C)S WXVL_AK00561SB2708 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.8 C=CCNC(=O)[C@@H](C)O WXVL_AK00561SB1085 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|0,0,2]=4 101 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|0,0,2]=4 102 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.9 C=C(C)CNC(=O)CC WXVL_AK0761SB0064 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.9 CCC(=O)NCC(=O)N WXVL_AK0147SB0064 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,1]=4 107 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,1]=4 108 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|1,0,1]=4 111 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|1,0,1]=4 112 B8R0.9 NC(=O)CNC(=O)CO WXVL_AK0147SB2706 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.9 NC(=O)CNC(=O)CO WXVL_AK0147SB2706 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|2,0,0]=4 117 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.5 CCOC(=O)CC(=O)N WXVL_AK0084SB3094 [0,2,0,0,0,0|1,0,0]=3 120 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,2,0,0,0,0|0,0,2]=4 121 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,2,0,0,0,0|0,0,2]=4 122 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|0,0,2]=4 123 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|0,0,2]=4 124 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|0,0,2]=4 126 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|0,0,2]=4 133 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|0,0,2]=4 134 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.35 NC(=O)C=CC1CC1 WXVL_AK0084SB4216 [0,1,0,1,0,0|0,0,2]=4 136 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|0,0,2]=4 137 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|0,0,2]=4