0 B14R1.158 C#CCCNC(=O)Cc1ccccc1 WXVL_AK3109SB0092 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.158 C#CCCNC(=O)Cc1ccccc1 WXVL_AK3109SB0092 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.158 C#CCCNC(=O)Cc1ccccn1 WXVL_AK3109SA0032 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.158 C#CCCNC(=O)Cc1ccccn1 WXVL_AK3109SA0032 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.158 C#CCCNC(=O)Cc1cccnc1 WXVL_AK3109SA0029 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.158 C#CCCNC(=O)Cc1cccnc1 WXVL_AK3109SA0029 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.158 C#CCCNC(=O)Cc1cccnc1 WXVL_AK3109SB00049 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.158 C#CCCNC(=O)Cc1cccnc1 WXVL_AK3109SB00049 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.158 C#CCCNC(=O)Cc1ccncc1 WXVL_AK3109SA00106 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.158 C#CCCNC(=O)Cc1ccncc1 WXVL_AK3109SA00106 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.158 C=CCCNC(=O)Cc1ccccc1 WXVL_AK00138SB0092 [0,0,0,0,0,0|2,0,2]=4 11 B14R1.158 C=CCCNC(=O)Cc1ccccc1 WXVL_AK00138SB0092 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,0,0,0,0,0|2,0,2]=4 14 B14R1.158 CSCCNC(=O)Cc1ccccc1 WXVL_AK00440SB0092 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.158 CSCCNC(=O)Cc1ccccc1 WXVL_AK00440SB0092 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.158 N#CCCNC(=O)Cc1ccccc1 WXVL_AK0087SB0092 [0,0,0,0,0,0|1,0,1]=2 17 B14R1.158 N#CCCNC(=O)Cc1ccccc1 WXVL_AK0087SB0092 [0,0,0,0,0,0|1,0,1]=2 18 B14R1.158 N#CCCNC(=O)Cc1ccccn1 WXVL_AK0087SA0032 [0,0,0,0,0,0|2,0,1]=3 19 B14R1.158 N#CCCNC(=O)Cc1ccccn1 WXVL_AK0087SA0032 [0,0,0,0,0,0|2,0,1]=3 20 B14R1.158 N#CCCNC(=O)Cc1cccnc1 WXVL_AK0087SA0029 [0,0,0,0,0,0|2,0,1]=3 21 B14R1.158 N#CCCNC(=O)Cc1cccnc1 WXVL_AK0087SA0029 [0,0,0,0,0,0|2,0,1]=3 22 B14R1.158 N#CCCNC(=O)Cc1cccnc1 WXVL_AK0087SB00049 [0,0,0,0,0,0|2,0,1]=3 23 B14R1.158 N#CCCNC(=O)Cc1cccnc1 WXVL_AK0087SB00049 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.158 N#CCCNC(=O)Cc1ccncc1 WXVL_AK0087SA00106 [0,0,0,0,0,0|2,0,1]=3 25 B14R1.158 N#CCCNC(=O)Cc1ccncc1 WXVL_AK0087SA00106 [0,0,0,0,0,0|2,0,1]=3 26 B14R1.158 N#CCCNC(=O)Cc1cncnc1 WXVL_AK0087SA0242 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.158 N#CCCNC(=O)Cc1cncnc1 WXVL_AK0087SA0242 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.158 N#CCCNC(=O)Cc1ncccn1 WXVL_AK0087SA0307 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.158 N#CCCNC(=O)Cc1ncccn1 WXVL_AK0087SA0307 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.158 N#CCCNC(=O)Nc1ccccn1 WXVL_AK0087YV0189 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.158 N#CCCNC(=O)Nc1ccccn1 WXVL_AK0087YV0189 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.158 O=C(Cc1ccccc1)NCCCO WXVL_AK0073SB0092 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.158 O=C(Cc1ccccc1)NCCCO WXVL_AK0073SB0092 [0,0,0,0,0,0|2,0,2]=4 34 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [1,0,0,0,0,0|1,0,2]=4 35 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [1,0,0,0,0,0|1,0,2]=4 36 B13R1.44 N#CCNC(=O)Cc1ccccc1 WXVL_AK0683SB0092 [1,0,0,0,0,0|1,0,1]=3 37 B13R1.44 N#CCNC(=O)Cc1ccccc1 WXVL_AK0683SB0092 [1,0,0,0,0,0|1,0,1]=3 38 B13R1.44 N#CCNC(=O)Cc1ccccn1 WXVL_AK0683SA0032 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.44 N#CCNC(=O)Cc1ccccn1 WXVL_AK0683SA0032 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.44 N#CCNC(=O)Cc1cccnc1 WXVL_AK0683SA0029 [1,0,0,0,0,0|2,0,1]=4 41 B13R1.44 N#CCNC(=O)Cc1cccnc1 WXVL_AK0683SA0029 [1,0,0,0,0,0|2,0,1]=4 42 B13R1.44 N#CCNC(=O)Cc1cccnc1 WXVL_AK0683SB00049 [1,0,0,0,0,0|2,0,1]=4 43 B13R1.44 N#CCNC(=O)Cc1cccnc1 WXVL_AK0683SB00049 [1,0,0,0,0,0|2,0,1]=4 44 B13R1.44 N#CCNC(=O)Cc1ccncc1 WXVL_AK0683SA00106 [1,0,0,0,0,0|2,0,1]=4 45 B13R1.44 N#CCNC(=O)Cc1ccncc1 WXVL_AK0683SA00106 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [1,0,0,0,0,0|2,0,1]=4 48 B15R1.83 C#CCCCNC(=O)Cc1ccccc1 WXVL_AK00218SB0092 [0,1,0,0,0,0|2,0,1]=4 49 B15R1.83 C#CCCCNC(=O)Cc1ccccc1 WXVL_AK00218SB0092 [0,1,0,0,0,0|2,0,1]=4 50 B15R1.93 C#CCCNC(=O)C(C)c1ccccc1 WXVL_AK3109SB2326 [0,1,0,0,0,0|2,0,1]=4 51 B15R1.93 C#CCCNC(=O)C(C)c1ccccc1 WXVL_AK3109SB2326 [0,1,0,0,0,0|2,0,1]=4 52 B15R1.93 C#CCCNC(=O)C(O)c1ccccc1 WXVL_AK3109SB0168 [0,1,0,0,0,0|2,0,1]=4 53 B15R1.93 C#CCCNC(=O)C(O)c1ccccc1 WXVL_AK3109SB0168 [0,1,0,0,0,0|2,0,1]=4 54 B15R1.93 CC(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB2326 [0,1,0,0,0,0|1,0,1]=3 55 B15R1.93 CC(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB2326 [0,1,0,0,0,0|1,0,1]=3 56 B15R1.93 N#CCCNC(=O)C(=O)c1ccccc1 WXVL_AK0087SB0050 [0,1,0,0,0,0|1,0,2]=4 57 B15R1.93 N#CCCNC(=O)C(=O)c1ccccc1 WXVL_AK0087SB0050 [0,1,0,0,0,0|1,0,2]=4 58 B15R1.93 N#CCCNC(=O)C(O)c1ccccc1 WXVL_AK0087SB0168 [0,1,0,0,0,0|1,0,1]=3 59 B15R1.93 N#CCCNC(=O)C(O)c1ccccc1 WXVL_AK0087SB0168 [0,1,0,0,0,0|1,0,1]=3 60 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Br WXVL_AK3109SB0926 [0,1,0,0,0,0|2,0,1]=4 61 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Br WXVL_AK3109SB0926 [0,1,0,0,0,0|2,0,1]=4 62 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)C WXVL_AK3109SB0112 [0,1,0,0,0,0|2,0,1]=4 63 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)C WXVL_AK3109SB0112 [0,1,0,0,0,0|2,0,1]=4 64 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK3109SB0107 [0,1,0,0,0,0|2,0,1]=4 65 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK3109SB0107 [0,1,0,0,0,0|2,0,1]=4 66 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F WXVL_AK3109SB0106 [0,1,0,0,0,0|2,0,1]=4 67 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)F WXVL_AK3109SB0106 [0,1,0,0,0,0|2,0,1]=4 68 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)O WXVL_AK3109SB0110 [0,1,0,0,0,0|2,0,1]=4 69 B15R1.128 C#CCCNC(=O)Cc1ccc(cc1)O WXVL_AK3109SB0110 [0,1,0,0,0,0|2,0,1]=4 70 B15R1.128 Cc1ccc(cc1)CC(=O)NCCC#N WXVL_AK0087SB0112 [0,1,0,0,0,0|1,0,1]=3 71 B15R1.128 Cc1ccc(cc1)CC(=O)NCCC#N WXVL_AK0087SB0112 [0,1,0,0,0,0|1,0,1]=3 72 B15R1.128 Cc1ccc(cc1)NC(=O)NCCC#N WXVL_AK0087YV0026 [0,1,0,0,0,0|2,0,1]=4 73 B15R1.128 Cc1ccc(cc1)NC(=O)NCCC#N WXVL_AK0087YV0026 [0,1,0,0,0,0|2,0,1]=4 74 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N WXVL_AK0087SA0250 [0,1,0,0,0,0|2,0,1]=4 75 B15R1.128 Cc1ccc(cn1)CC(=O)NCCC#N WXVL_AK0087SA0250 [0,1,0,0,0,0|2,0,1]=4 76 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Br WXVL_AK0087SB0926 [0,1,0,0,0,0|1,0,1]=3 77 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Br WXVL_AK0087SB0926 [0,1,0,0,0,0|1,0,1]=3 78 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK0087SB0107 [0,1,0,0,0,0|1,0,1]=3 79 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)Cl WXVL_AK0087SB0107 [0,1,0,0,0,0|1,0,1]=3 80 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F WXVL_AK0087SB0106 [0,1,0,0,0,0|1,0,1]=3 81 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)F WXVL_AK0087SB0106 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)O WXVL_AK0087SB0110 [0,1,0,0,0,0|1,0,1]=3 83 B15R1.128 N#CCCNC(=O)Cc1ccc(cc1)O WXVL_AK0087SB0110 [0,1,0,0,0,0|1,0,1]=3 84 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Br WXVL_AK0087SA0212 [0,1,0,0,0,0|2,0,1]=4 85 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Br WXVL_AK0087SA0212 [0,1,0,0,0,0|2,0,1]=4 86 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl WXVL_AK0087SA0537 [0,1,0,0,0,0|2,0,1]=4 87 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)Cl WXVL_AK0087SA0537 [0,1,0,0,0,0|2,0,1]=4 88 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)F WXVL_AK0087SA0011 [0,1,0,0,0,0|2,0,1]=4 89 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)F WXVL_AK0087SA0011 [0,1,0,0,0,0|2,0,1]=4 90 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)O WXVL_AK0087SA2976 [0,1,0,0,0,0|2,0,1]=4 91 B15R1.128 N#CCCNC(=O)Cc1ccc(cn1)O WXVL_AK0087SA2976 [0,1,0,0,0,0|2,0,1]=4 92 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Br WXVL_AK0087SA00056 [0,1,0,0,0,0|2,0,1]=4 93 B15R1.128 N#CCCNC(=O)Cc1ccc(nc1)Br WXVL_AK0087SA00056 [0,1,0,0,0,0|2,0,1]=4 94 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)Cl WXVL_AK0087YV0023 [0,1,0,0,0,0|2,0,1]=4 95 B15R1.128 N#CCCNC(=O)Nc1ccc(cc1)Cl WXVL_AK0087YV0023 [0,1,0,0,0,0|2,0,1]=4 96 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Br WXVL_AK3109SB0099 [0,1,0,0,0,0|2,0,1]=4 97 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Br WXVL_AK3109SB0099 [0,1,0,0,0,0|2,0,1]=4 98 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C WXVL_AK3109SB0105 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)C WXVL_AK3109SB0105 [0,1,0,0,0,0|2,0,1]=4 100 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl WXVL_AK3109SB0101 [0,1,0,0,0,0|2,0,1]=4 101 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)Cl WXVL_AK3109SB0101 [0,1,0,0,0,0|2,0,1]=4 102 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F WXVL_AK3109SB0100 [0,1,0,0,0,0|2,0,1]=4 103 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)F WXVL_AK3109SB0100 [0,1,0,0,0,0|2,0,1]=4 104 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)O WXVL_AK3109SB0104 [0,1,0,0,0,0|2,0,1]=4 105 B15R1.129 C#CCCNC(=O)Cc1cccc(c1)O WXVL_AK3109SB0104 [0,1,0,0,0,0|2,0,1]=4 106 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N WXVL_AK0087SB0105 [0,1,0,0,0,0|1,0,1]=3 107 B15R1.129 Cc1cccc(c1)CC(=O)NCCC#N WXVL_AK0087SB0105 [0,1,0,0,0,0|1,0,1]=3 108 B15R1.129 Cc1cccc(c1)NC(=O)NCCC#N WXVL_AK0087YV0020 [0,1,0,0,0,0|2,0,1]=4 109 B15R1.129 Cc1cccc(c1)NC(=O)NCCC#N WXVL_AK0087YV0020 [0,1,0,0,0,0|2,0,1]=4 110 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N WXVL_AK0087SA0399 [0,1,0,0,0,0|2,0,1]=4 111 B15R1.129 Cc1cccc(n1)CC(=O)NCCC#N WXVL_AK0087SA0399 [0,1,0,0,0,0|2,0,1]=4 112 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Br WXVL_AK0087SB0099 [0,1,0,0,0,0|1,0,1]=3 113 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Br WXVL_AK0087SB0099 [0,1,0,0,0,0|1,0,1]=3 114 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl WXVL_AK0087SB0101 [0,1,0,0,0,0|1,0,1]=3 115 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)Cl WXVL_AK0087SB0101 [0,1,0,0,0,0|1,0,1]=3 116 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F WXVL_AK0087SB0100 [0,1,0,0,0,0|1,0,1]=3 117 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)F WXVL_AK0087SB0100 [0,1,0,0,0,0|1,0,1]=3 118 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)O WXVL_AK0087SB0104 [0,1,0,0,0,0|1,0,1]=3 119 B15R1.129 N#CCCNC(=O)Cc1cccc(c1)O WXVL_AK0087SB0104 [0,1,0,0,0,0|1,0,1]=3 120 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Cl WXVL_AK0087SA0313 [0,1,0,0,0,0|2,0,1]=4 121 B15R1.129 N#CCCNC(=O)Cc1cccc(n1)Cl WXVL_AK0087SA0313 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br WXVL_AK0087SA0520 [0,1,0,0,0,0|2,0,1]=4 123 B15R1.129 N#CCCNC(=O)Cc1ccnc(c1)Br WXVL_AK0087SA0520 [0,1,0,0,0,0|2,0,1]=4 124 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Br WXVL_AK0087YV0098 [0,1,0,0,0,0|2,0,1]=4 125 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Br WXVL_AK0087YV0098 [0,1,0,0,0,0|2,0,1]=4 126 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Cl WXVL_AK0087YV0016 [0,1,0,0,0,0|2,0,1]=4 127 B15R1.129 N#CCCNC(=O)Nc1cccc(c1)Cl WXVL_AK0087YV0016 [0,1,0,0,0,0|2,0,1]=4 128 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB2189 [0,1,0,0,0,0|3,0,0]=4 129 B15R1.551 C#CCCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB2189 [0,1,0,0,0,0|3,0,0]=4 130 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N WXVL_AK0683SB3205 [0,1,0,0,0,0|2,0,0]=3 131 B15R1.551 CC(Cc1ccccc1)C(=O)NCC#N WXVL_AK0683SB3205 [0,1,0,0,0,0|2,0,0]=3 132 B15R1.551 CC(Cc1ccccn1)C(=O)NCC#N WXVL_AK0683SA0686 [0,1,0,0,0,0|3,0,0]=4 133 B15R1.551 CC(Cc1ccccn1)C(=O)NCC#N WXVL_AK0683SA0686 [0,1,0,0,0,0|3,0,0]=4 134 B15R1.551 CC(Oc1ccccc1)C(=O)NCC#N WXVL_AK0683SB0426 [0,1,0,0,0,0|3,0,0]=4 135 B15R1.551 CC(Oc1ccccc1)C(=O)NCC#N WXVL_AK0683SB0426 [0,1,0,0,0,0|3,0,0]=4 136 B15R1.551 CC(Sc1ccccc1)C(=O)NCC#N WXVL_AK0683SB9992 [0,1,0,0,0,0|3,0,0]=4 137 B15R1.551 CC(Sc1ccccc1)C(=O)NCC#N WXVL_AK0683SB9992 [0,1,0,0,0,0|3,0,0]=4 138 B15R1.551 C[C@@H](Oc1ccccc1)C(=O)NCC#N WXVL_AK0683SB5803 [0,1,0,0,0,0|3,0,0]=4 139 B15R1.551 C[C@@H](Oc1ccccc1)C(=O)NCC#N WXVL_AK0683SB5803 [0,1,0,0,0,0|3,0,0]=4 140 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccccc1 WXVL_AK00595SB0092 [0,1,0,0,0,0|1,0,1]=3 141 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccccc1 WXVL_AK00595SB0092 [0,1,0,0,0,0|1,0,1]=3 142 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccccn1 WXVL_AK00595SA0032 [0,1,0,0,0,0|2,0,1]=4 143 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccccn1 WXVL_AK00595SA0032 [0,1,0,0,0,0|2,0,1]=4 144 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 WXVL_AK00595SA0029 [0,1,0,0,0,0|2,0,1]=4 145 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 WXVL_AK00595SA0029 [0,1,0,0,0,0|2,0,1]=4 146 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 WXVL_AK00595SB00049 [0,1,0,0,0,0|2,0,1]=4 147 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1cccnc1 WXVL_AK00595SB00049 [0,1,0,0,0,0|2,0,1]=4 148 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccncc1 WXVL_AK00595SA00106 [0,1,0,0,0,0|2,0,1]=4 149 B15R1.809 C[C@@H](CC#N)NC(=O)Cc1ccncc1 WXVL_AK00595SA00106 [0,1,0,0,0,0|2,0,1]=4 150 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Br WXVL_AK3109SB0093 [0,1,0,0,0,0|2,0,1]=4 151 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Br WXVL_AK3109SB0093 [0,1,0,0,0,0|2,0,1]=4 152 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C WXVL_AK3109SB0098 [0,1,0,0,0,0|2,0,1]=4 153 B15R1.1409 C#CCCNC(=O)Cc1ccccc1C WXVL_AK3109SB0098 [0,1,0,0,0,0|2,0,1]=4 154 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl WXVL_AK3109SB0095 [0,1,0,0,0,0|2,0,1]=4 155 B15R1.1409 C#CCCNC(=O)Cc1ccccc1Cl WXVL_AK3109SB0095 [0,1,0,0,0,0|2,0,1]=4 156 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F WXVL_AK3109SB0094 [0,1,0,0,0,0|2,0,1]=4 157 B15R1.1409 C#CCCNC(=O)Cc1ccccc1F WXVL_AK3109SB0094 [0,1,0,0,0,0|2,0,1]=4 158 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I WXVL_AK3109SB1145 [0,1,0,0,0,0|2,0,1]=4 159 B15R1.1409 C#CCCNC(=O)Cc1ccccc1I WXVL_AK3109SB1145 [0,1,0,0,0,0|2,0,1]=4 160 B15R1.1409 C#CCCNC(=O)Cc1ccccc1O WXVL_AK3109SB0400 [0,1,0,0,0,0|2,0,1]=4 161 B15R1.1409 C#CCCNC(=O)Cc1ccccc1O WXVL_AK3109SB0400 [0,1,0,0,0,0|2,0,1]=4 162 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N WXVL_AK0087SB0098 [0,1,0,0,0,0|1,0,1]=3 163 B15R1.1409 Cc1ccccc1CC(=O)NCCC#N WXVL_AK0087SB0098 [0,1,0,0,0,0|1,0,1]=3 164 B15R1.1409 Cc1ccccc1NC(=O)NCCC#N WXVL_AK0087YV0013 [0,1,0,0,0,0|2,0,1]=4 165 B15R1.1409 Cc1ccccc1NC(=O)NCCC#N WXVL_AK0087YV0013 [0,1,0,0,0,0|2,0,1]=4 166 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Br WXVL_AK0087SB0093 [0,1,0,0,0,0|1,0,1]=3 167 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Br WXVL_AK0087SB0093 [0,1,0,0,0,0|1,0,1]=3 168 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl WXVL_AK0087SB0095 [0,1,0,0,0,0|1,0,1]=3 169 B15R1.1409 N#CCCNC(=O)Cc1ccccc1Cl WXVL_AK0087SB0095 [0,1,0,0,0,0|1,0,1]=3 170 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F WXVL_AK0087SB0094 [0,1,0,0,0,0|1,0,1]=3 171 B15R1.1409 N#CCCNC(=O)Cc1ccccc1F WXVL_AK0087SB0094 [0,1,0,0,0,0|1,0,1]=3 172 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I WXVL_AK0087SB1145 [0,1,0,0,0,0|1,0,1]=3 173 B15R1.1409 N#CCCNC(=O)Cc1ccccc1I WXVL_AK0087SB1145 [0,1,0,0,0,0|1,0,1]=3 174 B15R1.1409 N#CCCNC(=O)Cc1ccccc1O WXVL_AK0087SB0400 [0,1,0,0,0,0|1,0,1]=3 175 B15R1.1409 N#CCCNC(=O)Cc1ccccc1O WXVL_AK0087SB0400 [0,1,0,0,0,0|1,0,1]=3 176 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl WXVL_AK0087SA0056 [0,1,0,0,0,0|2,0,1]=4 177 B15R1.1409 N#CCCNC(=O)Cc1cccnc1Cl WXVL_AK0087SA0056 [0,1,0,0,0,0|2,0,1]=4 178 B15R1.1409 N#CCCNC(=O)Nc1ccccc1Br WXVL_AK0087YV0003 [0,1,0,0,0,0|2,0,1]=4 179 B15R1.1409 N#CCCNC(=O)Nc1ccccc1Br WXVL_AK0087YV0003 [0,1,0,0,0,0|2,0,1]=4 180 B15R1.1409 N#CCCNC(=O)Nc1ccccc1Cl WXVL_AK0087YV0007 [0,1,0,0,0,0|2,0,1]=4 181 B15R1.1409 N#CCCNC(=O)Nc1ccccc1Cl WXVL_AK0087YV0007 [0,1,0,0,0,0|2,0,1]=4 182 B15R1.2074 C#CCCNS(=O)(=O)Cc1ccccc1 WXVL_AK3109HU0025 [0,1,0,0,0,0|3,0,0]=4 183 B15R1.2074 C#CCCNS(=O)(=O)Cc1ccccc1 WXVL_AK3109HU0025 [0,1,0,0,0,0|3,0,0]=4 184 B15R1.2074 N#CCCNS(=O)(=O)Cc1ccccc1 WXVL_AK0087HU0025 [0,1,0,0,0,0|2,0,0]=3 185 B15R1.2074 N#CCCNS(=O)(=O)Cc1ccccc1 WXVL_AK0087HU0025 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.24 C#CCCNC(=O)c1ccccc1 WXVL_AK3109SD0001 [0,0,0,0,1,0|2,0,1]=4 187 B13R1.24 C#CCCNC(=O)c1ccccc1 WXVL_AK3109SD0001 [0,0,0,0,1,0|2,0,1]=4 188 B13R1.24 N#CCCNC(=O)c1ccccc1 WXVL_AK0087SD0001 [0,0,0,0,1,0|1,0,1]=3 189 B13R1.24 N#CCCNC(=O)c1ccccc1 WXVL_AK0087SD0001 [0,0,0,0,1,0|1,0,1]=3 190 B13R1.24 N#CCCNC(=O)c1ccccn1 WXVL_AK0087SC0058 [0,0,0,0,1,0|2,0,1]=4 191 B13R1.24 N#CCCNC(=O)c1ccccn1 WXVL_AK0087SC0058 [0,0,0,0,1,0|2,0,1]=4 192 B13R1.24 N#CCCNC(=O)c1cccnc1 WXVL_AK0087SC0061 [0,0,0,0,1,0|2,0,1]=4 193 B13R1.24 N#CCCNC(=O)c1cccnc1 WXVL_AK0087SC0061 [0,0,0,0,1,0|2,0,1]=4 194 B13R1.24 N#CCCNC(=O)c1ccncc1 WXVL_AK0087SC0062 [0,0,0,0,1,0|2,0,1]=4 195 B13R1.24 N#CCCNC(=O)c1ccncc1 WXVL_AK0087SC0062 [0,0,0,0,1,0|2,0,1]=4 196 B13R1.156 N#CCCNC(=O)Cc1cccs1 WXVL_AK0087SA0018 [0,0,0,0,1,0|2,0,1]=4 197 B13R1.156 N#CCCNC(=O)Cc1cccs1 WXVL_AK0087SA0018 [0,0,0,0,1,0|2,0,1]=4 198 B13R1.156 N#CCCNC(=O)Cc1ccsc1 WXVL_AK0087SA0020 [0,0,0,0,1,0|2,0,1]=4 199 B13R1.156 N#CCCNC(=O)Cc1ccsc1 WXVL_AK0087SA0020 [0,0,0,0,1,0|2,0,1]=4 200 B15R1.78 C#CCCNC(=O)CCc1ccccc1 WXVL_AK3109SB0067 [0,0,0,0,0,1|2,0,1]=4 201 B15R1.78 C#CCCNC(=O)CCc1ccccc1 WXVL_AK3109SB0067 [0,0,0,0,0,1|2,0,1]=4 202 B15R1.78 C#CCCNC(=O)COc1ccccc1 WXVL_AK3109SB0086 [0,0,0,0,0,1|2,0,1]=4 203 B15R1.78 C#CCCNC(=O)COc1ccccc1 WXVL_AK3109SB0086 [0,0,0,0,0,1|2,0,1]=4 204 B15R1.78 C#CCCNC(=O)CSc1ccccc1 WXVL_AK3109SB0113 [0,0,0,0,0,1|2,0,1]=4 205 B15R1.78 C#CCCNC(=O)CSc1ccccc1 WXVL_AK3109SB0113 [0,0,0,0,0,1|2,0,1]=4 206 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,0,0,0,0,1|1,0,2]=4 207 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [0,0,0,0,0,1|1,0,2]=4 208 B15R1.78 N#CCCNC(=O)C#Cc1ccccc1 WXVL_AK0087SB0114 [0,0,0,0,0,1|1,0,2]=4 209 B15R1.78 N#CCCNC(=O)C#Cc1ccccc1 WXVL_AK0087SB0114 [0,0,0,0,0,1|1,0,2]=4 210 B15R1.78 N#CCCNC(=O)CCc1ccccc1 WXVL_AK0087SB0067 [0,0,0,0,0,1|1,0,1]=3 211 B15R1.78 N#CCCNC(=O)CCc1ccccc1 WXVL_AK0087SB0067 [0,0,0,0,0,1|1,0,1]=3 212 B15R1.78 N#CCCNC(=O)CCc1ccccn1 WXVL_AK0087SA0316 [0,0,0,0,0,1|2,0,1]=4 213 B15R1.78 N#CCCNC(=O)CCc1ccccn1 WXVL_AK0087SA0316 [0,0,0,0,0,1|2,0,1]=4 214 B15R1.78 N#CCCNC(=O)CCc1cccnc1 WXVL_AK0087SA0031 [0,0,0,0,0,1|2,0,1]=4 215 B15R1.78 N#CCCNC(=O)CCc1cccnc1 WXVL_AK0087SA0031 [0,0,0,0,0,1|2,0,1]=4 216 B15R1.78 N#CCCNC(=O)COc1ccccc1 WXVL_AK0087SB0086 [0,0,0,0,0,1|1,0,1]=3 217 B15R1.78 N#CCCNC(=O)COc1ccccc1 WXVL_AK0087SB0086 [0,0,0,0,0,1|1,0,1]=3 218 B15R1.78 N#CCCNC(=O)COc1cccnc1 WXVL_AK0087SA0051 [0,0,0,0,0,1|2,0,1]=4 219 B15R1.78 N#CCCNC(=O)COc1cccnc1 WXVL_AK0087SA0051 [0,0,0,0,0,1|2,0,1]=4 220 B15R1.78 N#CCCNC(=O)CSc1ccccc1 WXVL_AK0087SB0113 [0,0,0,0,0,1|1,0,1]=3 221 B15R1.78 N#CCCNC(=O)CSc1ccccc1 WXVL_AK0087SB0113 [0,0,0,0,0,1|1,0,1]=3 222 B15R1.78 N#CCCNC(=O)CSc1ccncc1 WXVL_AK0087SA0055 [0,0,0,0,0,1|2,0,1]=4 223 B15R1.78 N#CCCNC(=O)CSc1ccncc1 WXVL_AK0087SA0055 [0,0,0,0,0,1|2,0,1]=4 224 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [2,0,0,0,0,0|1,0,1]=4 225 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [2,0,0,0,0,0|1,0,1]=4 226 B14R1.156 N#CCNC(=O)CCc1ccccc1 WXVL_AK0683SB0067 [1,1,0,0,0,0|2,0,0]=4 227 B14R1.156 N#CCNC(=O)CCc1ccccc1 WXVL_AK0683SB0067 [1,1,0,0,0,0|2,0,0]=4 228 B14R1.520 C#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB3070 [1,1,0,0,0,0|1,0,1]=4 229 B14R1.520 C#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB3070 [1,1,0,0,0,0|1,0,1]=4 230 B14R1.520 N#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0057 [1,1,0,0,0,0|0,0,1]=3 231 B14R1.520 N#CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0057 [1,1,0,0,0,0|0,0,1]=3 232 B14R1.520 N#CCC(=O)NCCc1ccccn1 WXVL_AK0019SB0057 [1,1,0,0,0,0|1,0,1]=4 233 B14R1.520 N#CCC(=O)NCCc1ccccn1 WXVL_AK0019SB0057 [1,1,0,0,0,0|1,0,1]=4 234 B14R1.520 N#CCC(=O)NCCc1cccnc1 WXVL_AK00436SB0057 [1,1,0,0,0,0|1,0,1]=4 235 B14R1.520 N#CCC(=O)NCCc1cccnc1 WXVL_AK00436SB0057 [1,1,0,0,0,0|1,0,1]=4 236 B14R1.520 N#CCC(=O)NCCc1ccncc1 WXVL_AK0093SB0057 [1,1,0,0,0,0|1,0,1]=4 237 B14R1.520 N#CCC(=O)NCCc1ccncc1 WXVL_AK0093SB0057 [1,1,0,0,0,0|1,0,1]=4 238 B14R1.33 Cc1ccc(cc1)CC(=O)NCC#N WXVL_AK0683SB0112 [1,1,0,0,0,0|1,0,1]=4 239 B14R1.33 Cc1ccc(cc1)CC(=O)NCC#N WXVL_AK0683SB0112 [1,1,0,0,0,0|1,0,1]=4 240 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Br WXVL_AK0683SB0926 [1,1,0,0,0,0|1,0,1]=4 241 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Br WXVL_AK0683SB0926 [1,1,0,0,0,0|1,0,1]=4 242 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK0683SB0107 [1,1,0,0,0,0|1,0,1]=4 243 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK0683SB0107 [1,1,0,0,0,0|1,0,1]=4 244 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)F WXVL_AK0683SB0106 [1,1,0,0,0,0|1,0,1]=4 245 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)F WXVL_AK0683SB0106 [1,1,0,0,0,0|1,0,1]=4 246 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)O WXVL_AK0683SB0110 [1,1,0,0,0,0|1,0,1]=4 247 B14R1.33 N#CCNC(=O)Cc1ccc(cc1)O WXVL_AK0683SB0110 [1,1,0,0,0,0|1,0,1]=4 248 B14R1.34 Cc1cccc(c1)CC(=O)NCC#N WXVL_AK0683SB0105 [1,1,0,0,0,0|1,0,1]=4 249 B14R1.34 Cc1cccc(c1)CC(=O)NCC#N WXVL_AK0683SB0105 [1,1,0,0,0,0|1,0,1]=4 250 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Br WXVL_AK0683SB0099 [1,1,0,0,0,0|1,0,1]=4 251 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Br WXVL_AK0683SB0099 [1,1,0,0,0,0|1,0,1]=4 252 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Cl WXVL_AK0683SB0101 [1,1,0,0,0,0|1,0,1]=4 253 B14R1.34 N#CCNC(=O)Cc1cccc(c1)Cl WXVL_AK0683SB0101 [1,1,0,0,0,0|1,0,1]=4 254 B14R1.34 N#CCNC(=O)Cc1cccc(c1)F WXVL_AK0683SB0100 [1,1,0,0,0,0|1,0,1]=4 255 B14R1.34 N#CCNC(=O)Cc1cccc(c1)F WXVL_AK0683SB0100 [1,1,0,0,0,0|1,0,1]=4 256 B14R1.34 N#CCNC(=O)Cc1cccc(c1)O WXVL_AK0683SB0104 [1,1,0,0,0,0|1,0,1]=4 257 B14R1.34 N#CCNC(=O)Cc1cccc(c1)O WXVL_AK0683SB0104 [1,1,0,0,0,0|1,0,1]=4 258 B14R1.60 CN(CC#N)C(=O)Cc1ccccc1 WXVL_AN2942SB0092 [1,1,0,0,0,0|1,0,1]=4 259 B14R1.60 CN(CC#N)C(=O)Cc1ccccc1 WXVL_AN2942SB0092 [1,1,0,0,0,0|1,0,1]=4 260 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N WXVL_AN0033SB0057 [1,1,0,0,0,0|1,0,1]=4 261 B14R1.60 CN(Cc1ccccc1)C(=O)CC#N WXVL_AN0033SB0057 [1,1,0,0,0,0|1,0,1]=4 262 B14R1.166 CC(C(=O)NCC#N)c1ccccc1 WXVL_AK0683SB2326 [1,1,0,0,0,0|1,0,1]=4 263 B14R1.166 CC(C(=O)NCC#N)c1ccccc1 WXVL_AK0683SB2326 [1,1,0,0,0,0|1,0,1]=4 264 B14R1.166 N#CCNC(=O)C(O)c1ccccc1 WXVL_AK0683SB0168 [1,1,0,0,0,0|1,0,1]=4 265 B14R1.166 N#CCNC(=O)C(O)c1ccccc1 WXVL_AK0683SB0168 [1,1,0,0,0,0|1,0,1]=4 266 B14R1.743 CC(C#N)NC(=O)Cc1ccccc1 WXVL_AK00810SB0092 [1,1,0,0,0,0|1,0,1]=4 267 B14R1.743 CC(C#N)NC(=O)Cc1ccccc1 WXVL_AK00810SB0092 [1,1,0,0,0,0|1,0,1]=4 268 B14R1.946 Cc1ccccc1CC(=O)NCC#N WXVL_AK0683SB0098 [1,1,0,0,0,0|1,0,1]=4 269 B14R1.946 Cc1ccccc1CC(=O)NCC#N WXVL_AK0683SB0098 [1,1,0,0,0,0|1,0,1]=4 270 B14R1.946 N#CCNC(=O)Cc1ccccc1Br WXVL_AK0683SB0093 [1,1,0,0,0,0|1,0,1]=4 271 B14R1.946 N#CCNC(=O)Cc1ccccc1Br WXVL_AK0683SB0093 [1,1,0,0,0,0|1,0,1]=4 272 B14R1.946 N#CCNC(=O)Cc1ccccc1Cl WXVL_AK0683SB0095 [1,1,0,0,0,0|1,0,1]=4 273 B14R1.946 N#CCNC(=O)Cc1ccccc1Cl WXVL_AK0683SB0095 [1,1,0,0,0,0|1,0,1]=4 274 B14R1.946 N#CCNC(=O)Cc1ccccc1F WXVL_AK0683SB0094 [1,1,0,0,0,0|1,0,1]=4 275 B14R1.946 N#CCNC(=O)Cc1ccccc1F WXVL_AK0683SB0094 [1,1,0,0,0,0|1,0,1]=4 276 B14R1.946 N#CCNC(=O)Cc1ccccc1I WXVL_AK0683SB1145 [1,1,0,0,0,0|1,0,1]=4 277 B14R1.946 N#CCNC(=O)Cc1ccccc1I WXVL_AK0683SB1145 [1,1,0,0,0,0|1,0,1]=4 278 B14R1.946 N#CCNC(=O)Cc1ccccc1O WXVL_AK0683SB0400 [1,1,0,0,0,0|1,0,1]=4 279 B14R1.946 N#CCNC(=O)Cc1ccccc1O WXVL_AK0683SB0400 [1,1,0,0,0,0|1,0,1]=4 280 B14R1.4528 N#CCNS(=O)(=O)Cc1ccccc1 WXVL_AK0683HU0025 [1,1,0,0,0,0|2,0,0]=4 281 B14R1.4528 N#CCNS(=O)(=O)Cc1ccccc1 WXVL_AK0683HU0025 [1,1,0,0,0,0|2,0,0]=4 282 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N WXVL_AK0087SD0078 [0,1,0,0,1,0|1,0,1]=4 283 B14R1.19 Cc1ccc(cc1)C(=O)NCCC#N WXVL_AK0087SD0078 [0,1,0,0,1,0|1,0,1]=4 284 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br WXVL_AK0087SD0060 [0,1,0,0,1,0|1,0,1]=4 285 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Br WXVL_AK0087SD0060 [0,1,0,0,1,0|1,0,1]=4 286 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl WXVL_AK0087SD0062 [0,1,0,0,1,0|1,0,1]=4 287 B14R1.19 N#CCCNC(=O)c1ccc(cc1)Cl WXVL_AK0087SD0062 [0,1,0,0,1,0|1,0,1]=4 288 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F WXVL_AK0087SD0061 [0,1,0,0,1,0|1,0,1]=4 289 B14R1.19 N#CCCNC(=O)c1ccc(cc1)F WXVL_AK0087SD0061 [0,1,0,0,1,0|1,0,1]=4 290 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I WXVL_AK0087SD0421 [0,1,0,0,1,0|1,0,1]=4 291 B14R1.19 N#CCCNC(=O)c1ccc(cc1)I WXVL_AK0087SD0421 [0,1,0,0,1,0|1,0,1]=4 292 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O WXVL_AK0087SD0069 [0,1,0,0,1,0|1,0,1]=4 293 B14R1.19 N#CCCNC(=O)c1ccc(cc1)O WXVL_AK0087SD0069 [0,1,0,0,1,0|1,0,1]=4 294 B14R1.19 N#CCCNC(=O)c1ccc(cc1)S WXVL_AK0087SD0154 [0,1,0,0,1,0|1,0,1]=4 295 B14R1.19 N#CCCNC(=O)c1ccc(cc1)S WXVL_AK0087SD0154 [0,1,0,0,1,0|1,0,1]=4 296 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N WXVL_AK0087SD0056 [0,1,0,0,1,0|1,0,1]=4 297 B14R1.20 Cc1cccc(c1)C(=O)NCCC#N WXVL_AK0087SD0056 [0,1,0,0,1,0|1,0,1]=4 298 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br WXVL_AK0087SD0041 [0,1,0,0,1,0|1,0,1]=4 299 B14R1.20 N#CCCNC(=O)c1cccc(c1)Br WXVL_AK0087SD0041 [0,1,0,0,1,0|1,0,1]=4 300 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl WXVL_AK0087SD0045 [0,1,0,0,1,0|1,0,1]=4 301 B14R1.20 N#CCCNC(=O)c1cccc(c1)Cl WXVL_AK0087SD0045 [0,1,0,0,1,0|1,0,1]=4 302 B14R1.20 N#CCCNC(=O)c1cccc(c1)F WXVL_AK0087SD0043 [0,1,0,0,1,0|1,0,1]=4 303 B14R1.20 N#CCCNC(=O)c1cccc(c1)F WXVL_AK0087SD0043 [0,1,0,0,1,0|1,0,1]=4 304 B14R1.20 N#CCCNC(=O)c1cccc(c1)I WXVL_AK0087SD0405 [0,1,0,0,1,0|1,0,1]=4 305 B14R1.20 N#CCCNC(=O)c1cccc(c1)I WXVL_AK0087SD0405 [0,1,0,0,1,0|1,0,1]=4 306 B14R1.20 N#CCCNC(=O)c1cccc(c1)O WXVL_AK0087SD1724 [0,1,0,0,1,0|1,0,1]=4 307 B14R1.20 N#CCCNC(=O)c1cccc(c1)O WXVL_AK0087SD1724 [0,1,0,0,1,0|1,0,1]=4 308 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 WXVL_AK0585SB0057 [0,1,0,0,1,0|1,0,1]=4 309 B14R1.29 CC(NC(=O)CC#N)c1ccccn1 WXVL_AK0585SB0057 [0,1,0,0,1,0|1,0,1]=4 310 B14R1.29 CC(NC(=O)CC#N)c1ccncc1 WXVL_AK0282SB0057 [0,1,0,0,1,0|1,0,1]=4 311 B14R1.29 CC(NC(=O)CC#N)c1ccncc1 WXVL_AK0282SB0057 [0,1,0,0,1,0|1,0,1]=4 312 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 WXVL_AK00595SD0001 [0,1,0,0,1,0|1,0,1]=4 313 B14R1.29 C[C@@H](CC#N)NC(=O)c1ccccc1 WXVL_AK00595SD0001 [0,1,0,0,1,0|1,0,1]=4 314 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccn1 WXVL_AK1519SB0057 [0,1,0,0,1,0|1,0,1]=4 315 B14R1.29 C[C@@H](NC(=O)CC#N)c1ccccn1 WXVL_AK1519SB0057 [0,1,0,0,1,0|1,0,1]=4 316 B14R1.29 C[C@@H](NC(=O)CC#N)c1cccnc1 WXVL_AK00154SB0057 [0,1,0,0,1,0|1,0,1]=4 317 B14R1.29 C[C@@H](NC(=O)CC#N)c1cccnc1 WXVL_AK00154SB0057 [0,1,0,0,1,0|1,0,1]=4 318 B14R1.29 C[C@H](NC(=O)CC#N)c1ccccn1 WXVL_AK00388SB0057 [0,1,0,0,1,0|1,0,1]=4 319 B14R1.29 C[C@H](NC(=O)CC#N)c1ccccn1 WXVL_AK00388SB0057 [0,1,0,0,1,0|1,0,1]=4 320 B14R1.29 C[C@H](NC(=O)CC#N)c1cccnc1 WXVL_AK3888SB0057 [0,1,0,0,1,0|1,0,1]=4 321 B14R1.29 C[C@H](NC(=O)CC#N)c1cccnc1 WXVL_AK3888SB0057 [0,1,0,0,1,0|1,0,1]=4 322 B14R1.1035 Cc1ccccc1C(=O)NCCC#N WXVL_AK0087SD0037 [0,1,0,0,1,0|1,0,1]=4 323 B14R1.1035 Cc1ccccc1C(=O)NCCC#N WXVL_AK0087SD0037 [0,1,0,0,1,0|1,0,1]=4 324 B14R1.1035 N#CCCNC(=O)c1ccccc1Br WXVL_AK0087SD0002 [0,1,0,0,1,0|1,0,1]=4 325 B14R1.1035 N#CCCNC(=O)c1ccccc1Br WXVL_AK0087SD0002 [0,1,0,0,1,0|1,0,1]=4 326 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl WXVL_AK0087SD0006 [0,1,0,0,1,0|1,0,1]=4 327 B14R1.1035 N#CCCNC(=O)c1ccccc1Cl WXVL_AK0087SD0006 [0,1,0,0,1,0|1,0,1]=4 328 B14R1.1035 N#CCCNC(=O)c1ccccc1F WXVL_AK0087SD0003 [0,1,0,0,1,0|1,0,1]=4 329 B14R1.1035 N#CCCNC(=O)c1ccccc1F WXVL_AK0087SD0003 [0,1,0,0,1,0|1,0,1]=4 330 B14R1.1035 N#CCCNC(=O)c1ccccc1I WXVL_AK0087SD0303 [0,1,0,0,1,0|1,0,1]=4 331 B14R1.1035 N#CCCNC(=O)c1ccccc1I WXVL_AK0087SD0303 [0,1,0,0,1,0|1,0,1]=4 332 B14R1.1035 N#CCCNC(=O)c1ccccc1O WXVL_AK0087SD00056 [0,1,0,0,1,0|1,0,1]=4 333 B14R1.1035 N#CCCNC(=O)c1ccccc1O WXVL_AK0087SD00056 [0,1,0,0,1,0|1,0,1]=4 334 B14R1.1035 N#CCCNC(=O)c1ccccc1S WXVL_AK0087SD0153 [0,1,0,0,1,0|1,0,1]=4 335 B14R1.1035 N#CCCNC(=O)c1ccccc1S WXVL_AK0087SD0153 [0,1,0,0,1,0|1,0,1]=4 336 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0419 [0,1,0,0,0,1|1,0,1]=4 337 B16R1.35 CC(CC(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0419 [0,1,0,0,0,1|1,0,1]=4 338 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 WXVL_AK0087YV0061 [0,1,0,0,0,1|1,0,1]=4 339 B16R1.35 C[C@@H](NC(=O)NCCC#N)c1ccccc1 WXVL_AK0087YV0061 [0,1,0,0,0,1|1,0,1]=4 340 B16R1.35 C[C@H](NC(=O)NCCC#N)c1ccccc1 WXVL_AK0087YV0029 [0,1,0,0,0,1|1,0,1]=4 341 B16R1.35 C[C@H](NC(=O)NCCC#N)c1ccccc1 WXVL_AK0087YV0029 [0,1,0,0,0,1|1,0,1]=4 342 B16R1.35 N#CCCNC(=O)CC(O)c1ccccc1 WXVL_AK0087SB2325 [0,1,0,0,0,1|1,0,1]=4 343 B16R1.35 N#CCCNC(=O)CC(O)c1ccccc1 WXVL_AK0087SB2325 [0,1,0,0,0,1|1,0,1]=4 344 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N WXVL_AK0087SB0421 [0,1,0,0,0,1|1,0,1]=4 345 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCC#N WXVL_AK0087SB0421 [0,1,0,0,0,1|1,0,1]=4 346 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N WXVL_AK0087YV0067 [0,1,0,0,0,1|1,0,1]=4 347 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCC#N WXVL_AK0087YV0067 [0,1,0,0,0,1|1,0,1]=4 348 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N WXVL_AK0087SB0138 [0,1,0,0,0,1|1,0,1]=4 349 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCC#N WXVL_AK0087SB0138 [0,1,0,0,0,1|1,0,1]=4 350 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N WXVL_AK0087SB0830 [0,1,0,0,0,1|1,0,1]=4 351 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCC#N WXVL_AK0087SB0830 [0,1,0,0,0,1|1,0,1]=4 352 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br WXVL_AK0087SB1166 [0,1,0,0,0,1|1,0,1]=4 353 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)Br WXVL_AK0087SB1166 [0,1,0,0,0,1|1,0,1]=4 354 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F WXVL_AK0087SB1123 [0,1,0,0,0,1|1,0,1]=4 355 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)F WXVL_AK0087SB1123 [0,1,0,0,0,1|1,0,1]=4 356 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)O WXVL_AK0087SB2324 [0,1,0,0,0,1|1,0,1]=4 357 B16R1.51 N#CCCNC(=O)CCc1ccc(cc1)O WXVL_AK0087SB2324 [0,1,0,0,0,1|1,0,1]=4 358 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F WXVL_AK0087SB0088 [0,1,0,0,0,1|1,0,1]=4 359 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)F WXVL_AK0087SB0088 [0,1,0,0,0,1|1,0,1]=4 360 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)O WXVL_AK0087SB3388 [0,1,0,0,0,1|1,0,1]=4 361 B16R1.51 N#CCCNC(=O)COc1ccc(cc1)O WXVL_AK0087SB3388 [0,1,0,0,0,1|1,0,1]=4 362 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N WXVL_AK0087SB1394 [0,1,0,0,0,1|1,0,1]=4 363 B16R1.52 Cc1cccc(c1)CCC(=O)NCCC#N WXVL_AK0087SB1394 [0,1,0,0,0,1|1,0,1]=4 364 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N WXVL_AK0087YV0178 [0,1,0,0,0,1|1,0,1]=4 365 B16R1.52 Cc1cccc(c1)CNC(=O)NCCC#N WXVL_AK0087YV0178 [0,1,0,0,0,1|1,0,1]=4 366 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br WXVL_AK0087SB0278 [0,1,0,0,0,1|1,0,1]=4 367 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)Br WXVL_AK0087SB0278 [0,1,0,0,0,1|1,0,1]=4 368 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)O WXVL_AK0087SB3088 [0,1,0,0,0,1|1,0,1]=4 369 B16R1.52 N#CCCNC(=O)CCc1cccc(c1)O WXVL_AK0087SB3088 [0,1,0,0,0,1|1,0,1]=4 370 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl WXVL_AK0087SB0493 [0,1,0,0,0,1|1,0,1]=4 371 B16R1.52 N#CCCNC(=O)COc1cccc(c1)Cl WXVL_AK0087SB0493 [0,1,0,0,0,1|1,0,1]=4 372 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F WXVL_AK0087YV0073 [0,1,0,0,0,1|1,0,1]=4 373 B16R1.52 N#CCCNC(=O)NCc1cccc(c1)F WXVL_AK0087YV0073 [0,1,0,0,0,1|1,0,1]=4 374 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB0413 [0,1,0,0,0,1|1,0,1]=4 375 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB0413 [0,1,0,0,0,1|1,0,1]=4 376 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB3205 [0,1,0,0,0,1|1,0,1]=4 377 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB3205 [0,1,0,0,0,1|1,0,1]=4 378 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB0426 [0,1,0,0,0,1|1,0,1]=4 379 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB0426 [0,1,0,0,0,1|1,0,1]=4 380 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB9992 [0,1,0,0,0,1|1,0,1]=4 381 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB9992 [0,1,0,0,0,1|1,0,1]=4 382 B16R1.1216 C[C@@H](Oc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB5803 [0,1,0,0,0,1|1,0,1]=4 383 B16R1.1216 C[C@@H](Oc1ccccc1)C(=O)NCCC#N WXVL_AK0087SB5803 [0,1,0,0,0,1|1,0,1]=4 384 B16R1.1570 C[C@@H](CC#N)NC(=O)CCc1ccccc1 WXVL_AK00595SB0067 [0,1,0,0,0,1|1,0,1]=4 385 B16R1.1570 C[C@@H](CC#N)NC(=O)CCc1ccccc1 WXVL_AK00595SB0067 [0,1,0,0,0,1|1,0,1]=4 386 B16R1.1570 C[C@@H](CC#N)NC(=O)COc1ccccc1 WXVL_AK00595SB0086 [0,1,0,0,0,1|1,0,1]=4 387 B16R1.1570 C[C@@H](CC#N)NC(=O)COc1ccccc1 WXVL_AK00595SB0086 [0,1,0,0,0,1|1,0,1]=4 388 B16R1.1570 C[C@@H](CC#N)NC(=O)CSc1ccccc1 WXVL_AK00595SB0113 [0,1,0,0,0,1|1,0,1]=4 389 B16R1.1570 C[C@@H](CC#N)NC(=O)CSc1ccccc1 WXVL_AK00595SB0113 [0,1,0,0,0,1|1,0,1]=4 390 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N WXVL_AK0087SB0422 [0,1,0,0,0,1|1,0,1]=4 391 B16R1.1696 Cc1ccccc1CCC(=O)NCCC#N WXVL_AK0087SB0422 [0,1,0,0,0,1|1,0,1]=4 392 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N WXVL_AK0087SB0136 [0,1,0,0,0,1|1,0,1]=4 393 B16R1.1696 Cc1ccccc1OCC(=O)NCCC#N WXVL_AK0087SB0136 [0,1,0,0,0,1|1,0,1]=4 394 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br WXVL_AK0087SB1278 [0,1,0,0,0,1|1,0,1]=4 395 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Br WXVL_AK0087SB1278 [0,1,0,0,0,1|1,0,1]=4 396 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl WXVL_AK0087SB0140 [0,1,0,0,0,1|1,0,1]=4 397 B16R1.1696 N#CCCNC(=O)CCc1ccccc1Cl WXVL_AK0087SB0140 [0,1,0,0,0,1|1,0,1]=4 398 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F WXVL_AK0087SB0008 [0,1,0,0,0,1|1,0,1]=4 399 B16R1.1696 N#CCCNC(=O)CCc1ccccc1F WXVL_AK0087SB0008 [0,1,0,0,0,1|1,0,1]=4 400 B16R1.1696 N#CCCNC(=O)COc1ccccc1F WXVL_AK0087SB0441 [0,1,0,0,0,1|1,0,1]=4 401 B16R1.1696 N#CCCNC(=O)COc1ccccc1F WXVL_AK0087SB0441 [0,1,0,0,0,1|1,0,1]=4 402 B16R1.20527 N#CCCNS(=O)(=O)CCc1ccccc1 WXVL_AK0087HU0137 [0,1,0,0,0,1|2,0,0]=4 403 B16R1.20527 N#CCCNS(=O)(=O)CCc1ccccc1 WXVL_AK0087HU0137 [0,1,0,0,0,1|2,0,0]=4 404 B16R1.934 N#CCC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0057 [0,2,0,0,0,0|1,0,1]=4 405 B16R1.934 N#CCC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0057 [0,2,0,0,0,0|1,0,1]=4 406 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl WXVL_AK0087SB0484 [0,2,0,0,0,0|1,0,1]=4 407 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)Cl WXVL_AK0087SB0484 [0,2,0,0,0,0|1,0,1]=4 408 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)O WXVL_AK0087SB5200 [0,2,0,0,0,0|1,0,1]=4 409 B16R1.61 CC(C(=O)NCCC#N)c1ccc(cc1)O WXVL_AK0087SB5200 [0,2,0,0,0,0|1,0,1]=4 410 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N WXVL_AK0087SB0423 [0,2,0,0,0,0|1,0,1]=4 411 B16R1.61 Cc1ccc(cc1)C(C)C(=O)NCCC#N WXVL_AK0087SB0423 [0,2,0,0,0,0|1,0,1]=4 412 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)Br WXVL_AK0087SA00095 [0,2,0,0,0,0|1,0,1]=4 413 B16R1.62 N#CCCNC(=O)C(O)c1cccc(c1)Br WXVL_AK0087SA00095 [0,2,0,0,0,0|1,0,1]=4 414 B16R1.915 CC(C(=O)N[C@@H](C)CC#N)c1ccccc1 WXVL_AK00595SB2326 [0,2,0,0,0,0|1,0,1]=4 415 B16R1.915 CC(C(=O)N[C@@H](C)CC#N)c1ccccc1 WXVL_AK00595SB2326 [0,2,0,0,0,0|1,0,1]=4 416 B16R1.915 C[C@@H](CC#N)NC(=O)C(O)c1ccccc1 WXVL_AK00595SB0168 [0,2,0,0,0,0|1,0,1]=4 417 B16R1.915 C[C@@H](CC#N)NC(=O)C(O)c1ccccc1 WXVL_AK00595SB0168 [0,2,0,0,0,0|1,0,1]=4 418 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0135 [0,2,0,0,0,0|1,0,1]=4 419 B16R1.1701 CC(C)(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0135 [0,2,0,0,0,0|1,0,1]=4 420 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 WXVL_AK0087SB1457 [0,2,0,0,0,0|1,0,1]=4 421 B16R1.1701 N#CCCNC(=O)C(F)(F)c1ccccc1 WXVL_AK0087SB1457 [0,2,0,0,0,0|1,0,1]=4 422 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0053 [0,2,0,0,0,0|1,0,1]=4 423 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0053 [0,2,0,0,0,0|1,0,1]=4 424 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0081 [0,2,0,0,0,0|1,0,1]=4 425 B16R1.1705 CO[C@@H](C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0081 [0,2,0,0,0,0|1,0,1]=4 426 B16R1.1705 N#CCCNC(=O)C(CO)c1ccccc1 WXVL_AK0087SB3228 [0,2,0,0,0,0|1,0,1]=4 427 B16R1.1705 N#CCCNC(=O)C(CO)c1ccccc1 WXVL_AK0087SB3228 [0,2,0,0,0,0|1,0,1]=4 428 B16R1.5684 N#CCCNC(=O)[C@H](O)c1ccccc1Cl WXVL_AK0087SB3309 [0,2,0,0,0,0|1,0,1]=4 429 B16R1.5684 N#CCCNC(=O)[C@H](O)c1ccccc1Cl WXVL_AK0087SB3309 [0,2,0,0,0,0|1,0,1]=4 430 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)NCC#N WXVL_AK0683SB0221 [0,2,0,0,0,0|2,0,0]=4 431 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)NCC#N WXVL_AK0683SB0221 [0,2,0,0,0,0|2,0,0]=4 432 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Br WXVL_AK00595SB0926 [0,2,0,0,0,0|1,0,1]=4 433 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Br WXVL_AK00595SB0926 [0,2,0,0,0,0|1,0,1]=4 434 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Cl WXVL_AK00595SB0107 [0,2,0,0,0,0|1,0,1]=4 435 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)Cl WXVL_AK00595SB0107 [0,2,0,0,0,0|1,0,1]=4 436 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)F WXVL_AK00595SB0106 [0,2,0,0,0,0|1,0,1]=4 437 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)F WXVL_AK00595SB0106 [0,2,0,0,0,0|1,0,1]=4 438 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)O WXVL_AK00595SB0110 [0,2,0,0,0,0|1,0,1]=4 439 B16R1.955 C[C@@H](CC#N)NC(=O)Cc1ccc(cc1)O WXVL_AK00595SB0110 [0,2,0,0,0,0|1,0,1]=4 440 B16R1.955 Cc1ccc(cc1)CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0112 [0,2,0,0,0,0|1,0,1]=4 441 B16R1.955 Cc1ccc(cc1)CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0112 [0,2,0,0,0,0|1,0,1]=4 442 B16R1.7382 COc1ccc(cc1)CC(=O)NCCC#N WXVL_AK0087SB0108 [0,2,0,0,0,0|1,0,1]=4 443 B16R1.7382 COc1ccc(cc1)CC(=O)NCCC#N WXVL_AK0087SB0108 [0,2,0,0,0,0|1,0,1]=4 444 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N WXVL_AK0087SB3213 [0,2,0,0,0,0|1,0,1]=4 445 B16R1.7382 CSc1ccc(cc1)CC(=O)NCCC#N WXVL_AK0087SB3213 [0,2,0,0,0,0|1,0,1]=4 446 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N WXVL_AK0087SB0205 [0,2,0,0,0,0|1,0,1]=4 447 B16R1.7382 N#CCCNC(=O)Cc1ccc(cc1)C#N WXVL_AK0087SB0205 [0,2,0,0,0,0|1,0,1]=4 448 B16R1.7393 Cc1ccc(cc1C)CC(=O)NCCC#N WXVL_AK0087SB1486 [0,2,0,0,0,0|1,0,1]=4 449 B16R1.7393 Cc1ccc(cc1C)CC(=O)NCCC#N WXVL_AK0087SB1486 [0,2,0,0,0,0|1,0,1]=4 450 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)F WXVL_AK0087SB1198 [0,2,0,0,0,0|1,0,1]=4 451 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Br)F WXVL_AK0087SB1198 [0,2,0,0,0,0|1,0,1]=4 452 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl WXVL_AK0087SB0102 [0,2,0,0,0,0|1,0,1]=4 453 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)Cl)Cl WXVL_AK0087SB0102 [0,2,0,0,0,0|1,0,1]=4 454 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Br WXVL_AK0087SB0282 [0,2,0,0,0,0|1,0,1]=4 455 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Br WXVL_AK0087SB0282 [0,2,0,0,0,0|1,0,1]=4 456 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl WXVL_AK0087SB0499 [0,2,0,0,0,0|1,0,1]=4 457 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)Cl WXVL_AK0087SB0499 [0,2,0,0,0,0|1,0,1]=4 458 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F WXVL_AK0087SB0131 [0,2,0,0,0,0|1,0,1]=4 459 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)F)F WXVL_AK0087SB0131 [0,2,0,0,0,0|1,0,1]=4 460 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)O WXVL_AK0087SB1141 [0,2,0,0,0,0|1,0,1]=4 461 B16R1.7393 N#CCCNC(=O)Cc1ccc(c(c1)O)O WXVL_AK0087SB1141 [0,2,0,0,0,0|1,0,1]=4 462 B16R1.20522 Cc1ccc(cc1)CS(=O)(=O)NCCC#N WXVL_AK0087HU0096 [0,2,0,0,0,0|2,0,0]=4 463 B16R1.20522 Cc1ccc(cc1)CS(=O)(=O)NCCC#N WXVL_AK0087HU0096 [0,2,0,0,0,0|2,0,0]=4 464 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)Br WXVL_AK0087HU0657 [0,2,0,0,0,0|2,0,0]=4 465 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)Br WXVL_AK0087HU0657 [0,2,0,0,0,0|2,0,0]=4 466 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)Cl WXVL_AK0087HU0094 [0,2,0,0,0,0|2,0,0]=4 467 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)Cl WXVL_AK0087HU0094 [0,2,0,0,0,0|2,0,0]=4 468 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)F WXVL_AK0087HU0095 [0,2,0,0,0,0|2,0,0]=4 469 B16R1.20522 N#CCCNS(=O)(=O)Cc1ccc(cc1)F WXVL_AK0087HU0095 [0,2,0,0,0,0|2,0,0]=4 470 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br WXVL_AK0087SB5365 [0,2,0,0,0,0|1,0,1]=4 471 B16R1.22955 Cc1cc(ccc1CC(=O)NCCC#N)Br WXVL_AK0087SB5365 [0,2,0,0,0,0|1,0,1]=4 472 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Br WXVL_AK0087SB4290 [0,2,0,0,0,0|1,0,1]=4 473 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)Br WXVL_AK0087SB4290 [0,2,0,0,0,0|1,0,1]=4 474 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F WXVL_AK0087SB1181 [0,2,0,0,0,0|1,0,1]=4 475 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Br)F WXVL_AK0087SB1181 [0,2,0,0,0,0|1,0,1]=4 476 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br WXVL_AK0087SB2522 [0,2,0,0,0,0|1,0,1]=4 477 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)Br WXVL_AK0087SB2522 [0,2,0,0,0,0|1,0,1]=4 478 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F WXVL_AK0087SB1409 [0,2,0,0,0,0|1,0,1]=4 479 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1Cl)F WXVL_AK0087SB1409 [0,2,0,0,0,0|1,0,1]=4 480 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br WXVL_AK0087SB0280 [0,2,0,0,0,0|1,0,1]=4 481 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Br WXVL_AK0087SB0280 [0,2,0,0,0,0|1,0,1]=4 482 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl WXVL_AK0087SB1401 [0,2,0,0,0,0|1,0,1]=4 483 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)Cl WXVL_AK0087SB1401 [0,2,0,0,0,0|1,0,1]=4 484 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F WXVL_AK0087SB0445 [0,2,0,0,0,0|1,0,1]=4 485 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1F)F WXVL_AK0087SB0445 [0,2,0,0,0,0|1,0,1]=4 486 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1I)Br WXVL_AK0087SA00082 [0,2,0,0,0,0|1,0,1]=4 487 B16R1.22955 N#CCCNC(=O)Cc1ccc(cc1I)Br WXVL_AK0087SA00082 [0,2,0,0,0,0|1,0,1]=4 488 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br WXVL_AK0087SB2348 [0,2,0,0,0,0|1,0,1]=4 489 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Br WXVL_AK0087SB2348 [0,2,0,0,0,0|1,0,1]=4 490 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl WXVL_AK0087SB1338 [0,2,0,0,0,0|1,0,1]=4 491 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)Cl WXVL_AK0087SB1338 [0,2,0,0,0,0|1,0,1]=4 492 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F WXVL_AK0087SB0446 [0,2,0,0,0,0|1,0,1]=4 493 B16R1.88 N#CCCNC(=O)Cc1cccc(c1F)F WXVL_AK0087SB0446 [0,2,0,0,0,0|1,0,1]=4 494 B16R1.659 CC(Cc1cccc(c1)Br)C(=O)NCC#N WXVL_AK0683SB6322 [0,2,0,0,0,0|2,0,0]=4 495 B16R1.659 CC(Cc1cccc(c1)Br)C(=O)NCC#N WXVL_AK0683SB6322 [0,2,0,0,0,0|2,0,0]=4 496 B16R1.956 C#CCC(=O)NC(C)Cc1cccc(c1)Br WXVL_AK4310SB3070 [0,2,0,0,0,0|1,0,1]=4 497 B16R1.956 C#CCC(=O)NC(C)Cc1cccc(c1)Br WXVL_AK4310SB3070 [0,2,0,0,0,0|1,0,1]=4 498 B16R1.956 CC(Cc1cccc(c1)Br)NC(=O)CC#N WXVL_AK4310SB0057 [0,2,0,0,0,0|0,0,1]=3 499 B16R1.956 CC(Cc1cccc(c1)Br)NC(=O)CC#N WXVL_AK4310SB0057 [0,2,0,0,0,0|0,0,1]=3 500 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Br WXVL_AK00595SB0099 [0,2,0,0,0,0|1,0,1]=4 501 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Br WXVL_AK00595SB0099 [0,2,0,0,0,0|1,0,1]=4 502 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl WXVL_AK00595SB0101 [0,2,0,0,0,0|1,0,1]=4 503 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)Cl WXVL_AK00595SB0101 [0,2,0,0,0,0|1,0,1]=4 504 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)F WXVL_AK00595SB0100 [0,2,0,0,0,0|1,0,1]=4 505 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)F WXVL_AK00595SB0100 [0,2,0,0,0,0|1,0,1]=4 506 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)O WXVL_AK00595SB0104 [0,2,0,0,0,0|1,0,1]=4 507 B16R1.956 C[C@@H](CC#N)NC(=O)Cc1cccc(c1)O WXVL_AK00595SB0104 [0,2,0,0,0,0|1,0,1]=4 508 B16R1.956 Cc1cccc(c1)CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0105 [0,2,0,0,0,0|1,0,1]=4 509 B16R1.956 Cc1cccc(c1)CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0105 [0,2,0,0,0,0|1,0,1]=4 510 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C WXVL_AK0087SB0420 [0,2,0,0,0,0|1,0,1]=4 511 B16R1.7379 Cc1ccc(c(c1)CC(=O)NCCC#N)C WXVL_AK0087SB0420 [0,2,0,0,0,0|1,0,1]=4 512 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br WXVL_AK0087SB2430 [0,2,0,0,0,0|1,0,1]=4 513 B16R1.7379 Cc1ccc(cc1CC(=O)NCCC#N)Br WXVL_AK0087SB2430 [0,2,0,0,0,0|1,0,1]=4 514 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Br WXVL_AK0087SB2266 [0,2,0,0,0,0|1,0,1]=4 515 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Br WXVL_AK0087SB2266 [0,2,0,0,0,0|1,0,1]=4 516 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl WXVL_AK0087SB0306 [0,2,0,0,0,0|1,0,1]=4 517 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)Cl WXVL_AK0087SB0306 [0,2,0,0,0,0|1,0,1]=4 518 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F WXVL_AK0087SB1418 [0,2,0,0,0,0|1,0,1]=4 519 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Br)F WXVL_AK0087SB1418 [0,2,0,0,0,0|1,0,1]=4 520 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br WXVL_AK0087SB0308 [0,2,0,0,0,0|1,0,1]=4 521 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Br WXVL_AK0087SB0308 [0,2,0,0,0,0|1,0,1]=4 522 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl WXVL_AK0087SB0783 [0,2,0,0,0,0|1,0,1]=4 523 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)Cl WXVL_AK0087SB0783 [0,2,0,0,0,0|1,0,1]=4 524 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F WXVL_AK0087SB1408 [0,2,0,0,0,0|1,0,1]=4 525 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1Cl)F WXVL_AK0087SB1408 [0,2,0,0,0,0|1,0,1]=4 526 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F WXVL_AK0087SB2104 [0,2,0,0,0,0|1,0,1]=4 527 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1F)F WXVL_AK0087SB2104 [0,2,0,0,0,0|1,0,1]=4 528 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)Br WXVL_AK0087SB4784 [0,2,0,0,0,0|1,0,1]=4 529 B16R1.7379 N#CCCNC(=O)Cc1cc(ccc1O)Br WXVL_AK0087SB4784 [0,2,0,0,0,0|1,0,1]=4 530 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)C WXVL_AK0087SB2245 [0,2,0,0,0,0|1,0,1]=4 531 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)C WXVL_AK0087SB2245 [0,2,0,0,0,0|1,0,1]=4 532 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F WXVL_AK0087SB3033 [0,2,0,0,0,0|1,0,1]=4 533 B16R1.7381 Cc1cc(cc(c1)CC(=O)NCCC#N)F WXVL_AK0087SB3033 [0,2,0,0,0,0|1,0,1]=4 534 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br WXVL_AK0087SB2486 [0,2,0,0,0,0|1,0,1]=4 535 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Br)Br WXVL_AK0087SB2486 [0,2,0,0,0,0|1,0,1]=4 536 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F WXVL_AK0087SB2384 [0,2,0,0,0,0|1,0,1]=4 537 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)Cl)F WXVL_AK0087SB2384 [0,2,0,0,0,0|1,0,1]=4 538 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F WXVL_AK0087SA0023 [0,2,0,0,0,0|1,0,1]=4 539 B16R1.7381 N#CCCNC(=O)Cc1cc(cc(c1)F)F WXVL_AK0087SA0023 [0,2,0,0,0,0|1,0,1]=4 540 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N WXVL_AK0087SB0103 [0,2,0,0,0,0|1,0,1]=4 541 B16R1.7389 COc1cccc(c1)CC(=O)NCCC#N WXVL_AK0087SB0103 [0,2,0,0,0,0|1,0,1]=4 542 B16R1.7389 CSc1cccc(c1)CC(=O)NCCC#N WXVL_AK0087SB5356 [0,2,0,0,0,0|1,0,1]=4 543 B16R1.7389 CSc1cccc(c1)CC(=O)NCCC#N WXVL_AK0087SB5356 [0,2,0,0,0,0|1,0,1]=4 544 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N WXVL_AK0087SB3619 [0,2,0,0,0,0|1,0,1]=4 545 B16R1.7389 N#CCCNC(=O)Cc1cccc(c1)C#N WXVL_AK0087SB3619 [0,2,0,0,0,0|1,0,1]=4 546 B16R1.20523 Cc1cccc(c1)CS(=O)(=O)NCCC#N WXVL_AK0087HU0138 [0,2,0,0,0,0|2,0,0]=4 547 B16R1.20523 Cc1cccc(c1)CS(=O)(=O)NCCC#N WXVL_AK0087HU0138 [0,2,0,0,0,0|2,0,0]=4 548 B16R1.20523 N#CCCNS(=O)(=O)Cc1cccc(c1)Cl WXVL_AK0087HU0242 [0,2,0,0,0,0|2,0,0]=4 549 B16R1.20523 N#CCCNS(=O)(=O)Cc1cccc(c1)Cl WXVL_AK0087HU0242 [0,2,0,0,0,0|2,0,0]=4 550 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB3205 [0,2,0,0,0,0|2,0,0]=4 551 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CC#N WXVL_AN2942SB3205 [0,2,0,0,0,0|2,0,0]=4 552 B16R1.1127 CC(C#N)NC(=O)C(C)Cc1ccccc1 WXVL_AK00810SB3205 [0,2,0,0,0,0|2,0,0]=4 553 B16R1.1127 CC(C#N)NC(=O)C(C)Cc1ccccc1 WXVL_AK00810SB3205 [0,2,0,0,0,0|2,0,0]=4 554 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)NCC#N WXVL_AK0683SB3630 [0,2,0,0,0,0|2,0,0]=4 555 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)NCC#N WXVL_AK0683SB3630 [0,2,0,0,0,0|2,0,0]=4 556 B16R1.936 C#CCC(=O)N[C@H](CO)Cc1ccccc1 WXVL_AK00517SB3070 [0,2,0,0,0,0|1,0,1]=4 557 B16R1.936 C#CCC(=O)N[C@H](CO)Cc1ccccc1 WXVL_AK00517SB3070 [0,2,0,0,0,0|1,0,1]=4 558 B16R1.936 N#CCC(=O)N[C@H](CO)Cc1ccccc1 WXVL_AK00517SB0057 [0,2,0,0,0,0|0,0,1]=3 559 B16R1.936 N#CCC(=O)N[C@H](CO)Cc1ccccc1 WXVL_AK00517SB0057 [0,2,0,0,0,0|0,0,1]=3 560 B16R1.2180 C[C@@H](CC#N)NS(=O)(=O)Cc1ccccc1 WXVL_AK00595HU0025 [0,2,0,0,0,0|2,0,0]=4 561 B16R1.2180 C[C@@H](CC#N)NS(=O)(=O)Cc1ccccc1 WXVL_AK00595HU0025 [0,2,0,0,0,0|2,0,0]=4 562 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Br WXVL_AK00595SB0093 [0,2,0,0,0,0|1,0,1]=4 563 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Br WXVL_AK00595SB0093 [0,2,0,0,0,0|1,0,1]=4 564 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Cl WXVL_AK00595SB0095 [0,2,0,0,0,0|1,0,1]=4 565 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1Cl WXVL_AK00595SB0095 [0,2,0,0,0,0|1,0,1]=4 566 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F WXVL_AK00595SB0094 [0,2,0,0,0,0|1,0,1]=4 567 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1F WXVL_AK00595SB0094 [0,2,0,0,0,0|1,0,1]=4 568 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1I WXVL_AK00595SB1145 [0,2,0,0,0,0|1,0,1]=4 569 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1I WXVL_AK00595SB1145 [0,2,0,0,0,0|1,0,1]=4 570 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1O WXVL_AK00595SB0400 [0,2,0,0,0,0|1,0,1]=4 571 B16R1.4235 C[C@@H](CC#N)NC(=O)Cc1ccccc1O WXVL_AK00595SB0400 [0,2,0,0,0,0|1,0,1]=4 572 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0098 [0,2,0,0,0,0|1,0,1]=4 573 B16R1.4235 Cc1ccccc1CC(=O)N[C@@H](C)CC#N WXVL_AK00595SB0098 [0,2,0,0,0,0|1,0,1]=4 574 B16R1.7391 COc1ccccc1CC(=O)NCCC#N WXVL_AK0087SB0427 [0,2,0,0,0,0|1,0,1]=4 575 B16R1.7391 COc1ccccc1CC(=O)NCCC#N WXVL_AK0087SB0427 [0,2,0,0,0,0|1,0,1]=4 576 B16R1.7391 N#CCCNC(=O)Cc1ccccc1C#N WXVL_AK0087SB3111 [0,2,0,0,0,0|1,0,1]=4 577 B16R1.7391 N#CCCNC(=O)Cc1ccccc1C#N WXVL_AK0087SB3111 [0,2,0,0,0,0|1,0,1]=4 578 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl WXVL_AK0087SB1287 [0,2,0,0,0,0|1,0,1]=4 579 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)Cl WXVL_AK0087SB1287 [0,2,0,0,0,0|1,0,1]=4 580 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F WXVL_AK0087SB0498 [0,2,0,0,0,0|1,0,1]=4 581 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1Cl)F WXVL_AK0087SB0498 [0,2,0,0,0,0|1,0,1]=4 582 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F WXVL_AK0087SD0088 [0,2,0,0,0,0|1,0,1]=4 583 B16R1.22096 N#CCCNC(=O)Cc1c(cccc1F)F WXVL_AK0087SD0088 [0,2,0,0,0,0|1,0,1]=4 584 B16R2.2114 N#CCNC(=O)C1CC1c2ccccc2 WXVL_AK0683SB2474 [0,1,0,1,0,0|2,0,0]=4 585 B16R2.2114 N#CCNC(=O)C1CC1c2ccccc2 WXVL_AK0683SB2474 [0,1,0,1,0,0|2,0,0]=4 586 B16R2.2114 N#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK0683SB3176 [0,1,0,1,0,0|2,0,0]=4 587 B16R2.2114 N#CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK0683SB3176 [0,1,0,1,0,0|2,0,0]=4 588 B12R1.30 N#CCNC(=O)c1ccccc1 WXVL_AK0683SD0001 [1,0,0,0,1,0|1,0,1]=4 589 B12R1.30 N#CCNC(=O)c1ccccc1 WXVL_AK0683SD0001 [1,0,0,0,1,0|1,0,1]=4 590 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 WXVL_AK0087SB0121 [0,0,0,0,0,2|1,0,1]=4 591 B16R1.1694 N#CCCNC(=O)CCCc1ccccc1 WXVL_AK0087SB0121 [0,0,0,0,0,2|1,0,1]=4 592 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 WXVL_AK0087SB0066 [0,0,0,0,0,2|1,0,1]=4 593 B16R1.1694 N#CCCNC(=O)CCOc1ccccc1 WXVL_AK0087SB0066 [0,0,0,0,0,2|1,0,1]=4 594 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 WXVL_AK0087SB0185 [0,0,0,0,0,2|1,0,1]=4 595 B16R1.1694 N#CCCNC(=O)COCc1ccccc1 WXVL_AK0087SB0185 [0,0,0,0,0,2|1,0,1]=4