0 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.337 CC(=O)NCCCc1cccnc1 WXVL_AK2339SB0150 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.337 CC(=O)NCCCc1cccnc1 WXVL_AK2339SB0150 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.337 CC(=O)NCCCc1ccncc1 WXVL_AK1251SB0150 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.337 CC(=O)NCCCc1ccncc1 WXVL_AK1251SB0150 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.337 CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0150 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.337 CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0150 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.337 CC(=O)NCCNc1ccncn1 WXVL_AK0057LP3358 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.337 CC(=O)NCCNc1ccncn1 WXVL_AK0057LP3358 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.337 CC(=O)NCCNc1ncccn1 WXVL_AK0057LP0002 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.337 CC(=O)NCCNc1ncccn1 WXVL_AK0057LP0002 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.337 CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0150 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.337 CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0150 [0,0,0,0,0,0|2,0,0]=2 16 B13R1.337 CC(=O)NCCOc1ccccn1 WXVL_AK2654SB0150 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.337 CC(=O)NCCOc1ccccn1 WXVL_AK2654SB0150 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.337 CC(=O)NCCOc1cccnc1 WXVL_AK2245SB0150 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.337 CC(=O)NCCOc1cccnc1 WXVL_AK2245SB0150 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.337 CC(=O)NCCOc1ccncc1 WXVL_AK00818SB0150 [0,0,0,0,0,0|3,0,0]=3 21 B13R1.337 CC(=O)NCCOc1ccncc1 WXVL_AK00818SB0150 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,0,0,0,0,0|2,0,0]=2 24 B14R1.148 CC(=O)NCCOc1cccc(c1)Br WXVL_AK0441SB0150 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.148 CC(=O)NCCOc1cccc(c1)Br WXVL_AK0441SB0150 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.148 CC(=O)NCCOc1cccc(c1)F WXVL_AK2572SB0150 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.148 CC(=O)NCCOc1cccc(c1)F WXVL_AK2572SB0150 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.148 NC(=O)CCCOc1cccc(c1)Br WXVL_AK0084SBB366 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.148 NC(=O)CCCOc1cccc(c1)Br WXVL_AK0084SBB366 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.159 CC(=O)NCCOc1ccccc1C WXVL_AK1111SB0150 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.159 CC(=O)NCCOc1ccccc1C WXVL_AK1111SB0150 [0,1,0,0,0,0|2,0,0]=3 32 B14R1.159 CC(=O)NCCOc1ccccc1Cl WXVL_AK0815SB0150 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.159 CC(=O)NCCOc1ccccc1Cl WXVL_AK0815SB0150 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.420 CC(=O)NCCN(C)c1ccccc1 WXVL_AK00706SB0150 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.420 CC(=O)NCCN(C)c1ccccc1 WXVL_AK00706SB0150 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0072 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0072 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0357 [0,1,0,0,0,0|2,0,1]=4 39 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0357 [0,1,0,0,0,0|2,0,1]=4 40 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0150 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0150 [0,1,0,0,0,0|2,0,1]=4 42 B14R1.423 CC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0150 [0,1,0,0,0,0|1,0,0]=2 43 B14R1.423 CC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0150 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 WXVL_AG00183SB2824 [0,1,0,0,0,0|1,0,1]=3 45 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 WXVL_AG00183SB2824 [0,1,0,0,0,0|1,0,1]=3 46 B14R1.423 CC(=O)OCC(=O)Nc1ccccn1 WXVL_AF00298SB2824 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.423 CC(=O)OCC(=O)Nc1ccccn1 WXVL_AF00298SB2824 [0,1,0,0,0,0|2,0,1]=4 48 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 WXVL_AG00183SB3992 [0,1,0,0,0,0|1,1,1]=4 49 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 WXVL_AG00183SB3992 [0,1,0,0,0,0|1,1,1]=4 50 B14R1.677 CC(=O)NCCOc1ccc(cc1)C WXVL_AK7560SB0150 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.677 CC(=O)NCCOc1ccc(cc1)C WXVL_AK7560SB0150 [0,1,0,0,0,0|2,0,0]=3 52 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl WXVL_AK0501SB0150 [0,1,0,0,0,0|2,0,0]=3 53 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl WXVL_AK0501SB0150 [0,1,0,0,0,0|2,0,0]=3 54 B14R1.677 CC(=O)NCCOc1ccc(cc1)F WXVL_AK0979SB0150 [0,1,0,0,0,0|2,0,0]=3 55 B14R1.677 CC(=O)NCCOc1ccc(cc1)F WXVL_AK0979SB0150 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N WXVL_AK0084SB7299 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N WXVL_AK0084SB7299 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br WXVL_AK0084SB4620 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br WXVL_AK0084SB4620 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.677 NC(=O)CCCOc1ccc(cc1)Cl WXVL_AK0084SB1563 [0,1,0,0,0,0|3,0,0]=4 61 B14R1.677 NC(=O)CCCOc1ccc(cc1)Cl WXVL_AK0084SB1563 [0,1,0,0,0,0|3,0,0]=4 62 B14R1.716 C#CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0338 [0,1,0,0,0,0|1,0,1]=3 63 B14R1.716 C#CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0338 [0,1,0,0,0,0|1,0,1]=3 64 B14R1.716 C#CC(=O)NCCCc1cccnc1 WXVL_AK2339SB0338 [0,1,0,0,0,0|2,0,1]=4 65 B14R1.716 C#CC(=O)NCCCc1cccnc1 WXVL_AK2339SB0338 [0,1,0,0,0,0|2,0,1]=4 66 B14R1.716 C#CC(=O)NCCCc1ccncc1 WXVL_AK1251SB0338 [0,1,0,0,0,0|2,0,1]=4 67 B14R1.716 C#CC(=O)NCCCc1ccncc1 WXVL_AK1251SB0338 [0,1,0,0,0,0|2,0,1]=4 68 B14R1.716 C#CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0338 [0,1,0,0,0,0|2,0,1]=4 69 B14R1.716 C#CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0338 [0,1,0,0,0,0|2,0,1]=4 70 B14R1.716 C#CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0338 [0,1,0,0,0,0|2,0,1]=4 71 B14R1.716 C#CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0338 [0,1,0,0,0,0|2,0,1]=4 72 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,1,0,0,0,0|1,0,2]=4 73 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,1,0,0,0,0|1,0,2]=4 74 B14R1.716 CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0064 [0,1,0,0,0,0|1,0,0]=2 75 B14R1.716 CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0064 [0,1,0,0,0,0|1,0,0]=2 76 B14R1.716 CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0064 [0,1,0,0,0,0|2,0,0]=3 77 B14R1.716 CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0064 [0,1,0,0,0,0|2,0,0]=3 78 B14R1.716 CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0064 [0,1,0,0,0,0|2,0,0]=3 79 B14R1.716 CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0064 [0,1,0,0,0,0|2,0,0]=3 80 B14R1.716 CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0064 [0,1,0,0,0,0|2,0,0]=3 81 B14R1.716 CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0064 [0,1,0,0,0,0|2,0,0]=3 82 B14R1.716 CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0064 [0,1,0,0,0,0|2,0,0]=3 83 B14R1.716 CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0064 [0,1,0,0,0,0|2,0,0]=3 84 B14R1.716 CCC(=O)NCCOc1ccccn1 WXVL_AK2654SB0064 [0,1,0,0,0,0|3,0,0]=4 85 B14R1.716 CCC(=O)NCCOc1ccccn1 WXVL_AK2654SB0064 [0,1,0,0,0,0|3,0,0]=4 86 B14R1.716 CCC(=O)NCCOc1cccnc1 WXVL_AK2245SB0064 [0,1,0,0,0,0|3,0,0]=4 87 B14R1.716 CCC(=O)NCCOc1cccnc1 WXVL_AK2245SB0064 [0,1,0,0,0,0|3,0,0]=4 88 B14R1.716 CCC(=O)NCCOc1ccncc1 WXVL_AK00818SB0064 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.716 CCC(=O)NCCOc1ccncc1 WXVL_AK00818SB0064 [0,1,0,0,0,0|3,0,0]=4 90 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,1,0,0,0,0|1,0,0]=2 91 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,1,0,0,0,0|1,0,0]=2 92 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,1,0,0,0,0|1,0,2]=4 93 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,1,0,0,0,0|1,0,2]=4 94 B14R1.716 O=C(CO)NCCCc1ccccc1 WXVL_AK0074SB2706 [0,1,0,0,0,0|1,0,0]=2 95 B14R1.716 O=C(CO)NCCCc1ccccc1 WXVL_AK0074SB2706 [0,1,0,0,0,0|1,0,0]=2 96 B14R1.716 O=C(CO)NCCCc1cccnc1 WXVL_AK2339SB2706 [0,1,0,0,0,0|2,0,0]=3 97 B14R1.716 O=C(CO)NCCCc1cccnc1 WXVL_AK2339SB2706 [0,1,0,0,0,0|2,0,0]=3 98 B14R1.716 O=C(CO)NCCCc1ccncc1 WXVL_AK1251SB2706 [0,1,0,0,0,0|2,0,0]=3 99 B14R1.716 O=C(CO)NCCCc1ccncc1 WXVL_AK1251SB2706 [0,1,0,0,0,0|2,0,0]=3 100 B14R1.716 O=C(CO)NCCNc1ccccc1 WXVL_AK2478SB2706 [0,1,0,0,0,0|2,0,0]=3 101 B14R1.716 O=C(CO)NCCNc1ccccc1 WXVL_AK2478SB2706 [0,1,0,0,0,0|2,0,0]=3 102 B14R1.716 O=C(CO)NCCOc1ccccc1 WXVL_AK0103SB2706 [0,1,0,0,0,0|2,0,0]=3 103 B14R1.716 O=C(CO)NCCOc1ccccc1 WXVL_AK0103SB2706 [0,1,0,0,0,0|2,0,0]=3 104 B14R1.716 O=C(CO)NCCOc1ccccn1 WXVL_AK2654SB2706 [0,1,0,0,0,0|3,0,0]=4 105 B14R1.716 O=C(CO)NCCOc1ccccn1 WXVL_AK2654SB2706 [0,1,0,0,0,0|3,0,0]=4 106 B14R1.716 O=C(CO)NCCOc1cccnc1 WXVL_AK2245SB2706 [0,1,0,0,0,0|3,0,0]=4 107 B14R1.716 O=C(CO)NCCOc1cccnc1 WXVL_AK2245SB2706 [0,1,0,0,0,0|3,0,0]=4 108 B14R1.716 O=C(CO)NCCOc1ccncc1 WXVL_AK00818SB2706 [0,1,0,0,0,0|3,0,0]=4 109 B14R1.716 O=C(CO)NCCOc1ccncc1 WXVL_AK00818SB2706 [0,1,0,0,0,0|3,0,0]=4 110 B14R1.6449 CC(=O)C(=O)NCCc1ccccc1 WXVL_AK00498SB0051 [0,1,0,0,0,0|2,0,0]=3 111 B14R1.6449 CC(=O)C(=O)NCCc1ccccc1 WXVL_AK00498SB0051 [0,1,0,0,0,0|2,0,0]=3 112 B14R1.6449 CC(=O)C(=O)NCCc1ccccn1 WXVL_AK0019SB0051 [0,1,0,0,0,0|3,0,0]=4 113 B14R1.6449 CC(=O)C(=O)NCCc1ccccn1 WXVL_AK0019SB0051 [0,1,0,0,0,0|3,0,0]=4 114 B14R1.6449 CC(=O)C(=O)NCCc1cccnc1 WXVL_AK00436SB0051 [0,1,0,0,0,0|3,0,0]=4 115 B14R1.6449 CC(=O)C(=O)NCCc1cccnc1 WXVL_AK00436SB0051 [0,1,0,0,0,0|3,0,0]=4 116 B14R1.6449 CC(=O)C(=O)NCCc1ccncc1 WXVL_AK0093SB0051 [0,1,0,0,0,0|3,0,0]=4 117 B14R1.6449 CC(=O)C(=O)NCCc1ccncc1 WXVL_AK0093SB0051 [0,1,0,0,0,0|3,0,0]=4 118 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0150 [0,1,0,0,0,0|1,0,0]=2 119 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0150 [0,1,0,0,0,0|1,0,0]=2 120 B14R1.6449 CN(C)C(=O)CCCc1ccccc1 WXVL_AN0032SB0121 [0,1,0,0,0,0|3,0,0]=4 121 B14R1.6449 CN(C)C(=O)CCCc1ccccc1 WXVL_AN0032SB0121 [0,1,0,0,0,0|3,0,0]=4 122 B14R1.6449 NC(=O)C(=O)NCCc1ccccc1 WXVL_AK00498SB0128 [0,1,0,0,0,0|3,0,0]=4 123 B14R1.6449 NC(=O)C(=O)NCCc1ccccc1 WXVL_AK00498SB0128 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.2 CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0150 [0,0,0,1,0,0|1,0,0]=2 125 B14R2.2 CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0150 [0,0,0,1,0,0|1,0,0]=2 126 B14R2.2 CC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0150 [0,0,0,1,0,0|2,0,0]=3 127 B14R2.2 CC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0150 [0,0,0,1,0,0|2,0,0]=3 128 B14R2.2 CC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0150 [0,0,0,1,0,0|2,0,0]=3 129 B14R2.2 CC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0150 [0,0,0,1,0,0|2,0,0]=3 130 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0150 [0,0,0,1,0,0|1,0,0]=2 131 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0150 [0,0,0,1,0,0|1,0,0]=2 132 B14R2.19 O=C1C[C@@H](CO1)Nc2ccncn2 WXVL_AK00458LP3358 [0,0,0,1,0,0|3,0,0]=4 133 B14R2.19 O=C1C[C@@H](CO1)Nc2ccncn2 WXVL_AK00458LP3358 [0,0,0,1,0,0|3,0,0]=4 134 B14R2.19 O=C1C[C@@H](CO1)Nc2ncccn2 WXVL_AK00458LP0002 [0,0,0,1,0,0|3,0,0]=4 135 B14R2.19 O=C1C[C@@H](CO1)Nc2ncccn2 WXVL_AK00458LP0002 [0,0,0,1,0,0|3,0,0]=4 136 B14R2.21 O=C1CN(CCO1)c2ccncn2 WXVL_AN4960LP3358 [0,0,0,1,0,0|3,0,0]=4 137 B14R2.21 O=C1CN(CCO1)c2ncccn2 WXVL_AN4960LP0002 [0,0,0,1,0,0|3,0,0]=4 138 B14R2.780 CC(=O)N1CCC1c2ccccc2 WXVL_AN3661SB0150 [0,0,0,1,0,0|1,0,0]=2 139 B14R2.31359 NC(=O)[C@H]1CCCc2c1cccc2 WXVL_AK0084SB4181 [0,0,0,1,0,0|2,0,0]=3 140 B14R2.31359 NC(=O)[C@H]1CCCc2c1cccc2 WXVL_AK0084SB4181 [0,0,0,1,0,0|2,0,0]=3 141 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,0,0,0,1,0|1,0,0]=2 142 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,0,0,0,1,0|1,0,0]=2 143 B12R1.252 CC(=O)NCCc1ccccn1 WXVL_AK0019SB0150 [0,0,0,0,1,0|2,0,0]=3 144 B12R1.252 CC(=O)NCCc1ccccn1 WXVL_AK0019SB0150 [0,0,0,0,1,0|2,0,0]=3 145 B12R1.252 CC(=O)NCCc1cccnc1 WXVL_AK00436SB0150 [0,0,0,0,1,0|2,0,0]=3 146 B12R1.252 CC(=O)NCCc1cccnc1 WXVL_AK00436SB0150 [0,0,0,0,1,0|2,0,0]=3 147 B12R1.252 CC(=O)NCCc1ccncc1 WXVL_AK0093SB0150 [0,0,0,0,1,0|2,0,0]=3 148 B12R1.252 CC(=O)NCCc1ccncc1 WXVL_AK0093SB0150 [0,0,0,0,1,0|2,0,0]=3 149 B12R1.252 CC(=O)NCCc1ccncn1 WXVL_AK6509SB0150 [0,0,0,0,1,0|3,0,0]=4 150 B12R1.252 CC(=O)NCCc1ccncn1 WXVL_AK6509SB0150 [0,0,0,0,1,0|3,0,0]=4 151 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,0,0,0,1,0|1,0,0]=2 152 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,0,0,0,1,0|1,0,0]=2 153 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,0,0,0,1,0|2,0,0]=3 154 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,0,0,0,1,0|2,0,0]=3 155 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,0,0,0,1,0|2,0,0]=3 156 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,0,0,0,1,0|2,0,0]=3 157 B12R1.255 CC(=O)NCCCn1ccnc1 WXVL_AK0078SB0150 [0,0,0,0,1,0|3,0,0]=4 158 B12R1.255 CC(=O)NCCCn1ccnc1 WXVL_AK0078SB0150 [0,0,0,0,1,0|3,0,0]=4 159 B14R1.422 CC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0150 [0,0,0,0,0,1|1,0,0]=2 160 B14R1.422 CC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0150 [0,0,0,0,0,1|1,0,0]=2 161 B14R1.422 CC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0150 [0,0,0,0,0,1|1,0,0]=2 162 B14R1.422 CC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0150 [0,0,0,0,0,1|1,0,0]=2 163 B14R1.422 CC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0150 [0,0,0,0,0,1|1,0,0]=2 164 B14R1.422 CC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0150 [0,0,0,0,0,1|1,0,0]=2 165 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.45 CC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0150 [0,1,0,0,1,0|1,0,0]=3 168 B13R1.45 CC(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0150 [0,1,0,0,1,0|1,0,0]=3 169 B13R1.45 CC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0150 [0,1,0,0,1,0|1,0,0]=3 170 B13R1.45 CC(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0150 [0,1,0,0,1,0|1,0,0]=3 171 B13R1.45 CC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0150 [0,1,0,0,1,0|1,0,0]=3 172 B13R1.45 CC(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0150 [0,1,0,0,1,0|1,0,0]=3 173 B13R1.149 CC(=O)NCCc1cccc(c1)Br WXVL_AK0800SB0150 [0,1,0,0,1,0|1,0,0]=3 174 B13R1.149 CC(=O)NCCc1cccc(c1)Br WXVL_AK0800SB0150 [0,1,0,0,1,0|1,0,0]=3 175 B13R1.149 CC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0150 [0,1,0,0,1,0|1,0,0]=3 176 B13R1.149 CC(=O)NCCc1cccc(c1)C WXVL_AK8219SB0150 [0,1,0,0,1,0|1,0,0]=3 177 B13R1.149 CC(=O)NCCc1cccc(c1)Cl WXVL_AK0776SB0150 [0,1,0,0,1,0|1,0,0]=3 178 B13R1.149 CC(=O)NCCc1cccc(c1)Cl WXVL_AK0776SB0150 [0,1,0,0,1,0|1,0,0]=3 179 B13R1.149 CC(=O)NCCc1cccc(c1)F WXVL_AK0117SB0150 [0,1,0,0,1,0|1,0,0]=3 180 B13R1.149 CC(=O)NCCc1cccc(c1)F WXVL_AK0117SB0150 [0,1,0,0,1,0|1,0,0]=3 181 B13R1.149 CC(=O)NCCc1cccc(c1)O WXVL_AK00421SB0150 [0,1,0,0,1,0|1,0,0]=3 182 B13R1.149 CC(=O)NCCc1cccc(c1)O WXVL_AK00421SB0150 [0,1,0,0,1,0|1,0,0]=3 183 B13R1.158 CC(=O)NCCc1ccccc1Br WXVL_AK0778SB0150 [0,1,0,0,1,0|1,0,0]=3 184 B13R1.158 CC(=O)NCCc1ccccc1Br WXVL_AK0778SB0150 [0,1,0,0,1,0|1,0,0]=3 185 B13R1.158 CC(=O)NCCc1ccccc1C WXVL_AK0254SB0150 [0,1,0,0,1,0|1,0,0]=3 186 B13R1.158 CC(=O)NCCc1ccccc1C WXVL_AK0254SB0150 [0,1,0,0,1,0|1,0,0]=3 187 B13R1.158 CC(=O)NCCc1ccccc1Cl WXVL_AK0715SB0150 [0,1,0,0,1,0|1,0,0]=3 188 B13R1.158 CC(=O)NCCc1ccccc1Cl WXVL_AK0715SB0150 [0,1,0,0,1,0|1,0,0]=3 189 B13R1.158 CC(=O)NCCc1ccccc1F WXVL_AK0118SB0150 [0,1,0,0,1,0|1,0,0]=3 190 B13R1.158 CC(=O)NCCc1ccccc1F WXVL_AK0118SB0150 [0,1,0,0,1,0|1,0,0]=3 191 B13R1.158 CC(=O)NCCc1ccccc1O WXVL_AK2884SB0150 [0,1,0,0,1,0|1,0,0]=3 192 B13R1.158 CC(=O)NCCc1ccccc1O WXVL_AK2884SB0150 [0,1,0,0,1,0|1,0,0]=3 193 B13R1.158 NC(=O)CCCc1ccccc1F WXVL_AK0084SB3843 [0,1,0,0,1,0|1,0,0]=3 194 B13R1.158 NC(=O)CCCc1ccccc1F WXVL_AK0084SB3843 [0,1,0,0,1,0|1,0,0]=3 195 B13R1.158 NC(=O)CCOc1ccccc1Br WXVL_AK0084SB6717 [0,1,0,0,1,0|2,0,0]=4 196 B13R1.158 NC(=O)CCOc1ccccc1Br WXVL_AK0084SB6717 [0,1,0,0,1,0|2,0,0]=4 197 B13R1.348 CC(CC(=O)N)Oc1ccccc1 WXVL_AK0084SA00047 [0,1,0,0,1,0|2,0,0]=4 198 B13R1.348 CC(CC(=O)N)Oc1ccccc1 WXVL_AK0084SA00047 [0,1,0,0,1,0|2,0,0]=4 199 B13R1.351 CC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0051 [0,1,0,0,1,0|1,0,1]=4 200 B13R1.351 CC(=O)C(=O)NCc1ccccc1 WXVL_AK00502SB0051 [0,1,0,0,1,0|1,0,1]=4 201 B13R1.513 CC(=O)NCCc1ccc(cc1)Br WXVL_AK0745SB0150 [0,1,0,0,1,0|1,0,0]=3 202 B13R1.513 CC(=O)NCCc1ccc(cc1)Br WXVL_AK0745SB0150 [0,1,0,0,1,0|1,0,0]=3 203 B13R1.513 CC(=O)NCCc1ccc(cc1)C WXVL_AK0066SB0150 [0,1,0,0,1,0|1,0,0]=3 204 B13R1.513 CC(=O)NCCc1ccc(cc1)C WXVL_AK0066SB0150 [0,1,0,0,1,0|1,0,0]=3 205 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl WXVL_AK1369SB0150 [0,1,0,0,1,0|1,0,0]=3 206 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl WXVL_AK1369SB0150 [0,1,0,0,1,0|1,0,0]=3 207 B13R1.513 CC(=O)NCCc1ccc(cc1)F WXVL_AK0123SB0150 [0,1,0,0,1,0|1,0,0]=3 208 B13R1.513 CC(=O)NCCc1ccc(cc1)F WXVL_AK0123SB0150 [0,1,0,0,1,0|1,0,0]=3 209 B13R1.513 CC(=O)NCCc1ccc(cc1)O WXVL_AK0748SB0150 [0,1,0,0,1,0|1,0,0]=3 210 B13R1.513 CC(=O)NCCc1ccc(cc1)O WXVL_AK0748SB0150 [0,1,0,0,1,0|1,0,0]=3 211 B13R1.513 Cc1ccc(cc1)OCCC(=O)N WXVL_AK0084SB0468 [0,1,0,0,1,0|2,0,0]=4 212 B13R1.513 Cc1ccc(cc1)OCCC(=O)N WXVL_AK0084SB0468 [0,1,0,0,1,0|2,0,0]=4 213 B13R1.513 NC(=O)CCCc1ccc(cc1)Br WXVL_AK0084SB4477 [0,1,0,0,1,0|1,0,0]=3 214 B13R1.513 NC(=O)CCCc1ccc(cc1)Br WXVL_AK0084SB4477 [0,1,0,0,1,0|1,0,0]=3 215 B13R1.513 NC(=O)CCCc1ccc(cc1)F WXVL_AK0084SB1490 [0,1,0,0,1,0|1,0,0]=3 216 B13R1.513 NC(=O)CCCc1ccc(cc1)F WXVL_AK0084SB1490 [0,1,0,0,1,0|1,0,0]=3 217 B13R1.513 NC(=O)CCOc1ccc(cc1)Br WXVL_AK0084SB0800 [0,1,0,0,1,0|2,0,0]=4 218 B13R1.513 NC(=O)CCOc1ccc(cc1)Br WXVL_AK0084SB0800 [0,1,0,0,1,0|2,0,0]=4 219 B13R1.513 NC(=O)CCOc1ccc(cc1)F WXVL_AK0084SB0479 [0,1,0,0,1,0|2,0,0]=4 220 B13R1.513 NC(=O)CCOc1ccc(cc1)F WXVL_AK0084SB0479 [0,1,0,0,1,0|2,0,0]=4 221 B15R1.119 CC(=O)NCCCOc1cccc(c1)F WXVL_AK4001SB0150 [0,1,0,0,0,1|1,0,0]=3 222 B15R1.119 CC(=O)NCCCOc1cccc(c1)F WXVL_AK4001SB0150 [0,1,0,0,0,1|1,0,0]=3 223 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 WXVL_AK0057SD0001 [0,1,0,0,0,1|1,0,1]=4 224 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 WXVL_AK0057SD0001 [0,1,0,0,0,1|1,0,1]=4 225 B15R1.871 CC(=O)NCCCCc1ccc(cc1)Cl WXVL_AK5305SB0150 [0,1,0,0,0,1|1,0,0]=3 226 B15R1.871 CC(=O)NCCCCc1ccc(cc1)Cl WXVL_AK5305SB0150 [0,1,0,0,0,1|1,0,0]=3 227 B15R1.871 CC(=O)NCCCOc1ccc(cc1)F WXVL_AK0995SB0150 [0,1,0,0,0,1|1,0,0]=3 228 B15R1.871 CC(=O)NCCCOc1ccc(cc1)F WXVL_AK0995SB0150 [0,1,0,0,0,1|1,0,0]=3 229 B15R1.962 C#CC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0338 [0,1,0,0,0,1|1,0,1]=4 230 B15R1.962 C#CC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0338 [0,1,0,0,0,1|1,0,1]=4 231 B15R1.962 C#CC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0338 [0,1,0,0,0,1|1,0,1]=4 232 B15R1.962 C#CC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0338 [0,1,0,0,0,1|1,0,1]=4 233 B15R1.962 C#CC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0338 [0,1,0,0,0,1|1,0,1]=4 234 B15R1.962 C#CC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0338 [0,1,0,0,0,1|1,0,1]=4 235 B15R1.962 CCC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0064 [0,1,0,0,0,1|1,0,0]=3 236 B15R1.962 CCC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0064 [0,1,0,0,0,1|1,0,0]=3 237 B15R1.962 CCC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0064 [0,1,0,0,0,1|1,0,0]=3 238 B15R1.962 CCC(=O)NCCCOc1ccccc1 WXVL_AK2366SB0064 [0,1,0,0,0,1|1,0,0]=3 239 B15R1.962 CCC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0064 [0,1,0,0,0,1|1,0,0]=3 240 B15R1.962 CCC(=O)NCCOCc1ccccc1 WXVL_AK1105SB0064 [0,1,0,0,0,1|1,0,0]=3 241 B15R1.962 O=C(CO)NCCCCc1ccccc1 WXVL_AK00516SB2706 [0,1,0,0,0,1|1,0,0]=3 242 B15R1.962 O=C(CO)NCCCCc1ccccc1 WXVL_AK00516SB2706 [0,1,0,0,0,1|1,0,0]=3 243 B15R1.962 O=C(CO)NCCCOc1ccccc1 WXVL_AK2366SB2706 [0,1,0,0,0,1|1,0,0]=3 244 B15R1.962 O=C(CO)NCCCOc1ccccc1 WXVL_AK2366SB2706 [0,1,0,0,0,1|1,0,0]=3 245 B15R1.962 O=C(CO)NCCOCc1ccccc1 WXVL_AK1105SB2706 [0,1,0,0,0,1|1,0,0]=3 246 B15R1.962 O=C(CO)NCCOCc1ccccc1 WXVL_AK1105SB2706 [0,1,0,0,0,1|1,0,0]=3 247 B15R1.1081 CC(=O)NCCC(=O)Nc1ccccc1 WXVL_AG00183SB0374 [0,1,0,0,0,1|1,0,1]=4 248 B15R1.1081 CC(=O)NCCC(=O)Nc1ccccc1 WXVL_AG00183SB0374 [0,1,0,0,0,1|1,0,1]=4 249 B15R1.3664 CC(=O)C(=O)NCCCc1ccccc1 WXVL_AK0074SB0051 [0,1,0,0,0,1|1,0,0]=3 250 B15R1.3664 CC(=O)C(=O)NCCCc1ccccc1 WXVL_AK0074SB0051 [0,1,0,0,0,1|1,0,0]=3 251 B15R1.3664 CC(=O)C(=O)NCCCc1cccnc1 WXVL_AK2339SB0051 [0,1,0,0,0,1|2,0,0]=4 252 B15R1.3664 CC(=O)C(=O)NCCCc1cccnc1 WXVL_AK2339SB0051 [0,1,0,0,0,1|2,0,0]=4 253 B15R1.3664 CC(=O)C(=O)NCCCc1ccncc1 WXVL_AK1251SB0051 [0,1,0,0,0,1|2,0,0]=4 254 B15R1.3664 CC(=O)C(=O)NCCCc1ccncc1 WXVL_AK1251SB0051 [0,1,0,0,0,1|2,0,0]=4 255 B15R1.3664 CC(=O)C(=O)NCCNc1ccccc1 WXVL_AK2478SB0051 [0,1,0,0,0,1|2,0,0]=4 256 B15R1.3664 CC(=O)C(=O)NCCNc1ccccc1 WXVL_AK2478SB0051 [0,1,0,0,0,1|2,0,0]=4 257 B15R1.3664 CC(=O)C(=O)NCCOc1ccccc1 WXVL_AK0103SB0051 [0,1,0,0,0,1|2,0,0]=4 258 B15R1.3664 CC(=O)C(=O)NCCOc1ccccc1 WXVL_AK0103SB0051 [0,1,0,0,0,1|2,0,0]=4 259 B15R1.3664 NC(=O)C(=O)NCCCc1ccccc1 WXVL_AK0074SB0128 [0,1,0,0,0,1|2,0,0]=4 260 B15R1.3664 NC(=O)C(=O)NCCCc1ccccc1 WXVL_AK0074SB0128 [0,1,0,0,0,1|2,0,0]=4 261 B15R1.5919 CC(=O)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0072 [0,1,0,0,0,1|1,0,1]=4 262 B15R1.5919 CC(=O)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0072 [0,1,0,0,0,1|1,0,1]=4 263 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 WXVL_AK00502SB0357 [0,1,0,0,0,1|1,0,1]=4 264 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 WXVL_AK00502SB0357 [0,1,0,0,0,1|1,0,1]=4 265 B15R1.5919 CC(=O)NCC(=O)OCc1ccccc1 WXVL_AK00554SB0150 [0,1,0,0,0,1|1,0,1]=4 266 B15R1.5919 CC(=O)NCC(=O)OCc1ccccc1 WXVL_AK00554SB0150 [0,1,0,0,0,1|1,0,1]=4 267 B15R1.5919 CC(=O)OCC(=O)NCc1ccccc1 WXVL_AK00502SB2824 [0,1,0,0,0,1|0,0,1]=3 268 B15R1.5919 CC(=O)OCC(=O)NCc1ccccc1 WXVL_AK00502SB2824 [0,1,0,0,0,1|0,0,1]=3 269 B15R1.5919 CC(=O)OCC(=O)NCc1ccccn1 WXVL_AK0018SB2824 [0,1,0,0,0,1|1,0,1]=4 270 B15R1.5919 CC(=O)OCC(=O)NCc1ccccn1 WXVL_AK0018SB2824 [0,1,0,0,0,1|1,0,1]=4 271 B15R1.5919 CC(=O)OCC(=O)NCc1cccnc1 WXVL_AK0020SB2824 [0,1,0,0,0,1|1,0,1]=4 272 B15R1.5919 CC(=O)OCC(=O)NCc1cccnc1 WXVL_AK0020SB2824 [0,1,0,0,0,1|1,0,1]=4 273 B15R1.5919 CC(=O)OCC(=O)NCc1ccncc1 WXVL_AK0021SB2824 [0,1,0,0,0,1|1,0,1]=4 274 B15R1.5919 CC(=O)OCC(=O)NCc1ccncc1 WXVL_AK0021SB2824 [0,1,0,0,0,1|1,0,1]=4 275 B15R1.5919 CC(=O)SCC(=O)NCc1ccccc1 WXVL_AK00502SB3992 [0,1,0,0,0,1|0,1,1]=4 276 B15R1.5919 CC(=O)SCC(=O)NCc1ccccc1 WXVL_AK00502SB3992 [0,1,0,0,0,1|0,1,1]=4 277 B15R1.64 CC(=O)NCCOc1cccc(c1)C#N WXVL_AK4073SB0150 [0,2,0,0,0,0|2,0,0]=4 278 B15R1.64 CC(=O)NCCOc1cccc(c1)C#N WXVL_AK4073SB0150 [0,2,0,0,0,0|2,0,0]=4 279 B15R1.64 COc1cccc(c1)OCCNC(=O)C WXVL_AK1237SB0150 [0,2,0,0,0,0|2,0,0]=4 280 B15R1.64 COc1cccc(c1)OCCNC(=O)C WXVL_AK1237SB0150 [0,2,0,0,0,0|2,0,0]=4 281 B15R1.120 CC(=O)OCC(=O)Nc1cccc(c1)C WXVL_AG0052SB2824 [0,2,0,0,0,0|1,0,1]=4 282 B15R1.120 CC(=O)OCC(=O)Nc1cccc(c1)C WXVL_AG0052SB2824 [0,2,0,0,0,0|1,0,1]=4 283 B15R1.120 CC(=O)OCC(=O)Nc1cccc(c1)I WXVL_AG0649SB2824 [0,2,0,0,0,0|1,0,1]=4 284 B15R1.120 CC(=O)OCC(=O)Nc1cccc(c1)I WXVL_AG0649SB2824 [0,2,0,0,0,0|1,0,1]=4 285 B15R1.120 CC(=O)OCC(=O)Nc1cccc(c1)O WXVL_AG00200SB2824 [0,2,0,0,0,0|1,0,1]=4 286 B15R1.120 CC(=O)OCC(=O)Nc1cccc(c1)O WXVL_AG00200SB2824 [0,2,0,0,0,0|1,0,1]=4 287 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)Br WXVL_AK0800SB0051 [0,2,0,0,0,0|2,0,0]=4 288 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)Br WXVL_AK0800SB0051 [0,2,0,0,0,0|2,0,0]=4 289 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)C WXVL_AK8219SB0051 [0,2,0,0,0,0|2,0,0]=4 290 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)C WXVL_AK8219SB0051 [0,2,0,0,0,0|2,0,0]=4 291 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)Cl WXVL_AK0776SB0051 [0,2,0,0,0,0|2,0,0]=4 292 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)Cl WXVL_AK0776SB0051 [0,2,0,0,0,0|2,0,0]=4 293 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)F WXVL_AK0117SB0051 [0,2,0,0,0,0|2,0,0]=4 294 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)F WXVL_AK0117SB0051 [0,2,0,0,0,0|2,0,0]=4 295 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)O WXVL_AK00421SB0051 [0,2,0,0,0,0|2,0,0]=4 296 B15R1.121 CC(=O)C(=O)NCCc1cccc(c1)O WXVL_AK00421SB0051 [0,2,0,0,0,0|2,0,0]=4 297 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br WXVL_AK0441SB0064 [0,2,0,0,0,0|2,0,0]=4 298 B15R1.942 CCC(=O)NCCOc1cccc(c1)Br WXVL_AK0441SB0064 [0,2,0,0,0,0|2,0,0]=4 299 B15R1.942 CCC(=O)NCCOc1cccc(c1)F WXVL_AK2572SB0064 [0,2,0,0,0,0|2,0,0]=4 300 B15R1.942 CCC(=O)NCCOc1cccc(c1)F WXVL_AK2572SB0064 [0,2,0,0,0,0|2,0,0]=4 301 B15R1.942 CNC(=O)CCCOc1cccc(c1)Br WXVL_AK00442SBB366 [0,2,0,0,0,0|2,0,0]=4 302 B15R1.942 CNC(=O)CCCOc1cccc(c1)Br WXVL_AK00442SBB366 [0,2,0,0,0,0|2,0,0]=4 303 B15R1.942 O=C(CO)NCCOc1cccc(c1)Br WXVL_AK0441SB2706 [0,2,0,0,0,0|2,0,0]=4 304 B15R1.942 O=C(CO)NCCOc1cccc(c1)Br WXVL_AK0441SB2706 [0,2,0,0,0,0|2,0,0]=4 305 B15R1.942 O=C(CO)NCCOc1cccc(c1)F WXVL_AK2572SB2706 [0,2,0,0,0,0|2,0,0]=4 306 B15R1.942 O=C(CO)NCCOc1cccc(c1)F WXVL_AK2572SB2706 [0,2,0,0,0,0|2,0,0]=4 307 B15R1.84 COc1ccccc1OCCNC(=O)C WXVL_AK1067SB0150 [0,2,0,0,0,0|2,0,0]=4 308 B15R1.84 COc1ccccc1OCCNC(=O)C WXVL_AK1067SB0150 [0,2,0,0,0,0|2,0,0]=4 309 B15R1.84 CSc1ccccc1OCCNC(=O)C WXVL_AK4000SB0150 [0,2,0,0,0,0|2,0,0]=4 310 B15R1.84 CSc1ccccc1OCCNC(=O)C WXVL_AK4000SB0150 [0,2,0,0,0,0|2,0,0]=4 311 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1Br WXVL_AG00180SB2824 [0,2,0,0,0,0|1,0,1]=4 312 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1Br WXVL_AG00180SB2824 [0,2,0,0,0,0|1,0,1]=4 313 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1C WXVL_AG0027SB2824 [0,2,0,0,0,0|1,0,1]=4 314 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1C WXVL_AG0027SB2824 [0,2,0,0,0,0|1,0,1]=4 315 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1Cl WXVL_AG00129SB2824 [0,2,0,0,0,0|1,0,1]=4 316 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1Cl WXVL_AG00129SB2824 [0,2,0,0,0,0|1,0,1]=4 317 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1I WXVL_AG0385SB2824 [0,2,0,0,0,0|1,0,1]=4 318 B15R1.256 CC(=O)OCC(=O)Nc1ccccc1I WXVL_AG0385SB2824 [0,2,0,0,0,0|1,0,1]=4 319 B15R1.257 CC(=O)C(=O)NCCc1ccccc1Br WXVL_AK0778SB0051 [0,2,0,0,0,0|2,0,0]=4 320 B15R1.257 CC(=O)C(=O)NCCc1ccccc1Br WXVL_AK0778SB0051 [0,2,0,0,0,0|2,0,0]=4 321 B15R1.257 CC(=O)C(=O)NCCc1ccccc1C WXVL_AK0254SB0051 [0,2,0,0,0,0|2,0,0]=4 322 B15R1.257 CC(=O)C(=O)NCCc1ccccc1C WXVL_AK0254SB0051 [0,2,0,0,0,0|2,0,0]=4 323 B15R1.257 CC(=O)C(=O)NCCc1ccccc1Cl WXVL_AK0715SB0051 [0,2,0,0,0,0|2,0,0]=4 324 B15R1.257 CC(=O)C(=O)NCCc1ccccc1Cl WXVL_AK0715SB0051 [0,2,0,0,0,0|2,0,0]=4 325 B15R1.257 CC(=O)C(=O)NCCc1ccccc1F WXVL_AK0118SB0051 [0,2,0,0,0,0|2,0,0]=4 326 B15R1.257 CC(=O)C(=O)NCCc1ccccc1F WXVL_AK0118SB0051 [0,2,0,0,0,0|2,0,0]=4 327 B15R1.257 CC(=O)C(=O)NCCc1ccccc1O WXVL_AK2884SB0051 [0,2,0,0,0,0|2,0,0]=4 328 B15R1.257 CC(=O)C(=O)NCCc1ccccc1O WXVL_AK2884SB0051 [0,2,0,0,0,0|2,0,0]=4 329 B15R1.1091 CCC(=O)NCCOc1ccccc1C WXVL_AK1111SB0064 [0,2,0,0,0,0|2,0,0]=4 330 B15R1.1091 CCC(=O)NCCOc1ccccc1C WXVL_AK1111SB0064 [0,2,0,0,0,0|2,0,0]=4 331 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl WXVL_AK0815SB0064 [0,2,0,0,0,0|2,0,0]=4 332 B15R1.1091 CCC(=O)NCCOc1ccccc1Cl WXVL_AK0815SB0064 [0,2,0,0,0,0|2,0,0]=4 333 B15R1.1091 Cc1ccccc1OCCNC(=O)CO WXVL_AK1111SB2706 [0,2,0,0,0,0|2,0,0]=4 334 B15R1.1091 Cc1ccccc1OCCNC(=O)CO WXVL_AK1111SB2706 [0,2,0,0,0,0|2,0,0]=4 335 B15R1.1091 O=C(CO)NCCOc1ccccc1Cl WXVL_AK0815SB2706 [0,2,0,0,0,0|2,0,0]=4 336 B15R1.1091 O=C(CO)NCCOc1ccccc1Cl WXVL_AK0815SB2706 [0,2,0,0,0,0|2,0,0]=4 337 B15R1.490 CC(=O)NCCS(=O)(=O)c1ccccc1 WXVL_AK00592SB0150 [0,2,0,0,0,0|2,0,0]=4 338 B15R1.490 CC(=O)NCCS(=O)(=O)c1ccccc1 WXVL_AK00592SB0150 [0,2,0,0,0,0|2,0,0]=4 339 B15R1.500 CC(=O)C(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0051 [0,2,0,0,0,0|2,0,0]=4 340 B15R1.500 CC(=O)C(=O)NCC(C)c1ccccc1 WXVL_AK00546SB0051 [0,2,0,0,0,0|2,0,0]=4 341 B15R1.500 CC(=O)C(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0051 [0,2,0,0,0,0|2,0,0]=4 342 B15R1.500 CC(=O)C(=O)NCC(O)c1ccccc1 WXVL_AK0051SB0051 [0,2,0,0,0,0|2,0,0]=4 343 B15R1.500 CC(=O)C(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0051 [0,2,0,0,0,0|2,0,0]=4 344 B15R1.500 CC(=O)C(=O)NC[C@@H](C)c1ccccc1 WXVL_AK00506SB0051 [0,2,0,0,0,0|2,0,0]=4 345 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 WXVL_AK00706SB0064 [0,2,0,0,0,0|2,0,0]=4 346 B15R1.959 CCC(=O)NCCN(C)c1ccccc1 WXVL_AK00706SB0064 [0,2,0,0,0,0|2,0,0]=4 347 B15R1.959 CN(CCNC(=O)CO)c1ccccc1 WXVL_AK00706SB2706 [0,2,0,0,0,0|2,0,0]=4 348 B15R1.959 CN(CCNC(=O)CO)c1ccccc1 WXVL_AK00706SB2706 [0,2,0,0,0,0|2,0,0]=4 349 B15R1.111 CC(=O)OCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB2824 [0,2,0,0,0,0|1,0,1]=4 350 B15R1.111 CC(=O)OCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB2824 [0,2,0,0,0,0|1,0,1]=4 351 B15R1.111 CC(=O)OCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB2824 [0,2,0,0,0,0|1,0,1]=4 352 B15R1.111 CC(=O)OCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB2824 [0,2,0,0,0,0|1,0,1]=4 353 B15R1.964 C#CC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0338 [0,2,0,0,0,0|1,0,1]=4 354 B15R1.964 C#CC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0338 [0,2,0,0,0,0|1,0,1]=4 355 B15R1.964 CCC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0064 [0,2,0,0,0,0|1,0,0]=3 356 B15R1.964 CCC(=O)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB0064 [0,2,0,0,0,0|1,0,0]=3 357 B15R1.964 O=C(CO)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB2706 [0,2,0,0,0,0|1,0,0]=3 358 B15R1.964 O=C(CO)NC[C@H](O)Cc1ccccc1 WXVL_AKA020SB2706 [0,2,0,0,0,0|1,0,0]=3 359 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 WXVL_AK2953SB0150 [0,2,0,0,0,0|1,0,0]=3 360 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 WXVL_AK2953SB0150 [0,2,0,0,0,0|1,0,0]=3 361 B15R1.4 CC(=O)NCCOc1ccc(cc1)C#N WXVL_AK3997SB0150 [0,2,0,0,0,0|2,0,0]=4 362 B15R1.4 CC(=O)NCCOc1ccc(cc1)C#N WXVL_AK3997SB0150 [0,2,0,0,0,0|2,0,0]=4 363 B15R1.4 COc1ccc(cc1)OCCNC(=O)C WXVL_AK1125SB0150 [0,2,0,0,0,0|2,0,0]=4 364 B15R1.4 COc1ccc(cc1)OCCNC(=O)C WXVL_AK1125SB0150 [0,2,0,0,0,0|2,0,0]=4 365 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C WXVL_AK7560SB0064 [0,2,0,0,0,0|2,0,0]=4 366 B15R1.26 CCC(=O)NCCOc1ccc(cc1)C WXVL_AK7560SB0064 [0,2,0,0,0,0|2,0,0]=4 367 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl WXVL_AK0501SB0064 [0,2,0,0,0,0|2,0,0]=4 368 B15R1.26 CCC(=O)NCCOc1ccc(cc1)Cl WXVL_AK0501SB0064 [0,2,0,0,0,0|2,0,0]=4 369 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F WXVL_AK0979SB0064 [0,2,0,0,0,0|2,0,0]=4 370 B15R1.26 CCC(=O)NCCOc1ccc(cc1)F WXVL_AK0979SB0064 [0,2,0,0,0,0|2,0,0]=4 371 B15R1.26 CNC(=O)CCCOc1ccc(cc1)Br WXVL_AK00442SB4620 [0,2,0,0,0,0|2,0,0]=4 372 B15R1.26 CNC(=O)CCCOc1ccc(cc1)Br WXVL_AK00442SB4620 [0,2,0,0,0,0|2,0,0]=4 373 B15R1.26 CNC(=O)CCCOc1ccc(cc1)Cl WXVL_AK00442SB1563 [0,2,0,0,0,0|2,0,0]=4 374 B15R1.26 CNC(=O)CCCOc1ccc(cc1)Cl WXVL_AK00442SB1563 [0,2,0,0,0,0|2,0,0]=4 375 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C WXVL_AK00442SB7299 [0,2,0,0,0,0|2,0,0]=4 376 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C WXVL_AK00442SB7299 [0,2,0,0,0,0|2,0,0]=4 377 B15R1.26 Cc1ccc(cc1)OCCNC(=O)CO WXVL_AK7560SB2706 [0,2,0,0,0,0|2,0,0]=4 378 B15R1.26 Cc1ccc(cc1)OCCNC(=O)CO WXVL_AK7560SB2706 [0,2,0,0,0,0|2,0,0]=4 379 B15R1.26 O=C(CO)NCCOc1ccc(cc1)Cl WXVL_AK0501SB2706 [0,2,0,0,0,0|2,0,0]=4 380 B15R1.26 O=C(CO)NCCOc1ccc(cc1)Cl WXVL_AK0501SB2706 [0,2,0,0,0,0|2,0,0]=4 381 B15R1.26 O=C(CO)NCCOc1ccc(cc1)F WXVL_AK0979SB2706 [0,2,0,0,0,0|2,0,0]=4 382 B15R1.26 O=C(CO)NCCOc1ccc(cc1)F WXVL_AK0979SB2706 [0,2,0,0,0,0|2,0,0]=4 383 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)Br WXVL_AK0745SB0051 [0,2,0,0,0,0|2,0,0]=4 384 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)Br WXVL_AK0745SB0051 [0,2,0,0,0,0|2,0,0]=4 385 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)C WXVL_AK0066SB0051 [0,2,0,0,0,0|2,0,0]=4 386 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)C WXVL_AK0066SB0051 [0,2,0,0,0,0|2,0,0]=4 387 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)Cl WXVL_AK1369SB0051 [0,2,0,0,0,0|2,0,0]=4 388 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)Cl WXVL_AK1369SB0051 [0,2,0,0,0,0|2,0,0]=4 389 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)F WXVL_AK0123SB0051 [0,2,0,0,0,0|2,0,0]=4 390 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)F WXVL_AK0123SB0051 [0,2,0,0,0,0|2,0,0]=4 391 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)O WXVL_AK0748SB0051 [0,2,0,0,0,0|2,0,0]=4 392 B15R1.112 CC(=O)C(=O)NCCc1ccc(cc1)O WXVL_AK0748SB0051 [0,2,0,0,0,0|2,0,0]=4 393 B15R1.315 CCS(=O)(=O)NCCCc1ccccc1 WXVL_AK0074HU0028 [0,2,0,0,0,0|2,0,0]=4 394 B15R1.315 CCS(=O)(=O)NCCCc1ccccc1 WXVL_AK0074HU0028 [0,2,0,0,0,0|2,0,0]=4 395 B15R1.778 C#CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB3070 [0,2,0,0,0,0|1,0,0]=3 396 B15R1.778 C#CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB3070 [0,2,0,0,0,0|1,0,0]=3 397 B15R1.778 C#CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB3070 [0,2,0,0,0,0|2,0,0]=4 398 B15R1.778 C#CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB3070 [0,2,0,0,0,0|2,0,0]=4 399 B15R1.778 C#CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB3070 [0,2,0,0,0,0|2,0,0]=4 400 B15R1.778 C#CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB3070 [0,2,0,0,0,0|2,0,0]=4 401 B15R1.778 C#CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB3070 [0,2,0,0,0,0|2,0,0]=4 402 B15R1.778 C#CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB3070 [0,2,0,0,0,0|2,0,0]=4 403 B15R1.778 C#CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB3070 [0,2,0,0,0,0|2,0,0]=4 404 B15R1.778 C#CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB3070 [0,2,0,0,0,0|2,0,0]=4 405 B15R1.778 C/C=C/C(=O)NCCCc1ccccc1 WXVL_AK0074SB0340 [0,2,0,0,0,0|1,0,0]=3 406 B15R1.778 C/C=C/C(=O)NCCCc1ccccc1 WXVL_AK0074SB0340 [0,2,0,0,0,0|1,0,0]=3 407 B15R1.778 C/C=C/C(=O)NCCCc1cccnc1 WXVL_AK2339SB0340 [0,2,0,0,0,0|2,0,0]=4 408 B15R1.778 C/C=C/C(=O)NCCCc1cccnc1 WXVL_AK2339SB0340 [0,2,0,0,0,0|2,0,0]=4 409 B15R1.778 C/C=C/C(=O)NCCCc1ccncc1 WXVL_AK1251SB0340 [0,2,0,0,0,0|2,0,0]=4 410 B15R1.778 C/C=C/C(=O)NCCCc1ccncc1 WXVL_AK1251SB0340 [0,2,0,0,0,0|2,0,0]=4 411 B15R1.778 C/C=C/C(=O)NCCNc1ccccc1 WXVL_AK2478SB0340 [0,2,0,0,0,0|2,0,0]=4 412 B15R1.778 C/C=C/C(=O)NCCNc1ccccc1 WXVL_AK2478SB0340 [0,2,0,0,0,0|2,0,0]=4 413 B15R1.778 C/C=C/C(=O)NCCOc1ccccc1 WXVL_AK0103SB0340 [0,2,0,0,0,0|2,0,0]=4 414 B15R1.778 C/C=C/C(=O)NCCOc1ccccc1 WXVL_AK0103SB0340 [0,2,0,0,0,0|2,0,0]=4 415 B15R1.778 C=CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB2732 [0,2,0,0,0,0|1,0,0]=3 416 B15R1.778 C=CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB2732 [0,2,0,0,0,0|1,0,0]=3 417 B15R1.778 C=CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB2732 [0,2,0,0,0,0|2,0,0]=4 418 B15R1.778 C=CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB2732 [0,2,0,0,0,0|2,0,0]=4 419 B15R1.778 C=CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB2732 [0,2,0,0,0,0|2,0,0]=4 420 B15R1.778 C=CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB2732 [0,2,0,0,0,0|2,0,0]=4 421 B15R1.778 C=CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB2732 [0,2,0,0,0,0|2,0,0]=4 422 B15R1.778 C=CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB2732 [0,2,0,0,0,0|2,0,0]=4 423 B15R1.778 C=CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB2732 [0,2,0,0,0,0|2,0,0]=4 424 B15R1.778 C=CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB2732 [0,2,0,0,0,0|2,0,0]=4 425 B15R1.778 CC#CC(=O)NCCCc1ccccc1 WXVL_AK0074SB1240 [0,2,0,0,0,0|1,0,0]=3 426 B15R1.778 CC#CC(=O)NCCCc1ccccc1 WXVL_AK0074SB1240 [0,2,0,0,0,0|1,0,0]=3 427 B15R1.778 CC#CC(=O)NCCCc1cccnc1 WXVL_AK2339SB1240 [0,2,0,0,0,0|2,0,0]=4 428 B15R1.778 CC#CC(=O)NCCCc1cccnc1 WXVL_AK2339SB1240 [0,2,0,0,0,0|2,0,0]=4 429 B15R1.778 CC#CC(=O)NCCCc1ccncc1 WXVL_AK1251SB1240 [0,2,0,0,0,0|2,0,0]=4 430 B15R1.778 CC#CC(=O)NCCCc1ccncc1 WXVL_AK1251SB1240 [0,2,0,0,0,0|2,0,0]=4 431 B15R1.778 CC#CC(=O)NCCNc1ccccc1 WXVL_AK2478SB1240 [0,2,0,0,0,0|2,0,0]=4 432 B15R1.778 CC#CC(=O)NCCNc1ccccc1 WXVL_AK2478SB1240 [0,2,0,0,0,0|2,0,0]=4 433 B15R1.778 CC#CC(=O)NCCOc1ccccc1 WXVL_AK0103SB1240 [0,2,0,0,0,0|2,0,0]=4 434 B15R1.778 CC#CC(=O)NCCOc1ccccc1 WXVL_AK0103SB1240 [0,2,0,0,0,0|2,0,0]=4 435 B15R1.778 CCCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0073 [0,2,0,0,0,0|1,0,0]=3 436 B15R1.778 CCCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0073 [0,2,0,0,0,0|1,0,0]=3 437 B15R1.778 CCCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0073 [0,2,0,0,0,0|2,0,0]=4 438 B15R1.778 CCCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0073 [0,2,0,0,0,0|2,0,0]=4 439 B15R1.778 CCCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0073 [0,2,0,0,0,0|2,0,0]=4 440 B15R1.778 CCCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0073 [0,2,0,0,0,0|2,0,0]=4 441 B15R1.778 CCCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0073 [0,2,0,0,0,0|2,0,0]=4 442 B15R1.778 CCCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0073 [0,2,0,0,0,0|2,0,0]=4 443 B15R1.778 CCCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0073 [0,2,0,0,0,0|2,0,0]=4 444 B15R1.778 CCCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0073 [0,2,0,0,0,0|2,0,0]=4 445 B15R1.778 CCNC(=O)CCCCc1ccccc1 WXVL_AK00476SB0460 [0,2,0,0,0,0|1,0,0]=3 446 B15R1.778 CCNC(=O)CCCCc1ccccc1 WXVL_AK00476SB0460 [0,2,0,0,0,0|1,0,0]=3 447 B15R1.778 COCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0090 [0,2,0,0,0,0|1,0,0]=3 448 B15R1.778 COCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0090 [0,2,0,0,0,0|1,0,0]=3 449 B15R1.778 COCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0090 [0,2,0,0,0,0|2,0,0]=4 450 B15R1.778 COCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0090 [0,2,0,0,0,0|2,0,0]=4 451 B15R1.778 COCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0090 [0,2,0,0,0,0|2,0,0]=4 452 B15R1.778 COCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0090 [0,2,0,0,0,0|2,0,0]=4 453 B15R1.778 COCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0090 [0,2,0,0,0,0|2,0,0]=4 454 B15R1.778 COCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0090 [0,2,0,0,0,0|2,0,0]=4 455 B15R1.778 COCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0090 [0,2,0,0,0,0|2,0,0]=4 456 B15R1.778 COCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0090 [0,2,0,0,0,0|2,0,0]=4 457 B15R1.778 CSCC(=O)NCCCc1ccccc1 WXVL_AK0074SB1267 [0,2,0,0,0,0|1,0,0]=3 458 B15R1.778 CSCC(=O)NCCCc1ccccc1 WXVL_AK0074SB1267 [0,2,0,0,0,0|1,0,0]=3 459 B15R1.778 CSCC(=O)NCCCc1cccnc1 WXVL_AK2339SB1267 [0,2,0,0,0,0|2,0,0]=4 460 B15R1.778 CSCC(=O)NCCCc1cccnc1 WXVL_AK2339SB1267 [0,2,0,0,0,0|2,0,0]=4 461 B15R1.778 CSCC(=O)NCCCc1ccncc1 WXVL_AK1251SB1267 [0,2,0,0,0,0|2,0,0]=4 462 B15R1.778 CSCC(=O)NCCCc1ccncc1 WXVL_AK1251SB1267 [0,2,0,0,0,0|2,0,0]=4 463 B15R1.778 CSCC(=O)NCCNc1ccccc1 WXVL_AK2478SB1267 [0,2,0,0,0,0|2,0,0]=4 464 B15R1.778 CSCC(=O)NCCNc1ccccc1 WXVL_AK2478SB1267 [0,2,0,0,0,0|2,0,0]=4 465 B15R1.778 CSCC(=O)NCCOc1ccccc1 WXVL_AK0103SB1267 [0,2,0,0,0,0|2,0,0]=4 466 B15R1.778 CSCC(=O)NCCOc1ccccc1 WXVL_AK0103SB1267 [0,2,0,0,0,0|2,0,0]=4 467 B15R1.778 N#CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0057 [0,2,0,0,0,0|1,0,0]=3 468 B15R1.778 N#CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0057 [0,2,0,0,0,0|1,0,0]=3 469 B15R1.778 N#CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0057 [0,2,0,0,0,0|2,0,0]=4 470 B15R1.778 N#CCC(=O)NCCCc1cccnc1 WXVL_AK2339SB0057 [0,2,0,0,0,0|2,0,0]=4 471 B15R1.778 N#CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0057 [0,2,0,0,0,0|2,0,0]=4 472 B15R1.778 N#CCC(=O)NCCCc1ccncc1 WXVL_AK1251SB0057 [0,2,0,0,0,0|2,0,0]=4 473 B15R1.778 N#CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0057 [0,2,0,0,0,0|2,0,0]=4 474 B15R1.778 N#CCC(=O)NCCNc1ccccc1 WXVL_AK2478SB0057 [0,2,0,0,0,0|2,0,0]=4 475 B15R1.778 N#CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0057 [0,2,0,0,0,0|2,0,0]=4 476 B15R1.778 N#CCC(=O)NCCOc1ccccc1 WXVL_AK0103SB0057 [0,2,0,0,0,0|2,0,0]=4 477 B15R1.1321 C#CC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0338 [0,2,0,0,0,0|1,0,1]=4 478 B15R1.1321 C#CC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0338 [0,2,0,0,0,0|1,0,1]=4 479 B15R1.1321 CCC(=O)C(=O)NCCc1ccccc1 WXVL_AK00498SB0344 [0,2,0,0,0,0|2,0,0]=4 480 B15R1.1321 CCC(=O)C(=O)NCCc1ccccc1 WXVL_AK00498SB0344 [0,2,0,0,0,0|2,0,0]=4 481 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0064 [0,2,0,0,0,0|1,0,0]=3 482 B15R1.1321 CCC(=O)N(C)CCCc1ccccc1 WXVL_AN2288SB0064 [0,2,0,0,0,0|1,0,0]=3 483 B15R1.1321 CN(CCCc1ccccc1)C(=O)CO WXVL_AN2288SB2706 [0,2,0,0,0,0|1,0,0]=3 484 B15R1.1321 CN(CCCc1ccccc1)C(=O)CO WXVL_AN2288SB2706 [0,2,0,0,0,0|1,0,0]=3 485 B13R2.72 NC(=O)C1CCc2c1cccc2 WXVL_AK0084SB3073 [0,0,0,1,1,0|1,0,0]=3 486 B13R2.72 NC(=O)C1CCc2c1cccc2 WXVL_AK0084SB3073 [0,0,0,1,1,0|1,0,0]=3 487 B13R2.423 NC(=O)C1CC1c2ccccc2 WXVL_AK0084SB2474 [0,0,0,1,1,0|1,0,0]=3 488 B13R2.423 NC(=O)C1CC1c2ccccc2 WXVL_AK0084SB2474 [0,0,0,1,1,0|1,0,0]=3 489 B13R2.423 NC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK0084SB3176 [0,0,0,1,1,0|1,0,0]=3 490 B13R2.423 NC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK0084SB3176 [0,0,0,1,1,0|1,0,0]=3 491 B15R2.63 CC(=O)N1CCCC1c2ccccc2 WXVL_AN2347SB0150 [0,0,0,1,0,1|1,0,0]=3 492 B15R2.63 CC(=O)N1CCCC1c2ccccc2 WXVL_AN2347SB0150 [0,0,0,1,0,1|1,0,0]=3 493 B15R2.63 CC(=O)N1CCCC1c2ccncc2 WXVL_AN2387SB0150 [0,0,0,1,0,1|2,0,0]=4 494 B15R2.63 CC(=O)N1CCC[C@H]1c2ccccc2 WXVL_AN00549SB0150 [0,0,0,1,0,1|1,0,0]=3 495 B15R2.63 CC(=O)N1CCC[C@H]1c2cccnc2 WXVL_AN00571SB0150 [0,0,0,1,0,1|2,0,0]=4 496 B15R2.68122 CC(=O)NC1COCc2c1cccc2 WXVL_AK3889SB0150 [0,0,0,1,0,1|1,0,0]=3 497 B15R2.68122 CC(=O)NC1COCc2c1cccc2 WXVL_AK3889SB0150 [0,0,0,1,0,1|1,0,0]=3 498 B15R2.68122 CC(=O)N[C@@H]1CCCc2c1cccc2 WXVL_AK0134SB0150 [0,0,0,1,0,1|1,0,0]=3 499 B15R2.68122 CC(=O)N[C@@H]1CCCc2c1cccc2 WXVL_AK0134SB0150 [0,0,0,1,0,1|1,0,0]=3 500 B15R2.68122 NC(=O)CC1OCCc2c1cccc2 WXVL_AK0084SBB763 [0,0,0,1,0,1|2,0,0]=4 501 B15R2.68122 NC(=O)CC1OCCc2c1cccc2 WXVL_AK0084SBB763 [0,0,0,1,0,1|2,0,0]=4 502 B15R2.1237 CC(=O)N1CCCc2ccccc2C1 WXVL_AN2963SB0150 [0,1,0,1,0,0|1,0,0]=3 503 B15R2.1237 CC(=O)N1CCCc2ccccc2C1 WXVL_AN2963SB0150 [0,1,0,1,0,0|1,0,0]=3 504 B15R2.1237 CC(=O)N1CCOc2ccccc2C1 WXVL_AN2390SB0150 [0,1,0,1,0,0|2,0,0]=4 505 B15R2.1660 CC(=O)NCC1Cc2ccccc2C1 WXVL_AK4882SB0150 [0,1,0,1,0,0|1,0,0]=3 506 B15R2.1660 CC(=O)NCC1Cc2ccccc2C1 WXVL_AK4882SB0150 [0,1,0,1,0,0|1,0,0]=3 507 B15R2.1668 CC(=O)NC1CCc2ccccc2C1 WXVL_AK00343SB0150 [0,1,0,1,0,0|1,0,0]=3 508 B15R2.1668 CC(=O)NC1CCc2ccccc2C1 WXVL_AK00343SB0150 [0,1,0,1,0,0|1,0,0]=3 509 B15R2.13587 CC(=O)N[C@H]1CCc2c1cccc2Br WXVL_AK00324SB0150 [0,1,0,1,0,0|1,0,0]=3 510 B15R2.13587 CC(=O)N[C@H]1CCc2c1cccc2Br WXVL_AK00324SB0150 [0,1,0,1,0,0|1,0,0]=3 511 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 WXVL_AN00346SB0150 [0,1,0,1,0,0|1,0,0]=3 512 B15R2.59 CC(=O)N1CCC(C1)c2ccccc2 WXVL_AN00346SB0150 [0,1,0,1,0,0|1,0,0]=3 513 B15R2.59 CC(=O)N1CCC(C1)c2ccncc2 WXVL_AN2314SB0150 [0,1,0,1,0,0|2,0,0]=4 514 B15R2.59 CC(=O)N1CCC(C1)c2ccncc2 WXVL_AN2314SB0150 [0,1,0,1,0,0|2,0,0]=4 515 B15R2.1224 CC(=O)NC1CC(C1)c2ccccc2 WXVL_AK2731SB0150 [0,1,0,1,0,0|1,0,0]=3 516 B15R2.1224 CC(=O)NC1CC(C1)c2ccccc2 WXVL_AK2731SB0150 [0,1,0,1,0,0|1,0,0]=3 517 B15R2.993 CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O WXVL_AK0738SB0150 [0,1,0,1,0,0|1,0,0]=3 518 B15R2.993 CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O WXVL_AK0738SB0150 [0,1,0,1,0,0|1,0,0]=3 519 B15R2.6974 CC(=O)NC1CC1c2ccc(cc2)Br WXVL_AK6624SB0150 [0,1,0,1,0,0|1,0,0]=3 520 B15R2.6974 CC(=O)NC1CC1c2ccc(cc2)Br WXVL_AK6624SB0150 [0,1,0,1,0,0|1,0,0]=3 521 B15R2.9410 CC(=O)NC1CCc2c1cc(cc2)Br WXVL_AK0489SB0150 [0,1,0,1,0,0|1,0,0]=3 522 B15R2.9410 CC(=O)NC1CCc2c1cc(cc2)Br WXVL_AK0489SB0150 [0,1,0,1,0,0|1,0,0]=3 523 B15R2.9410 CC(=O)NC1CCc2c1cc(cc2)Cl WXVL_AK2677SB0150 [0,1,0,1,0,0|1,0,0]=3 524 B15R2.9410 CC(=O)NC1CCc2c1cc(cc2)Cl WXVL_AK2677SB0150 [0,1,0,1,0,0|1,0,0]=3 525 B15R2.9410 CC(=O)NC1COc2c1cc(cc2)Cl WXVL_AK4863SB0150 [0,1,0,1,0,0|2,0,0]=4 526 B15R2.9410 CC(=O)NC1COc2c1cc(cc2)Cl WXVL_AK4863SB0150 [0,1,0,1,0,0|2,0,0]=4 527 B15R2.9410 CC(=O)N[C@@H]1CCc2c1cc(cc2)Br WXVL_AK00393SB0150 [0,1,0,1,0,0|1,0,0]=3 528 B15R2.9410 CC(=O)N[C@@H]1CCc2c1cc(cc2)Br WXVL_AK00393SB0150 [0,1,0,1,0,0|1,0,0]=3 529 B15R2.4 C#CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0338 [0,1,0,1,0,0|1,0,1]=4 530 B15R2.4 C#CC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0338 [0,1,0,1,0,0|1,0,1]=4 531 B15R2.4 C#CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0338 [0,1,0,1,0,0|1,0,1]=4 532 B15R2.4 C#CC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0338 [0,1,0,1,0,0|1,0,1]=4 533 B15R2.4 CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0064 [0,1,0,1,0,0|1,0,0]=3 534 B15R2.4 CCC(=O)NC1CCc2c1cccc2 WXVL_AK1156SB0064 [0,1,0,1,0,0|1,0,0]=3 535 B15R2.4 CCC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0064 [0,1,0,1,0,0|2,0,0]=4 536 B15R2.4 CCC(=O)NC1CCc2c1nccc2 WXVL_AK2236SB0064 [0,1,0,1,0,0|2,0,0]=4 537 B15R2.4 CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0064 [0,1,0,1,0,0|2,0,0]=4 538 B15R2.4 CCC(=O)NC1COc2c1cccc2 WXVL_AK2368SB0064 [0,1,0,1,0,0|2,0,0]=4 539 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0064 [0,1,0,1,0,0|1,0,0]=3 540 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB0064 [0,1,0,1,0,0|1,0,0]=3 541 B15R2.4 O=C(CO)NC1CCc2c1cccc2 WXVL_AK1156SB2706 [0,1,0,1,0,0|1,0,0]=3 542 B15R2.4 O=C(CO)NC1CCc2c1cccc2 WXVL_AK1156SB2706 [0,1,0,1,0,0|1,0,0]=3 543 B15R2.4 O=C(CO)NC1CCc2c1nccc2 WXVL_AK2236SB2706 [0,1,0,1,0,0|2,0,0]=4 544 B15R2.4 O=C(CO)NC1CCc2c1nccc2 WXVL_AK2236SB2706 [0,1,0,1,0,0|2,0,0]=4 545 B15R2.4 O=C(CO)NC1COc2c1cccc2 WXVL_AK2368SB2706 [0,1,0,1,0,0|2,0,0]=4 546 B15R2.4 O=C(CO)NC1COc2c1cccc2 WXVL_AK2368SB2706 [0,1,0,1,0,0|2,0,0]=4 547 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB2706 [0,1,0,1,0,0|1,0,0]=3 548 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 WXVL_AK00474SB2706 [0,1,0,1,0,0|1,0,0]=3 549 B15R2.1600 C#CC(=O)N1CCC1c2ccccc2 WXVL_AN3661SB0338 [0,1,0,1,0,0|1,0,1]=4 550 B15R2.1600 CCC(=O)N1CCC1c2ccccc2 WXVL_AN3661SB0064 [0,1,0,1,0,0|1,0,0]=3 551 B15R2.1600 O=C(CO)N1CCC1c2ccccc2 WXVL_AN3661SB2706 [0,1,0,1,0,0|1,0,0]=3 552 B15R2.79765 CNC(=O)[C@H]1CCCc2c1cccc2 WXVL_AK00442SB4181 [0,1,0,1,0,0|1,0,0]=3 553 B15R2.79765 CNC(=O)[C@H]1CCCc2c1cccc2 WXVL_AK00442SB4181 [0,1,0,1,0,0|1,0,0]=3 554 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,0,0,0,2,0|1,0,0]=3 555 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,0,0,0,2,0|1,0,0]=3 556 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,0,0,0,2,0|2,0,0]=4 557 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,0,0,0,2,0|2,0,0]=4 558 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,0,0,0,2,0|2,0,0]=4 559 B11R1.91 CC(=O)NCc1cccnc1 WXVL_AK0020SB0150 [0,0,0,0,2,0|2,0,0]=4 560 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,0,0,0,2,0|2,0,0]=4 561 B11R1.91 CC(=O)NCc1ccncc1 WXVL_AK0021SB0150 [0,0,0,0,2,0|2,0,0]=4 562 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,0,0,0,2,0|1,0,0]=3 563 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,0,0,0,2,0|1,0,0]=3 564 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [0,0,0,0,2,0|2,0,0]=4 565 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [0,0,0,0,2,0|2,0,0]=4 566 B11R1.91 NC(=O)CCc1cccnc1 WXVL_AK0084SA0031 [0,0,0,0,2,0|2,0,0]=4 567 B11R1.91 NC(=O)CCc1cccnc1 WXVL_AK0084SA0031 [0,0,0,0,2,0|2,0,0]=4 568 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,0,0,0,2,0|2,0,0]=4 569 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,0,0,0,2,0|2,0,0]=4 570 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,0,0,0,2,0|2,0,0]=4 571 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,0,0,0,2,0|2,0,0]=4 572 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,0,0,0,2,0|2,0,0]=4 573 B11R1.172 CC(=O)NCCc1ccco1 WXVL_AK0989SB0150 [0,0,0,0,2,0|2,0,0]=4 574 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,0,0,0,2,0|2,0,0]=4 575 B11R1.172 CC(=O)NCCc1cccs1 WXVL_AK0098SB0150 [0,0,0,0,2,0|2,0,0]=4 576 B11R1.172 CC(=O)NCCc1ccsc1 WXVL_AK1342SB0150 [0,0,0,0,2,0|2,0,0]=4 577 B11R1.172 CC(=O)NCCc1ccsc1 WXVL_AK1342SB0150 [0,0,0,0,2,0|2,0,0]=4 578 B11R1.172 CC(=O)NCCn1cccc1 WXVL_AK1188SB0150 [0,0,0,0,2,0|2,0,0]=4 579 B11R1.172 CC(=O)NCCn1cccc1 WXVL_AK1188SB0150 [0,0,0,0,2,0|2,0,0]=4 580 B11R1.172 NC(=O)CCCn1cccc1 WXVL_AK0084SA2501 [0,0,0,0,2,0|2,0,0]=4 581 B11R1.172 NC(=O)CCCn1cccc1 WXVL_AK0084SA2501 [0,0,0,0,2,0|2,0,0]=4 582 B15R1.504 CC(=O)NCCCOCc1ccccc1 WXVL_AK2136SB0150 [0,0,0,0,0,2|1,0,0]=3 583 B15R1.504 CC(=O)NCCCOCc1ccccc1 WXVL_AK2136SB0150 [0,0,0,0,0,2|1,0,0]=3