0 B14R1.716 C#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.716 C#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.716 CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0064 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.716 CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0064 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.716 CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0064 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.716 CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0064 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.716 CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0064 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.716 CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0064 [0,0,0,0,0,0|2,0,2]=4 10 B14R1.716 CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0064 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.716 CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0064 [0,0,0,0,0,0|2,0,1]=3 12 B14R1.716 CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0064 [0,0,0,0,0,0|2,0,1]=3 13 B14R1.716 CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0064 [0,0,0,0,0,0|2,0,1]=3 14 B14R1.716 CCC(=O)NCCOc1ccccn1 WXVL_AK2654SB0064 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.716 CCC(=O)NCCOc1ccccn1 WXVL_AK2654SB0064 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.716 CCC(=O)NCCOc1cccnc1 WXVL_AK2245SB0064 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.716 CCC(=O)NCCOc1cccnc1 WXVL_AK2245SB0064 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.716 CCC(=O)NCCOc1ccncc1 WXVL_AK00818SB0064 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.716 CCC(=O)NCCOc1ccncc1 WXVL_AK00818SB0064 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,0,0,0,0,0|2,0,2]=4 21 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,0,0,0,0,0|2,0,0]=2 23 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,0,0,0,0,0|2,0,0]=2 24 B14R1.716 O=C(CO)NCCCc1ccccc1 WXVL_AK0074SB2706 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.716 O=C(CO)NCCCc1ccccc1 WXVL_AK0074SB2706 [0,0,0,0,0,0|2,0,2]=4 26 B14R1.716 O=C(CO)NCCNc1ccccc1 WXVL_AK2478SB2706 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.716 O=C(CO)NCCNc1ccccc1 WXVL_AK2478SB2706 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.716 O=C(CO)NCCOc1ccccc1 WXVL_AK0103SB2706 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.716 O=C(CO)NCCOc1ccccc1 WXVL_AK0103SB2706 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [1,0,0,0,0,0|1,0,0]=2 31 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [1,0,0,0,0,0|1,0,0]=2 32 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [1,0,0,0,0,0|1,0,2]=4 33 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.337 CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0150 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.337 CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0150 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.337 CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0150 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.337 CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0150 [1,0,0,0,0,0|2,0,1]=4 38 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C WXVL_AK7560SB0064 [0,1,0,0,0,0|2,0,1]=4 39 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C WXVL_AK7560SB0064 [0,1,0,0,0,0|2,0,1]=4 40 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl WXVL_AK0501SB0064 [0,1,0,0,0,0|2,0,1]=4 41 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl WXVL_AK0501SB0064 [0,1,0,0,0,0|2,0,1]=4 42 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F WXVL_AK0979SB0064 [0,1,0,0,0,0|2,0,1]=4 43 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F WXVL_AK0979SB0064 [0,1,0,0,0,0|2,0,1]=4 44 B15R1.315 CCS(=O)(=O)NC/C=C/c1ccccc1 WXVL_AK00073HU0028 [0,1,0,0,0,0|2,0,0]=3 45 B15R1.315 CCS(=O)(=O)NC/C=C/c1ccccc1 WXVL_AK00073HU0028 [0,1,0,0,0,0|2,0,0]=3 46 B15R1.778 C#CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB3070 [0,1,0,0,0,0|1,0,1]=3 47 B15R1.778 C#CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB3070 [0,1,0,0,0,0|1,0,1]=3 48 B15R1.778 C/C=C/C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0340 [0,1,0,0,0,0|1,0,1]=3 49 B15R1.778 C/C=C/C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0340 [0,1,0,0,0,0|1,0,1]=3 50 B15R1.778 C=CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB2732 [0,1,0,0,0,0|1,0,1]=3 51 B15R1.778 C=CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB2732 [0,1,0,0,0,0|1,0,1]=3 52 B15R1.778 CC#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1240 [0,1,0,0,0,0|1,0,1]=3 53 B15R1.778 CC#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1240 [0,1,0,0,0,0|1,0,1]=3 54 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0073 [0,1,0,0,0,0|1,0,0]=2 55 B15R1.778 CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0073 [0,1,0,0,0,0|1,0,0]=2 56 B15R1.778 CCCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0073 [0,1,0,0,0,0|1,0,2]=4 57 B15R1.778 CCCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0073 [0,1,0,0,0,0|1,0,2]=4 58 B15R1.778 CCCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0073 [0,1,0,0,0,0|2,0,1]=4 59 B15R1.778 CCCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0073 [0,1,0,0,0,0|2,0,1]=4 60 B15R1.778 CCCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0073 [0,1,0,0,0,0|2,0,1]=4 61 B15R1.778 CCCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0073 [0,1,0,0,0,0|2,0,1]=4 62 B15R1.778 CCNC(=O)CCCCc1ccccc1 WXVL_AK00476SB0460 [0,1,0,0,0,0|1,0,2]=4 63 B15R1.778 CCNC(=O)CCCCc1ccccc1 WXVL_AK00476SB0460 [0,1,0,0,0,0|1,0,2]=4 64 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0090 [0,1,0,0,0,0|1,0,0]=2 65 B15R1.778 COCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0090 [0,1,0,0,0,0|1,0,0]=2 66 B15R1.778 COCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0090 [0,1,0,0,0,0|1,0,2]=4 67 B15R1.778 COCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0090 [0,1,0,0,0,0|1,0,2]=4 68 B15R1.778 COCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0090 [0,1,0,0,0,0|2,0,1]=4 69 B15R1.778 COCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0090 [0,1,0,0,0,0|2,0,1]=4 70 B15R1.778 COCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0090 [0,1,0,0,0,0|2,0,1]=4 71 B15R1.778 COCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0090 [0,1,0,0,0,0|2,0,1]=4 72 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1267 [0,1,0,0,0,0|1,0,0]=2 73 B15R1.778 CSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1267 [0,1,0,0,0,0|1,0,0]=2 74 B15R1.778 CSCC(=O)NCCCc1ccccc1 WXVL_AK0074SB1267 [0,1,0,0,0,0|1,0,2]=4 75 B15R1.778 CSCC(=O)NCCCc1ccccc1 WXVL_AK0074SB1267 [0,1,0,0,0,0|1,0,2]=4 76 B15R1.778 CSCC(=O)NCCNc1ccccc1 WXVL_AK2478SB1267 [0,1,0,0,0,0|2,0,1]=4 77 B15R1.778 CSCC(=O)NCCNc1ccccc1 WXVL_AK2478SB1267 [0,1,0,0,0,0|2,0,1]=4 78 B15R1.778 CSCC(=O)NCCOc1ccccc1 WXVL_AK0103SB1267 [0,1,0,0,0,0|2,0,1]=4 79 B15R1.778 CSCC(=O)NCCOc1ccccc1 WXVL_AK0103SB1267 [0,1,0,0,0,0|2,0,1]=4 80 B15R1.778 N#CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0057 [0,1,0,0,0,0|1,0,1]=3 81 B15R1.778 N#CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0057 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br WXVL_AK0441SB0064 [0,1,0,0,0,0|2,0,1]=4 83 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br WXVL_AK0441SB0064 [0,1,0,0,0,0|2,0,1]=4 84 B15R1.942 CCC(=O)NCCOc1cccc(c1)F WXVL_AK2572SB0064 [0,1,0,0,0,0|2,0,1]=4 85 B15R1.942 CCC(=O)NCCOc1cccc(c1)F WXVL_AK2572SB0064 [0,1,0,0,0,0|2,0,1]=4 86 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 WXVL_AK00706SB0064 [0,1,0,0,0,0|2,0,1]=4 87 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 WXVL_AK00706SB0064 [0,1,0,0,0,0|2,0,1]=4 88 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 WXVL_AK00442SB2021 [0,1,0,0,0,0|3,0,0]=4 89 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 WXVL_AK00442SB2021 [0,1,0,0,0,0|3,0,0]=4 90 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0064 [0,1,0,0,0,0|2,0,0]=3 91 B15R1.964 CCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0064 [0,1,0,0,0,0|2,0,0]=3 92 B15R1.964 CCC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0064 [0,1,0,0,0,0|1,0,2]=4 93 B15R1.964 CCC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0064 [0,1,0,0,0,0|1,0,2]=4 94 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0069 [0,1,0,0,0,0|3,0,0]=4 95 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0069 [0,1,0,0,0,0|3,0,0]=4 96 B15R1.964 O=C(CO)NCC(=O)Nc1ccccc1 WXVL_AK2641SB2706 [0,1,0,0,0,0|3,0,0]=4 97 B15R1.964 O=C(CO)NCC(=O)Nc1ccccc1 WXVL_AK2641SB2706 [0,1,0,0,0,0|3,0,0]=4 98 B15R1.1091 CCC(=O)NCCOc1ccccc1C WXVL_AK1111SB0064 [0,1,0,0,0,0|2,0,1]=4 99 B15R1.1091 CCC(=O)NCCOc1ccccc1C WXVL_AK1111SB0064 [0,1,0,0,0,0|2,0,1]=4 100 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl WXVL_AK0815SB0064 [0,1,0,0,0,0|2,0,1]=4 101 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl WXVL_AK0815SB0064 [0,1,0,0,0,0|2,0,1]=4 102 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0064 [0,1,0,0,0,0|1,0,2]=4 103 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0064 [0,1,0,0,0,0|1,0,2]=4 104 B15R1.3664 C=C(F)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1376 [0,1,0,0,0,0|1,0,2]=4 105 B15R1.3664 C=C(F)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1376 [0,1,0,0,0,0|1,0,2]=4 106 B15R1.3664 CC(=O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0051 [0,1,0,0,0,0|1,0,1]=3 107 B15R1.3664 CC(=O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0051 [0,1,0,0,0,0|1,0,1]=3 108 B15R1.3664 CC(C)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0052 [0,1,0,0,0,0|1,0,0]=2 109 B15R1.3664 CC(C)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0052 [0,1,0,0,0,0|1,0,0]=2 110 B15R1.3664 CC(C)C(=O)NCCCc1ccccc1 WXVL_AK0074SB0052 [0,1,0,0,0,0|1,0,2]=4 111 B15R1.3664 CC(C)C(=O)NCCCc1ccccc1 WXVL_AK0074SB0052 [0,1,0,0,0,0|1,0,2]=4 112 B15R1.3664 CC(C)C(=O)NCCNc1ccccc1 WXVL_AK2478SB0052 [0,1,0,0,0,0|2,0,1]=4 113 B15R1.3664 CC(C)C(=O)NCCNc1ccccc1 WXVL_AK2478SB0052 [0,1,0,0,0,0|2,0,1]=4 114 B15R1.3664 CC(C)C(=O)NCCOc1ccccc1 WXVL_AK0103SB0052 [0,1,0,0,0,0|2,0,1]=4 115 B15R1.3664 CC(C)C(=O)NCCOc1ccccc1 WXVL_AK0103SB0052 [0,1,0,0,0,0|2,0,1]=4 116 B15R1.3664 CC(S)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB2708 [0,1,0,0,0,0|1,0,0]=2 117 B15R1.3664 CC(S)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB2708 [0,1,0,0,0,0|1,0,0]=2 118 B15R1.3664 CC(S)C(=O)NCCCc1ccccc1 WXVL_AK0074SB2708 [0,1,0,0,0,0|1,0,2]=4 119 B15R1.3664 CC(S)C(=O)NCCCc1ccccc1 WXVL_AK0074SB2708 [0,1,0,0,0,0|1,0,2]=4 120 B15R1.3664 CC(S)C(=O)NCCNc1ccccc1 WXVL_AK2478SB2708 [0,1,0,0,0,0|2,0,1]=4 121 B15R1.3664 CC(S)C(=O)NCCNc1ccccc1 WXVL_AK2478SB2708 [0,1,0,0,0,0|2,0,1]=4 122 B15R1.3664 CC(S)C(=O)NCCOc1ccccc1 WXVL_AK0103SB2708 [0,1,0,0,0,0|2,0,1]=4 123 B15R1.3664 CC(S)C(=O)NCCOc1ccccc1 WXVL_AK0103SB2708 [0,1,0,0,0,0|2,0,1]=4 124 B15R1.3664 C[C@@H](O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1085 [0,1,0,0,0,0|1,0,0]=2 125 B15R1.3664 C[C@@H](O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1085 [0,1,0,0,0,0|1,0,0]=2 126 B15R1.3664 C[C@@H](O)C(=O)NCCCc1ccccc1 WXVL_AK0074SB1085 [0,1,0,0,0,0|1,0,2]=4 127 B15R1.3664 C[C@@H](O)C(=O)NCCCc1ccccc1 WXVL_AK0074SB1085 [0,1,0,0,0,0|1,0,2]=4 128 B15R1.3664 C[C@@H](O)C(=O)NCCNc1ccccc1 WXVL_AK2478SB1085 [0,1,0,0,0,0|2,0,1]=4 129 B15R1.3664 C[C@@H](O)C(=O)NCCNc1ccccc1 WXVL_AK2478SB1085 [0,1,0,0,0,0|2,0,1]=4 130 B15R1.3664 C[C@@H](O)C(=O)NCCOc1ccccc1 WXVL_AK0103SB1085 [0,1,0,0,0,0|2,0,1]=4 131 B15R1.3664 C[C@@H](O)C(=O)NCCOc1ccccc1 WXVL_AK0103SB1085 [0,1,0,0,0,0|2,0,1]=4 132 B15R1.3664 NC(=O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0128 [0,1,0,0,0,0|2,0,1]=4 133 B15R1.3664 NC(=O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0128 [0,1,0,0,0,0|2,0,1]=4 134 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(F)F WXVL_AK00073SB0079 [0,1,0,0,0,0|2,0,0]=3 135 B15R1.3664 O=C(NC/C=C/c1ccccc1)C(F)F WXVL_AK00073SB0079 [0,1,0,0,0,0|2,0,0]=3 136 B15R2.4 CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0064 [0,0,0,1,0,0|1,0,2]=4 137 B15R2.4 CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0064 [0,0,0,1,0,0|1,0,2]=4 138 B15R2.4 CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0064 [0,0,0,1,0,0|2,0,1]=4 139 B15R2.4 CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0064 [0,0,0,1,0,0|2,0,1]=4 140 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0064 [0,0,0,1,0,0|1,0,2]=4 141 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0064 [0,0,0,1,0,0|1,0,2]=4 142 B15R2.4 CCC(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0064 [0,0,0,1,0,0|2,0,1]=4 143 B15R2.4 CCC(=O)Nc1c[nH]c2c1cccc2 WXVL_AF00227SB0064 [0,0,0,1,0,0|2,0,1]=4 144 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 WXVL_AK00442SB1466 [0,0,0,1,0,0|3,0,0]=4 145 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 WXVL_AK00442SB1466 [0,0,0,1,0,0|3,0,0]=4 146 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 WXVL_AN3661SB0064 [0,0,0,1,0,0|1,0,2]=4 147 B15R2.79765 CNC(=O)c1cccc2c1cccc2 WXVL_AK00442SE0011 [0,0,0,1,0,0|2,0,1]=4 148 B15R2.79765 CNC(=O)c1cccc2c1cccc2 WXVL_AK00442SE0011 [0,0,0,1,0,0|2,0,1]=4 149 B15R2.79765 CNC(=O)c1nccc2c1cccc2 WXVL_AK00442SE0008 [0,0,0,1,0,0|3,0,0]=4 150 B15R2.79765 CNC(=O)c1nccc2c1cccc2 WXVL_AK00442SE0008 [0,0,0,1,0,0|3,0,0]=4 151 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,0,0,0,1,0|1,0,1]=3 152 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,0,0,0,1,0|1,0,1]=3 153 B13R1.718 CCC(=O)NCCc1ccccn1 WXVL_AK0019SB0064 [0,0,0,0,1,0|2,0,1]=4 154 B13R1.718 CCC(=O)NCCc1ccccn1 WXVL_AK0019SB0064 [0,0,0,0,1,0|2,0,1]=4 155 B13R1.718 CCC(=O)NCCc1cccnc1 WXVL_AK00436SB0064 [0,0,0,0,1,0|2,0,1]=4 156 B13R1.718 CCC(=O)NCCc1cccnc1 WXVL_AK00436SB0064 [0,0,0,0,1,0|2,0,1]=4 157 B13R1.718 CCC(=O)NCCc1ccncc1 WXVL_AK0093SB0064 [0,0,0,0,1,0|2,0,1]=4 158 B13R1.718 CCC(=O)NCCc1ccncc1 WXVL_AK0093SB0064 [0,0,0,0,1,0|2,0,1]=4 159 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,0,0,0,1,0|1,0,2]=4 160 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,0,0,0,1,0|1,0,2]=4 161 B13R1.718 CNC(=O)CCOc1ccccc1 WXVL_AK00442SB0066 [0,0,0,0,1,0|2,0,1]=4 162 B13R1.718 CNC(=O)CCOc1ccccc1 WXVL_AK00442SB0066 [0,0,0,0,1,0|2,0,1]=4 163 B13R1.718 CNC(=O)COCc1ccccc1 WXVL_AK00442SB0185 [0,0,0,0,1,0|2,0,1]=4 164 B13R1.718 CNC(=O)COCc1ccccc1 WXVL_AK00442SB0185 [0,0,0,0,1,0|2,0,1]=4 165 B13R1.718 O=C(CO)NCCc1ccccc1 WXVL_AK00498SB2706 [0,0,0,0,1,0|2,0,1]=4 166 B13R1.718 O=C(CO)NCCc1ccccc1 WXVL_AK00498SB2706 [0,0,0,0,1,0|2,0,1]=4 167 B15R1.962 CCC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0064 [0,0,0,0,0,1|1,0,2]=4 168 B15R1.962 CCC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0064 [0,0,0,0,0,1|1,0,2]=4 169 B15R1.962 CCC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0064 [0,0,0,0,0,1|1,0,2]=4 170 B15R1.962 CCC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0064 [0,0,0,0,0,1|1,0,2]=4 171 B15R1.962 CCC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0064 [0,0,0,0,0,1|1,0,2]=4 172 B15R1.962 CCC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0064 [0,0,0,0,0,1|1,0,2]=4 173 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 WXVL_AG00183SB0349 [1,1,0,0,0,0|2,0,0]=4 174 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 WXVL_AG00183SB0349 [1,1,0,0,0,0|2,0,0]=4 175 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0072 [1,1,0,0,0,0|2,0,0]=4 176 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0072 [1,1,0,0,0,0|2,0,0]=4 177 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0357 [1,1,0,0,0,0|2,0,0]=4 178 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0357 [1,1,0,0,0,0|2,0,0]=4 179 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0150 [1,1,0,0,0,0|2,0,0]=4 180 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0150 [1,1,0,0,0,0|2,0,0]=4 181 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 WXVL_AG00183SB2824 [1,1,0,0,0,0|1,0,0]=3 182 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 WXVL_AG00183SB2824 [1,1,0,0,0,0|1,0,0]=3 183 B14R1.423 CC(=O)OCC(=O)Nc1ccccn1 WXVL_AF00298SB2824 [1,1,0,0,0,0|2,0,0]=4 184 B14R1.423 CC(=O)OCC(=O)Nc1ccccn1 WXVL_AF00298SB2824 [1,1,0,0,0,0|2,0,0]=4 185 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 WXVL_AG00183SB3992 [1,1,0,0,0,0|1,1,0]=4 186 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 WXVL_AG00183SB3992 [1,1,0,0,0,0|1,1,0]=4 187 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br WXVL_AK0745SB0064 [0,1,0,0,1,0|1,0,1]=4 188 B14R1.13 CCC(=O)NCCc1ccc(cc1)Br WXVL_AK0745SB0064 [0,1,0,0,1,0|1,0,1]=4 189 B14R1.13 CCC(=O)NCCc1ccc(cc1)C WXVL_AK0066SB0064 [0,1,0,0,1,0|1,0,1]=4 190 B14R1.13 CCC(=O)NCCc1ccc(cc1)C WXVL_AK0066SB0064 [0,1,0,0,1,0|1,0,1]=4 191 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl WXVL_AK1369SB0064 [0,1,0,0,1,0|1,0,1]=4 192 B14R1.13 CCC(=O)NCCc1ccc(cc1)Cl WXVL_AK1369SB0064 [0,1,0,0,1,0|1,0,1]=4 193 B14R1.13 CCC(=O)NCCc1ccc(cc1)F WXVL_AK0123SB0064 [0,1,0,0,1,0|1,0,1]=4 194 B14R1.13 CCC(=O)NCCc1ccc(cc1)F WXVL_AK0123SB0064 [0,1,0,0,1,0|1,0,1]=4 195 B14R1.13 CCC(=O)NCCc1ccc(cc1)O WXVL_AK0748SB0064 [0,1,0,0,1,0|1,0,1]=4 196 B14R1.13 CCC(=O)NCCc1ccc(cc1)O WXVL_AK0748SB0064 [0,1,0,0,1,0|1,0,1]=4 197 B14R1.163 CCC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0064 [0,1,0,0,1,0|1,0,1]=4 198 B14R1.163 CCC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0064 [0,1,0,0,1,0|1,0,1]=4 199 B14R1.163 CCC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0064 [0,1,0,0,1,0|1,0,1]=4 200 B14R1.163 CCC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0064 [0,1,0,0,1,0|1,0,1]=4 201 B14R1.163 CCC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0064 [0,1,0,0,1,0|1,0,1]=4 202 B14R1.163 CCC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0064 [0,1,0,0,1,0|1,0,1]=4 203 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00442SB0466 [0,1,0,0,1,0|2,0,0]=4 204 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00442SB0466 [0,1,0,0,1,0|2,0,0]=4 205 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK1222SD0001 [0,1,0,0,1,0|2,0,0]=4 206 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 WXVL_AK1222SD0001 [0,1,0,0,1,0|2,0,0]=4 207 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB2790 [0,1,0,0,1,0|2,0,0]=4 208 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 WXVL_AG00183SB2790 [0,1,0,0,1,0|2,0,0]=4 209 B14R1.837 CCC(=O)NCCc1ccccc1Br WXVL_AK0778SB0064 [0,1,0,0,1,0|1,0,1]=4 210 B14R1.837 CCC(=O)NCCc1ccccc1Br WXVL_AK0778SB0064 [0,1,0,0,1,0|1,0,1]=4 211 B14R1.837 CCC(=O)NCCc1ccccc1C WXVL_AK0254SB0064 [0,1,0,0,1,0|1,0,1]=4 212 B14R1.837 CCC(=O)NCCc1ccccc1C WXVL_AK0254SB0064 [0,1,0,0,1,0|1,0,1]=4 213 B14R1.837 CCC(=O)NCCc1ccccc1Cl WXVL_AK0715SB0064 [0,1,0,0,1,0|1,0,1]=4 214 B14R1.837 CCC(=O)NCCc1ccccc1Cl WXVL_AK0715SB0064 [0,1,0,0,1,0|1,0,1]=4 215 B14R1.837 CCC(=O)NCCc1ccccc1F WXVL_AK0118SB0064 [0,1,0,0,1,0|1,0,1]=4 216 B14R1.837 CCC(=O)NCCc1ccccc1F WXVL_AK0118SB0064 [0,1,0,0,1,0|1,0,1]=4 217 B14R1.837 CCC(=O)NCCc1ccccc1O WXVL_AK2884SB0064 [0,1,0,0,1,0|1,0,1]=4 218 B14R1.837 CCC(=O)NCCc1ccccc1O WXVL_AK2884SB0064 [0,1,0,0,1,0|1,0,1]=4 219 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br WXVL_AK0800SB0064 [0,1,0,0,1,0|1,0,1]=4 220 B14R1.1025 CCC(=O)NCCc1cccc(c1)Br WXVL_AK0800SB0064 [0,1,0,0,1,0|1,0,1]=4 221 B14R1.1025 CCC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0064 [0,1,0,0,1,0|1,0,1]=4 222 B14R1.1025 CCC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0064 [0,1,0,0,1,0|1,0,1]=4 223 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl WXVL_AK0776SB0064 [0,1,0,0,1,0|1,0,1]=4 224 B14R1.1025 CCC(=O)NCCc1cccc(c1)Cl WXVL_AK0776SB0064 [0,1,0,0,1,0|1,0,1]=4 225 B14R1.1025 CCC(=O)NCCc1cccc(c1)F WXVL_AK0117SB0064 [0,1,0,0,1,0|1,0,1]=4 226 B14R1.1025 CCC(=O)NCCc1cccc(c1)F WXVL_AK0117SB0064 [0,1,0,0,1,0|1,0,1]=4 227 B14R1.1025 CCC(=O)NCCc1cccc(c1)O WXVL_AK00421SB0064 [0,1,0,0,1,0|1,0,1]=4 228 B14R1.1025 CCC(=O)NCCc1cccc(c1)O WXVL_AK00421SB0064 [0,1,0,0,1,0|1,0,1]=4 229 B16R1.1343 CCC(=O)NCC(=O)OCc1ccccc1 WXVL_AK00554SB0064 [0,1,0,0,0,1|1,0,1]=4 230 B16R1.1343 CCC(=O)NCC(=O)OCc1ccccc1 WXVL_AK00554SB0064 [0,1,0,0,0,1|1,0,1]=4 231 B16R1.1635 CCC(=O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0344 [0,1,0,0,0,1|1,0,0]=3 232 B16R1.1635 CCC(=O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0344 [0,1,0,0,0,1|1,0,0]=3 233 B16R1.3960 CCCS(=O)(=O)NC/C=C/c1ccccc1 WXVL_AK00073HU0030 [0,2,0,0,0,0|2,0,0]=4 234 B16R1.3960 CCCS(=O)(=O)NC/C=C/c1ccccc1 WXVL_AK00073HU0030 [0,2,0,0,0,0|2,0,0]=4 235 B16R1.3960 O=S(=O)(CCBr)NC/C=C/c1ccccc1 WXVL_AK00073HU0461 [0,2,0,0,0,0|2,0,0]=4 236 B16R1.3960 O=S(=O)(CCBr)NC/C=C/c1ccccc1 WXVL_AK00073HU0461 [0,2,0,0,0,0|2,0,0]=4 237 B16R1.3960 O=S(=O)(CCCl)NC/C=C/c1ccccc1 WXVL_AK00073HU0029 [0,2,0,0,0,0|2,0,0]=4 238 B16R1.3960 O=S(=O)(CCCl)NC/C=C/c1ccccc1 WXVL_AK00073HU0029 [0,2,0,0,0,0|2,0,0]=4 239 B16R1.12253 CC(C)S(=O)(=O)NC/C=C/c1ccccc1 WXVL_AK00073HU0023 [0,2,0,0,0,0|2,0,0]=4 240 B16R1.12253 CC(C)S(=O)(=O)NC/C=C/c1ccccc1 WXVL_AK00073HU0023 [0,2,0,0,0,0|2,0,0]=4 241 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 WXVL_AK00476SB2021 [0,2,0,0,0,0|2,0,0]=4 242 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 WXVL_AK00476SB2021 [0,2,0,0,0,0|2,0,0]=4 243 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 WXVL_AK0465SD0001 [0,2,0,0,0,0|2,0,0]=4 244 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 WXVL_AK0465SD0001 [0,2,0,0,0,0|2,0,0]=4 245 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0073 [0,2,0,0,0,0|2,0,0]=4 246 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0073 [0,2,0,0,0,0|2,0,0]=4 247 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0090 [0,2,0,0,0,0|2,0,0]=4 248 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0090 [0,2,0,0,0,0|2,0,0]=4 249 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1267 [0,2,0,0,0,0|2,0,0]=4 250 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1267 [0,2,0,0,0,0|2,0,0]=4 251 B16R1.1465 C#CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB2189 [0,2,0,0,0,0|1,0,0]=3 252 B16R1.1465 C#CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB2189 [0,2,0,0,0,0|1,0,0]=3 253 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1035 [0,2,0,0,0,0|1,0,0]=3 254 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB1035 [0,2,0,0,0,0|1,0,0]=3 255 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0091 [0,2,0,0,0,0|1,0,0]=3 256 B16R1.1465 CCOCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0091 [0,2,0,0,0,0|1,0,0]=3 257 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0002 [0,2,0,0,0,0|1,0,0]=3 258 B16R1.1465 CCSCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0002 [0,2,0,0,0,0|1,0,0]=3 259 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0156 [0,2,0,0,0,0|1,0,0]=3 260 B16R1.1465 COCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0156 [0,2,0,0,0,0|1,0,0]=3 261 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0361 [0,2,0,0,0,0|1,0,0]=3 262 B16R1.1465 CSCCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0361 [0,2,0,0,0,0|1,0,0]=3 263 B16R1.1465 O=C(/C=C/CBr)NC/C=C/c1ccccc1 WXVL_AK00073SB0424 [0,2,0,0,0,0|1,0,1]=4 264 B16R1.1465 O=C(/C=C/CBr)NC/C=C/c1ccccc1 WXVL_AK00073SB0424 [0,2,0,0,0,0|1,0,1]=4 265 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCCl WXVL_AK00073YV0092 [0,2,0,0,0,0|1,0,0]=3 266 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCCl WXVL_AK00073YV0092 [0,2,0,0,0,0|1,0,0]=3 267 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)C WXVL_AK00073SB0342 [0,2,0,0,0,0|1,0,1]=4 268 B16R1.6929 CC(=CC(=O)NC/C=C/c1ccccc1)C WXVL_AK00073SB0342 [0,2,0,0,0,0|1,0,1]=4 269 B16R1.6929 CC(C)CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0063 [0,2,0,0,0,0|1,0,0]=3 270 B16R1.6929 CC(C)CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0063 [0,2,0,0,0,0|1,0,0]=3 271 B16R1.6929 CC(O)CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB3643 [0,2,0,0,0,0|1,0,0]=3 272 B16R1.6929 CC(O)CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB3643 [0,2,0,0,0,0|1,0,0]=3 273 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0085 [0,2,0,0,0,0|1,0,0]=3 274 B16R1.6929 CN(C)CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0085 [0,2,0,0,0,0|1,0,0]=3 275 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0052 [0,2,0,0,0,0|2,0,0]=4 276 B16R1.4132 CC(C)C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0052 [0,2,0,0,0,0|2,0,0]=4 277 B16R1.4132 CC(S)C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB2708 [0,2,0,0,0,0|2,0,0]=4 278 B16R1.4132 CC(S)C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB2708 [0,2,0,0,0,0|2,0,0]=4 279 B16R1.4132 C[C@@H](O)C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1085 [0,2,0,0,0,0|2,0,0]=4 280 B16R1.4132 C[C@@H](O)C(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB1085 [0,2,0,0,0,0|2,0,0]=4 281 B16R1.12546 CC(C)(Br)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0432 [0,2,0,0,0,0|1,0,0]=3 282 B16R1.12546 CC(C)(Br)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0432 [0,2,0,0,0,0|1,0,0]=3 283 B16R1.12546 CC(C)(C)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0078 [0,2,0,0,0,0|1,0,0]=3 284 B16R1.12546 CC(C)(C)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0078 [0,2,0,0,0,0|1,0,0]=3 285 B16R1.12546 CC(C)(F)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0199 [0,2,0,0,0,0|1,0,0]=3 286 B16R1.12546 CC(C)(F)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0199 [0,2,0,0,0,0|1,0,0]=3 287 B16R1.12546 CC(C)(O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0125 [0,2,0,0,0,0|1,0,0]=3 288 B16R1.12546 CC(C)(O)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0125 [0,2,0,0,0,0|1,0,0]=3 289 B16R1.12546 CC(F)(F)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0197 [0,2,0,0,0,0|1,0,0]=3 290 B16R1.12546 CC(F)(F)C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0197 [0,2,0,0,0,0|1,0,0]=3 291 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(Cl)(Cl)Cl WXVL_AK00073SB0416 [0,2,0,0,0,0|2,0,0]=4 292 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(Cl)(Cl)Cl WXVL_AK00073SB0416 [0,2,0,0,0,0|2,0,0]=4 293 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(F)(F)Cl WXVL_AK00073SB3129 [0,2,0,0,0,0|2,0,0]=4 294 B16R1.12546 O=C(NC/C=C/c1ccccc1)C(F)(F)Cl WXVL_AK00073SB3129 [0,2,0,0,0,0|2,0,0]=4 295 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB0064 [0,0,0,1,0,1|1,0,0]=3 296 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB0064 [0,0,0,1,0,1|1,0,0]=3 297 B16R2.14 CCC(=O)NCc1cnc2n1cccc2 WXVL_AK00293SB0064 [0,0,0,1,0,1|2,0,0]=4 298 B16R2.14 CCC(=O)NCc1cnc2n1cccc2 WXVL_AK00293SB0064 [0,0,0,1,0,1|2,0,0]=4 299 B16R2.14 CCC(=O)NCc1csc2c1cccc2 WXVL_AK3951SB0064 [0,0,0,1,0,1|1,0,0]=3 300 B16R2.14 CCC(=O)NCc1csc2c1cccc2 WXVL_AK3951SB0064 [0,0,0,1,0,1|1,0,0]=3 301 B16R2.14 CCC(=O)NCc1n[nH]c2c1cccc2 WXVL_AK1533SB0064 [0,0,0,1,0,1|2,0,0]=4 302 B16R2.14 CCC(=O)NCc1n[nH]c2c1cccc2 WXVL_AK1533SB0064 [0,0,0,1,0,1|2,0,0]=4 303 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 WXVL_AK00442SA0021 [0,0,0,1,0,1|2,0,0]=4 304 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 WXVL_AK00442SA0021 [0,0,0,1,0,1|2,0,0]=4 305 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 WXVL_AK00442SB1610 [0,0,0,1,0,1|2,0,0]=4 306 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 WXVL_AK00442SB1610 [0,0,0,1,0,1|2,0,0]=4 307 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB2706 [0,0,0,1,0,1|2,0,0]=4 308 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 WXVL_AK0528SB2706 [0,0,0,1,0,1|2,0,0]=4 309 B16R2.14 O=C(CO)NCc1csc2c1cccc2 WXVL_AK3951SB2706 [0,0,0,1,0,1|2,0,0]=4 310 B16R2.14 O=C(CO)NCc1csc2c1cccc2 WXVL_AK3951SB2706 [0,0,0,1,0,1|2,0,0]=4 311 B16R2.170412 CCC(=O)Nc1cncc2c1cccc2 WXVL_AF0106SB0064 [0,0,0,1,0,1|1,0,1]=4 312 B16R2.170412 CCC(=O)Nc1cncc2c1cccc2 WXVL_AF0106SB0064 [0,0,0,1,0,1|1,0,1]=4 313 B16R2.170412 CCC(=O)Nc1nccc2c1cccc2 WXVL_AF0027SB0064 [0,0,0,1,0,1|1,0,1]=4 314 B16R2.170412 CCC(=O)Nc1nccc2c1cccc2 WXVL_AF0027SB0064 [0,0,0,1,0,1|1,0,1]=4 315 B16R2.5347 CCC(=O)Nc1ccc2ccccc2n1 WXVL_AF0062SB0064 [0,1,0,1,0,0|1,0,1]=4 316 B16R2.5347 CCC(=O)Nc1ccc2ccccc2n1 WXVL_AF0062SB0064 [0,1,0,1,0,0|1,0,1]=4 317 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 WXVL_AK00476SB1466 [0,1,0,1,0,0|2,0,0]=4 318 B16R2.5 CCNC(=O)Cn1ccc2c1cccc2 WXVL_AK00476SB1466 [0,1,0,1,0,0|2,0,0]=4 319 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CC2 WXVL_AK00073SB0038 [0,1,0,1,0,0|1,0,0]=3 320 B16R2.27717 O=C(NC/C=C/c1ccccc1)C2CC2 WXVL_AK00073SB0038 [0,1,0,1,0,0|1,0,0]=3 321 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 WXVL_AK00476SE0011 [0,1,0,1,0,0|1,0,1]=4 322 B16R2.160202 CCNC(=O)c1cccc2c1cccc2 WXVL_AK00476SE0011 [0,1,0,1,0,0|1,0,1]=4 323 B16R2.160202 CCNC(=O)c1nccc2c1cccc2 WXVL_AK00476SE0008 [0,1,0,1,0,0|2,0,0]=4 324 B16R2.160202 CCNC(=O)c1nccc2c1cccc2 WXVL_AK00476SE0008 [0,1,0,1,0,0|2,0,0]=4 325 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 WXVL_AK0983SB0064 [0,1,0,1,0,0|1,0,0]=3 326 B16R2.1181 CCC(=O)NCc1cc2ccccc2[nH]1 WXVL_AK0983SB0064 [0,1,0,1,0,0|1,0,0]=3 327 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 WXVL_AK2469SB0064 [0,1,0,1,0,0|1,0,0]=3 328 B16R2.1181 CCC(=O)NCc1cc2ccccc2o1 WXVL_AK2469SB0064 [0,1,0,1,0,0|1,0,0]=3 329 B16R2.1181 CCC(=O)NCc1cn2ccccc2n1 WXVL_AK00803SB0064 [0,1,0,1,0,0|2,0,0]=4 330 B16R2.1181 CCC(=O)NCc1cn2ccccc2n1 WXVL_AK00803SB0064 [0,1,0,1,0,0|2,0,0]=4 331 B16R2.1181 CCC(=O)NCc1nc2ccccc2[nH]1 WXVL_AK00465SB0064 [0,1,0,1,0,0|2,0,0]=4 332 B16R2.1181 CCC(=O)NCc1nc2ccccc2[nH]1 WXVL_AK00465SB0064 [0,1,0,1,0,0|2,0,0]=4 333 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 WXVL_AK0426SB0064 [0,1,0,1,0,0|2,0,0]=4 334 B16R2.1181 CCC(=O)NCc1nc2ccccc2s1 WXVL_AK0426SB0064 [0,1,0,1,0,0|2,0,0]=4 335 B16R2.1181 O=C(CO)NCc1cc2ccccc2[nH]1 WXVL_AK0983SB2706 [0,1,0,1,0,0|2,0,0]=4 336 B16R2.1181 O=C(CO)NCc1cc2ccccc2[nH]1 WXVL_AK0983SB2706 [0,1,0,1,0,0|2,0,0]=4 337 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 WXVL_AK2469SB2706 [0,1,0,1,0,0|2,0,0]=4 338 B16R2.1181 O=C(CO)NCc1cc2ccccc2o1 WXVL_AK2469SB2706 [0,1,0,1,0,0|2,0,0]=4 339 B16R2.2843 O=C1CC[C@H](N1)C(=O)Nc2ccccc2 WXVL_AG00183SB0126 [0,1,0,1,0,0|2,0,0]=4 340 B16R2.2843 O=C1CC[C@H](N1)C(=O)Nc2ccccc2 WXVL_AG00183SB0126 [0,1,0,1,0,0|2,0,0]=4 341 B16R2.2843 O=C1NC[C@H](O1)C(=O)Nc2ccccc2 WXVL_AG00183SBF634 [0,1,0,1,0,0|2,0,0]=4 342 B16R2.2843 O=C1NC[C@H](O1)C(=O)Nc2ccccc2 WXVL_AG00183SBF634 [0,1,0,1,0,0|2,0,0]=4 343 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [1,0,0,0,1,0|1,0,1]=4 344 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [1,0,0,0,1,0|1,0,1]=4 345 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,0,0,0,2,0|1,0,0]=3 346 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,0,0,0,2,0|1,0,0]=3 347 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,0,0,0,2,0|2,0,0]=4 348 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,0,0,0,2,0|2,0,0]=4 349 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [0,0,0,0,2,0|2,0,0]=4 350 B12R1.27 CCC(=O)NCc1cccnc1 WXVL_AK0020SB0064 [0,0,0,0,2,0|2,0,0]=4 351 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [0,0,0,0,2,0|2,0,0]=4 352 B12R1.27 CCC(=O)NCc1ccncc1 WXVL_AK0021SB0064 [0,0,0,0,2,0|2,0,0]=4 353 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,0,0,0,2,0|1,0,0]=3 354 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,0,0,0,2,0|1,0,0]=3 355 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,0,0,0,2,0|2,0,0]=4 356 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,0,0,0,2,0|2,0,0]=4 357 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,0,0,0,2,0|1,0,1]=4 358 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,0,0,0,2,0|1,0,1]=4 359 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,0,0,0,2,0|2,0,0]=4 360 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,0,0,0,2,0|2,0,0]=4 361 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,0,0,0,2,0|2,0,0]=4 362 B12R1.27 CNC(=O)CSc1ccccc1 WXVL_AK00442SB0113 [0,0,0,0,2,0|2,0,0]=4 363 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,0,0,0,2,0|2,0,0]=4 364 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,0,0,0,2,0|2,0,0]=4