0 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,0,0,0,0,0|2,0,0]=3 42 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,1,0,0,0,0|2,0,0]=3 43 B9R0.1 CC(=O)NCCC(C)CO WXVL_AK4143SB0150 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.1 CNC(=O)CCNC(=O)C WXVL_AK00442SB0374 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [0,1,0,0,0,0|0,0,2]=3 49 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.2 C#CCOCCNC(=O)C WXVL_AK00687SB0150 [0,1,0,0,0,0|1,0,2]=4 51 B9R0.2 C#CCOCCNC(=O)C WXVL_AK00687SB0150 [0,1,0,0,0,0|1,0,2]=4 52 B9R0.2 C=COCCCNC(=O)C WXVL_AK7221SB0150 [0,1,0,0,0,0|1,0,2]=4 53 B9R0.2 C=COCCCNC(=O)C WXVL_AK7221SB0150 [0,1,0,0,0,0|1,0,2]=4 54 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,1,0,0,0,0|1,0,1]=3 59 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [0,1,0,0,0,0|1,0,1]=3 60 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,1,0,0,0,0|0,0,0]=1 63 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [0,1,0,0,0,0|0,0,0]=1 64 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,1,0,0,0,0|1,0,1]=3 69 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.46 C#CC(=O)NCCCCO WXVL_AK0075SB0338 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.46 C#CC(=O)NCCCOC WXVL_AK00637SB0338 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.46 C#CC(=O)NCCCSC WXVL_AK0965SB0338 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,1,0,0,0,0|2,0,1]=4 77 B9R0.46 C#CC(=O)NCCSCC WXVL_AK00494SB0338 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,1,0,0,0,0|1,0,2]=4 79 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [0,1,0,0,0,0|1,0,2]=4 80 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,1,0,0,0,0|1,0,2]=4 81 B9R0.46 C#CCCCNC(=O)CO WXVL_AK00218SB2706 [0,1,0,0,0,0|1,0,2]=4 82 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.46 C#CCOCCC(=O)NC WXVL_AK00442SBD927 [0,1,0,0,0,0|1,0,2]=4 84 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|2,0,0]=3 85 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [0,1,0,0,0,0|2,0,0]=3 86 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,1,0,0,0,0|2,0,0]=3 87 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [0,1,0,0,0,0|2,0,0]=3 88 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [0,1,0,0,0,0|1,0,0]=2 92 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,1,0,0,0,0|2,0,0]=3 95 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,1,0,0,0,0|2,0,0]=3 97 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [0,1,0,0,0,0|2,0,0]=3 104 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,1,0,0,0,0|2,0,0]=3 105 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [0,1,0,0,0,0|2,0,0]=3 110 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,1,0,0,0,0|1,0,1]=3 116 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.47 CCCCNC(=O)C(=O)N WXVL_AK00588SB0128 [0,1,0,0,0,0|2,0,1]=4 118 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,1,0,0,0,0|2,0,1]=4 121 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,1,0,0,0,0|2,0,1]=4 123 B9R0.48 CCCC(=O)NCC(=O)N WXVL_AK0147SB0073 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.48 CCNC(=O)CNC(=O)C WXVL_AK00476SB0357 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.48 CCNC(=O)COC(=O)C WXVL_AK00476SB2824 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.48 CCNC(=O)CSC(=O)C WXVL_AK00476SB3992 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.55 CC(=O)NCCNC(=O)C WXVL_AK0057SB0150 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.55 CC(=O)NCCNC(=O)C WXVL_AK0057SB0150 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [0,1,0,0,0,0|2,0,0]=3 137 B9R0.55 CC(=O)NCCOC(C)C WXVL_AK0128SB0150 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.6 CC(=O)N1CCOCC1 WXVL_AN00478SB0150 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.6 CC(=O)N1CCSCC1 WXVL_AN0896SB0150 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.6 NC(=O)C1CC=CCC1 WXVL_AK0084SB3640 [0,0,0,1,0,0|1,0,2]=4 143 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,0,0,1,0,0|1,0,0]=2 145 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,0,0,1,0,0|2,0,0]=3 147 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,0,0,1,0,0|2,0,0]=3 150 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,0,0,1,0,0|1,0,0]=2 154 B9R1.13 NC(=O)CC1CCCC1 WXVL_AK0084SB0044 [0,0,0,1,0,0|1,0,0]=2 155 B9R1.13 NC(=O)CN1CCCC1 WXVL_AK0084SB0201 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.13 NC(=O)CN1CCCC1 WXVL_AK0084SB0201 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.41 CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0150 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,0,0,1,0,0|1,0,0]=2 159 B9R1.41 CC1CCCC1C(=O)N WXVL_AK0084SB0904 [0,0,0,1,0,0|1,0,0]=2 160 B9R1.41 CN1CCC[C@H]1C(=O)N WXVL_AK0084SB1197 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.41 CN1CCC[C@H]1C(=O)N WXVL_AK0084SB1197 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [0,0,0,1,0,0|1,0,0]=2 163 B9R1.84 CC(=O)NCC1CCC1 WXVL_AK00492SB0150 [0,0,0,1,0,0|1,0,0]=2 164 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.84 CC(=O)NCC1CCO1 WXVL_AK1433SB0150 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.84 CC(=O)NCC1COC1 WXVL_AK0186SB0150 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.84 CC(=O)NCC1COC1 WXVL_AK0186SB0150 [0,0,0,1,0,0|2,0,0]=3 168 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,0,0,1,0,0|1,0,0]=2 169 B9R1.84 NC(=O)CCC1CCC1 WXVL_AK0084SB8784 [0,0,0,1,0,0|1,0,0]=2 170 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [0,0,0,1,0,0|1,0,0]=2 171 B9R1.85 CC(=O)NCCC1CC1 WXVL_AK00594SB0150 [0,0,0,1,0,0|1,0,0]=2 172 B9R1.96 CC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0150 [0,0,0,1,0,0|2,0,0]=3 173 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.96 CC(=O)N1CC[C@H]1CO WXVL_AN3414SB0150 [0,0,0,1,0,0|2,0,0]=3 175 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|2,0,0]=4 187 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [1,1,0,0,0,0|2,0,0]=4 193 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [1,1,0,0,0,0|1,0,0]=3 196 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [1,1,0,0,0,0|1,0,1]=4 199 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [1,1,0,0,0,0|1,0,0]=3 210 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [1,1,0,0,0,0|1,0,0]=3 215 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [1,1,0,0,0,0|2,0,0]=4 217 B10R0.3 CC(=O)NCCN(C)CCN WXVL_AK4182SB0150 [0,2,0,0,0,0|2,0,0]=4 218 B10R0.3 CC(=O)NCCN(C)CCN WXVL_AK4182SB0150 [0,2,0,0,0,0|2,0,0]=4 219 B10R0.3 CCCC(=O)NCCC(=O)N WXVL_AK00443SB0073 [0,2,0,0,0,0|1,0,1]=4 220 B10R0.3 CCCC(=O)NCCC(=O)N WXVL_AK00443SB0073 [0,2,0,0,0,0|1,0,1]=4 221 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,2,0,0,0,0|1,0,1]=4 222 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,2,0,0,0,0|1,0,1]=4 223 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,2,0,0,0,0|1,0,1]=4 224 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,2,0,0,0,0|1,0,1]=4 225 B10R0.59 CC(CO)CCNC(=O)CO WXVL_AK4143SB2706 [0,2,0,0,0,0|2,0,0]=4 226 B10R0.59 CC(CO)CCNC(=O)CO WXVL_AK4143SB2706 [0,2,0,0,0,0|2,0,0]=4 227 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [0,2,0,0,0,0|2,0,0]=4 228 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [0,2,0,0,0,0|2,0,0]=4 229 B10R0.98 CC(=O)C(=O)NCCC(C)C WXVL_AK0068SB0051 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.98 CC(=O)C(=O)NCCC(C)C WXVL_AK0068SB0051 [0,2,0,0,0,0|1,0,1]=4 231 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,2,0,0,0,0|0,0,0]=2 232 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [0,2,0,0,0,0|0,0,0]=2 233 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,2,0,0,0,0|1,0,0]=3 234 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [0,2,0,0,0,0|1,0,0]=3 235 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,2,0,0,0,0|0,0,0]=2 236 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [0,2,0,0,0,0|0,0,0]=2 237 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,2,0,0,0,0|1,0,0]=3 238 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [0,2,0,0,0,0|1,0,0]=3 239 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,2,0,0,0,0|1,0,0]=3 240 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [0,2,0,0,0,0|1,0,0]=3 241 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,2,0,0,0,0|1,0,0]=3 242 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [0,2,0,0,0,0|1,0,0]=3 243 B10R0.55 CC(C)OCCNC(=O)CO WXVL_AK0128SB2706 [0,2,0,0,0,0|2,0,0]=4 244 B10R0.55 CC(C)OCCNC(=O)CO WXVL_AK0128SB2706 [0,2,0,0,0,0|2,0,0]=4 245 B10R0.55 CCC(=O)NCCNC(=O)C WXVL_AK0057SB0064 [0,2,0,0,0,0|1,0,1]=4 246 B10R0.55 CCC(=O)NCCNC(=O)C WXVL_AK0057SB0064 [0,2,0,0,0,0|1,0,1]=4 247 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [0,2,0,0,0,0|2,0,0]=4 248 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [0,2,0,0,0,0|2,0,0]=4 249 B10R0.55 COC(=O)CCCCC(=O)N WXVL_AK0084SB1209 [0,2,0,0,0,0|1,0,1]=4 250 B10R0.55 COC(=O)CCCCC(=O)N WXVL_AK0084SB1209 [0,2,0,0,0,0|1,0,1]=4 251 B10R0.55 COC(=O)CCCNC(=O)C WXVL_AK00444SB0150 [0,2,0,0,0,0|1,0,1]=4 252 B10R0.55 COC(=O)CCCNC(=O)C WXVL_AK00444SB0150 [0,2,0,0,0,0|1,0,1]=4 253 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,2,0,0,0,0|0,0,1]=3 254 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,2,0,0,0,0|0,0,1]=3 255 B10R0.74 C#CC(=O)NCCCCCO WXVL_AK0077SB0338 [0,2,0,0,0,0|1,0,1]=4 256 B10R0.74 C#CC(=O)NCCCCCO WXVL_AK0077SB0338 [0,2,0,0,0,0|1,0,1]=4 257 B10R0.74 C#CC(=O)NCCCOCC WXVL_AK0072SB0338 [0,2,0,0,0,0|1,0,1]=4 258 B10R0.74 C#CC(=O)NCCCOCC WXVL_AK0072SB0338 [0,2,0,0,0,0|1,0,1]=4 259 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [0,2,0,0,0,0|0,0,2]=4 260 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [0,2,0,0,0,0|0,0,2]=4 261 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,2,0,0,0,0|0,0,2]=4 262 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,2,0,0,0,0|0,0,2]=4 263 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,2,0,0,0,0|1,0,0]=3 264 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,2,0,0,0,0|1,0,0]=3 265 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,2,0,0,0,0|2,0,0]=4 266 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,2,0,0,0,0|2,0,0]=4 267 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,2,0,0,0,0|0,0,1]=3 268 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,2,0,0,0,0|0,0,1]=3 269 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,2,0,0,0,0|0,0,0]=2 270 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,2,0,0,0,0|0,0,0]=2 271 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,2,0,0,0,0|0,0,0]=2 272 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,2,0,0,0,0|0,0,0]=2 273 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,2,0,0,0,0|0,0,0]=2 274 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,2,0,0,0,0|0,0,0]=2 275 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,2,0,0,0,0|1,0,0]=3 276 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,2,0,0,0,0|1,0,0]=3 277 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,2,0,0,0,0|1,0,0]=3 278 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,2,0,0,0,0|1,0,0]=3 279 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,2,0,0,0,0|0,0,0]=2 280 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,2,0,0,0,0|0,0,0]=2 281 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,2,0,0,0,0|1,0,0]=3 282 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,2,0,0,0,0|1,0,0]=3 283 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,2,0,0,0,0|2,0,0]=4 284 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,2,0,0,0,0|2,0,0]=4 285 B10R0.75 C=C(F)C(=O)NCCCCC WXVL_AK0076SB1376 [0,2,0,0,0,0|1,0,1]=4 286 B10R0.75 C=C(F)C(=O)NCCCCC WXVL_AK0076SB1376 [0,2,0,0,0,0|1,0,1]=4 287 B10R0.75 C=CCCCCN(C)C(=O)C WXVL_AN4222SB0150 [0,2,0,0,0,0|0,0,2]=4 288 B10R0.75 C=CCCCCN(C)C(=O)C WXVL_AN4222SB0150 [0,2,0,0,0,0|0,0,2]=4 289 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [0,2,0,0,0,0|1,0,1]=4 290 B10R0.75 CC(=O)C(=O)NCCCCO WXVL_AK0075SB0051 [0,2,0,0,0,0|1,0,1]=4 291 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [0,2,0,0,0,0|2,0,0]=4 292 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [0,2,0,0,0,0|2,0,0]=4 293 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [0,2,0,0,0,0|2,0,0]=4 294 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [0,2,0,0,0,0|2,0,0]=4 295 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [0,2,0,0,0,0|0,0,1]=3 296 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [0,2,0,0,0,0|0,0,1]=3 297 B10R0.75 CCCCCNC(=O)C(=O)N WXVL_AK0076SB0128 [0,2,0,0,0,0|1,0,1]=4 298 B10R0.75 CCCCCNC(=O)C(=O)N WXVL_AK0076SB0128 [0,2,0,0,0,0|1,0,1]=4 299 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [0,2,0,0,0,0|1,0,0]=3 300 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [0,2,0,0,0,0|1,0,0]=3 301 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [0,2,0,0,0,0|1,0,0]=3 302 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [0,2,0,0,0,0|1,0,0]=3 304 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [0,2,0,0,0,0|1,0,0]=3 305 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [0,2,0,0,0,0|1,0,0]=3 306 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [0,2,0,0,0,0|1,0,0]=3 307 B10R0.75 CCSCCNC(=O)C(=O)C WXVL_AK00494SB0051 [0,2,0,0,0,0|1,0,1]=4 308 B10R0.75 CCSCCNC(=O)C(=O)C WXVL_AK00494SB0051 [0,2,0,0,0,0|1,0,1]=4 309 B10R0.75 CCSCCNC(=O)C(C)C WXVL_AK00494SB0052 [0,2,0,0,0,0|2,0,0]=4 310 B10R0.75 CCSCCNC(=O)C(C)C WXVL_AK00494SB0052 [0,2,0,0,0,0|2,0,0]=4 311 B10R0.75 CCSCCNC(=O)C(C)S WXVL_AK00494SB2708 [0,2,0,0,0,0|2,0,0]=4 312 B10R0.75 CCSCCNC(=O)C(C)S WXVL_AK00494SB2708 [0,2,0,0,0,0|2,0,0]=4 313 B10R0.75 CCSCCNC(=O)C(F)F WXVL_AK00494SB0079 [0,2,0,0,0,0|2,0,0]=4 314 B10R0.75 CCSCCNC(=O)C(F)F WXVL_AK00494SB0079 [0,2,0,0,0,0|2,0,0]=4 315 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [0,2,0,0,0,0|2,0,0]=4 316 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [0,2,0,0,0,0|2,0,0]=4 317 B10R0.75 CN(C)C(=O)CCCCCBr WXVL_AN0032SB2192 [0,2,0,0,0,0|1,0,0]=3 318 B10R0.75 CN(C)C(=O)CCCCCBr WXVL_AN0032SB2192 [0,2,0,0,0,0|1,0,0]=3 319 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [0,2,0,0,0,0|1,0,0]=3 320 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [0,2,0,0,0,0|1,0,0]=3 321 B10R0.75 COCCCNC(=O)C(=O)C WXVL_AK00637SB0051 [0,2,0,0,0,0|1,0,1]=4 322 B10R0.75 COCCCNC(=O)C(=O)C WXVL_AK00637SB0051 [0,2,0,0,0,0|1,0,1]=4 323 B10R0.75 COCCCNC(=O)C(C)C WXVL_AK00637SB0052 [0,2,0,0,0,0|2,0,0]=4 324 B10R0.75 COCCCNC(=O)C(C)C WXVL_AK00637SB0052 [0,2,0,0,0,0|2,0,0]=4 325 B10R0.75 COCCCNC(=O)C(C)S WXVL_AK00637SB2708 [0,2,0,0,0,0|2,0,0]=4 326 B10R0.75 COCCCNC(=O)C(C)S WXVL_AK00637SB2708 [0,2,0,0,0,0|2,0,0]=4 327 B10R0.75 COCCCNC(=O)C(F)F WXVL_AK00637SB0079 [0,2,0,0,0,0|2,0,0]=4 328 B10R0.75 COCCCNC(=O)C(F)F WXVL_AK00637SB0079 [0,2,0,0,0,0|2,0,0]=4 329 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [0,2,0,0,0,0|2,0,0]=4 330 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [0,2,0,0,0,0|2,0,0]=4 331 B10R0.75 COCCOCC(=O)N(C)C WXVL_AN0032SB0159 [0,2,0,0,0,0|2,0,0]=4 332 B10R0.75 COCCOCC(=O)N(C)C WXVL_AN0032SB0159 [0,2,0,0,0,0|2,0,0]=4 333 B10R0.75 CSCCCNC(=O)C(=O)C WXVL_AK0965SB0051 [0,2,0,0,0,0|1,0,1]=4 334 B10R0.75 CSCCCNC(=O)C(=O)C WXVL_AK0965SB0051 [0,2,0,0,0,0|1,0,1]=4 335 B10R0.75 CSCCCNC(=O)C(C)C WXVL_AK0965SB0052 [0,2,0,0,0,0|2,0,0]=4 336 B10R0.75 CSCCCNC(=O)C(C)C WXVL_AK0965SB0052 [0,2,0,0,0,0|2,0,0]=4 337 B10R0.75 CSCCCNC(=O)C(C)S WXVL_AK0965SB2708 [0,2,0,0,0,0|2,0,0]=4 338 B10R0.75 CSCCCNC(=O)C(C)S WXVL_AK0965SB2708 [0,2,0,0,0,0|2,0,0]=4 339 B10R0.75 CSCCCNC(=O)C(F)F WXVL_AK0965SB0079 [0,2,0,0,0,0|2,0,0]=4 340 B10R0.75 CSCCCNC(=O)C(F)F WXVL_AK0965SB0079 [0,2,0,0,0,0|2,0,0]=4 341 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [0,2,0,0,0,0|2,0,0]=4 343 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [0,2,0,0,0,0|2,0,0]=4 344 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [0,2,0,0,0,0|2,0,0]=4 345 B10R0.75 O=C(NCCCCO)C(F)F WXVL_AK0075SB0079 [0,2,0,0,0,0|2,0,0]=4 346 B10R0.75 O=C(NCCCCO)C(F)F WXVL_AK0075SB0079 [0,2,0,0,0,0|2,0,0]=4 347 B10R0.78 CC(=O)CCC(=O)NCCF WXVL_AK00466SB0072 [0,2,0,0,0,0|1,0,1]=4 348 B10R0.78 CC(=O)CCC(=O)NCCF WXVL_AK00466SB0072 [0,2,0,0,0,0|1,0,1]=4 349 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [0,2,0,0,0,0|1,0,0]=3 350 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [0,2,0,0,0,0|1,0,0]=3 351 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [0,2,0,0,0,0|0,0,1]=3 352 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [0,2,0,0,0,0|0,0,1]=3 353 B10R0.78 CCCNC(=O)CCC(=O)N WXVL_AK00504SB0358 [0,2,0,0,0,0|1,0,1]=4 354 B10R0.78 CCCNC(=O)CCC(=O)N WXVL_AK00504SB0358 [0,2,0,0,0,0|1,0,1]=4 355 B10R0.78 CCCNC(=O)CNC(=O)C WXVL_AK00504SB0357 [0,2,0,0,0,0|1,0,1]=4 356 B10R0.78 CCCNC(=O)CNC(=O)C WXVL_AK00504SB0357 [0,2,0,0,0,0|1,0,1]=4 357 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [0,2,0,0,0,0|1,0,1]=4 358 B10R0.78 CCCNC(=O)COC(=O)C WXVL_AK00504SB2824 [0,2,0,0,0,0|1,0,1]=4 359 B10R0.78 CCCNC(=O)CSC(=O)C WXVL_AK00504SB3992 [0,2,0,0,0,0|1,0,1]=4 360 B10R0.78 CCCNC(=O)CSC(=O)C WXVL_AK00504SB3992 [0,2,0,0,0,0|1,0,1]=4 361 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [0,2,0,0,0,0|1,0,1]=4 364 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.87 CCCC[C@H](CO)NC(=O)C WXVL_AK00635SB0150 [0,2,0,0,0,0|1,0,0]=3 366 B10R0.87 CCCC[C@H](CO)NC(=O)C WXVL_AK00635SB0150 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.87 CSCC[C@@H](CO)NC(=O)C WXVL_AK1021SB0150 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.87 CSCC[C@@H](CO)NC(=O)C WXVL_AK1021SB0150 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.96 CC(=O)CCC(=O)NC(C)C WXVL_AK0030SB0072 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.96 CC(=O)CCC(=O)NC(C)C WXVL_AK0030SB0072 [0,2,0,0,0,0|1,0,1]=4 371 B10R0.15 CC(=O)NCCCC(F)(F)F WXVL_AK00702SB0150 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.15 CC(=O)NCCCC(F)(F)F WXVL_AK00702SB0150 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.15 CC(=O)NCCCS(=O)(=O)C WXVL_AK00620SB0150 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.15 CC(=O)NCCCS(=O)(=O)C WXVL_AK00620SB0150 [0,2,0,0,0,0|2,0,0]=4 375 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [0,2,0,0,0,0|2,0,0]=4 377 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.1 C#CCC(=O)NCCCCO WXVL_AK0075SB3070 [0,2,0,0,0,0|2,0,0]=4 380 B10R0.1 C#CCC(=O)NCCCCO WXVL_AK0075SB3070 [0,2,0,0,0,0|2,0,0]=4 381 B10R0.1 C#CCC(=O)NCCCOC WXVL_AK00637SB3070 [0,2,0,0,0,0|2,0,0]=4 382 B10R0.1 C#CCC(=O)NCCCOC WXVL_AK00637SB3070 [0,2,0,0,0,0|2,0,0]=4 383 B10R0.1 C#CCC(=O)NCCCSC WXVL_AK0965SB3070 [0,2,0,0,0,0|2,0,0]=4 384 B10R0.1 C#CCC(=O)NCCCSC WXVL_AK0965SB3070 [0,2,0,0,0,0|2,0,0]=4 385 B10R0.1 C#CCC(=O)NCCSCC WXVL_AK00494SB3070 [0,2,0,0,0,0|2,0,0]=4 386 B10R0.1 C#CCC(=O)NCCSCC WXVL_AK00494SB3070 [0,2,0,0,0,0|2,0,0]=4 387 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,2,0,0,0,0|1,0,0]=3 388 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,2,0,0,0,0|1,0,0]=3 389 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,2,0,0,0,0|2,0,0]=4 390 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,2,0,0,0,0|2,0,0]=4 391 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,2,0,0,0,0|2,0,0]=4 392 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,2,0,0,0,0|2,0,0]=4 393 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,2,0,0,0,0|2,0,0]=4 394 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,2,0,0,0,0|2,0,0]=4 395 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,2,0,0,0,0|2,0,0]=4 396 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,2,0,0,0,0|2,0,0]=4 397 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,2,0,0,0,0|1,0,0]=3 398 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,2,0,0,0,0|1,0,0]=3 399 B10R0.1 C=CCC(=O)NCCCCO WXVL_AK0075SB2732 [0,2,0,0,0,0|2,0,0]=4 400 B10R0.1 C=CCC(=O)NCCCCO WXVL_AK0075SB2732 [0,2,0,0,0,0|2,0,0]=4 401 B10R0.1 C=CCC(=O)NCCCOC WXVL_AK00637SB2732 [0,2,0,0,0,0|2,0,0]=4 402 B10R0.1 C=CCC(=O)NCCCOC WXVL_AK00637SB2732 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.1 C=CCC(=O)NCCCSC WXVL_AK0965SB2732 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.1 C=CCC(=O)NCCCSC WXVL_AK0965SB2732 [0,2,0,0,0,0|2,0,0]=4 405 B10R0.1 C=CCC(=O)NCCSCC WXVL_AK00494SB2732 [0,2,0,0,0,0|2,0,0]=4 406 B10R0.1 C=CCC(=O)NCCSCC WXVL_AK00494SB2732 [0,2,0,0,0,0|2,0,0]=4 407 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,2,0,0,0,0|1,0,0]=3 408 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,2,0,0,0,0|1,0,0]=3 409 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,2,0,0,0,0|2,0,0]=4 410 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,2,0,0,0,0|2,0,0]=4 411 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,2,0,0,0,0|2,0,0]=4 412 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,2,0,0,0,0|2,0,0]=4 415 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,2,0,0,0,0|2,0,0]=4 416 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,2,0,0,0,0|2,0,0]=4 417 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,2,0,0,0,0|2,0,0]=4 418 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,2,0,0,0,0|2,0,0]=4 419 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,2,0,0,0,0|2,0,0]=4 420 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,2,0,0,0,0|2,0,0]=4 424 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,2,0,0,0,0|1,0,0]=3 426 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|1,0,0]=3 428 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,2,0,0,0,0|1,0,0]=3 429 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|1,0,0]=3 430 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,2,0,0,0,0|1,0,0]=3 431 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,2,0,0,0,0|1,0,0]=3 432 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,2,0,0,0,0|1,0,0]=3 433 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|1,0,0]=3 434 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,2,0,0,0,0|1,0,0]=3 435 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|1,0,0]=3 436 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,2,0,0,0,0|1,0,0]=3 437 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,2,0,0,0,0|2,0,0]=4 438 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,2,0,0,0,0|2,0,0]=4 439 B10R0.1 CCSCCNC(=O)CC#N WXVL_AK00494SB0057 [0,2,0,0,0,0|2,0,0]=4 440 B10R0.1 CCSCCNC(=O)CC#N WXVL_AK00494SB0057 [0,2,0,0,0,0|2,0,0]=4 441 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|2,0,0]=4 442 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,2,0,0,0,0|2,0,0]=4 443 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,2,0,0,0,0|2,0,0]=4 444 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,2,0,0,0,0|2,0,0]=4 445 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|2,0,0]=4 446 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,2,0,0,0,0|2,0,0]=4 447 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|2,0,0]=4 448 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,2,0,0,0,0|2,0,0]=4 449 B10R0.1 COCCCNC(=O)CC#N WXVL_AK00637SB0057 [0,2,0,0,0,0|2,0,0]=4 450 B10R0.1 COCCCNC(=O)CC#N WXVL_AK00637SB0057 [0,2,0,0,0,0|2,0,0]=4 451 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,2,0,0,0,0|2,0,0]=4 452 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,2,0,0,0,0|2,0,0]=4 453 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,2,0,0,0,0|2,0,0]=4 454 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,2,0,0,0,0|2,0,0]=4 455 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,2,0,0,0,0|2,0,0]=4 456 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,2,0,0,0,0|2,0,0]=4 457 B10R0.1 CSCCCNC(=O)CC#N WXVL_AK0965SB0057 [0,2,0,0,0,0|2,0,0]=4 458 B10R0.1 CSCCCNC(=O)CC#N WXVL_AK0965SB0057 [0,2,0,0,0,0|2,0,0]=4 459 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,2,0,0,0,0|2,0,0]=4 460 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,2,0,0,0,0|2,0,0]=4 461 B10R0.1 N#CCC(=O)NCCCCO WXVL_AK0075SB0057 [0,2,0,0,0,0|2,0,0]=4 462 B10R0.1 N#CCC(=O)NCCCCO WXVL_AK0075SB0057 [0,2,0,0,0,0|2,0,0]=4 463 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [0,2,0,0,0,0|0,0,0]=2 464 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [0,2,0,0,0,0|0,0,0]=2 465 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|1,0,1]=4 466 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,2,0,0,0,0|1,0,1]=4 467 B10R0.108 CCCC(=O)NCC(=O)NC WXVL_AK1222SB0073 [0,2,0,0,0,0|1,0,1]=4 468 B10R0.108 CCCC(=O)NCC(=O)NC WXVL_AK1222SB0073 [0,2,0,0,0,0|1,0,1]=4 469 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,2,0,0,0,0|1,0,1]=4 470 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,2,0,0,0,0|1,0,1]=4 471 B10R0.26 CCC[C@H](C)NC(=O)C(=O)C WXVL_AK00682SB0051 [0,2,0,0,0,0|1,0,1]=4 472 B10R0.26 CCC[C@H](C)NC(=O)C(=O)C WXVL_AK00682SB0051 [0,2,0,0,0,0|1,0,1]=4 473 B10R0.86 CCN(CCCCO)C(=O)C WXVL_AN3016SB0150 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [1,0,0,1,0,0|1,0,0]=3 477 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [1,0,0,1,0,0|1,0,0]=3 478 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|1,0,0]=3 489 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [1,0,0,1,0,0|1,0,0]=3 492 B10R1.13 C=C1CCC(CC1)C(=O)N WXVL_AK0084SB2180 [0,1,0,1,0,0|1,0,1]=4 493 B10R1.13 C=C1CCC(CC1)C(=O)N WXVL_AK0084SB2180 [0,1,0,1,0,0|1,0,1]=4 494 B10R1.13 C=C1CCN(CC1)C(=O)C WXVL_AN00121SB0150 [0,1,0,1,0,0|1,0,1]=4 495 B10R1.13 C=C1CCN(CC1)C(=O)C WXVL_AN00121SB0150 [0,1,0,1,0,0|1,0,1]=4 496 B10R1.13 CC(=O)N1CCC(CC1)Br WXVL_AN00579SB0150 [0,1,0,1,0,0|1,0,0]=3 497 B10R1.13 CC(=O)N1CCC(CC1)C WXVL_AN0025SB0150 [0,1,0,1,0,0|1,0,0]=3 498 B10R1.13 CC(=O)N1CCC(CC1)C WXVL_AN0025SB0150 [0,1,0,1,0,0|1,0,0]=3 499 B10R1.13 CC(=O)N1CCC(CC1)F WXVL_AN0279SB0150 [0,1,0,1,0,0|1,0,0]=3 500 B10R1.13 CC(=O)N1CCC(CC1)O WXVL_AN0023SB0150 [0,1,0,1,0,0|1,0,0]=3 501 B10R1.13 CC(=O)N1CCC(CC1)O WXVL_AN0023SB0150 [0,1,0,1,0,0|1,0,0]=3 502 B10R1.13 CC(=O)N1CCN(CC1)C WXVL_AN00865SB0150 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.13 CC(=O)N1CCS(=O)CC1 WXVL_AN00655SB0150 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.13 CN1CCC(CC1)C(=O)N WXVL_AK0084SB00008 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.13 CN1CCC(CC1)C(=O)N WXVL_AK0084SB00008 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.13 NC(=O)C1CCC(CC1)O WXVL_AK0084SB3089 [0,1,0,1,0,0|1,0,0]=3 507 B10R1.13 NC(=O)C1CCC(CC1)O WXVL_AK0084SB3089 [0,1,0,1,0,0|1,0,0]=3 508 B10R1.31 CC(=O)N1CCC(C1)CO WXVL_AN2273SB0150 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.31 CC(=O)N1CCC(C1)CO WXVL_AN2273SB0150 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.31 CC(=O)N1CC[C@@H](C1)CO WXVL_AN00661SB0150 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.31 COC1CCN(C1)C(=O)C WXVL_AN0570SB0150 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [0,1,0,1,0,0|0,0,0]=2 513 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [0,1,0,1,0,0|0,0,0]=2 514 B10R1.153 C#CC(=O)NCCC1CC1 WXVL_AK00594SB0338 [0,1,0,1,0,0|1,0,1]=4 515 B10R1.153 C#CC(=O)NCCC1CC1 WXVL_AK00594SB0338 [0,1,0,1,0,0|1,0,1]=4 516 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [0,1,0,1,0,0|1,0,0]=3 517 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [0,1,0,1,0,0|1,0,0]=3 518 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [0,1,0,1,0,0|1,0,0]=3 519 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [0,1,0,1,0,0|1,0,0]=3 520 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [0,1,0,1,0,0|0,0,0]=2 521 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [0,1,0,1,0,0|0,0,0]=2 522 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [0,1,0,1,0,0|1,0,0]=3 523 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [0,1,0,1,0,0|1,0,0]=3 524 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [0,1,0,1,0,0|1,0,0]=3 525 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [0,1,0,1,0,0|1,0,0]=3 526 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [0,1,0,1,0,0|1,0,0]=3 527 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [0,1,0,1,0,0|1,0,0]=3 528 B10R1.18 NC(=O)CC1COCCO1 WXVL_AK0084SB2988 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.18 NC(=O)CC1COCCO1 WXVL_AK0084SB2988 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [0,1,0,1,0,0|1,0,0]=3 531 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [0,1,0,1,0,0|1,0,0]=3 532 B10R1.18 NC(=O)CN1CCOCC1 WXVL_AK0084SB0188 [0,1,0,1,0,0|2,0,0]=4 533 B10R1.18 NC(=O)CN1CCOCC1 WXVL_AK0084SB0188 [0,1,0,1,0,0|2,0,0]=4 534 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [0,1,0,1,0,0|1,0,0]=3 535 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [0,1,0,1,0,0|0,0,0]=2 536 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [0,1,0,1,0,0|1,0,0]=3 537 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [0,1,0,1,0,0|1,0,0]=3 538 B10R1.61 CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0150 [0,1,0,1,0,0|1,0,0]=3 539 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [0,1,0,1,0,0|1,0,0]=3 540 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [0,1,0,1,0,0|1,0,0]=3 541 B10R1.64 CC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0150 [0,1,0,1,0,0|2,0,0]=4 542 B10R1.64 CC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0150 [0,1,0,1,0,0|2,0,0]=4 543 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [0,1,0,1,0,0|0,0,0]=2 544 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [0,1,0,1,0,0|0,0,0]=2 545 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [0,1,0,1,0,0|1,0,0]=3 546 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [0,1,0,1,0,0|1,0,0]=3 547 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,1,0,1,0,0|1,0,0]=3 548 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [0,1,0,1,0,0|1,0,0]=3 549 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [0,1,0,1,0,0|1,0,0]=3 550 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [0,1,0,1,0,0|1,0,0]=3 551 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [0,1,0,1,0,0|1,0,1]=4 552 B10R1.66 NC(=O)/C=C/C1CCCC1 WXVL_AK0084SB5314 [0,1,0,1,0,0|1,0,1]=4 553 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [0,1,0,1,0,0|1,0,0]=3 554 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [0,1,0,1,0,0|1,0,0]=3 555 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [0,1,0,1,0,0|1,0,0]=3 557 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [0,1,0,1,0,0|1,0,0]=3 558 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [0,1,0,1,0,0|1,0,0]=3 559 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [0,1,0,1,0,0|1,0,0]=3 560 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [0,1,0,1,0,0|1,0,0]=3 561 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [0,1,0,1,0,0|1,0,0]=3 562 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.192 CC(=O)N1[C@@H](CC[C@H]1C)C WXVL_AN00607SB0150 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.266 CC(=O)NC(C)C1CCC1 WXVL_AK00681SB0150 [0,1,0,1,0,0|1,0,0]=3 565 B10R1.266 CC(=O)NC(C)C1CCC1 WXVL_AK00681SB0150 [0,1,0,1,0,0|1,0,0]=3 566 B10R1.28 NS(=O)(=O)C1CCCCC1 WXVL_AK0084HU0143 [0,1,0,1,0,0|2,0,0]=4 567 B10R1.28 NS(=O)(=O)C1CCCCC1 WXVL_AK0084HU0143 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [0,1,0,1,0,0|2,0,0]=4 570 B10R1.15 CCC(=O)N1CCSCC1 WXVL_AN0896SB0064 [0,1,0,1,0,0|2,0,0]=4 571 B10R1.15 CNC(=O)C1CC=CCC1 WXVL_AK00442SB3640 [0,1,0,1,0,0|0,0,2]=4 572 B10R1.15 CNC(=O)C1CC=CCC1 WXVL_AK00442SB3640 [0,1,0,1,0,0|0,0,2]=4 573 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [0,1,0,1,0,0|0,0,0]=2 574 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [0,1,0,1,0,0|0,0,0]=2 575 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [0,1,0,1,0,0|1,0,0]=3 576 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [0,1,0,1,0,0|1,0,0]=3 577 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [0,1,0,1,0,0|1,0,0]=3 580 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [0,1,0,1,0,0|1,0,0]=3 581 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [0,1,0,1,0,0|1,0,0]=3 583 B10R1.15 O=C(CO)N1CCOCC1 WXVL_AN00478SB2706 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.15 O=C(CO)N1CCOCC1 WXVL_AN00478SB2706 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.15 O=C(CO)N1CCSCC1 WXVL_AN0896SB2706 [0,1,0,1,0,0|2,0,0]=4 586 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [0,1,0,1,0,0|0,0,0]=2 587 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [0,1,0,1,0,0|0,0,0]=2 588 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [0,1,0,1,0,0|1,0,0]=3 589 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.149 C#CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0338 [0,1,0,1,0,0|1,0,1]=4 591 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [0,1,0,1,0,0|0,0,0]=2 593 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [0,1,0,1,0,0|0,0,0]=2 594 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [0,1,0,1,0,0|1,0,0]=3 595 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [0,1,0,1,0,0|1,0,0]=3 596 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [0,1,0,1,0,0|1,0,0]=3 597 B10R1.151 C#CC(=O)NCC1CCC1 WXVL_AK00492SB0338 [0,1,0,1,0,0|1,0,1]=4 598 B10R1.151 C#CC(=O)NCC1CCC1 WXVL_AK00492SB0338 [0,1,0,1,0,0|1,0,1]=4 599 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [0,1,0,1,0,0|0,0,0]=2 606 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [0,1,0,1,0,0|0,0,0]=2 607 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [0,1,0,1,0,0|1,0,0]=3 608 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [0,1,0,1,0,0|1,0,0]=3 609 B10R1.151 O=C(CO)NCC1CCO1 WXVL_AK1433SB2706 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.151 O=C(CO)NCC1CCO1 WXVL_AK1433SB2706 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.151 O=C(CO)NCC1COC1 WXVL_AK0186SB2706 [0,1,0,1,0,0|2,0,0]=4 612 B10R1.151 O=C(CO)NCC1COC1 WXVL_AK0186SB2706 [0,1,0,1,0,0|2,0,0]=4 613 B10R1.175 CCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0064 [0,1,0,1,0,0|2,0,0]=4 614 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [0,1,0,1,0,0|2,0,0]=4 615 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [0,1,0,1,0,0|2,0,0]=4 616 B10R1.175 O=C(CO)N1CC[C@@H]1CO WXVL_AN00694SB2706 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.175 O=C(CO)N1CC[C@H]1CO WXVL_AN3414SB2706 [0,1,0,1,0,0|2,0,0]=4 618 B10R1.175 O=C(CO)N1CC[C@H]1CO WXVL_AN3414SB2706 [0,1,0,1,0,0|2,0,0]=4 619 B10R1.23 CC(=O)C(=O)N1CCCC1 WXVL_AN0008SB0051 [0,1,0,1,0,0|1,0,1]=4 620 B10R1.23 CC(=O)C(=O)N1CCCC1 WXVL_AN0008SB0051 [0,1,0,1,0,0|1,0,1]=4 621 B10R1.113 CC(=O)N1CCCC(C1)Br WXVL_AN00704SB0150 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.113 CC(=O)N1CCCC(C1)F WXVL_AN2271SB0150 [0,1,0,1,0,0|1,0,0]=3 623 B10R1.113 CC(=O)N1CCCC(C1)F WXVL_AN2271SB0150 [0,1,0,1,0,0|1,0,0]=3 624 B10R1.113 CC(=O)N1CCCC(C1)O WXVL_AN0622SB0150 [0,1,0,1,0,0|1,0,0]=3 625 B10R1.113 CC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB0150 [0,1,0,1,0,0|1,0,0]=3 626 B10R1.113 CC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0150 [0,1,0,1,0,0|1,0,0]=3 627 B10R1.113 CC(=O)N1CCOC(C1)C WXVL_AN0569SB0150 [0,1,0,1,0,0|2,0,0]=4 628 B10R1.113 CC(=O)N1CCOC(C1)O WXVL_AN00776SB0150 [0,1,0,1,0,0|2,0,0]=4 629 B10R1.113 CC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0150 [0,1,0,1,0,0|2,0,0]=4 630 B10R1.113 CC(=O)N1CCO[C@@H](C1)C WXVL_AN00210SB0150 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.113 CC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0150 [0,1,0,1,0,0|2,0,0]=4 632 B10R1.113 CC(=O)N1CCO[C@H](C1)C WXVL_AN00212SB0150 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.113 CC1CCCC(C1)C(=O)N WXVL_AK0084SB5392 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.113 CC1CCCC(C1)C(=O)N WXVL_AK0084SB5392 [0,1,0,1,0,0|1,0,0]=3 635 B10R1.113 CN1CCCC(C1)C(=O)N WXVL_AK0084SA00108 [0,1,0,1,0,0|2,0,0]=4 636 B10R1.113 CN1CCCC(C1)C(=O)N WXVL_AK0084SA00108 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.113 CN1CCCC(C1)C(=O)N WXVL_AK0084SB1435 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.113 CN1CCCC(C1)C(=O)N WXVL_AK0084SB1435 [0,1,0,1,0,0|2,0,0]=4 639 B10R1.363 CC1(CCCCC1)C(=O)N WXVL_AK0084SB2476 [0,1,0,1,0,0|1,0,0]=3 640 B10R1.363 CC1(CCCCC1)C(=O)N WXVL_AK0084SB2476 [0,1,0,1,0,0|1,0,0]=3 641 B10R1.363 CC1(CCOCC1)C(=O)N WXVL_AK0084SB2291 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.363 CC1(CCOCC1)C(=O)N WXVL_AK0084SB2291 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.363 NC(=O)C1(CCOCC1)F WXVL_AK0084SB0023 [0,1,0,1,0,0|2,0,0]=4 644 B10R1.363 NC(=O)C1(CCOCC1)F WXVL_AK0084SB0023 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.363 NC(=O)C1(CCOCC1)O WXVL_AK0084SBE859 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.363 NC(=O)C1(CCOCC1)O WXVL_AK0084SBE859 [0,1,0,1,0,0|2,0,0]=4 647 B10R1.59 CC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0150 [0,1,0,1,0,0|1,0,0]=3 648 B10R1.82 CC(=O)NCC1CN(C1)C WXVL_AK3201SB0150 [0,1,0,1,0,0|2,0,0]=4 649 B10R1.82 CC(=O)NCC1CN(C1)C WXVL_AK3201SB0150 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.353 CC(=O)NCC1(CCC1)C WXVL_AK00671SB0150 [0,1,0,1,0,0|1,0,0]=3 651 B10R1.353 CC(=O)NCC1(CCC1)C WXVL_AK00671SB0150 [0,1,0,1,0,0|1,0,0]=3 652 B10R1.353 CC(=O)NCC1(CCC1)F WXVL_AK4924SB0150 [0,1,0,1,0,0|1,0,0]=3 653 B10R1.353 CC(=O)NCC1(CCC1)F WXVL_AK4924SB0150 [0,1,0,1,0,0|1,0,0]=3 654 B10R1.353 CC(=O)NCC1(CCC1)O WXVL_AK2855SB0150 [0,1,0,1,0,0|1,0,0]=3 655 B10R1.353 CC(=O)NCC1(CCC1)O WXVL_AK2855SB0150 [0,1,0,1,0,0|1,0,0]=3 656 B10R1.353 CC(=O)NCC1(COC1)F WXVL_AK2103SB0150 [0,1,0,1,0,0|2,0,0]=4 657 B10R1.353 CC(=O)NCC1(COC1)F WXVL_AK2103SB0150 [0,1,0,1,0,0|2,0,0]=4 658 B10R1.353 CC(=O)NCC1(COC1)O WXVL_AK1349SB0150 [0,1,0,1,0,0|2,0,0]=4 659 B10R1.353 CC(=O)NCC1(COC1)O WXVL_AK1349SB0150 [0,1,0,1,0,0|2,0,0]=4 660 B10R1.128 CC(=O)N1CCCC1(C)C WXVL_AN0313SB0150 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.128 CC(=O)N1CCCC1(C)C WXVL_AN0313SB0150 [0,1,0,1,0,0|1,0,0]=3 662 B10R2.351 NC(=O)C1C2C1COC2 WXVL_AK0084SB0030 [0,0,0,2,0,0|2,0,0]=4 663 B10R2.351 NC(=O)C1C2C1COC2 WXVL_AK0084SB0030 [0,0,0,2,0,0|2,0,0]=4 664 B10R2.357 CC(=O)N1CC2CC2C1 WXVL_AN00158SB0150 [0,0,0,2,0,0|1,0,0]=3 665 B10R2.357 CC(=O)N1CC2CC2C1 WXVL_AN00158SB0150 [0,0,0,2,0,0|1,0,0]=3 666 B10R2.633 NC(=O)C1CC1C2CC2 WXVL_AK0084SB3548 [0,0,0,2,0,0|1,0,0]=3 667 B10R2.633 NC(=O)C1CC1C2CC2 WXVL_AK0084SB3548 [0,0,0,2,0,0|1,0,0]=3