0 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0286SB0126 [0,1,0,0,0,0|2,0,1]=4 1 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0286SB0126 [0,1,0,0,0,0|2,0,1]=4 2 B15R1.137 CCCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0286SBF634 [0,1,0,0,0,0|2,0,1]=4 3 B15R1.137 CCCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0286SBF634 [0,1,0,0,0,0|2,0,1]=4 4 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,0,1,0,0,0|1,0,0]=2 5 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,0,1,0,0,0|1,0,0]=2 6 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,0,1,0,0,0|2,0,0]=3 7 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,0,1,0,0,0|2,0,0]=3 8 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,0,1,0,0,0|1,0,2]=4 9 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,0,1,0,0,0|1,0,2]=4 10 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,0,1,0,0,0|2,0,0]=3 11 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,0,1,0,0,0|2,0,0]=3 12 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,0,1,0,0,0|2,0,0]=3 13 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,0,1,0,0,0|2,0,0]=3 14 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,0,1,0,0,0|1,0,0]=2 15 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,0,1,0,0,0|1,0,0]=2 16 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,0,1,0,0,0|2,0,0]=3 17 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,0,1,0,0,0|2,0,0]=3 18 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,0,1,0,0,0|3,0,0]=4 19 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,0,1,0,0,0|3,0,0]=4 20 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,0,1,0,0,0|2,0,0]=4 21 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,0,1,0,0,0|2,0,0]=4 22 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,0,1,0,0,0|1,0,0]=3 23 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,0,1,0,0,0|1,0,0]=3 24 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,0,1,0,0,0|1,0,0]=3 25 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,0,1,0,0,0|1,0,0]=3 26 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,1,0,0,0|1,0,0]=3 27 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [1,0,1,0,0,0|1,0,0]=3 28 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,1,0,0,0|1,0,0]=3 29 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [1,0,1,0,0,0|1,0,0]=3 30 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,0,1,0,0,0|2,0,0]=4 31 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [1,0,1,0,0,0|2,0,0]=4 32 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [1,0,1,0,0,0|2,0,0]=4 33 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [1,0,1,0,0,0|2,0,0]=4 34 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [1,0,1,0,0,0|2,0,0]=4 35 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [1,0,1,0,0,0|2,0,0]=4 36 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [0,1,1,0,0,0|2,0,0]=4 37 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [0,1,1,0,0,0|2,0,0]=4 38 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,1,1,0,0,0|1,0,0]=3 39 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,1,1,0,0,0|1,0,0]=3 40 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,1,1,0,0,0|2,0,0]=4 41 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,1,1,0,0,0|2,0,0]=4 42 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,1,1,0,0,0|1,0,0]=3 43 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,1,1,0,0,0|1,0,0]=3 44 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,1,1,0,0,0|2,0,0]=4 45 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,1,1,0,0,0|2,0,0]=4 46 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,1,1,0,0,0|1,0,0]=3 47 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,1,1,0,0,0|1,0,0]=3 48 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,1,1,0,0,0|1,0,0]=3 49 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,1,1,0,0,0|1,0,0]=3 50 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,1,1,0,0,0|2,0,0]=4 51 B14R0.181 CCCCCCCCNC(=O)C(=O)CC WXVL_AK1818SB0344 [0,1,1,0,0,0|2,0,0]=4 52 B14R0.393 C#CCC(=O)NCCCCCCCCC WXVL_AK1826SB3070 [0,1,1,0,0,0|1,0,1]=4 53 B14R0.393 C#CCC(=O)NCCCCCCCCC WXVL_AK1826SB3070 [0,1,1,0,0,0|1,0,1]=4 54 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,1,1,0,0,0|1,0,1]=4 55 B14R0.393 C/C=C/C(=O)NCCCCCCCCC WXVL_AK1826SB0340 [0,1,1,0,0,0|1,0,1]=4 56 B14R0.393 C=CCC(=O)NCCCCCCCCC WXVL_AK1826SB2732 [0,1,1,0,0,0|1,0,1]=4 57 B14R0.393 C=CCC(=O)NCCCCCCCCC WXVL_AK1826SB2732 [0,1,1,0,0,0|1,0,1]=4 58 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,1,1,0,0,0|1,0,1]=4 59 B14R0.393 CC#CC(=O)NCCCCCCCCC WXVL_AK1826SB1240 [0,1,1,0,0,0|1,0,1]=4 60 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,1,1,0,0,0|2,0,0]=4 61 B14R0.393 CCCC(=O)NCCCCCCCCO WXVL_AK4142SB0073 [0,1,1,0,0,0|2,0,0]=4 62 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,1,0,0,0|1,0,0]=3 63 B14R0.393 CCCCCCCCCCC(=O)NCC WXVL_AK00476SB0490 [0,1,1,0,0,0|1,0,0]=3 64 B14R0.393 CCCCCCCCCNC(=O)CC#N WXVL_AK1826SB0057 [0,1,1,0,0,0|1,0,1]=4 65 B14R0.393 CCCCCCCCCNC(=O)CC#N WXVL_AK1826SB0057 [0,1,1,0,0,0|1,0,1]=4 66 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,1,1,0,0,0|1,0,0]=3 67 B14R0.393 CCCCCCCCCNC(=O)CCC WXVL_AK1826SB0073 [0,1,1,0,0,0|1,0,0]=3 68 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,1,1,0,0,0|1,0,0]=3 69 B14R0.393 CCCCCCCCCNC(=O)COC WXVL_AK1826SB0090 [0,1,1,0,0,0|1,0,0]=3 70 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,1,1,0,0,0|1,0,0]=3 71 B14R0.393 CCCCCCCCCNC(=O)CSC WXVL_AK1826SB1267 [0,1,1,0,0,0|1,0,0]=3 72 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,1,1,0,0,0|2,0,0]=4 73 B14R0.393 COCC(=O)NCCCCCCCCO WXVL_AK4142SB0090 [0,1,1,0,0,0|2,0,0]=4 74 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,1,1,0,0,0|2,0,0]=4 75 B14R0.393 CSCC(=O)NCCCCCCCCO WXVL_AK4142SB1267 [0,1,1,0,0,0|2,0,0]=4 76 B14R0.2056 CCCCCCCCCNS(=O)(=O)CC WXVL_AK1826HU0028 [0,1,1,0,0,0|2,0,0]=4 77 B14R0.2056 CCCCCCCCCNS(=O)(=O)CC WXVL_AK1826HU0028 [0,1,1,0,0,0|2,0,0]=4 78 B14R1.1454 CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0150 [0,0,1,1,0,0|2,0,0]=4 79 B14R1.1454 CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0150 [0,0,1,1,0,0|2,0,0]=4 80 B14R1.716 CCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0064 [0,0,1,1,0,0|1,0,0]=3 81 B14R1.716 CCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0064 [0,0,1,1,0,0|1,0,0]=3 82 B14R1.716 CCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0064 [0,0,1,1,0,0|2,0,0]=4 83 B14R1.716 CCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0064 [0,0,1,1,0,0|2,0,0]=4 84 B14R1.716 CCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0064 [0,0,1,1,0,0|2,0,0]=4 85 B14R1.716 CCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0064 [0,0,1,1,0,0|2,0,0]=4 86 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [0,0,1,1,0,0|2,0,0]=4 87 B14R1.716 O=C(CO)NCCCC1CCCCC1 WXVL_AK4112SB2706 [0,0,1,1,0,0|2,0,0]=4 88 B14R1.789 CCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0064 [0,0,1,1,0,0|2,0,0]=4 89 B14R1.789 CCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0064 [0,0,1,1,0,0|2,0,0]=4