0 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 CCNC(=O)c1ccnnc1 WXVL_AK00476SC0064 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.16 CCNC(=O)c1ccnnc1 WXVL_AK00476SC0064 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.16 CCNC(=O)c1cncnc1 WXVL_AK00476SC0097 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 CCNC(=O)c1cncnc1 WXVL_AK00476SC0097 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 CNC(=O)c1ccnnc1 WXVL_AK00442SC0064 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.15 CNC(=O)c1ccnnc1 WXVL_AK00442SC0064 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 CNC(=O)c1cncnc1 WXVL_AK00442SC0097 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 CNC(=O)c1cncnc1 WXVL_AK00442SC0097 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.16 CCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00476SC0858 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.16 CCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00476SC0858 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.16 CCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00476SC2212 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.16 CCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00476SC2212 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.16 CCNC(=O)c1ccc(=O)oc1 WXVL_AK00476SC0132 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.16 CCNC(=O)c1ccc(=O)oc1 WXVL_AK00476SC0132 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.16 CCNC(=O)c1ccc(cc1)Br WXVL_AK00476SD0060 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.16 CCNC(=O)c1ccc(cc1)Br WXVL_AK00476SD0060 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.16 CCNC(=O)c1ccc(cc1)C WXVL_AK00476SD0078 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.16 CCNC(=O)c1ccc(cc1)C WXVL_AK00476SD0078 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.16 CCNC(=O)c1ccc(cc1)Cl WXVL_AK00476SD0062 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.16 CCNC(=O)c1ccc(cc1)Cl WXVL_AK00476SD0062 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.16 CCNC(=O)c1ccc(cc1)F WXVL_AK00476SD0061 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.16 CCNC(=O)c1ccc(cc1)F WXVL_AK00476SD0061 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.16 CCNC(=O)c1ccc(cc1)I WXVL_AK00476SD0421 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.16 CCNC(=O)c1ccc(cc1)I WXVL_AK00476SD0421 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.16 CCNC(=O)c1ccc(cc1)O WXVL_AK00476SD0069 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.16 CCNC(=O)c1ccc(cc1)O WXVL_AK00476SD0069 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.16 CCNC(=O)c1ccc(cc1)S WXVL_AK00476SD0154 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.16 CCNC(=O)c1ccc(cc1)S WXVL_AK00476SD0154 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.16 CCNC(=O)c1ccc(cn1)Br WXVL_AK00476SC0363 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.16 CCNC(=O)c1ccc(cn1)Br WXVL_AK00476SC0363 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.16 CCNC(=O)c1ccc(cn1)C WXVL_AK00476SC0104 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.16 CCNC(=O)c1ccc(cn1)C WXVL_AK00476SC0104 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.16 CCNC(=O)c1ccc(cn1)Cl WXVL_AK00476SC0381 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.16 CCNC(=O)c1ccc(cn1)Cl WXVL_AK00476SC0381 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.16 CCNC(=O)c1ccc(cn1)F WXVL_AK00476SC0114 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.16 CCNC(=O)c1ccc(cn1)F WXVL_AK00476SC0114 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.16 CCNC(=O)c1ccc(cn1)O WXVL_AK00476SC0130 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.16 CCNC(=O)c1ccc(cn1)O WXVL_AK00476SC0130 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.16 CCNC(=O)c1ccc(nc1)Br WXVL_AK00476SC0352 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.16 CCNC(=O)c1ccc(nc1)Br WXVL_AK00476SC0352 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.16 CCNC(=O)c1ccc(nc1)C WXVL_AK00476SC0060 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.16 CCNC(=O)c1ccc(nc1)C WXVL_AK00476SC0060 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.16 CCNC(=O)c1ccc(nc1)Cl WXVL_AK00476SC0147 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.16 CCNC(=O)c1ccc(nc1)Cl WXVL_AK00476SC0147 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.16 CCNC(=O)c1ccc(nc1)F WXVL_AK00476SC0370 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.16 CCNC(=O)c1ccc(nc1)F WXVL_AK00476SC0370 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.16 CCNC(=O)c1ccc(nc1)O WXVL_AK00476SC0057 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.16 CCNC(=O)c1ccc(nc1)O WXVL_AK00476SC0057 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.16 CCNC(=O)c1cnc(cn1)C WXVL_AK00476SC0072 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.16 CCNC(=O)c1cnc(cn1)C WXVL_AK00476SC0072 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.16 CCNC(=O)c1cnc(cn1)Cl WXVL_AK00476SC0383 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.16 CCNC(=O)c1cnc(cn1)Cl WXVL_AK00476SC0383 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.16 CCNC(=O)c1cnc(nc1)C WXVL_AK00476SC0032 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.16 CCNC(=O)c1cnc(nc1)C WXVL_AK00476SC0032 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.16 CCNC(=O)c1cnc(nc1)Cl WXVL_AK00476SC0148 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.16 CCNC(=O)c1cnc(nc1)Cl WXVL_AK00476SC0148 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.16 CCNC(=O)c1ncc(cn1)Cl WXVL_AK00476SC0029 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.16 CCNC(=O)c1ncc(cn1)Cl WXVL_AK00476SC0029 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.17 CCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00476SC0016 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.17 CCNC(=O)C1=CC=NC(=O)C1 WXVL_AK00476SC0016 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.17 CCNC(=O)c1cc(=O)cco1 WXVL_AK00476SC0133 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.17 CCNC(=O)c1cc(=O)cco1 WXVL_AK00476SC0133 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.17 CCNC(=O)c1cc(ccn1)Br WXVL_AK00476SC0243 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.17 CCNC(=O)c1cc(ccn1)Br WXVL_AK00476SC0243 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.17 CCNC(=O)c1cc(ccn1)C WXVL_AK00476SC0235 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.17 CCNC(=O)c1cc(ccn1)C WXVL_AK00476SC0235 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.17 CCNC(=O)c1cc(ccn1)Cl WXVL_AK00476SC0373 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.17 CCNC(=O)c1cc(ccn1)Cl WXVL_AK00476SC0373 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.17 CCNC(=O)c1cc(ncn1)Cl WXVL_AK00476SC0775 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.17 CCNC(=O)c1cc(ncn1)Cl WXVL_AK00476SC0775 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.17 CCNC(=O)c1cc(ncn1)O WXVL_AK00476SC0001 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.17 CCNC(=O)c1cc(ncn1)O WXVL_AK00476SC0001 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.17 CCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00476SC1039 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.17 CCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00476SC1039 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.17 CCNC(=O)c1cccc(c1)Br WXVL_AK00476SD0041 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.17 CCNC(=O)c1cccc(c1)Br WXVL_AK00476SD0041 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.17 CCNC(=O)c1cccc(c1)C WXVL_AK00476SD0056 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.17 CCNC(=O)c1cccc(c1)C WXVL_AK00476SD0056 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.17 CCNC(=O)c1cccc(c1)Cl WXVL_AK00476SD0045 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.17 CCNC(=O)c1cccc(c1)Cl WXVL_AK00476SD0045 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.17 CCNC(=O)c1cccc(c1)F WXVL_AK00476SD0043 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.17 CCNC(=O)c1cccc(c1)F WXVL_AK00476SD0043 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.17 CCNC(=O)c1cccc(c1)I WXVL_AK00476SD0405 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.17 CCNC(=O)c1cccc(c1)I WXVL_AK00476SD0405 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.17 CCNC(=O)c1cccc(c1)O WXVL_AK00476SD1724 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.17 CCNC(=O)c1cccc(c1)O WXVL_AK00476SD1724 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.17 CCNC(=O)c1cccc(n1)Br WXVL_AK00476SC0366 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.17 CCNC(=O)c1cccc(n1)Br WXVL_AK00476SC0366 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.17 CCNC(=O)c1cccc(n1)F WXVL_AK00476SC0386 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.17 CCNC(=O)c1cccc(n1)F WXVL_AK00476SC0386 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.17 CCNC(=O)c1cccc(n1)O WXVL_AK00476SC0084 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.17 CCNC(=O)c1cccc(n1)O WXVL_AK00476SC0084 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.17 CCNC(=O)c1ccnc(c1)Br WXVL_AK00476SC0349 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.17 CCNC(=O)c1ccnc(c1)Br WXVL_AK00476SC0349 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.17 CCNC(=O)c1ccnc(c1)C WXVL_AK00476SC0400 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.17 CCNC(=O)c1ccnc(c1)C WXVL_AK00476SC0400 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.17 CCNC(=O)c1ccnc(c1)Cl WXVL_AK00476SC0083 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.17 CCNC(=O)c1ccnc(c1)Cl WXVL_AK00476SC0083 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.17 CCNC(=O)c1ccnc(c1)F WXVL_AK00476SC0015 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.17 CCNC(=O)c1ccnc(c1)F WXVL_AK00476SC0015 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.17 CCNC(=O)c1ccnc(c1)O WXVL_AK00476SC0131 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.17 CCNC(=O)c1ccnc(c1)O WXVL_AK00476SC0131 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.17 CCNC(=O)c1ccnc(n1)C WXVL_AK00476SC0296 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.17 CCNC(=O)c1ccnc(n1)C WXVL_AK00476SC0296 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.17 CCNC(=O)c1ccnc(n1)Cl WXVL_AK00476SC0392 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.17 CCNC(=O)c1ccnc(n1)Cl WXVL_AK00476SC0392 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.17 CCNC(=O)c1cncc(c1)Br WXVL_AK00476SC0369 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.17 CCNC(=O)c1cncc(c1)Br WXVL_AK00476SC0369 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.17 CCNC(=O)c1cncc(c1)C WXVL_AK00476SC0095 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.17 CCNC(=O)c1cncc(c1)C WXVL_AK00476SC0095 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.17 CCNC(=O)c1cncc(c1)Cl WXVL_AK00476SC0291 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.17 CCNC(=O)c1cncc(c1)Cl WXVL_AK00476SC0291 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.17 CCNC(=O)c1cncc(c1)F WXVL_AK00476SC0102 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.17 CCNC(=O)c1cncc(c1)F WXVL_AK00476SC0102 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.17 CCNC(=O)c1cncc(c1)O WXVL_AK00476SC0333 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.17 CCNC(=O)c1cncc(c1)O WXVL_AK00476SC0333 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.17 CCNC(=O)c1cncc(n1)C WXVL_AK00476SC0391 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.17 CCNC(=O)c1cncc(n1)C WXVL_AK00476SC0391 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.17 CCNC(=O)c1cnnc(c1)Cl WXVL_AK00476SC0966 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.17 CCNC(=O)c1cnnc(c1)Cl WXVL_AK00476SC0966 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.17 CCNC(=O)c1cnnc(c1)O WXVL_AK00476SC0795 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.17 CCNC(=O)c1cnnc(c1)O WXVL_AK00476SC0795 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.30 C=CCNC(=O)c1ccccc1 WXVL_AK00561SD0001 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.30 C=CCNC(=O)c1ccccc1 WXVL_AK00561SD0001 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.30 C=CCNC(=O)c1ccccn1 WXVL_AK00561SC0058 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.30 C=CCNC(=O)c1ccccn1 WXVL_AK00561SC0058 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.30 C=CCNC(=O)c1cccnc1 WXVL_AK00561SC0061 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.30 C=CCNC(=O)c1cccnc1 WXVL_AK00561SC0061 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.30 C=CCNC(=O)c1ccncc1 WXVL_AK00561SC0062 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.30 C=CCNC(=O)c1ccncc1 WXVL_AK00561SC0062 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.30 CCCNC(=O)c1cccnc1 WXVL_AK00504SC0061 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.30 CCCNC(=O)c1ccncc1 WXVL_AK00504SC0062 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.30 CCCNC(=O)c1ccnnc1 WXVL_AK00504SC0064 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.30 CCCNC(=O)c1ccnnc1 WXVL_AK00504SC0064 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.30 CCCNC(=O)c1cncnc1 WXVL_AK00504SC0097 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.30 CCCNC(=O)c1cncnc1 WXVL_AK00504SC0097 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.30 N#CCNC(=O)c1ccccc1 WXVL_AK0683SD0001 [0,1,0,0,0,0|1,0,1]=3 177 B12R1.30 N#CCNC(=O)c1ccccc1 WXVL_AK0683SD0001 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.30 N#CCNC(=O)c1ccccn1 WXVL_AK0683SC0058 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.30 N#CCNC(=O)c1ccccn1 WXVL_AK0683SC0058 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.30 N#CCNC(=O)c1cccnc1 WXVL_AK0683SC0061 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.30 N#CCNC(=O)c1cccnc1 WXVL_AK0683SC0061 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.30 N#CCNC(=O)c1ccncc1 WXVL_AK0683SC0062 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.30 N#CCNC(=O)c1ccncc1 WXVL_AK0683SC0062 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.30 O=C(NCCF)c1cccnc1 WXVL_AK00466SC0061 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.30 O=C(NCCF)c1cccnc1 WXVL_AK00466SC0061 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.30 O=C(NCCF)c1cccnn1 WXVL_AK00466SC0374 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.30 O=C(NCCF)c1cccnn1 WXVL_AK00466SC0374 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.30 O=C(NCCF)c1ccncc1 WXVL_AK00466SC0062 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.30 O=C(NCCF)c1ccncc1 WXVL_AK00466SC0062 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.30 O=C(NCCF)c1ccncn1 WXVL_AK00466SC0231 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.30 O=C(NCCF)c1ccncn1 WXVL_AK00466SC0231 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.30 O=C(NCCF)c1ccnnc1 WXVL_AK00466SC0064 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.30 O=C(NCCF)c1ccnnc1 WXVL_AK00466SC0064 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.30 O=C(NCCF)c1cncnc1 WXVL_AK00466SC0097 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.30 O=C(NCCF)c1cncnc1 WXVL_AK00466SC0097 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.30 O=C(NCCF)c1ncccn1 WXVL_AK00466SC0096 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.30 O=C(NCCF)c1ncccn1 WXVL_AK00466SC0096 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.34 CNC(=O)C(=O)c1ccccc1 WXVL_AK00442SB0050 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.34 CNC(=O)C(=O)c1ccccc1 WXVL_AK00442SB0050 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.39 CCNS(=O)(=O)c1ccccn1 WXVL_AK00476HU0098 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.39 CCNS(=O)(=O)c1ccccn1 WXVL_AK00476HU0098 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.39 CCNS(=O)(=O)c1cccnc1 WXVL_AK00476HU0127 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.39 CCNS(=O)(=O)c1cccnc1 WXVL_AK00476HU0127 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.39 CCNS(=O)(=O)c1ccncc1 WXVL_AK00476HU0382 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.39 CCNS(=O)(=O)c1ccncc1 WXVL_AK00476HU0382 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.107 CC(C)NC(=O)c1ccccc1 WXVL_AK0030SD0001 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.107 CC(C)NC(=O)c1ccccc1 WXVL_AK0030SD0001 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.107 CC(C)NC(=O)c1ccccn1 WXVL_AK0030SC0058 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.107 CC(C)NC(=O)c1ccccn1 WXVL_AK0030SC0058 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.107 CC(C)NC(=O)c1cccnc1 WXVL_AK0030SC0061 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.107 CC(C)NC(=O)c1cccnc1 WXVL_AK0030SC0061 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.107 CC(C)NC(=O)c1cccnn1 WXVL_AK0030SC0374 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.107 CC(C)NC(=O)c1cccnn1 WXVL_AK0030SC0374 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.107 CC(C)NC(=O)c1ccncc1 WXVL_AK0030SC0062 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.107 CC(C)NC(=O)c1ccncc1 WXVL_AK0030SC0062 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.107 CC(C)NC(=O)c1ccncn1 WXVL_AK0030SC0231 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.107 CC(C)NC(=O)c1ccncn1 WXVL_AK0030SC0231 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.107 CC(C)NC(=O)c1ccnnc1 WXVL_AK0030SC0064 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.107 CC(C)NC(=O)c1ccnnc1 WXVL_AK0030SC0064 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.107 CC(C)NC(=O)c1cncnc1 WXVL_AK0030SC0097 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.107 CC(C)NC(=O)c1cncnc1 WXVL_AK0030SC0097 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.107 CC(C)NC(=O)c1ncccn1 WXVL_AK0030SC0096 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.107 CC(C)NC(=O)c1ncccn1 WXVL_AK0030SC0096 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.308 CCNC(=O)C1C=CCC=C1C WXVL_AK00476SB0380 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.308 CCNC(=O)C1C=CCC=C1C WXVL_AK00476SB0380 [0,1,0,0,0,0|1,0,2]=4 230 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.308 CCNC(=O)c1ccccc1Br WXVL_AK00476SD0002 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.308 CCNC(=O)c1ccccc1C WXVL_AK00476SD0037 [0,1,0,0,0,0|1,0,0]=2 233 B12R1.308 CCNC(=O)c1ccccc1C WXVL_AK00476SD0037 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.308 CCNC(=O)c1ccccc1Cl WXVL_AK00476SD0006 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.308 CCNC(=O)c1ccccc1Cl WXVL_AK00476SD0006 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.308 CCNC(=O)c1ccccc1F WXVL_AK00476SD0003 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.308 CCNC(=O)c1ccccc1F WXVL_AK00476SD0003 [0,1,0,0,0,0|1,0,0]=2 238 B12R1.308 CCNC(=O)c1ccccc1I WXVL_AK00476SD0303 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.308 CCNC(=O)c1ccccc1I WXVL_AK00476SD0303 [0,1,0,0,0,0|1,0,0]=2 240 B12R1.308 CCNC(=O)c1ccccc1O WXVL_AK00476SD00056 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.308 CCNC(=O)c1ccccc1O WXVL_AK00476SD00056 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.308 CCNC(=O)c1ccccc1S WXVL_AK00476SD0153 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.308 CCNC(=O)c1ccccc1S WXVL_AK00476SD0153 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.308 CCNC(=O)c1cccnc1Br WXVL_AK00476SC0367 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.308 CCNC(=O)c1cccnc1Br WXVL_AK00476SC0367 [0,1,0,0,0,0|2,0,0]=3 246 B12R1.308 CCNC(=O)c1cccnc1C WXVL_AK00476SC0065 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.308 CCNC(=O)c1cccnc1C WXVL_AK00476SC0065 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.308 CCNC(=O)c1cccnc1Cl WXVL_AK00476SC0146 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.308 CCNC(=O)c1cccnc1Cl WXVL_AK00476SC0146 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.308 CCNC(=O)c1cccnc1F WXVL_AK00476SC0350 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.308 CCNC(=O)c1cccnc1F WXVL_AK00476SC0350 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.308 CCNC(=O)c1cccnc1O WXVL_AK00476SC0063 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.308 CCNC(=O)c1cccnc1O WXVL_AK00476SC0063 [0,1,0,0,0,0|2,0,0]=3 254 B12R1.308 CCNC(=O)c1ccncc1Br WXVL_AK00476SC0365 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.308 CCNC(=O)c1ccncc1Br WXVL_AK00476SC0365 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.308 CCNC(=O)c1ccncc1Cl WXVL_AK00476SC0375 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.308 CCNC(=O)c1ccncc1Cl WXVL_AK00476SC0375 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.308 CCNC(=O)c1ccncc1F WXVL_AK00476SC0320 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.308 CCNC(=O)c1ccncc1F WXVL_AK00476SC0320 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.308 CCNC(=O)c1ccncc1O WXVL_AK00476SC0354 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.308 CCNC(=O)c1ccncc1O WXVL_AK00476SC0354 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.308 CCNC(=O)c1ccnnc1O WXVL_AK00476SC0899 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.308 CCNC(=O)c1ccnnc1O WXVL_AK00476SC0899 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.308 CCNC(=O)c1cnccc1Br WXVL_AK00476SC0500 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.308 CCNC(=O)c1cnccc1Br WXVL_AK00476SC0500 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.308 CCNC(=O)c1cnccc1C WXVL_AK00476SC0301 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.308 CCNC(=O)c1cnccc1C WXVL_AK00476SC0301 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.308 CCNC(=O)c1cnccc1Cl WXVL_AK00476SC0340 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.308 CCNC(=O)c1cnccc1Cl WXVL_AK00476SC0340 [0,1,0,0,0,0|2,0,0]=3 270 B12R1.308 CCNC(=O)c1cncnc1C WXVL_AK00476SC0515 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.308 CCNC(=O)c1cncnc1C WXVL_AK00476SC0515 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.308 CCNC(=O)c1cnncc1C WXVL_AK00476SC0973 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.308 CCNC(=O)c1cnncc1C WXVL_AK00476SC0973 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.308 CCNC(=O)c1ncccc1Br WXVL_AK00476SC0501 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.308 CCNC(=O)c1ncccc1Br WXVL_AK00476SC0501 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.308 CCNC(=O)c1ncccc1C WXVL_AK00476SC0008 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.308 CCNC(=O)c1ncccc1C WXVL_AK00476SC0008 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.308 CCNC(=O)c1ncccc1Cl WXVL_AK00476SC0609 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.308 CCNC(=O)c1ncccc1Cl WXVL_AK00476SC0609 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.308 CCNC(=O)c1ncccc1F WXVL_AK00476SC0773 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.308 CCNC(=O)c1ncccc1F WXVL_AK00476SC0773 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.308 CCNC(=O)c1nccnc1Br WXVL_AK00476SC0785 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.308 CCNC(=O)c1nccnc1Br WXVL_AK00476SC0785 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.308 CCNC(=O)c1nccnc1Cl WXVL_AK00476SC0361 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.308 CCNC(=O)c1nccnc1Cl WXVL_AK00476SC0361 [0,1,0,0,0,0|3,0,0]=4 286 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,0,1,0,0,0|2,0,1]=4 287 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,0,1,0,0,0|2,0,1]=4 288 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,0,0,0,1,0|3,0,0]=4 289 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,0,0,0,1,0|3,0,0]=4 290 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,0,0,0,1,0|2,0,0]=3 291 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,0,0,0,1,0|2,0,0]=3 292 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,0,0,0,1,0|3,0,0]=4 293 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,0,0,0,1,0|3,0,0]=4 294 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,0,1,0|2,0,0]=3 295 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,0,0,0,1,0|2,0,0]=3 296 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,0,1,0|2,0,0]=3 297 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,0,0,0,1,0|2,0,0]=3 298 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,0,1,0|3,0,0]=4 299 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,0,0,0,1,0|3,0,0]=4 300 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,0,0,0,1,0|3,0,0]=4 301 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,0,0,0,1,0|3,0,0]=4 302 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,0,0,0,1,0|2,0,0]=3 303 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,0,0,0,1,0|2,0,0]=3 304 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,0,0,0,1,0|3,0,0]=4 305 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,0,0,0,1,0|3,0,0]=4 306 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,0,0,0,1,0|2,0,0]=3 307 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,0,0,0,1,0|2,0,0]=3 308 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,0,0,0,1,0|3,0,0]=4 309 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,0,0,0,1,0|3,0,0]=4 310 B10R1.11 CCNC(=O)c1cn[nH]c1 WXVL_AK00476SC0254 [0,0,0,0,1,0|3,0,0]=4 311 B10R1.11 CCNC(=O)c1cn[nH]c1 WXVL_AK00476SC0254 [0,0,0,0,1,0|3,0,0]=4 312 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,0,0,0,1,0|3,0,0]=4 313 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,0,0,0,1,0|3,0,0]=4 314 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,0,1,0|3,0,0]=4 315 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,0,0,0,1,0|3,0,0]=4 316 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,0,0,0,1,0|3,0,0]=4 317 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,0,0,0,1,0|3,0,0]=4 318 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,0,0,0,1,0|3,0,0]=4 319 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,0,0,0,1,0|3,0,0]=4 320 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,0,0,0,1,0|3,0,0]=4 321 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,0,0,0,1,0|3,0,0]=4 322 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,0,0,0,1,0|3,0,0]=4 323 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,0,0,0,1,0|3,0,0]=4 324 B12R1.32 C#CCC(=O)Nc1ccccc1 WXVL_AG00183SB3070 [0,0,0,0,0,1|1,0,2]=4 325 B12R1.32 C#CCC(=O)Nc1ccccc1 WXVL_AG00183SB3070 [0,0,0,0,0,1|1,0,2]=4 326 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [0,0,0,0,0,1|1,0,1]=3 327 B12R1.32 C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0340 [0,0,0,0,0,1|1,0,1]=3 328 B12R1.32 C/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0340 [0,0,0,0,0,1|2,0,1]=4 329 B12R1.32 C/C=C/C(=O)Nc1ccccn1 WXVL_AF00298SB0340 [0,0,0,0,0,1|2,0,1]=4 330 B12R1.32 C=CCC(=O)Nc1ccccc1 WXVL_AG00183SB2732 [0,0,0,0,0,1|1,0,2]=4 331 B12R1.32 C=CCC(=O)Nc1ccccc1 WXVL_AG00183SB2732 [0,0,0,0,0,1|1,0,2]=4 332 B12R1.32 CC#CC(=O)Nc1ccccc1 WXVL_AG00183SB1240 [0,0,0,0,0,1|1,0,1]=3 333 B12R1.32 CC#CC(=O)Nc1ccccc1 WXVL_AG00183SB1240 [0,0,0,0,0,1|1,0,1]=3 334 B12R1.32 CC#CC(=O)Nc1ccccn1 WXVL_AF00298SB1240 [0,0,0,0,0,1|2,0,1]=4 335 B12R1.32 CC#CC(=O)Nc1ccccn1 WXVL_AF00298SB1240 [0,0,0,0,0,1|2,0,1]=4 336 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,0,0,0,0,1|1,0,0]=2 337 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,0,0,0,0,1|1,0,0]=2 338 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,0,0,0,0,1|2,0,0]=3 339 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,0,0,0,0,1|2,0,0]=3 340 B12R1.32 CCCC(=O)Nc1cccnn1 WXVL_AF0151SB0073 [0,0,0,0,0,1|3,0,0]=4 341 B12R1.32 CCCC(=O)Nc1cccnn1 WXVL_AF0151SB0073 [0,0,0,0,0,1|3,0,0]=4 342 B12R1.32 CCCC(=O)Nc1ccncn1 WXVL_AF0139SB0073 [0,0,0,0,0,1|3,0,0]=4 343 B12R1.32 CCCC(=O)Nc1ccncn1 WXVL_AF0139SB0073 [0,0,0,0,0,1|3,0,0]=4 344 B12R1.32 CCCC(=O)Nc1ccnnc1 WXVL_AF0624SB0073 [0,0,0,0,0,1|3,0,0]=4 345 B12R1.32 CCCC(=O)Nc1ccnnc1 WXVL_AF0624SB0073 [0,0,0,0,0,1|3,0,0]=4 346 B12R1.32 CCCC(=O)Nc1cnccn1 WXVL_AF0120SB0073 [0,0,0,0,0,1|3,0,0]=4 347 B12R1.32 CCCC(=O)Nc1cnccn1 WXVL_AF0120SB0073 [0,0,0,0,0,1|3,0,0]=4 348 B12R1.32 CCCC(=O)Nc1cncnc1 WXVL_AF0085SB0073 [0,0,0,0,0,1|3,0,0]=4 349 B12R1.32 CCCC(=O)Nc1cncnc1 WXVL_AF0085SB0073 [0,0,0,0,0,1|3,0,0]=4 350 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,0,0,0,0,1|1,0,0]=2 351 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,0,0,0,0,1|1,0,0]=2 352 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,0,0,0,0,1|2,0,0]=3 353 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,0,0,0,0,1|2,0,0]=3 354 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,0,0,0,0,1|2,0,0]=3 355 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SA0029 [0,0,0,0,0,1|2,0,0]=3 356 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,0,0,0,0,1|2,0,0]=3 357 B12R1.32 CCNC(=O)Cc1cccnc1 WXVL_AK00476SB00049 [0,0,0,0,0,1|2,0,0]=3 358 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,0,0,0,0,1|2,0,0]=3 359 B12R1.32 CCNC(=O)Cc1ccncc1 WXVL_AK00476SA00106 [0,0,0,0,0,1|2,0,0]=3 360 B12R1.32 CCNC(=O)Cc1cncnc1 WXVL_AK00476SA0242 [0,0,0,0,0,1|3,0,0]=4 361 B12R1.32 CCNC(=O)Cc1cncnc1 WXVL_AK00476SA0242 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.32 CCNC(=O)Cc1ncccn1 WXVL_AK00476SA0307 [0,0,0,0,0,1|3,0,0]=4 363 B12R1.32 CCNC(=O)Cc1ncccn1 WXVL_AK00476SA0307 [0,0,0,0,0,1|3,0,0]=4 364 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,0,0,0,0,1|2,0,0]=3 365 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,0,0,0,0,1|2,0,0]=3 366 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,0,0,0,0,1|2,0,0]=3 367 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,0,0,0,0,1|2,0,0]=3 368 B12R1.32 COCC(=O)Nc1ccccn1 WXVL_AF00298SB0090 [0,0,0,0,0,1|3,0,0]=4 369 B12R1.32 COCC(=O)Nc1ccccn1 WXVL_AF00298SB0090 [0,0,0,0,0,1|3,0,0]=4 370 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,0,0,0,0,1|2,0,0]=3 371 B12R1.32 CSCC(=O)Nc1ccccc1 WXVL_AG00183SB1267 [0,0,0,0,0,1|2,0,0]=3 372 B12R1.32 CSCC(=O)Nc1ccccn1 WXVL_AF00298SB1267 [0,0,0,0,0,1|3,0,0]=4 373 B12R1.32 CSCC(=O)Nc1ccccn1 WXVL_AF00298SB1267 [0,0,0,0,0,1|3,0,0]=4 374 B12R1.32 N#CCC(=O)Nc1ccccc1 WXVL_AG00183SB0057 [0,0,0,0,0,1|2,0,1]=4 375 B12R1.32 N#CCC(=O)Nc1ccccc1 WXVL_AG00183SB0057 [0,0,0,0,0,1|2,0,1]=4 376 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [1,0,1,0,0,0|1,0,1]=4 377 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [1,0,1,0,0,0|1,0,1]=4 378 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [2,0,0,0,0,0|1,0,0]=3 379 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [2,0,0,0,0,0|2,0,0]=4 386 B11R1.22 CNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00442SC0858 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.22 CNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00442SC0858 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.22 CNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00442SC2212 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.22 CNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00442SC2212 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.22 CNC(=O)c1ccc(=O)oc1 WXVL_AK00442SC0132 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.22 CNC(=O)c1ccc(=O)oc1 WXVL_AK00442SC0132 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.22 CNC(=O)c1ccc(cc1)Br WXVL_AK00442SD0060 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.22 CNC(=O)c1ccc(cc1)Br WXVL_AK00442SD0060 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.22 CNC(=O)c1ccc(cc1)C WXVL_AK00442SD0078 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.22 CNC(=O)c1ccc(cc1)C WXVL_AK00442SD0078 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.22 CNC(=O)c1ccc(cc1)Cl WXVL_AK00442SD0062 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.22 CNC(=O)c1ccc(cc1)Cl WXVL_AK00442SD0062 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.22 CNC(=O)c1ccc(cc1)F WXVL_AK00442SD0061 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.22 CNC(=O)c1ccc(cc1)F WXVL_AK00442SD0061 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.22 CNC(=O)c1ccc(cc1)I WXVL_AK00442SD0421 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.22 CNC(=O)c1ccc(cc1)I WXVL_AK00442SD0421 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.22 CNC(=O)c1ccc(cc1)O WXVL_AK00442SD0069 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.22 CNC(=O)c1ccc(cc1)O WXVL_AK00442SD0069 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.22 CNC(=O)c1ccc(cc1)S WXVL_AK00442SD0154 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.22 CNC(=O)c1ccc(cc1)S WXVL_AK00442SD0154 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.22 CNC(=O)c1ccc(cn1)Br WXVL_AK00442SC0363 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.22 CNC(=O)c1ccc(cn1)Br WXVL_AK00442SC0363 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.22 CNC(=O)c1ccc(cn1)C WXVL_AK00442SC0104 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.22 CNC(=O)c1ccc(cn1)C WXVL_AK00442SC0104 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.22 CNC(=O)c1ccc(cn1)Cl WXVL_AK00442SC0381 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.22 CNC(=O)c1ccc(cn1)Cl WXVL_AK00442SC0381 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.22 CNC(=O)c1ccc(cn1)F WXVL_AK00442SC0114 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.22 CNC(=O)c1ccc(cn1)F WXVL_AK00442SC0114 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.22 CNC(=O)c1ccc(cn1)O WXVL_AK00442SC0130 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.22 CNC(=O)c1ccc(cn1)O WXVL_AK00442SC0130 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.22 CNC(=O)c1ccc(nc1)Br WXVL_AK00442SC0352 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.22 CNC(=O)c1ccc(nc1)Br WXVL_AK00442SC0352 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.22 CNC(=O)c1ccc(nc1)C WXVL_AK00442SC0060 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.22 CNC(=O)c1ccc(nc1)C WXVL_AK00442SC0060 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.22 CNC(=O)c1ccc(nc1)Cl WXVL_AK00442SC0147 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.22 CNC(=O)c1ccc(nc1)Cl WXVL_AK00442SC0147 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.22 CNC(=O)c1ccc(nc1)F WXVL_AK00442SC0370 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.22 CNC(=O)c1ccc(nc1)F WXVL_AK00442SC0370 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.22 CNC(=O)c1ccc(nc1)O WXVL_AK00442SC0057 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.22 CNC(=O)c1ccc(nc1)O WXVL_AK00442SC0057 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.23 CNC(=O)c1cc(=O)cco1 WXVL_AK00442SC0133 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.23 CNC(=O)c1cc(=O)cco1 WXVL_AK00442SC0133 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.23 CNC(=O)c1cc(ccn1)Br WXVL_AK00442SC0243 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.23 CNC(=O)c1cc(ccn1)Br WXVL_AK00442SC0243 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.23 CNC(=O)c1cc(ccn1)C WXVL_AK00442SC0235 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.23 CNC(=O)c1cc(ccn1)C WXVL_AK00442SC0235 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.23 CNC(=O)c1cc(ccn1)Cl WXVL_AK00442SC0373 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.23 CNC(=O)c1cc(ccn1)Cl WXVL_AK00442SC0373 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.23 CNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00442SC1039 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.23 CNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00442SC1039 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.23 CNC(=O)c1cccc(c1)Br WXVL_AK00442SD0041 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.23 CNC(=O)c1cccc(c1)Br WXVL_AK00442SD0041 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.23 CNC(=O)c1cccc(c1)C WXVL_AK00442SD0056 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.23 CNC(=O)c1cccc(c1)C WXVL_AK00442SD0056 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.23 CNC(=O)c1cccc(c1)Cl WXVL_AK00442SD0045 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.23 CNC(=O)c1cccc(c1)Cl WXVL_AK00442SD0045 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.23 CNC(=O)c1cccc(c1)F WXVL_AK00442SD0043 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.23 CNC(=O)c1cccc(c1)F WXVL_AK00442SD0043 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.23 CNC(=O)c1cccc(c1)I WXVL_AK00442SD0405 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.23 CNC(=O)c1cccc(c1)I WXVL_AK00442SD0405 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.23 CNC(=O)c1cccc(c1)O WXVL_AK00442SD1724 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.23 CNC(=O)c1cccc(c1)O WXVL_AK00442SD1724 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.23 CNC(=O)c1cccc(n1)Br WXVL_AK00442SC0366 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.23 CNC(=O)c1cccc(n1)Br WXVL_AK00442SC0366 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.23 CNC(=O)c1cccc(n1)F WXVL_AK00442SC0386 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.23 CNC(=O)c1cccc(n1)F WXVL_AK00442SC0386 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.23 CNC(=O)c1cccc(n1)O WXVL_AK00442SC0084 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.23 CNC(=O)c1cccc(n1)O WXVL_AK00442SC0084 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.23 CNC(=O)c1ccnc(c1)Br WXVL_AK00442SC0349 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.23 CNC(=O)c1ccnc(c1)Br WXVL_AK00442SC0349 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.23 CNC(=O)c1ccnc(c1)C WXVL_AK00442SC0400 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.23 CNC(=O)c1ccnc(c1)C WXVL_AK00442SC0400 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.23 CNC(=O)c1ccnc(c1)Cl WXVL_AK00442SC0083 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.23 CNC(=O)c1ccnc(c1)Cl WXVL_AK00442SC0083 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.23 CNC(=O)c1ccnc(c1)F WXVL_AK00442SC0015 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.23 CNC(=O)c1ccnc(c1)F WXVL_AK00442SC0015 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.23 CNC(=O)c1ccnc(c1)O WXVL_AK00442SC0131 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.23 CNC(=O)c1ccnc(c1)O WXVL_AK00442SC0131 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.23 CNC(=O)c1cncc(c1)Br WXVL_AK00442SC0369 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.23 CNC(=O)c1cncc(c1)Br WXVL_AK00442SC0369 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.23 CNC(=O)c1cncc(c1)C WXVL_AK00442SC0095 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.23 CNC(=O)c1cncc(c1)C WXVL_AK00442SC0095 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.23 CNC(=O)c1cncc(c1)Cl WXVL_AK00442SC0291 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.23 CNC(=O)c1cncc(c1)Cl WXVL_AK00442SC0291 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.23 CNC(=O)c1cncc(c1)F WXVL_AK00442SC0102 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.23 CNC(=O)c1cncc(c1)F WXVL_AK00442SC0102 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.23 CNC(=O)c1cncc(c1)O WXVL_AK00442SC0333 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.23 CNC(=O)c1cncc(c1)O WXVL_AK00442SC0333 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.36 CN(C)C(=O)c1ccccc1 WXVL_AN0032SD0001 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.36 CN(C)C(=O)c1ccccc1 WXVL_AN0032SD0001 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.36 CN(C)C(=O)c1cccnc1 WXVL_AN0032SC0061 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.36 CN(C)C(=O)c1cccnc1 WXVL_AN0032SC0061 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.36 CN(C)C(=O)c1ccncc1 WXVL_AN0032SC0062 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.36 CN(C)C(=O)c1ccncc1 WXVL_AN0032SC0062 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.222 CNC(=O)c1cccnc1Br WXVL_AK00442SC0367 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.222 CNC(=O)c1cccnc1Br WXVL_AK00442SC0367 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.222 CNC(=O)c1cccnc1C WXVL_AK00442SC0065 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.222 CNC(=O)c1cccnc1C WXVL_AK00442SC0065 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.222 CNC(=O)c1cccnc1Cl WXVL_AK00442SC0146 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.222 CNC(=O)c1cccnc1Cl WXVL_AK00442SC0146 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.222 CNC(=O)c1cccnc1F WXVL_AK00442SC0350 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.222 CNC(=O)c1cccnc1F WXVL_AK00442SC0350 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.222 CNC(=O)c1cccnc1O WXVL_AK00442SC0063 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.222 CNC(=O)c1cccnc1O WXVL_AK00442SC0063 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.222 CNC(=O)c1ccncc1Br WXVL_AK00442SC0365 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.222 CNC(=O)c1ccncc1Br WXVL_AK00442SC0365 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.222 CNC(=O)c1ccncc1Cl WXVL_AK00442SC0375 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.222 CNC(=O)c1ccncc1Cl WXVL_AK00442SC0375 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.222 CNC(=O)c1ccncc1F WXVL_AK00442SC0320 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.222 CNC(=O)c1ccncc1F WXVL_AK00442SC0320 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.222 CNC(=O)c1ccncc1O WXVL_AK00442SC0354 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.222 CNC(=O)c1ccncc1O WXVL_AK00442SC0354 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.222 CNC(=O)c1cnccc1Br WXVL_AK00442SC0500 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.222 CNC(=O)c1cnccc1Br WXVL_AK00442SC0500 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.222 CNC(=O)c1cnccc1C WXVL_AK00442SC0301 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.222 CNC(=O)c1cnccc1C WXVL_AK00442SC0301 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.222 CNC(=O)c1cnccc1Cl WXVL_AK00442SC0340 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.222 CNC(=O)c1cnccc1Cl WXVL_AK00442SC0340 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.222 CNC(=O)c1ncccc1Br WXVL_AK00442SC0501 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.222 CNC(=O)c1ncccc1Br WXVL_AK00442SC0501 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.222 CNC(=O)c1ncccc1Cl WXVL_AK00442SC0609 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.222 CNC(=O)c1ncccc1Cl WXVL_AK00442SC0609 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.222 CNC(=O)c1ncccc1F WXVL_AK00442SC0773 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.222 CNC(=O)c1ncccc1F WXVL_AK00442SC0773 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.15 CCNC(=O)c1c[nH]c(c1)C WXVL_AK00476SC0298 [0,1,0,0,1,0|2,0,0]=4 533 B11R1.15 CCNC(=O)c1c[nH]c(c1)C WXVL_AK00476SC0298 [0,1,0,0,1,0|2,0,0]=4 534 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,1,0,0,1,0|2,0,0]=4 535 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,1,0,0,1,0|2,0,0]=4 536 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,1,0,0,1,0|2,0,0]=4 537 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,1,0,0,1,0|2,0,0]=4 538 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,1,0,0,1,0|2,0,0]=4 539 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,1,0,0,1,0|2,0,0]=4 540 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,1,0,0,1,0|2,0,0]=4 541 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,1,0,0,1,0|2,0,0]=4 542 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,1,0,0,1,0|2,0,0]=4 543 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,1,0,0,1,0|2,0,0]=4 544 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,1,0,0,1,0|2,0,0]=4 545 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,1,0,0,1,0|2,0,0]=4 546 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,1,0,0,1,0|2,0,0]=4 547 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,1,0,0,1,0|2,0,0]=4 548 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,1,0,0,1,0|2,0,0]=4 549 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,1,0,0,1,0|2,0,0]=4 550 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,1,0,0,1,0|2,0,0]=4 551 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,1,0,0,1,0|2,0,0]=4 552 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,1,0,0,1,0|2,0,0]=4 553 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,1,0,0,1,0|2,0,0]=4 554 B11R1.15 CCNC(=O)c1ccn(c1)C WXVL_AK00476SC0038 [0,1,0,0,1,0|2,0,0]=4 555 B11R1.15 CCNC(=O)c1ccn(c1)C WXVL_AK00476SC0038 [0,1,0,0,1,0|2,0,0]=4 556 B11R1.15 CCNC(=O)c1csc(c1)Br WXVL_AK00476SC0189 [0,1,0,0,1,0|2,0,0]=4 557 B11R1.15 CCNC(=O)c1csc(c1)Br WXVL_AK00476SC0189 [0,1,0,0,1,0|2,0,0]=4 558 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [0,1,0,0,1,0|2,0,0]=4 559 B11R1.29 CCCNC(=O)c1cc[nH]c1 WXVL_AK00504SC0013 [0,1,0,0,1,0|2,0,0]=4 560 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,0,1,0|2,0,0]=4 561 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,1,0,0,1,0|2,0,0]=4 562 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,0,1,0|2,0,0]=4 563 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,1,0,0,1,0|2,0,0]=4 564 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [0,1,0,0,1,0|2,0,0]=4 565 B11R1.29 CCCNC(=O)c1ccoc1 WXVL_AK00504SC0050 [0,1,0,0,1,0|2,0,0]=4 566 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [0,1,0,0,1,0|2,0,0]=4 567 B11R1.29 CCCNC(=O)c1ccsc1 WXVL_AK00504SC0054 [0,1,0,0,1,0|2,0,0]=4 568 B11R1.29 O=C(NCCF)c1cc[nH]c1 WXVL_AK00466SC0013 [0,1,0,0,1,0|2,0,0]=4 569 B11R1.29 O=C(NCCF)c1cc[nH]c1 WXVL_AK00466SC0013 [0,1,0,0,1,0|2,0,0]=4 570 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,1,0,0,1,0|2,0,0]=4 571 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,1,0,0,1,0|2,0,0]=4 572 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,0,1,0|2,0,0]=4 573 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,1,0,0,1,0|2,0,0]=4 574 B11R1.29 O=C(NCCF)c1ccoc1 WXVL_AK00466SC0050 [0,1,0,0,1,0|2,0,0]=4 575 B11R1.29 O=C(NCCF)c1ccoc1 WXVL_AK00466SC0050 [0,1,0,0,1,0|2,0,0]=4 576 B11R1.29 O=C(NCCF)c1ccsc1 WXVL_AK00466SC0054 [0,1,0,0,1,0|2,0,0]=4 577 B11R1.29 O=C(NCCF)c1ccsc1 WXVL_AK00466SC0054 [0,1,0,0,1,0|2,0,0]=4 578 B11R1.77 CC(C)NC(=O)c1cc[nH]c1 WXVL_AK0030SC0013 [0,1,0,0,1,0|2,0,0]=4 579 B11R1.77 CC(C)NC(=O)c1cc[nH]c1 WXVL_AK0030SC0013 [0,1,0,0,1,0|2,0,0]=4 580 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,1,0,0,1,0|2,0,0]=4 582 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,0,1,0|2,0,0]=4 584 B11R1.77 CC(C)NC(=O)c1ccoc1 WXVL_AK0030SC0050 [0,1,0,0,1,0|2,0,0]=4 585 B11R1.77 CC(C)NC(=O)c1ccoc1 WXVL_AK0030SC0050 [0,1,0,0,1,0|2,0,0]=4 586 B11R1.77 CC(C)NC(=O)c1ccsc1 WXVL_AK0030SC0054 [0,1,0,0,1,0|2,0,0]=4 587 B11R1.77 CC(C)NC(=O)c1ccsc1 WXVL_AK0030SC0054 [0,1,0,0,1,0|2,0,0]=4 588 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,1,0,0,1,0|2,0,0]=4 589 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.199 CCNC(=O)c1c[nH]cc1C WXVL_AK00476SC0251 [0,1,0,0,1,0|2,0,0]=4 591 B11R1.199 CCNC(=O)c1c[nH]cc1C WXVL_AK00476SC0251 [0,1,0,0,1,0|2,0,0]=4 592 B11R1.199 CCNC(=O)c1ccsc1C WXVL_AK00476SC1037 [0,1,0,0,1,0|2,0,0]=4 593 B11R1.199 CCNC(=O)c1ccsc1C WXVL_AK00476SC1037 [0,1,0,0,1,0|2,0,0]=4 594 B11R1.199 CCNC(=O)c1ccsc1Cl WXVL_AK00476SC0794 [0,1,0,0,1,0|2,0,0]=4 595 B11R1.199 CCNC(=O)c1ccsc1Cl WXVL_AK00476SC0794 [0,1,0,0,1,0|2,0,0]=4 596 B11R1.199 CCNC(=O)c1cscc1Br WXVL_AK00476SC1024 [0,1,0,0,1,0|2,0,0]=4 597 B11R1.199 CCNC(=O)c1cscc1Br WXVL_AK00476SC1024 [0,1,0,0,1,0|2,0,0]=4 598 B11R1.199 CCNC(=O)c1cscc1C WXVL_AK00476SC0257 [0,1,0,0,1,0|2,0,0]=4 599 B11R1.199 CCNC(=O)c1cscc1C WXVL_AK00476SC0257 [0,1,0,0,1,0|2,0,0]=4 600 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,1,0,0,1,0|2,0,0]=4 601 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,1,0,0,1,0|2,0,0]=4 602 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,1,0,0,1,0|2,0,0]=4 603 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,1,0,0,1,0|2,0,0]=4 604 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,1,0,0,1,0|2,0,0]=4 605 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,1,0,0,1,0|2,0,0]=4 606 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,1,0,0,1,0|2,0,0]=4 607 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,1,0,0,1,0|2,0,0]=4 608 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,1,0,0,1,0|2,0,0]=4 609 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,1,0,0,1,0|2,0,0]=4 610 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,1,0,0,1,0|2,0,0]=4 611 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,1,0,0,1,0|2,0,0]=4 612 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,1,0,0,1,0|2,0,0]=4 613 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,1,0,0,1,0|2,0,0]=4 614 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0340 [0,1,0,0,0,1|1,0,1]=4 615 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0340 [0,1,0,0,0,1|1,0,1]=4 616 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)I WXVL_AG1742SB0340 [0,1,0,0,0,1|1,0,1]=4 617 B13R1.19 C/C=C/C(=O)Nc1ccc(cc1)I WXVL_AG1742SB0340 [0,1,0,0,0,1|1,0,1]=4 618 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB1240 [0,1,0,0,0,1|1,0,1]=4 619 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB1240 [0,1,0,0,0,1|1,0,1]=4 620 B13R1.19 CC#CC(=O)Nc1ccc(cc1)I WXVL_AG1742SB1240 [0,1,0,0,0,1|1,0,1]=4 621 B13R1.19 CC#CC(=O)Nc1ccc(cc1)I WXVL_AG1742SB1240 [0,1,0,0,0,1|1,0,1]=4 622 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0073 [0,1,0,0,0,1|1,0,0]=3 623 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0073 [0,1,0,0,0,1|1,0,0]=3 624 B13R1.19 CCCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0073 [0,1,0,0,0,1|1,0,0]=3 625 B13R1.19 CCCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0073 [0,1,0,0,0,1|1,0,0]=3 626 B13R1.19 CCCC(=O)Nc1ccc(cn1)C WXVL_AF0018SB0073 [0,1,0,0,0,1|2,0,0]=4 627 B13R1.19 CCCC(=O)Nc1ccc(cn1)C WXVL_AF0018SB0073 [0,1,0,0,0,1|2,0,0]=4 628 B13R1.19 CCCC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB0073 [0,1,0,0,0,1|2,0,0]=4 629 B13R1.19 CCCC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB0073 [0,1,0,0,0,1|2,0,0]=4 630 B13R1.19 CCCC(=O)Nc1ccc(cn1)O WXVL_AF3250SB0073 [0,1,0,0,0,1|2,0,0]=4 631 B13R1.19 CCCC(=O)Nc1ccc(cn1)O WXVL_AF3250SB0073 [0,1,0,0,0,1|2,0,0]=4 632 B13R1.19 CCCC(=O)Nc1ccc(nc1)Br WXVL_AF0320SB0073 [0,1,0,0,0,1|2,0,0]=4 633 B13R1.19 CCCC(=O)Nc1ccc(nc1)Br WXVL_AF0320SB0073 [0,1,0,0,0,1|2,0,0]=4 634 B13R1.19 CCCC(=O)Nc1ccc(nc1)C WXVL_AF0076SB0073 [0,1,0,0,0,1|2,0,0]=4 635 B13R1.19 CCCC(=O)Nc1ccc(nc1)C WXVL_AF0076SB0073 [0,1,0,0,0,1|2,0,0]=4 636 B13R1.19 CCCC(=O)Nc1ccc(nc1)Cl WXVL_AF0323SB0073 [0,1,0,0,0,1|2,0,0]=4 637 B13R1.19 CCCC(=O)Nc1ccc(nc1)Cl WXVL_AF0323SB0073 [0,1,0,0,0,1|2,0,0]=4 638 B13R1.19 CCCC(=O)Nc1ccc(nc1)F WXVL_AF0400SB0073 [0,1,0,0,0,1|2,0,0]=4 639 B13R1.19 CCCC(=O)Nc1ccc(nc1)F WXVL_AF0400SB0073 [0,1,0,0,0,1|2,0,0]=4 640 B13R1.19 CCCC(=O)Nc1ccc(nc1)I WXVL_AF1228SB0073 [0,1,0,0,0,1|2,0,0]=4 641 B13R1.19 CCCC(=O)Nc1ccc(nc1)I WXVL_AF1228SB0073 [0,1,0,0,0,1|2,0,0]=4 642 B13R1.19 CCCC(=O)Nc1ccc(nc1)O WXVL_AF0322SB0073 [0,1,0,0,0,1|2,0,0]=4 643 B13R1.19 CCCC(=O)Nc1ccc(nc1)O WXVL_AF0322SB0073 [0,1,0,0,0,1|2,0,0]=4 644 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br WXVL_AK00476SB0926 [0,1,0,0,0,1|1,0,0]=3 645 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br WXVL_AK00476SB0926 [0,1,0,0,0,1|1,0,0]=3 646 B13R1.19 CCNC(=O)Cc1ccc(cc1)C WXVL_AK00476SB0112 [0,1,0,0,0,1|1,0,0]=3 647 B13R1.19 CCNC(=O)Cc1ccc(cc1)C WXVL_AK00476SB0112 [0,1,0,0,0,1|1,0,0]=3 648 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00476SB0107 [0,1,0,0,0,1|1,0,0]=3 649 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl WXVL_AK00476SB0107 [0,1,0,0,0,1|1,0,0]=3 650 B13R1.19 CCNC(=O)Cc1ccc(cc1)F WXVL_AK00476SB0106 [0,1,0,0,0,1|1,0,0]=3 651 B13R1.19 CCNC(=O)Cc1ccc(cc1)F WXVL_AK00476SB0106 [0,1,0,0,0,1|1,0,0]=3 652 B13R1.19 CCNC(=O)Cc1ccc(cc1)O WXVL_AK00476SB0110 [0,1,0,0,0,1|1,0,0]=3 653 B13R1.19 CCNC(=O)Cc1ccc(cc1)O WXVL_AK00476SB0110 [0,1,0,0,0,1|1,0,0]=3 654 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br WXVL_AK00476SA0212 [0,1,0,0,0,1|2,0,0]=4 655 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br WXVL_AK00476SA0212 [0,1,0,0,0,1|2,0,0]=4 656 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl WXVL_AK00476SA0537 [0,1,0,0,0,1|2,0,0]=4 657 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl WXVL_AK00476SA0537 [0,1,0,0,0,1|2,0,0]=4 658 B13R1.19 CCNC(=O)Cc1ccc(cn1)F WXVL_AK00476SA0011 [0,1,0,0,0,1|2,0,0]=4 659 B13R1.19 CCNC(=O)Cc1ccc(cn1)F WXVL_AK00476SA0011 [0,1,0,0,0,1|2,0,0]=4 660 B13R1.19 CCNC(=O)Cc1ccc(cn1)O WXVL_AK00476SA2976 [0,1,0,0,0,1|2,0,0]=4 661 B13R1.19 CCNC(=O)Cc1ccc(cn1)O WXVL_AK00476SA2976 [0,1,0,0,0,1|2,0,0]=4 662 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br WXVL_AK00476SA00056 [0,1,0,0,0,1|2,0,0]=4 663 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br WXVL_AK00476SA00056 [0,1,0,0,0,1|2,0,0]=4 664 B13R1.19 CCNC(=O)Cc1ccc(nc1)C WXVL_AK00476SA0250 [0,1,0,0,0,1|2,0,0]=4 665 B13R1.19 CCNC(=O)Cc1ccc(nc1)C WXVL_AK00476SA0250 [0,1,0,0,0,1|2,0,0]=4 666 B13R1.19 CCNC(=O)Nc1ccc(cc1)C WXVL_AK00476YV0026 [0,1,0,0,0,1|1,0,0]=3 667 B13R1.19 CCNC(=O)Nc1ccc(cc1)C WXVL_AK00476YV0026 [0,1,0,0,0,1|1,0,0]=3 668 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00476YV0023 [0,1,0,0,0,1|1,0,0]=3 669 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl WXVL_AK00476YV0023 [0,1,0,0,0,1|1,0,0]=3 670 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0090 [0,1,0,0,0,1|2,0,0]=4 671 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0090 [0,1,0,0,0,1|2,0,0]=4 672 B13R1.19 COCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0090 [0,1,0,0,0,1|2,0,0]=4 673 B13R1.19 COCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0090 [0,1,0,0,0,1|2,0,0]=4 674 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB1267 [0,1,0,0,0,1|2,0,0]=4 675 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB1267 [0,1,0,0,0,1|2,0,0]=4 676 B13R1.19 CSCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB1267 [0,1,0,0,0,1|2,0,0]=4 677 B13R1.19 CSCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB1267 [0,1,0,0,0,1|2,0,0]=4 678 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)C WXVL_AG0052SB0340 [0,1,0,0,0,1|1,0,1]=4 679 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)C WXVL_AG0052SB0340 [0,1,0,0,0,1|1,0,1]=4 680 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)I WXVL_AG0649SB0340 [0,1,0,0,0,1|1,0,1]=4 681 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)I WXVL_AG0649SB0340 [0,1,0,0,0,1|1,0,1]=4 682 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)O WXVL_AG00200SB0340 [0,1,0,0,0,1|1,0,1]=4 683 B13R1.20 C/C=C/C(=O)Nc1cccc(c1)O WXVL_AG00200SB0340 [0,1,0,0,0,1|1,0,1]=4 684 B13R1.20 CC#CC(=O)Nc1cccc(c1)C WXVL_AG0052SB1240 [0,1,0,0,0,1|1,0,1]=4 685 B13R1.20 CC#CC(=O)Nc1cccc(c1)C WXVL_AG0052SB1240 [0,1,0,0,0,1|1,0,1]=4 686 B13R1.20 CC#CC(=O)Nc1cccc(c1)I WXVL_AG0649SB1240 [0,1,0,0,0,1|1,0,1]=4 687 B13R1.20 CC#CC(=O)Nc1cccc(c1)I WXVL_AG0649SB1240 [0,1,0,0,0,1|1,0,1]=4 688 B13R1.20 CC#CC(=O)Nc1cccc(c1)O WXVL_AG00200SB1240 [0,1,0,0,0,1|1,0,1]=4 689 B13R1.20 CC#CC(=O)Nc1cccc(c1)O WXVL_AG00200SB1240 [0,1,0,0,0,1|1,0,1]=4 690 B13R1.20 CCCC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB0073 [0,1,0,0,0,1|2,0,0]=4 691 B13R1.20 CCCC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB0073 [0,1,0,0,0,1|2,0,0]=4 692 B13R1.20 CCCC(=O)Nc1cc(ccn1)F WXVL_AF0152SB0073 [0,1,0,0,0,1|2,0,0]=4 693 B13R1.20 CCCC(=O)Nc1cc(ccn1)F WXVL_AF0152SB0073 [0,1,0,0,0,1|2,0,0]=4 694 B13R1.20 CCCC(=O)Nc1cc(ccn1)O WXVL_AF3303SB0073 [0,1,0,0,0,1|2,0,0]=4 695 B13R1.20 CCCC(=O)Nc1cc(ccn1)O WXVL_AF3303SB0073 [0,1,0,0,0,1|2,0,0]=4 696 B13R1.20 CCCC(=O)Nc1cc[nH]c(=O)c1 WXVL_AK8414SB0073 [0,1,0,0,0,1|2,0,0]=4 697 B13R1.20 CCCC(=O)Nc1cc[nH]c(=O)c1 WXVL_AK8414SB0073 [0,1,0,0,0,1|2,0,0]=4 698 B13R1.20 CCCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0073 [0,1,0,0,0,1|1,0,0]=3 699 B13R1.20 CCCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0073 [0,1,0,0,0,1|1,0,0]=3 700 B13R1.20 CCCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0073 [0,1,0,0,0,1|1,0,0]=3 701 B13R1.20 CCCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0073 [0,1,0,0,0,1|1,0,0]=3 702 B13R1.20 CCCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0073 [0,1,0,0,0,1|1,0,0]=3 703 B13R1.20 CCCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0073 [0,1,0,0,0,1|1,0,0]=3 704 B13R1.20 CCCC(=O)Nc1cccc(n1)Br WXVL_AF0038SB0073 [0,1,0,0,0,1|2,0,0]=4 705 B13R1.20 CCCC(=O)Nc1cccc(n1)Br WXVL_AF0038SB0073 [0,1,0,0,0,1|2,0,0]=4 706 B13R1.20 CCCC(=O)Nc1cccc(n1)C WXVL_AF0019SB0073 [0,1,0,0,0,1|2,0,0]=4 707 B13R1.20 CCCC(=O)Nc1cccc(n1)C WXVL_AF0019SB0073 [0,1,0,0,0,1|2,0,0]=4 708 B13R1.20 CCCC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB0073 [0,1,0,0,0,1|2,0,0]=4 709 B13R1.20 CCCC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB0073 [0,1,0,0,0,1|2,0,0]=4 710 B13R1.20 CCCC(=O)Nc1cccc(n1)F WXVL_AF0307SB0073 [0,1,0,0,0,1|2,0,0]=4 711 B13R1.20 CCCC(=O)Nc1cccc(n1)F WXVL_AF0307SB0073 [0,1,0,0,0,1|2,0,0]=4 712 B13R1.20 CCCC(=O)Nc1cccc(n1)I WXVL_AF0430SB0073 [0,1,0,0,0,1|2,0,0]=4 713 B13R1.20 CCCC(=O)Nc1cccc(n1)I WXVL_AF0430SB0073 [0,1,0,0,0,1|2,0,0]=4 714 B13R1.20 CCCC(=O)Nc1cccc(n1)O WXVL_AF2469SB0073 [0,1,0,0,0,1|2,0,0]=4 715 B13R1.20 CCCC(=O)Nc1cccc(n1)O WXVL_AF2469SB0073 [0,1,0,0,0,1|2,0,0]=4 716 B13R1.20 CCCC(=O)Nc1ccnc(c1)Br WXVL_AF0395SB0073 [0,1,0,0,0,1|2,0,0]=4 717 B13R1.20 CCCC(=O)Nc1ccnc(c1)Br WXVL_AF0395SB0073 [0,1,0,0,0,1|2,0,0]=4 718 B13R1.20 CCCC(=O)Nc1ccnc(c1)Cl WXVL_AF0319SB0073 [0,1,0,0,0,1|2,0,0]=4 719 B13R1.20 CCCC(=O)Nc1ccnc(c1)Cl WXVL_AF0319SB0073 [0,1,0,0,0,1|2,0,0]=4 720 B13R1.20 CCCC(=O)Nc1ccnc(c1)F WXVL_AF0676SB0073 [0,1,0,0,0,1|2,0,0]=4 721 B13R1.20 CCCC(=O)Nc1ccnc(c1)F WXVL_AF0676SB0073 [0,1,0,0,0,1|2,0,0]=4 722 B13R1.20 CCCC(=O)Nc1ccnc(c1)O WXVL_AF0326SB0073 [0,1,0,0,0,1|2,0,0]=4 723 B13R1.20 CCCC(=O)Nc1ccnc(c1)O WXVL_AF0326SB0073 [0,1,0,0,0,1|2,0,0]=4 724 B13R1.20 CCCC(=O)Nc1cncc(c1)Br WXVL_AF0318SB0073 [0,1,0,0,0,1|2,0,0]=4 725 B13R1.20 CCCC(=O)Nc1cncc(c1)Br WXVL_AF0318SB0073 [0,1,0,0,0,1|2,0,0]=4 726 B13R1.20 CCCC(=O)Nc1cncc(c1)C WXVL_AF0136SB0073 [0,1,0,0,0,1|2,0,0]=4 727 B13R1.20 CCCC(=O)Nc1cncc(c1)C WXVL_AF0136SB0073 [0,1,0,0,0,1|2,0,0]=4 728 B13R1.20 CCCC(=O)Nc1cncc(c1)Cl WXVL_AF0629SB0073 [0,1,0,0,0,1|2,0,0]=4 729 B13R1.20 CCCC(=O)Nc1cncc(c1)Cl WXVL_AF0629SB0073 [0,1,0,0,0,1|2,0,0]=4 730 B13R1.20 CCCC(=O)Nc1cncc(c1)F WXVL_AF0342SB0073 [0,1,0,0,0,1|2,0,0]=4 731 B13R1.20 CCCC(=O)Nc1cncc(c1)F WXVL_AF0342SB0073 [0,1,0,0,0,1|2,0,0]=4 732 B13R1.20 CCCC(=O)Nc1cncc(c1)O WXVL_AF0659SB0073 [0,1,0,0,0,1|2,0,0]=4 733 B13R1.20 CCCC(=O)Nc1cncc(c1)O WXVL_AF0659SB0073 [0,1,0,0,0,1|2,0,0]=4 734 B13R1.20 CCNC(=O)Cc1cccc(c1)Br WXVL_AK00476SB0099 [0,1,0,0,0,1|1,0,0]=3 735 B13R1.20 CCNC(=O)Cc1cccc(c1)Br WXVL_AK00476SB0099 [0,1,0,0,0,1|1,0,0]=3 736 B13R1.20 CCNC(=O)Cc1cccc(c1)C WXVL_AK00476SB0105 [0,1,0,0,0,1|1,0,0]=3 737 B13R1.20 CCNC(=O)Cc1cccc(c1)C WXVL_AK00476SB0105 [0,1,0,0,0,1|1,0,0]=3 738 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl WXVL_AK00476SB0101 [0,1,0,0,0,1|1,0,0]=3 739 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl WXVL_AK00476SB0101 [0,1,0,0,0,1|1,0,0]=3 740 B13R1.20 CCNC(=O)Cc1cccc(c1)F WXVL_AK00476SB0100 [0,1,0,0,0,1|1,0,0]=3 741 B13R1.20 CCNC(=O)Cc1cccc(c1)F WXVL_AK00476SB0100 [0,1,0,0,0,1|1,0,0]=3 742 B13R1.20 CCNC(=O)Cc1cccc(c1)O WXVL_AK00476SB0104 [0,1,0,0,0,1|1,0,0]=3 743 B13R1.20 CCNC(=O)Cc1cccc(c1)O WXVL_AK00476SB0104 [0,1,0,0,0,1|1,0,0]=3 744 B13R1.20 CCNC(=O)Cc1cccc(n1)C WXVL_AK00476SA0399 [0,1,0,0,0,1|2,0,0]=4 745 B13R1.20 CCNC(=O)Cc1cccc(n1)C WXVL_AK00476SA0399 [0,1,0,0,0,1|2,0,0]=4 746 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl WXVL_AK00476SA0313 [0,1,0,0,0,1|2,0,0]=4 747 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl WXVL_AK00476SA0313 [0,1,0,0,0,1|2,0,0]=4 748 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br WXVL_AK00476SA0520 [0,1,0,0,0,1|2,0,0]=4 749 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br WXVL_AK00476SA0520 [0,1,0,0,0,1|2,0,0]=4 750 B13R1.20 CCNC(=O)Nc1cccc(c1)Br WXVL_AK00476YV0098 [0,1,0,0,0,1|1,0,0]=3 751 B13R1.20 CCNC(=O)Nc1cccc(c1)Br WXVL_AK00476YV0098 [0,1,0,0,0,1|1,0,0]=3 752 B13R1.20 CCNC(=O)Nc1cccc(c1)C WXVL_AK00476YV0020 [0,1,0,0,0,1|1,0,0]=3 753 B13R1.20 CCNC(=O)Nc1cccc(c1)C WXVL_AK00476YV0020 [0,1,0,0,0,1|1,0,0]=3 754 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl WXVL_AK00476YV0016 [0,1,0,0,0,1|1,0,0]=3 755 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl WXVL_AK00476YV0016 [0,1,0,0,0,1|1,0,0]=3 756 B13R1.20 COCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0090 [0,1,0,0,0,1|2,0,0]=4 757 B13R1.20 COCC(=O)Nc1cccc(c1)C WXVL_AG0052SB0090 [0,1,0,0,0,1|2,0,0]=4 758 B13R1.20 COCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0090 [0,1,0,0,0,1|2,0,0]=4 759 B13R1.20 COCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0090 [0,1,0,0,0,1|2,0,0]=4 760 B13R1.20 COCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0090 [0,1,0,0,0,1|2,0,0]=4 761 B13R1.20 COCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0090 [0,1,0,0,0,1|2,0,0]=4 762 B13R1.20 CSCC(=O)Nc1cccc(c1)C WXVL_AG0052SB1267 [0,1,0,0,0,1|2,0,0]=4 763 B13R1.20 CSCC(=O)Nc1cccc(c1)C WXVL_AG0052SB1267 [0,1,0,0,0,1|2,0,0]=4 764 B13R1.20 CSCC(=O)Nc1cccc(c1)I WXVL_AG0649SB1267 [0,1,0,0,0,1|2,0,0]=4 765 B13R1.20 CSCC(=O)Nc1cccc(c1)I WXVL_AG0649SB1267 [0,1,0,0,0,1|2,0,0]=4 766 B13R1.20 CSCC(=O)Nc1cccc(c1)O WXVL_AG00200SB1267 [0,1,0,0,0,1|2,0,0]=4 767 B13R1.20 CSCC(=O)Nc1cccc(c1)O WXVL_AG00200SB1267 [0,1,0,0,0,1|2,0,0]=4 768 B13R1.44 C#CCCC(=O)Nc1ccccc1 WXVL_AG00183SB2189 [0,1,0,0,0,1|1,0,1]=4 769 B13R1.44 C#CCCC(=O)Nc1ccccc1 WXVL_AG00183SB2189 [0,1,0,0,0,1|1,0,1]=4 770 B13R1.44 C=CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1035 [0,1,0,0,0,1|1,0,1]=4 771 B13R1.44 C=CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1035 [0,1,0,0,0,1|1,0,1]=4 772 B13R1.44 C=CCNC(=O)Cc1ccccc1 WXVL_AK00561SB0092 [0,1,0,0,0,1|1,0,1]=4 773 B13R1.44 C=CCNC(=O)Cc1ccccc1 WXVL_AK00561SB0092 [0,1,0,0,0,1|1,0,1]=4 774 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,1,0,0,0,1|1,0,0]=3 775 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,1,0,0,0,1|1,0,0]=3 776 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,1,0,0,0,1|2,0,0]=4 778 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SA0029 [0,1,0,0,0,1|2,0,0]=4 779 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SA0029 [0,1,0,0,0,1|2,0,0]=4 780 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SB00049 [0,1,0,0,0,1|2,0,0]=4 781 B13R1.44 CCCNC(=O)Cc1cccnc1 WXVL_AK00504SB00049 [0,1,0,0,0,1|2,0,0]=4 782 B13R1.44 CCCNC(=O)Cc1ccncc1 WXVL_AK00504SA00106 [0,1,0,0,0,1|2,0,0]=4 783 B13R1.44 CCCNC(=O)Cc1ccncc1 WXVL_AK00504SA00106 [0,1,0,0,0,1|2,0,0]=4 784 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,1,0,0,0,1|0,0,0]=2 787 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,1,0,0,0,1|0,0,0]=2 788 B13R1.44 CCOCC(=O)Nc1ccccn1 WXVL_AF00298SB0091 [0,1,0,0,0,1|1,0,0]=3 789 B13R1.44 CCOCC(=O)Nc1ccccn1 WXVL_AF00298SB0091 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.44 CCOCC(=O)Nc1cccnn1 WXVL_AF0151SB0091 [0,1,0,0,0,1|2,0,0]=4 791 B13R1.44 CCOCC(=O)Nc1cccnn1 WXVL_AF0151SB0091 [0,1,0,0,0,1|2,0,0]=4 792 B13R1.44 CCOCC(=O)Nc1ccncn1 WXVL_AF0139SB0091 [0,1,0,0,0,1|2,0,0]=4 793 B13R1.44 CCOCC(=O)Nc1ccncn1 WXVL_AF0139SB0091 [0,1,0,0,0,1|2,0,0]=4 794 B13R1.44 CCOCC(=O)Nc1ccnnc1 WXVL_AF0624SB0091 [0,1,0,0,0,1|2,0,0]=4 795 B13R1.44 CCOCC(=O)Nc1ccnnc1 WXVL_AF0624SB0091 [0,1,0,0,0,1|2,0,0]=4 796 B13R1.44 CCOCC(=O)Nc1cnccn1 WXVL_AF0120SB0091 [0,1,0,0,0,1|2,0,0]=4 797 B13R1.44 CCOCC(=O)Nc1cnccn1 WXVL_AF0120SB0091 [0,1,0,0,0,1|2,0,0]=4 798 B13R1.44 CCOCC(=O)Nc1cncnc1 WXVL_AF0085SB0091 [0,1,0,0,0,1|2,0,0]=4 799 B13R1.44 CCOCC(=O)Nc1cncnc1 WXVL_AF0085SB0091 [0,1,0,0,0,1|2,0,0]=4 800 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [0,1,0,0,0,1|0,1,0]=3 801 B13R1.44 CCSCC(=O)Nc1ccccc1 WXVL_AG00183SB0002 [0,1,0,0,0,1|0,1,0]=3 802 B13R1.44 CCSCC(=O)Nc1ccccn1 WXVL_AF00298SB0002 [0,1,0,0,0,1|1,1,0]=4 803 B13R1.44 CCSCC(=O)Nc1ccccn1 WXVL_AF00298SB0002 [0,1,0,0,0,1|1,1,0]=4 804 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [0,1,0,0,0,1|1,0,0]=3 805 B13R1.44 COCCC(=O)Nc1ccccc1 WXVL_AG00183SB0156 [0,1,0,0,0,1|1,0,0]=3 806 B13R1.44 COCCC(=O)Nc1ccccn1 WXVL_AF00298SB0156 [0,1,0,0,0,1|2,0,0]=4 807 B13R1.44 COCCC(=O)Nc1ccccn1 WXVL_AF00298SB0156 [0,1,0,0,0,1|2,0,0]=4 808 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [0,1,0,0,0,1|1,0,0]=3 809 B13R1.44 CSCCC(=O)Nc1ccccc1 WXVL_AG00183SB0361 [0,1,0,0,0,1|1,0,0]=3 810 B13R1.44 CSCCC(=O)Nc1ccccn1 WXVL_AF00298SB0361 [0,1,0,0,0,1|2,0,0]=4 811 B13R1.44 CSCCC(=O)Nc1ccccn1 WXVL_AF00298SB0361 [0,1,0,0,0,1|2,0,0]=4 812 B13R1.44 N#CCNC(=O)Cc1ccccc1 WXVL_AK0683SB0092 [0,1,0,0,0,1|1,0,1]=4 813 B13R1.44 N#CCNC(=O)Cc1ccccc1 WXVL_AK0683SB0092 [0,1,0,0,0,1|1,0,1]=4 814 B13R1.44 O=C(/C=C/CBr)Nc1ccccc1 WXVL_AG00183SB0424 [0,1,0,0,0,1|1,0,1]=4 815 B13R1.44 O=C(/C=C/CBr)Nc1ccccc1 WXVL_AG00183SB0424 [0,1,0,0,0,1|1,0,1]=4 816 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [0,1,0,0,0,1|1,0,0]=3 817 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [0,1,0,0,0,1|1,0,0]=3 818 B13R1.44 O=C(Cc1ccccn1)NCCF WXVL_AK00466SA0032 [0,1,0,0,0,1|2,0,0]=4 819 B13R1.44 O=C(Cc1ccccn1)NCCF WXVL_AK00466SA0032 [0,1,0,0,0,1|2,0,0]=4 820 B13R1.44 O=C(Cc1cccnc1)NCCF WXVL_AK00466SA0029 [0,1,0,0,0,1|2,0,0]=4 821 B13R1.44 O=C(Cc1cccnc1)NCCF WXVL_AK00466SA0029 [0,1,0,0,0,1|2,0,0]=4 822 B13R1.44 O=C(Cc1cccnc1)NCCF WXVL_AK00466SB00049 [0,1,0,0,0,1|2,0,0]=4 823 B13R1.44 O=C(Cc1cccnc1)NCCF WXVL_AK00466SB00049 [0,1,0,0,0,1|2,0,0]=4 824 B13R1.44 O=C(Cc1ccncc1)NCCF WXVL_AK00466SA00106 [0,1,0,0,0,1|2,0,0]=4 825 B13R1.44 O=C(Cc1ccncc1)NCCF WXVL_AK00466SA00106 [0,1,0,0,0,1|2,0,0]=4 826 B13R1.44 O=C(NCCCl)Nc1ccccc1 WXVL_AG00183YV0092 [0,1,0,0,0,1|1,0,0]=3 827 B13R1.44 O=C(NCCCl)Nc1ccccc1 WXVL_AG00183YV0092 [0,1,0,0,0,1|1,0,0]=3 828 B13R1.44 O=C(NCCCl)Nc1ccccn1 WXVL_AF00298YV0092 [0,1,0,0,0,1|2,0,0]=4 829 B13R1.44 O=C(NCCCl)Nc1ccccn1 WXVL_AF00298YV0092 [0,1,0,0,0,1|2,0,0]=4 830 B13R1.44 O=C(NCCF)Nc1ccccn1 WXVL_AK00466YV0189 [0,1,0,0,0,1|2,0,0]=4 831 B13R1.44 O=C(NCCF)Nc1ccccn1 WXVL_AK00466YV0189 [0,1,0,0,0,1|2,0,0]=4 832 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [0,1,0,0,0,1|1,0,0]=3 833 B13R1.47 CCNC(=O)C(=O)c1ccccc1 WXVL_AK00476SB0050 [0,1,0,0,0,1|1,0,0]=3 834 B13R1.47 CCNC(=O)C(C)c1ccccc1 WXVL_AK00476SB2326 [0,1,0,0,0,1|1,0,0]=3 835 B13R1.47 CCNC(=O)C(C)c1ccccc1 WXVL_AK00476SB2326 [0,1,0,0,0,1|1,0,0]=3 836 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [0,1,0,0,0,1|1,0,0]=3 837 B13R1.47 CCNC(=O)C(O)c1ccccc1 WXVL_AK00476SB0168 [0,1,0,0,0,1|1,0,0]=3 838 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 WXVL_AG00183SB0343 [0,1,0,0,0,1|1,0,1]=4 839 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 WXVL_AG00183SB0343 [0,1,0,0,0,1|1,0,1]=4 840 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0344 [0,1,0,0,0,1|1,0,0]=3 841 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 WXVL_AG00183SB0344 [0,1,0,0,0,1|1,0,0]=3 842 B13R1.135 CCC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0344 [0,1,0,0,0,1|2,0,0]=4 843 B13R1.135 CCC(=O)C(=O)Nc1ccccn1 WXVL_AF00298SB0344 [0,1,0,0,0,1|2,0,0]=4 844 B13R1.135 CCC(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0054 [0,1,0,0,0,1|1,0,0]=3 845 B13R1.135 CCC(C)C(=O)Nc1ccccc1 WXVL_AG00183SB0054 [0,1,0,0,0,1|1,0,0]=3 846 B13R1.135 CCC(C)C(=O)Nc1ccccn1 WXVL_AF00298SB0054 [0,1,0,0,0,1|2,0,0]=4 847 B13R1.135 CCC(C)C(=O)Nc1ccccn1 WXVL_AF00298SB0054 [0,1,0,0,0,1|2,0,0]=4 848 B13R1.135 CC[C@@H](C)C(=O)Nc1ccccc1 WXVL_AG00183SB00054 [0,1,0,0,0,1|1,0,0]=3 849 B13R1.135 CC[C@@H](C)C(=O)Nc1ccccc1 WXVL_AG00183SB00054 [0,1,0,0,0,1|1,0,0]=3 850 B13R1.135 CC[C@@H](C)C(=O)Nc1ccccn1 WXVL_AF00298SB00054 [0,1,0,0,0,1|2,0,0]=4 851 B13R1.135 CC[C@@H](C)C(=O)Nc1ccccn1 WXVL_AF00298SB00054 [0,1,0,0,0,1|2,0,0]=4 852 B13R1.135 CC[C@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB3573 [0,1,0,0,0,1|1,0,0]=3 853 B13R1.135 CC[C@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB3573 [0,1,0,0,0,1|1,0,0]=3 854 B13R1.135 CC[C@H](O)C(=O)Nc1ccccn1 WXVL_AF00298SB3573 [0,1,0,0,0,1|2,0,0]=4 855 B13R1.135 CC[C@H](O)C(=O)Nc1ccccn1 WXVL_AF00298SB3573 [0,1,0,0,0,1|2,0,0]=4 856 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 WXVL_AG00183SB2926 [0,1,0,0,0,1|2,0,0]=4 857 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 WXVL_AG00183SB2926 [0,1,0,0,0,1|2,0,0]=4 858 B13R1.348 CC(=CC(=O)Nc1ccccc1)C WXVL_AG00183SB0342 [0,1,0,0,0,1|1,0,1]=4 859 B13R1.348 CC(=CC(=O)Nc1ccccc1)C WXVL_AG00183SB0342 [0,1,0,0,0,1|1,0,1]=4 860 B13R1.348 CC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0063 [0,1,0,0,0,1|1,0,0]=3 861 B13R1.348 CC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0063 [0,1,0,0,0,1|1,0,0]=3 862 B13R1.348 CC(C)CC(=O)Nc1ccccn1 WXVL_AF00298SB0063 [0,1,0,0,0,1|2,0,0]=4 863 B13R1.348 CC(C)CC(=O)Nc1ccccn1 WXVL_AF00298SB0063 [0,1,0,0,0,1|2,0,0]=4 864 B13R1.348 CC(C)NC(=O)Cc1ccccc1 WXVL_AK0030SB0092 [0,1,0,0,0,1|1,0,0]=3 865 B13R1.348 CC(C)NC(=O)Cc1ccccc1 WXVL_AK0030SB0092 [0,1,0,0,0,1|1,0,0]=3 866 B13R1.348 CC(C)NC(=O)Cc1ccccn1 WXVL_AK0030SA0032 [0,1,0,0,0,1|2,0,0]=4 867 B13R1.348 CC(C)NC(=O)Cc1ccccn1 WXVL_AK0030SA0032 [0,1,0,0,0,1|2,0,0]=4 868 B13R1.348 CC(C)NC(=O)Cc1cccnc1 WXVL_AK0030SA0029 [0,1,0,0,0,1|2,0,0]=4 869 B13R1.348 CC(C)NC(=O)Cc1cccnc1 WXVL_AK0030SA0029 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.348 CC(C)NC(=O)Cc1cccnc1 WXVL_AK0030SB00049 [0,1,0,0,0,1|2,0,0]=4 871 B13R1.348 CC(C)NC(=O)Cc1cccnc1 WXVL_AK0030SB00049 [0,1,0,0,0,1|2,0,0]=4 872 B13R1.348 CC(C)NC(=O)Cc1ccncc1 WXVL_AK0030SA00106 [0,1,0,0,0,1|2,0,0]=4 873 B13R1.348 CC(C)NC(=O)Cc1ccncc1 WXVL_AK0030SA00106 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.348 CC(C)NC(=O)Nc1ccccn1 WXVL_AK0030YV0189 [0,1,0,0,0,1|2,0,0]=4 875 B13R1.348 CC(C)NC(=O)Nc1ccccn1 WXVL_AK0030YV0189 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.348 CC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3643 [0,1,0,0,0,1|1,0,0]=3 877 B13R1.348 CC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3643 [0,1,0,0,0,1|1,0,0]=3 878 B13R1.348 CC(O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3643 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.348 CC(O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3643 [0,1,0,0,0,1|2,0,0]=4 880 B13R1.348 CN(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0085 [0,1,0,0,0,1|2,0,0]=4 881 B13R1.348 CN(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0085 [0,1,0,0,0,1|2,0,0]=4 882 B13R1.470 C/C=C/C(=O)Nc1ccccc1Br WXVL_AG00180SB0340 [0,1,0,0,0,1|1,0,1]=4 883 B13R1.470 C/C=C/C(=O)Nc1ccccc1Br WXVL_AG00180SB0340 [0,1,0,0,0,1|1,0,1]=4 884 B13R1.470 C/C=C/C(=O)Nc1ccccc1C WXVL_AG0027SB0340 [0,1,0,0,0,1|1,0,1]=4 885 B13R1.470 C/C=C/C(=O)Nc1ccccc1C WXVL_AG0027SB0340 [0,1,0,0,0,1|1,0,1]=4 886 B13R1.470 C/C=C/C(=O)Nc1ccccc1Cl WXVL_AG00129SB0340 [0,1,0,0,0,1|1,0,1]=4 887 B13R1.470 C/C=C/C(=O)Nc1ccccc1Cl WXVL_AG00129SB0340 [0,1,0,0,0,1|1,0,1]=4 888 B13R1.470 C/C=C/C(=O)Nc1ccccc1I WXVL_AG0385SB0340 [0,1,0,0,0,1|1,0,1]=4 889 B13R1.470 C/C=C/C(=O)Nc1ccccc1I WXVL_AG0385SB0340 [0,1,0,0,0,1|1,0,1]=4 890 B13R1.470 CC#CC(=O)Nc1ccccc1Br WXVL_AG00180SB1240 [0,1,0,0,0,1|1,0,1]=4 891 B13R1.470 CC#CC(=O)Nc1ccccc1Br WXVL_AG00180SB1240 [0,1,0,0,0,1|1,0,1]=4 892 B13R1.470 CC#CC(=O)Nc1ccccc1C WXVL_AG0027SB1240 [0,1,0,0,0,1|1,0,1]=4 893 B13R1.470 CC#CC(=O)Nc1ccccc1C WXVL_AG0027SB1240 [0,1,0,0,0,1|1,0,1]=4 894 B13R1.470 CC#CC(=O)Nc1ccccc1Cl WXVL_AG00129SB1240 [0,1,0,0,0,1|1,0,1]=4 895 B13R1.470 CC#CC(=O)Nc1ccccc1Cl WXVL_AG00129SB1240 [0,1,0,0,0,1|1,0,1]=4 896 B13R1.470 CC#CC(=O)Nc1ccccc1I WXVL_AG0385SB1240 [0,1,0,0,0,1|1,0,1]=4 897 B13R1.470 CC#CC(=O)Nc1ccccc1I WXVL_AG0385SB1240 [0,1,0,0,0,1|1,0,1]=4 898 B13R1.470 CCCC(=O)Nc1ccccc1Br WXVL_AG00180SB0073 [0,1,0,0,0,1|1,0,0]=3 899 B13R1.470 CCCC(=O)Nc1ccccc1Br WXVL_AG00180SB0073 [0,1,0,0,0,1|1,0,0]=3 900 B13R1.470 CCCC(=O)Nc1ccccc1C WXVL_AG0027SB0073 [0,1,0,0,0,1|1,0,0]=3 901 B13R1.470 CCCC(=O)Nc1ccccc1C WXVL_AG0027SB0073 [0,1,0,0,0,1|1,0,0]=3 902 B13R1.470 CCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0073 [0,1,0,0,0,1|1,0,0]=3 903 B13R1.470 CCCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0073 [0,1,0,0,0,1|1,0,0]=3 904 B13R1.470 CCCC(=O)Nc1ccccc1I WXVL_AG0385SB0073 [0,1,0,0,0,1|1,0,0]=3 905 B13R1.470 CCCC(=O)Nc1ccccc1I WXVL_AG0385SB0073 [0,1,0,0,0,1|1,0,0]=3 906 B13R1.470 CCCC(=O)Nc1cccnc1Br WXVL_AF0399SB0073 [0,1,0,0,0,1|2,0,0]=4 907 B13R1.470 CCCC(=O)Nc1cccnc1Br WXVL_AF0399SB0073 [0,1,0,0,0,1|2,0,0]=4 908 B13R1.470 CCCC(=O)Nc1cccnc1C WXVL_AF0055SB0073 [0,1,0,0,0,1|2,0,0]=4 909 B13R1.470 CCCC(=O)Nc1cccnc1C WXVL_AF0055SB0073 [0,1,0,0,0,1|2,0,0]=4 910 B13R1.470 CCCC(=O)Nc1cccnc1Cl WXVL_AF0009SB0073 [0,1,0,0,0,1|2,0,0]=4 911 B13R1.470 CCCC(=O)Nc1cccnc1Cl WXVL_AF0009SB0073 [0,1,0,0,0,1|2,0,0]=4 912 B13R1.470 CCCC(=O)Nc1cccnc1F WXVL_AF0419SB0073 [0,1,0,0,0,1|2,0,0]=4 913 B13R1.470 CCCC(=O)Nc1cccnc1F WXVL_AF0419SB0073 [0,1,0,0,0,1|2,0,0]=4 914 B13R1.470 CCCC(=O)Nc1cccnc1I WXVL_AF0681SB0073 [0,1,0,0,0,1|2,0,0]=4 915 B13R1.470 CCCC(=O)Nc1cccnc1I WXVL_AF0681SB0073 [0,1,0,0,0,1|2,0,0]=4 916 B13R1.470 CCCC(=O)Nc1cccnc1O WXVL_AF0440SB0073 [0,1,0,0,0,1|2,0,0]=4 917 B13R1.470 CCCC(=O)Nc1cccnc1O WXVL_AF0440SB0073 [0,1,0,0,0,1|2,0,0]=4 918 B13R1.470 CCCC(=O)Nc1ccncc1C WXVL_AF0049SB0073 [0,1,0,0,0,1|2,0,0]=4 919 B13R1.470 CCCC(=O)Nc1ccncc1C WXVL_AF0049SB0073 [0,1,0,0,0,1|2,0,0]=4 920 B13R1.470 CCCC(=O)Nc1ccncc1Cl WXVL_AF3285SB0073 [0,1,0,0,0,1|2,0,0]=4 921 B13R1.470 CCCC(=O)Nc1ccncc1Cl WXVL_AF3285SB0073 [0,1,0,0,0,1|2,0,0]=4 922 B13R1.470 CCCC(=O)Nc1ccncc1F WXVL_AF2713SB0073 [0,1,0,0,0,1|2,0,0]=4 923 B13R1.470 CCCC(=O)Nc1ccncc1F WXVL_AF2713SB0073 [0,1,0,0,0,1|2,0,0]=4 924 B13R1.470 CCCC(=O)Nc1ccncc1O WXVL_AF0234SB0073 [0,1,0,0,0,1|2,0,0]=4 925 B13R1.470 CCCC(=O)Nc1ccncc1O WXVL_AF0234SB0073 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.470 CCCC(=O)Nc1cnccc1Br WXVL_AF1085SB0073 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.470 CCCC(=O)Nc1cnccc1Br WXVL_AF1085SB0073 [0,1,0,0,0,1|2,0,0]=4 928 B13R1.470 CCCC(=O)Nc1cnccc1C WXVL_AF0075SB0073 [0,1,0,0,0,1|2,0,0]=4 929 B13R1.470 CCCC(=O)Nc1cnccc1C WXVL_AF0075SB0073 [0,1,0,0,0,1|2,0,0]=4 930 B13R1.470 CCCC(=O)Nc1cnccc1Cl WXVL_AF0294SB0073 [0,1,0,0,0,1|2,0,0]=4 931 B13R1.470 CCCC(=O)Nc1cnccc1Cl WXVL_AF0294SB0073 [0,1,0,0,0,1|2,0,0]=4 932 B13R1.470 CCCC(=O)Nc1cnccc1I WXVL_AF0133SB0073 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.470 CCCC(=O)Nc1cnccc1I WXVL_AF0133SB0073 [0,1,0,0,0,1|2,0,0]=4 934 B13R1.470 CCCC(=O)Nc1ncccc1Br WXVL_AF0053SB0073 [0,1,0,0,0,1|2,0,0]=4 935 B13R1.470 CCCC(=O)Nc1ncccc1Br WXVL_AF0053SB0073 [0,1,0,0,0,1|2,0,0]=4 936 B13R1.470 CCCC(=O)Nc1ncccc1C WXVL_AF0013SB0073 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.470 CCCC(=O)Nc1ncccc1C WXVL_AF0013SB0073 [0,1,0,0,0,1|2,0,0]=4 938 B13R1.470 CCCC(=O)Nc1ncccc1Cl WXVL_AF1147SB0073 [0,1,0,0,0,1|2,0,0]=4 939 B13R1.470 CCCC(=O)Nc1ncccc1Cl WXVL_AF1147SB0073 [0,1,0,0,0,1|2,0,0]=4 940 B13R1.470 CCCC(=O)Nc1ncccc1F WXVL_AF0321SB0073 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.470 CCCC(=O)Nc1ncccc1F WXVL_AF0321SB0073 [0,1,0,0,0,1|2,0,0]=4 942 B13R1.470 CCCC(=O)Nc1ncccc1I WXVL_AF0298SB0073 [0,1,0,0,0,1|2,0,0]=4 943 B13R1.470 CCCC(=O)Nc1ncccc1I WXVL_AF0298SB0073 [0,1,0,0,0,1|2,0,0]=4 944 B13R1.470 CCCC(=O)Nc1ncccc1O WXVL_AF0347SB0073 [0,1,0,0,0,1|2,0,0]=4 945 B13R1.470 CCCC(=O)Nc1ncccc1O WXVL_AF0347SB0073 [0,1,0,0,0,1|2,0,0]=4 946 B13R1.470 CCNC(=O)Cc1ccccc1Br WXVL_AK00476SB0093 [0,1,0,0,0,1|1,0,0]=3 947 B13R1.470 CCNC(=O)Cc1ccccc1Br WXVL_AK00476SB0093 [0,1,0,0,0,1|1,0,0]=3 948 B13R1.470 CCNC(=O)Cc1ccccc1C WXVL_AK00476SB0098 [0,1,0,0,0,1|1,0,0]=3 949 B13R1.470 CCNC(=O)Cc1ccccc1C WXVL_AK00476SB0098 [0,1,0,0,0,1|1,0,0]=3 950 B13R1.470 CCNC(=O)Cc1ccccc1Cl WXVL_AK00476SB0095 [0,1,0,0,0,1|1,0,0]=3 951 B13R1.470 CCNC(=O)Cc1ccccc1Cl WXVL_AK00476SB0095 [0,1,0,0,0,1|1,0,0]=3 952 B13R1.470 CCNC(=O)Cc1ccccc1F WXVL_AK00476SB0094 [0,1,0,0,0,1|1,0,0]=3 953 B13R1.470 CCNC(=O)Cc1ccccc1F WXVL_AK00476SB0094 [0,1,0,0,0,1|1,0,0]=3 954 B13R1.470 CCNC(=O)Cc1ccccc1I WXVL_AK00476SB1145 [0,1,0,0,0,1|1,0,0]=3 955 B13R1.470 CCNC(=O)Cc1ccccc1I WXVL_AK00476SB1145 [0,1,0,0,0,1|1,0,0]=3 956 B13R1.470 CCNC(=O)Cc1ccccc1O WXVL_AK00476SB0400 [0,1,0,0,0,1|1,0,0]=3 957 B13R1.470 CCNC(=O)Cc1ccccc1O WXVL_AK00476SB0400 [0,1,0,0,0,1|1,0,0]=3 958 B13R1.470 CCNC(=O)Cc1cccnc1Cl WXVL_AK00476SA0056 [0,1,0,0,0,1|2,0,0]=4 959 B13R1.470 CCNC(=O)Cc1cccnc1Cl WXVL_AK00476SA0056 [0,1,0,0,0,1|2,0,0]=4 960 B13R1.470 CCNC(=O)Nc1ccccc1Br WXVL_AK00476YV0003 [0,1,0,0,0,1|1,0,0]=3 961 B13R1.470 CCNC(=O)Nc1ccccc1Br WXVL_AK00476YV0003 [0,1,0,0,0,1|1,0,0]=3 962 B13R1.470 CCNC(=O)Nc1ccccc1C WXVL_AK00476YV0013 [0,1,0,0,0,1|1,0,0]=3 963 B13R1.470 CCNC(=O)Nc1ccccc1C WXVL_AK00476YV0013 [0,1,0,0,0,1|1,0,0]=3 964 B13R1.470 CCNC(=O)Nc1ccccc1Cl WXVL_AK00476YV0007 [0,1,0,0,0,1|1,0,0]=3 965 B13R1.470 CCNC(=O)Nc1ccccc1Cl WXVL_AK00476YV0007 [0,1,0,0,0,1|1,0,0]=3 966 B13R1.470 COCC(=O)Nc1ccccc1Br WXVL_AG00180SB0090 [0,1,0,0,0,1|2,0,0]=4 967 B13R1.470 COCC(=O)Nc1ccccc1Br WXVL_AG00180SB0090 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.470 COCC(=O)Nc1ccccc1C WXVL_AG0027SB0090 [0,1,0,0,0,1|2,0,0]=4 969 B13R1.470 COCC(=O)Nc1ccccc1C WXVL_AG0027SB0090 [0,1,0,0,0,1|2,0,0]=4 970 B13R1.470 COCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0090 [0,1,0,0,0,1|2,0,0]=4 971 B13R1.470 COCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0090 [0,1,0,0,0,1|2,0,0]=4 972 B13R1.470 COCC(=O)Nc1ccccc1I WXVL_AG0385SB0090 [0,1,0,0,0,1|2,0,0]=4 973 B13R1.470 COCC(=O)Nc1ccccc1I WXVL_AG0385SB0090 [0,1,0,0,0,1|2,0,0]=4 974 B13R1.470 CSCC(=O)Nc1ccccc1Br WXVL_AG00180SB1267 [0,1,0,0,0,1|2,0,0]=4 975 B13R1.470 CSCC(=O)Nc1ccccc1Br WXVL_AG00180SB1267 [0,1,0,0,0,1|2,0,0]=4 976 B13R1.470 CSCC(=O)Nc1ccccc1C WXVL_AG0027SB1267 [0,1,0,0,0,1|2,0,0]=4 977 B13R1.470 CSCC(=O)Nc1ccccc1C WXVL_AG0027SB1267 [0,1,0,0,0,1|2,0,0]=4 978 B13R1.470 CSCC(=O)Nc1ccccc1Cl WXVL_AG00129SB1267 [0,1,0,0,0,1|2,0,0]=4 979 B13R1.470 CSCC(=O)Nc1ccccc1Cl WXVL_AG00129SB1267 [0,1,0,0,0,1|2,0,0]=4 980 B13R1.470 CSCC(=O)Nc1ccccc1I WXVL_AG0385SB1267 [0,1,0,0,0,1|2,0,0]=4 981 B13R1.470 CSCC(=O)Nc1ccccc1I WXVL_AG0385SB1267 [0,1,0,0,0,1|2,0,0]=4 982 B13R1.1327 CCCS(=O)(=O)Nc1ccccc1 WXVL_AG00183HU0030 [0,1,0,0,0,1|2,0,0]=4 983 B13R1.1327 CCCS(=O)(=O)Nc1ccccc1 WXVL_AG00183HU0030 [0,1,0,0,0,1|2,0,0]=4 984 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 WXVL_AK00476HU0025 [0,1,0,0,0,1|2,0,0]=4 985 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 WXVL_AK00476HU0025 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br WXVL_AK00561SD0060 [0,2,0,0,0,0|1,0,1]=4 987 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br WXVL_AK00561SD0060 [0,2,0,0,0,0|1,0,1]=4 988 B13R1.17 C=CCNC(=O)c1ccc(cc1)C WXVL_AK00561SD0078 [0,2,0,0,0,0|1,0,1]=4 989 B13R1.17 C=CCNC(=O)c1ccc(cc1)C WXVL_AK00561SD0078 [0,2,0,0,0,0|1,0,1]=4 990 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl WXVL_AK00561SD0062 [0,2,0,0,0,0|1,0,1]=4 991 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl WXVL_AK00561SD0062 [0,2,0,0,0,0|1,0,1]=4 992 B13R1.17 C=CCNC(=O)c1ccc(cc1)F WXVL_AK00561SD0061 [0,2,0,0,0,0|1,0,1]=4 993 B13R1.17 C=CCNC(=O)c1ccc(cc1)F WXVL_AK00561SD0061 [0,2,0,0,0,0|1,0,1]=4 994 B13R1.17 C=CCNC(=O)c1ccc(cc1)I WXVL_AK00561SD0421 [0,2,0,0,0,0|1,0,1]=4 995 B13R1.17 C=CCNC(=O)c1ccc(cc1)I WXVL_AK00561SD0421 [0,2,0,0,0,0|1,0,1]=4 996 B13R1.17 C=CCNC(=O)c1ccc(cc1)O WXVL_AK00561SD0069 [0,2,0,0,0,0|1,0,1]=4 997 B13R1.17 C=CCNC(=O)c1ccc(cc1)O WXVL_AK00561SD0069 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.17 C=CCNC(=O)c1ccc(cc1)S WXVL_AK00561SD0154 [0,2,0,0,0,0|1,0,1]=4 999 B13R1.17 C=CCNC(=O)c1ccc(cc1)S WXVL_AK00561SD0154 [0,2,0,0,0,0|1,0,1]=4 1000 B13R1.17 CCCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00504SC0858 [0,2,0,0,0,0|2,0,0]=4 1001 B13R1.17 CCCNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00504SC0858 [0,2,0,0,0,0|2,0,0]=4 1002 B13R1.17 CCCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00504SC2212 [0,2,0,0,0,0|2,0,0]=4 1003 B13R1.17 CCCNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00504SC2212 [0,2,0,0,0,0|2,0,0]=4 1004 B13R1.17 CCCNC(=O)c1ccc(=O)oc1 WXVL_AK00504SC0132 [0,2,0,0,0,0|2,0,0]=4 1005 B13R1.17 CCCNC(=O)c1ccc(=O)oc1 WXVL_AK00504SC0132 [0,2,0,0,0,0|2,0,0]=4 1006 B13R1.17 CCCNC(=O)c1ccc(cc1)Br WXVL_AK00504SD0060 [0,2,0,0,0,0|1,0,0]=3 1007 B13R1.17 CCCNC(=O)c1ccc(cc1)Br WXVL_AK00504SD0060 [0,2,0,0,0,0|1,0,0]=3 1008 B13R1.17 CCCNC(=O)c1ccc(cc1)C WXVL_AK00504SD0078 [0,2,0,0,0,0|1,0,0]=3 1009 B13R1.17 CCCNC(=O)c1ccc(cc1)C WXVL_AK00504SD0078 [0,2,0,0,0,0|1,0,0]=3 1010 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl WXVL_AK00504SD0062 [0,2,0,0,0,0|1,0,0]=3 1011 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl WXVL_AK00504SD0062 [0,2,0,0,0,0|1,0,0]=3 1012 B13R1.17 CCCNC(=O)c1ccc(cc1)F WXVL_AK00504SD0061 [0,2,0,0,0,0|1,0,0]=3 1013 B13R1.17 CCCNC(=O)c1ccc(cc1)F WXVL_AK00504SD0061 [0,2,0,0,0,0|1,0,0]=3 1014 B13R1.17 CCCNC(=O)c1ccc(cc1)I WXVL_AK00504SD0421 [0,2,0,0,0,0|1,0,0]=3 1015 B13R1.17 CCCNC(=O)c1ccc(cc1)I WXVL_AK00504SD0421 [0,2,0,0,0,0|1,0,0]=3 1016 B13R1.17 CCCNC(=O)c1ccc(cc1)O WXVL_AK00504SD0069 [0,2,0,0,0,0|1,0,0]=3 1017 B13R1.17 CCCNC(=O)c1ccc(cc1)O WXVL_AK00504SD0069 [0,2,0,0,0,0|1,0,0]=3 1018 B13R1.17 CCCNC(=O)c1ccc(cc1)S WXVL_AK00504SD0154 [0,2,0,0,0,0|1,0,0]=3 1019 B13R1.17 CCCNC(=O)c1ccc(cc1)S WXVL_AK00504SD0154 [0,2,0,0,0,0|1,0,0]=3 1020 B13R1.17 CCCNC(=O)c1ccc(cn1)Br WXVL_AK00504SC0363 [0,2,0,0,0,0|2,0,0]=4 1021 B13R1.17 CCCNC(=O)c1ccc(cn1)Br WXVL_AK00504SC0363 [0,2,0,0,0,0|2,0,0]=4 1022 B13R1.17 CCCNC(=O)c1ccc(cn1)C WXVL_AK00504SC0104 [0,2,0,0,0,0|2,0,0]=4 1023 B13R1.17 CCCNC(=O)c1ccc(cn1)C WXVL_AK00504SC0104 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl WXVL_AK00504SC0381 [0,2,0,0,0,0|2,0,0]=4 1025 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl WXVL_AK00504SC0381 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.17 CCCNC(=O)c1ccc(cn1)F WXVL_AK00504SC0114 [0,2,0,0,0,0|2,0,0]=4 1027 B13R1.17 CCCNC(=O)c1ccc(cn1)F WXVL_AK00504SC0114 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.17 CCCNC(=O)c1ccc(cn1)O WXVL_AK00504SC0130 [0,2,0,0,0,0|2,0,0]=4 1029 B13R1.17 CCCNC(=O)c1ccc(cn1)O WXVL_AK00504SC0130 [0,2,0,0,0,0|2,0,0]=4 1030 B13R1.17 CCCNC(=O)c1ccc(nc1)Br WXVL_AK00504SC0352 [0,2,0,0,0,0|2,0,0]=4 1031 B13R1.17 CCCNC(=O)c1ccc(nc1)Br WXVL_AK00504SC0352 [0,2,0,0,0,0|2,0,0]=4 1032 B13R1.17 CCCNC(=O)c1ccc(nc1)C WXVL_AK00504SC0060 [0,2,0,0,0,0|2,0,0]=4 1033 B13R1.17 CCCNC(=O)c1ccc(nc1)C WXVL_AK00504SC0060 [0,2,0,0,0,0|2,0,0]=4 1034 B13R1.17 CCCNC(=O)c1ccc(nc1)Cl WXVL_AK00504SC0147 [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.17 CCCNC(=O)c1ccc(nc1)Cl WXVL_AK00504SC0147 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.17 CCCNC(=O)c1ccc(nc1)F WXVL_AK00504SC0370 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.17 CCCNC(=O)c1ccc(nc1)F WXVL_AK00504SC0370 [0,2,0,0,0,0|2,0,0]=4 1038 B13R1.17 CCCNC(=O)c1ccc(nc1)O WXVL_AK00504SC0057 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.17 CCCNC(=O)c1ccc(nc1)O WXVL_AK00504SC0057 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N WXVL_AK0683SD0078 [0,2,0,0,0,0|1,0,1]=4 1041 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N WXVL_AK0683SD0078 [0,2,0,0,0,0|1,0,1]=4 1042 B13R1.17 Cc1ccc(cc1)C(=O)NCCF WXVL_AK00466SD0078 [0,2,0,0,0,0|1,0,0]=3 1043 B13R1.17 Cc1ccc(cc1)C(=O)NCCF WXVL_AK00466SD0078 [0,2,0,0,0,0|1,0,0]=3 1044 B13R1.17 Cc1ccc(cn1)C(=O)NCCF WXVL_AK00466SC0060 [0,2,0,0,0,0|2,0,0]=4 1045 B13R1.17 Cc1ccc(cn1)C(=O)NCCF WXVL_AK00466SC0060 [0,2,0,0,0,0|2,0,0]=4 1046 B13R1.17 Cc1ccc(nc1)C(=O)NCCF WXVL_AK00466SC0104 [0,2,0,0,0,0|2,0,0]=4 1047 B13R1.17 Cc1ccc(nc1)C(=O)NCCF WXVL_AK00466SC0104 [0,2,0,0,0,0|2,0,0]=4 1048 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br WXVL_AK0683SD0060 [0,2,0,0,0,0|1,0,1]=4 1049 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br WXVL_AK0683SD0060 [0,2,0,0,0,0|1,0,1]=4 1050 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl WXVL_AK0683SD0062 [0,2,0,0,0,0|1,0,1]=4 1051 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl WXVL_AK0683SD0062 [0,2,0,0,0,0|1,0,1]=4 1052 B13R1.17 N#CCNC(=O)c1ccc(cc1)F WXVL_AK0683SD0061 [0,2,0,0,0,0|1,0,1]=4 1053 B13R1.17 N#CCNC(=O)c1ccc(cc1)F WXVL_AK0683SD0061 [0,2,0,0,0,0|1,0,1]=4 1054 B13R1.17 N#CCNC(=O)c1ccc(cc1)I WXVL_AK0683SD0421 [0,2,0,0,0,0|1,0,1]=4 1055 B13R1.17 N#CCNC(=O)c1ccc(cc1)I WXVL_AK0683SD0421 [0,2,0,0,0,0|1,0,1]=4 1056 B13R1.17 N#CCNC(=O)c1ccc(cc1)O WXVL_AK0683SD0069 [0,2,0,0,0,0|1,0,1]=4 1057 B13R1.17 N#CCNC(=O)c1ccc(cc1)O WXVL_AK0683SD0069 [0,2,0,0,0,0|1,0,1]=4 1058 B13R1.17 N#CCNC(=O)c1ccc(cc1)S WXVL_AK0683SD0154 [0,2,0,0,0,0|1,0,1]=4 1059 B13R1.17 N#CCNC(=O)c1ccc(cc1)S WXVL_AK0683SD0154 [0,2,0,0,0,0|1,0,1]=4 1060 B13R1.17 O=C(NCCF)c1cc[n+](cc1)[O-] WXVL_AK00466SC0858 [0,2,0,0,0,0|2,0,0]=4 1061 B13R1.17 O=C(NCCF)c1cc[n+](cc1)[O-] WXVL_AK00466SC0858 [0,2,0,0,0,0|2,0,0]=4 1062 B13R1.17 O=C(NCCF)c1ccc(=O)[nH]c1 WXVL_AK00466SC2212 [0,2,0,0,0,0|2,0,0]=4 1063 B13R1.17 O=C(NCCF)c1ccc(=O)[nH]c1 WXVL_AK00466SC2212 [0,2,0,0,0,0|2,0,0]=4 1064 B13R1.17 O=C(NCCF)c1ccc(=O)oc1 WXVL_AK00466SC0132 [0,2,0,0,0,0|2,0,0]=4 1065 B13R1.17 O=C(NCCF)c1ccc(=O)oc1 WXVL_AK00466SC0132 [0,2,0,0,0,0|2,0,0]=4 1066 B13R1.17 O=C(NCCF)c1ccc(cc1)Br WXVL_AK00466SD0060 [0,2,0,0,0,0|1,0,0]=3 1067 B13R1.17 O=C(NCCF)c1ccc(cc1)Br WXVL_AK00466SD0060 [0,2,0,0,0,0|1,0,0]=3 1068 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl WXVL_AK00466SD0062 [0,2,0,0,0,0|1,0,0]=3 1069 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl WXVL_AK00466SD0062 [0,2,0,0,0,0|1,0,0]=3 1070 B13R1.17 O=C(NCCF)c1ccc(cc1)F WXVL_AK00466SD0061 [0,2,0,0,0,0|1,0,0]=3 1071 B13R1.17 O=C(NCCF)c1ccc(cc1)F WXVL_AK00466SD0061 [0,2,0,0,0,0|1,0,0]=3 1072 B13R1.17 O=C(NCCF)c1ccc(cc1)I WXVL_AK00466SD0421 [0,2,0,0,0,0|1,0,0]=3 1073 B13R1.17 O=C(NCCF)c1ccc(cc1)I WXVL_AK00466SD0421 [0,2,0,0,0,0|1,0,0]=3 1074 B13R1.17 O=C(NCCF)c1ccc(cc1)O WXVL_AK00466SD0069 [0,2,0,0,0,0|1,0,0]=3 1075 B13R1.17 O=C(NCCF)c1ccc(cc1)O WXVL_AK00466SD0069 [0,2,0,0,0,0|1,0,0]=3 1076 B13R1.17 O=C(NCCF)c1ccc(cc1)S WXVL_AK00466SD0154 [0,2,0,0,0,0|1,0,0]=3 1077 B13R1.17 O=C(NCCF)c1ccc(cc1)S WXVL_AK00466SD0154 [0,2,0,0,0,0|1,0,0]=3 1078 B13R1.17 O=C(NCCF)c1ccc(cn1)Br WXVL_AK00466SC0363 [0,2,0,0,0,0|2,0,0]=4 1079 B13R1.17 O=C(NCCF)c1ccc(cn1)Br WXVL_AK00466SC0363 [0,2,0,0,0,0|2,0,0]=4 1080 B13R1.17 O=C(NCCF)c1ccc(cn1)Cl WXVL_AK00466SC0381 [0,2,0,0,0,0|2,0,0]=4 1081 B13R1.17 O=C(NCCF)c1ccc(cn1)Cl WXVL_AK00466SC0381 [0,2,0,0,0,0|2,0,0]=4 1082 B13R1.17 O=C(NCCF)c1ccc(cn1)F WXVL_AK00466SC0114 [0,2,0,0,0,0|2,0,0]=4 1083 B13R1.17 O=C(NCCF)c1ccc(cn1)F WXVL_AK00466SC0114 [0,2,0,0,0,0|2,0,0]=4 1084 B13R1.17 O=C(NCCF)c1ccc(cn1)O WXVL_AK00466SC0130 [0,2,0,0,0,0|2,0,0]=4 1085 B13R1.17 O=C(NCCF)c1ccc(cn1)O WXVL_AK00466SC0130 [0,2,0,0,0,0|2,0,0]=4 1086 B13R1.17 O=C(NCCF)c1ccc(nc1)Br WXVL_AK00466SC0352 [0,2,0,0,0,0|2,0,0]=4 1087 B13R1.17 O=C(NCCF)c1ccc(nc1)Br WXVL_AK00466SC0352 [0,2,0,0,0,0|2,0,0]=4 1088 B13R1.17 O=C(NCCF)c1ccc(nc1)Cl WXVL_AK00466SC0147 [0,2,0,0,0,0|2,0,0]=4 1089 B13R1.17 O=C(NCCF)c1ccc(nc1)Cl WXVL_AK00466SC0147 [0,2,0,0,0,0|2,0,0]=4 1090 B13R1.17 O=C(NCCF)c1ccc(nc1)F WXVL_AK00466SC0370 [0,2,0,0,0,0|2,0,0]=4 1091 B13R1.17 O=C(NCCF)c1ccc(nc1)F WXVL_AK00466SC0370 [0,2,0,0,0,0|2,0,0]=4 1092 B13R1.17 O=C(NCCF)c1ccc(nc1)O WXVL_AK00466SC0057 [0,2,0,0,0,0|2,0,0]=4 1093 B13R1.17 O=C(NCCF)c1ccc(nc1)O WXVL_AK00466SC0057 [0,2,0,0,0,0|2,0,0]=4 1094 B13R1.21 CNC(=O)C(=O)c1ccc(cc1)C WXVL_AK00442SB7750 [0,2,0,0,0,0|2,0,0]=4 1095 B13R1.21 CNC(=O)C(=O)c1ccc(cc1)C WXVL_AK00442SB7750 [0,2,0,0,0,0|2,0,0]=4 1096 B13R1.21 CNC(=O)C(=O)c1ccc(cc1)Cl WXVL_AK00442SB3791 [0,2,0,0,0,0|2,0,0]=4 1097 B13R1.21 CNC(=O)C(=O)c1ccc(cc1)Cl WXVL_AK00442SB3791 [0,2,0,0,0,0|2,0,0]=4 1098 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl WXVL_AK00476HU0016 [0,2,0,0,0,0|2,0,0]=4 1099 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl WXVL_AK00476HU0016 [0,2,0,0,0,0|2,0,0]=4 1100 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F WXVL_AK00476HU0015 [0,2,0,0,0,0|2,0,0]=4 1101 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F WXVL_AK00476HU0015 [0,2,0,0,0,0|2,0,0]=4 1102 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)I WXVL_AK00476HU0017 [0,2,0,0,0,0|2,0,0]=4 1103 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)I WXVL_AK00476HU0017 [0,2,0,0,0,0|2,0,0]=4 1104 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O WXVL_AK00476HU0459 [0,2,0,0,0,0|2,0,0]=4 1105 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O WXVL_AK00476HU0459 [0,2,0,0,0,0|2,0,0]=4 1106 B13R1.132 CC(C)NC(=O)c1cc[n+](cc1)[O-] WXVL_AK0030SC0858 [0,2,0,0,0,0|2,0,0]=4 1107 B13R1.132 CC(C)NC(=O)c1cc[n+](cc1)[O-] WXVL_AK0030SC0858 [0,2,0,0,0,0|2,0,0]=4 1108 B13R1.132 CC(C)NC(=O)c1ccc(=O)[nH]c1 WXVL_AK0030SC2212 [0,2,0,0,0,0|2,0,0]=4 1109 B13R1.132 CC(C)NC(=O)c1ccc(=O)[nH]c1 WXVL_AK0030SC2212 [0,2,0,0,0,0|2,0,0]=4 1110 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 WXVL_AK0030SC0132 [0,2,0,0,0,0|2,0,0]=4 1111 B13R1.132 CC(C)NC(=O)c1ccc(=O)oc1 WXVL_AK0030SC0132 [0,2,0,0,0,0|2,0,0]=4 1112 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br WXVL_AK0030SD0060 [0,2,0,0,0,0|1,0,0]=3 1113 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br WXVL_AK0030SD0060 [0,2,0,0,0,0|1,0,0]=3 1114 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl WXVL_AK0030SD0062 [0,2,0,0,0,0|1,0,0]=3 1115 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl WXVL_AK0030SD0062 [0,2,0,0,0,0|1,0,0]=3 1116 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F WXVL_AK0030SD0061 [0,2,0,0,0,0|1,0,0]=3 1117 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F WXVL_AK0030SD0061 [0,2,0,0,0,0|1,0,0]=3 1118 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I WXVL_AK0030SD0421 [0,2,0,0,0,0|1,0,0]=3 1119 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I WXVL_AK0030SD0421 [0,2,0,0,0,0|1,0,0]=3 1120 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O WXVL_AK0030SD0069 [0,2,0,0,0,0|1,0,0]=3 1121 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O WXVL_AK0030SD0069 [0,2,0,0,0,0|1,0,0]=3 1122 B13R1.132 CC(C)NC(=O)c1ccc(cc1)S WXVL_AK0030SD0154 [0,2,0,0,0,0|1,0,0]=3 1123 B13R1.132 CC(C)NC(=O)c1ccc(cc1)S WXVL_AK0030SD0154 [0,2,0,0,0,0|1,0,0]=3 1124 B13R1.132 CC(C)NC(=O)c1ccc(cn1)Br WXVL_AK0030SC0363 [0,2,0,0,0,0|2,0,0]=4 1125 B13R1.132 CC(C)NC(=O)c1ccc(cn1)Br WXVL_AK0030SC0363 [0,2,0,0,0,0|2,0,0]=4 1126 B13R1.132 CC(C)NC(=O)c1ccc(cn1)Cl WXVL_AK0030SC0381 [0,2,0,0,0,0|2,0,0]=4 1127 B13R1.132 CC(C)NC(=O)c1ccc(cn1)Cl WXVL_AK0030SC0381 [0,2,0,0,0,0|2,0,0]=4 1128 B13R1.132 CC(C)NC(=O)c1ccc(cn1)F WXVL_AK0030SC0114 [0,2,0,0,0,0|2,0,0]=4 1129 B13R1.132 CC(C)NC(=O)c1ccc(cn1)F WXVL_AK0030SC0114 [0,2,0,0,0,0|2,0,0]=4 1130 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O WXVL_AK0030SC0130 [0,2,0,0,0,0|2,0,0]=4 1131 B13R1.132 CC(C)NC(=O)c1ccc(cn1)O WXVL_AK0030SC0130 [0,2,0,0,0,0|2,0,0]=4 1132 B13R1.132 CC(C)NC(=O)c1ccc(nc1)Br WXVL_AK0030SC0352 [0,2,0,0,0,0|2,0,0]=4 1133 B13R1.132 CC(C)NC(=O)c1ccc(nc1)Br WXVL_AK0030SC0352 [0,2,0,0,0,0|2,0,0]=4 1134 B13R1.132 CC(C)NC(=O)c1ccc(nc1)Cl WXVL_AK0030SC0147 [0,2,0,0,0,0|2,0,0]=4 1135 B13R1.132 CC(C)NC(=O)c1ccc(nc1)Cl WXVL_AK0030SC0147 [0,2,0,0,0,0|2,0,0]=4 1136 B13R1.132 CC(C)NC(=O)c1ccc(nc1)F WXVL_AK0030SC0370 [0,2,0,0,0,0|2,0,0]=4 1137 B13R1.132 CC(C)NC(=O)c1ccc(nc1)F WXVL_AK0030SC0370 [0,2,0,0,0,0|2,0,0]=4 1138 B13R1.132 CC(C)NC(=O)c1ccc(nc1)O WXVL_AK0030SC0057 [0,2,0,0,0,0|2,0,0]=4 1139 B13R1.132 CC(C)NC(=O)c1ccc(nc1)O WXVL_AK0030SC0057 [0,2,0,0,0,0|2,0,0]=4 1140 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C WXVL_AK0030SD0078 [0,2,0,0,0,0|1,0,0]=3 1141 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C WXVL_AK0030SD0078 [0,2,0,0,0,0|1,0,0]=3 1142 B13R1.132 Cc1ccc(cn1)C(=O)NC(C)C WXVL_AK0030SC0060 [0,2,0,0,0,0|2,0,0]=4 1143 B13R1.132 Cc1ccc(cn1)C(=O)NC(C)C WXVL_AK0030SC0060 [0,2,0,0,0,0|2,0,0]=4 1144 B13R1.132 Cc1ccc(nc1)C(=O)NC(C)C WXVL_AK0030SC0104 [0,2,0,0,0,0|2,0,0]=4 1145 B13R1.132 Cc1ccc(nc1)C(=O)NC(C)C WXVL_AK0030SC0104 [0,2,0,0,0,0|2,0,0]=4 1146 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC WXVL_AK00476SD0813 [0,2,0,0,0,0|1,0,0]=3 1147 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC WXVL_AK00476SD0813 [0,2,0,0,0,0|1,0,0]=3 1148 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC WXVL_AK00476SD0529 [0,2,0,0,0,0|1,0,0]=3 1149 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC WXVL_AK00476SD0529 [0,2,0,0,0,0|1,0,0]=3 1150 B13R1.452 CCNC(=O)c1ccc(cc1)CC WXVL_AK00476SD0080 [0,2,0,0,0,0|1,0,0]=3 1151 B13R1.452 CCNC(=O)c1ccc(cc1)CC WXVL_AK00476SD0080 [0,2,0,0,0,0|1,0,0]=3 1152 B13R1.452 CCNC(=O)c1ccc(cc1)CO WXVL_AK00476SD0451 [0,2,0,0,0,0|1,0,0]=3 1153 B13R1.452 CCNC(=O)c1ccc(cc1)CO WXVL_AK00476SD0451 [0,2,0,0,0,0|1,0,0]=3 1154 B13R1.452 CCNC(=O)c1ccc(cc1)OC WXVL_AK00476SD0066 [0,2,0,0,0,0|1,0,0]=3 1155 B13R1.452 CCNC(=O)c1ccc(cc1)OC WXVL_AK00476SD0066 [0,2,0,0,0,0|1,0,0]=3 1156 B13R1.452 CCNC(=O)c1ccc(cc1)SC WXVL_AK00476SD0072 [0,2,0,0,0,0|1,0,0]=3 1157 B13R1.452 CCNC(=O)c1ccc(cc1)SC WXVL_AK00476SD0072 [0,2,0,0,0,0|1,0,0]=3 1158 B13R1.452 CCNC(=O)c1ccc(nc1)CC WXVL_AK00476SC0043 [0,2,0,0,0,0|2,0,0]=4 1159 B13R1.452 CCNC(=O)c1ccc(nc1)CC WXVL_AK00476SC0043 [0,2,0,0,0,0|2,0,0]=4 1160 B13R1.452 CCNC(=O)c1ccc(nc1)OC WXVL_AK00476SC0019 [0,2,0,0,0,0|2,0,0]=4 1161 B13R1.452 CCNC(=O)c1ccc(nc1)OC WXVL_AK00476SC0019 [0,2,0,0,0,0|2,0,0]=4 1162 B13R1.452 CCOC(=O)c1cnc(nc1)NC WXVL_AK00442LP0196 [0,2,0,0,0,0|2,0,0]=4 1163 B13R1.452 CCOC(=O)c1cnc(nc1)NC WXVL_AK00442LP0196 [0,2,0,0,0,0|2,0,0]=4 1164 B13R1.466 CCNC(=O)c1cc(c(cn1)Br)C WXVL_AK00476SC0194 [0,2,0,0,0,0|2,0,0]=4 1165 B13R1.466 CCNC(=O)c1cc(c(cn1)Br)C WXVL_AK00476SC0194 [0,2,0,0,0,0|2,0,0]=4 1166 B13R1.466 CCNC(=O)c1cc(c(cn1)C)Br WXVL_AK00476SC1641 [0,2,0,0,0,0|2,0,0]=4 1167 B13R1.466 CCNC(=O)c1cc(c(cn1)C)Br WXVL_AK00476SC1641 [0,2,0,0,0,0|2,0,0]=4 1168 B13R1.466 CCNC(=O)c1cc(c(cn1)Cl)Cl WXVL_AK00476SC1450 [0,2,0,0,0,0|2,0,0]=4 1169 B13R1.466 CCNC(=O)c1cc(c(cn1)Cl)Cl WXVL_AK00476SC1450 [0,2,0,0,0,0|2,0,0]=4 1170 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br WXVL_AK00476SD1271 [0,2,0,0,0,0|1,0,0]=3 1171 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br WXVL_AK00476SD1271 [0,2,0,0,0,0|1,0,0]=3 1172 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C WXVL_AK00476SD0042 [0,2,0,0,0,0|1,0,0]=3 1173 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C WXVL_AK00476SD0042 [0,2,0,0,0,0|1,0,0]=3 1174 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl WXVL_AK00476SD0496 [0,2,0,0,0,0|1,0,0]=3 1175 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl WXVL_AK00476SD0496 [0,2,0,0,0,0|1,0,0]=3 1176 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F WXVL_AK00476SD0435 [0,2,0,0,0,0|1,0,0]=3 1177 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F WXVL_AK00476SD0435 [0,2,0,0,0,0|1,0,0]=3 1178 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I WXVL_AK00476SD0333 [0,2,0,0,0,0|1,0,0]=3 1179 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I WXVL_AK00476SD0333 [0,2,0,0,0,0|1,0,0]=3 1180 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O WXVL_AK00476SD0263 [0,2,0,0,0,0|1,0,0]=3 1181 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O WXVL_AK00476SD0263 [0,2,0,0,0,0|1,0,0]=3 1182 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br WXVL_AK00476SD0103 [0,2,0,0,0,0|1,0,0]=3 1183 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br WXVL_AK00476SD0103 [0,2,0,0,0,0|1,0,0]=3 1184 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C WXVL_AK00476SD0057 [0,2,0,0,0,0|1,0,0]=3 1185 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C WXVL_AK00476SD0057 [0,2,0,0,0,0|1,0,0]=3 1186 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl WXVL_AK00476SD0115 [0,2,0,0,0,0|1,0,0]=3 1187 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl WXVL_AK00476SD0115 [0,2,0,0,0,0|1,0,0]=3 1188 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F WXVL_AK00476SD0507 [0,2,0,0,0,0|1,0,0]=3 1189 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F WXVL_AK00476SD0507 [0,2,0,0,0,0|1,0,0]=3 1190 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I WXVL_AK00476SD0536 [0,2,0,0,0,0|1,0,0]=3 1191 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I WXVL_AK00476SD0536 [0,2,0,0,0,0|1,0,0]=3 1192 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O WXVL_AK00476SD0489 [0,2,0,0,0,0|1,0,0]=3 1193 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O WXVL_AK00476SD0489 [0,2,0,0,0,0|1,0,0]=3 1194 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br WXVL_AK00476SD0457 [0,2,0,0,0,0|1,0,0]=3 1195 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br WXVL_AK00476SD0457 [0,2,0,0,0,0|1,0,0]=3 1196 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C WXVL_AK00476SD0113 [0,2,0,0,0,0|1,0,0]=3 1197 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C WXVL_AK00476SD0113 [0,2,0,0,0,0|1,0,0]=3 1198 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl WXVL_AK00476SD0046 [0,2,0,0,0,0|1,0,0]=3 1199 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl WXVL_AK00476SD0046 [0,2,0,0,0,0|1,0,0]=3 1200 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F WXVL_AK00476SD0107 [0,2,0,0,0,0|1,0,0]=3 1201 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F WXVL_AK00476SD0107 [0,2,0,0,0,0|1,0,0]=3 1202 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I WXVL_AK00476SD1017 [0,2,0,0,0,0|1,0,0]=3 1203 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I WXVL_AK00476SD1017 [0,2,0,0,0,0|1,0,0]=3 1204 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O WXVL_AK00476SD0177 [0,2,0,0,0,0|1,0,0]=3 1205 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O WXVL_AK00476SD0177 [0,2,0,0,0,0|1,0,0]=3 1206 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br WXVL_AK00476SD0440 [0,2,0,0,0,0|1,0,0]=3 1207 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br WXVL_AK00476SD0440 [0,2,0,0,0,0|1,0,0]=3 1208 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C WXVL_AK00476SD0044 [0,2,0,0,0,0|1,0,0]=3 1209 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C WXVL_AK00476SD0044 [0,2,0,0,0,0|1,0,0]=3 1210 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl WXVL_AK00476SD0414 [0,2,0,0,0,0|1,0,0]=3 1211 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl WXVL_AK00476SD0414 [0,2,0,0,0,0|1,0,0]=3 1212 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F WXVL_AK00476SD0093 [0,2,0,0,0,0|1,0,0]=3 1213 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F WXVL_AK00476SD0093 [0,2,0,0,0,0|1,0,0]=3 1214 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I WXVL_AK00476SD0316 [0,2,0,0,0,0|1,0,0]=3 1215 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I WXVL_AK00476SD0316 [0,2,0,0,0,0|1,0,0]=3 1216 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O WXVL_AK00476SD0481 [0,2,0,0,0,0|1,0,0]=3 1217 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O WXVL_AK00476SD0481 [0,2,0,0,0,0|1,0,0]=3 1218 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C WXVL_AK00476SD0450 [0,2,0,0,0,0|1,0,0]=3 1219 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C WXVL_AK00476SD0450 [0,2,0,0,0,0|1,0,0]=3 1220 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl WXVL_AK00476SD0532 [0,2,0,0,0,0|1,0,0]=3 1221 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl WXVL_AK00476SD0532 [0,2,0,0,0,0|1,0,0]=3 1222 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F WXVL_AK00476SD0814 [0,2,0,0,0,0|1,0,0]=3 1223 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F WXVL_AK00476SD0814 [0,2,0,0,0,0|1,0,0]=3 1224 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O WXVL_AK00476SD2189 [0,2,0,0,0,0|1,0,0]=3 1225 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O WXVL_AK00476SD2189 [0,2,0,0,0,0|1,0,0]=3 1226 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br WXVL_AK00476SD0565 [0,2,0,0,0,0|1,0,0]=3 1227 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br WXVL_AK00476SD0565 [0,2,0,0,0,0|1,0,0]=3 1228 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C WXVL_AK00476SD0404 [0,2,0,0,0,0|1,0,0]=3 1229 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C WXVL_AK00476SD0404 [0,2,0,0,0,0|1,0,0]=3 1230 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl WXVL_AK00476SD0487 [0,2,0,0,0,0|1,0,0]=3 1231 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl WXVL_AK00476SD0487 [0,2,0,0,0,0|1,0,0]=3 1232 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F WXVL_AK00476SD0505 [0,2,0,0,0,0|1,0,0]=3 1233 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F WXVL_AK00476SD0505 [0,2,0,0,0,0|1,0,0]=3 1234 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I WXVL_AK00476SD0354 [0,2,0,0,0,0|1,0,0]=3 1235 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I WXVL_AK00476SD0354 [0,2,0,0,0,0|1,0,0]=3 1236 B13R1.466 CCNC(=O)c1ccc(c(c1)O)O WXVL_AK00476SD0979 [0,2,0,0,0,0|1,0,0]=3 1237 B13R1.466 CCNC(=O)c1ccc(c(c1)O)O WXVL_AK00476SD0979 [0,2,0,0,0,0|1,0,0]=3 1238 B13R1.466 CCNC(=O)c1ccc(c(n1)C)Br WXVL_AK00476SC1002 [0,2,0,0,0,0|2,0,0]=4 1239 B13R1.466 CCNC(=O)c1ccc(c(n1)C)Br WXVL_AK00476SC1002 [0,2,0,0,0,0|2,0,0]=4 1240 B13R1.466 CCNC(=O)c1ccc(c(n1)C)C WXVL_AK00476SC2108 [0,2,0,0,0,0|2,0,0]=4 1241 B13R1.466 CCNC(=O)c1ccc(c(n1)C)C WXVL_AK00476SC2108 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.466 CCNC(=O)c1ccc(c(n1)C)F WXVL_AK00476SC1215 [0,2,0,0,0,0|2,0,0]=4 1243 B13R1.466 CCNC(=O)c1ccc(c(n1)C)F WXVL_AK00476SC1215 [0,2,0,0,0,0|2,0,0]=4 1244 B13R1.466 CCNC(=O)c1ccc(c(n1)Cl)Br WXVL_AK00476SC0811 [0,2,0,0,0,0|2,0,0]=4 1245 B13R1.466 CCNC(=O)c1ccc(c(n1)Cl)Br WXVL_AK00476SC0811 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.466 CCNC(=O)c1ccc(c(n1)Cl)Cl WXVL_AK00476SC0806 [0,2,0,0,0,0|2,0,0]=4 1247 B13R1.466 CCNC(=O)c1ccc(c(n1)Cl)Cl WXVL_AK00476SC0806 [0,2,0,0,0,0|2,0,0]=4 1248 B13R1.466 CCNC(=O)c1cnc(c(c1)Br)Cl WXVL_AK00476SC0390 [0,2,0,0,0,0|2,0,0]=4 1249 B13R1.466 CCNC(=O)c1cnc(c(c1)Br)Cl WXVL_AK00476SC0390 [0,2,0,0,0,0|2,0,0]=4 1250 B13R1.466 CCNC(=O)c1cnc(c(c1)Br)O WXVL_AK00476SC0626 [0,2,0,0,0,0|2,0,0]=4 1251 B13R1.466 CCNC(=O)c1cnc(c(c1)Br)O WXVL_AK00476SC0626 [0,2,0,0,0,0|2,0,0]=4 1252 B13R1.466 CCNC(=O)c1cnc(c(c1)C)C WXVL_AK00476SC1055 [0,2,0,0,0,0|2,0,0]=4 1253 B13R1.466 CCNC(=O)c1cnc(c(c1)C)C WXVL_AK00476SC1055 [0,2,0,0,0,0|2,0,0]=4 1254 B13R1.466 CCNC(=O)c1cnc(c(c1)C)Cl WXVL_AK00476SC0962 [0,2,0,0,0,0|2,0,0]=4 1255 B13R1.466 CCNC(=O)c1cnc(c(c1)C)Cl WXVL_AK00476SC0962 [0,2,0,0,0,0|2,0,0]=4 1256 B13R1.466 CCNC(=O)c1cnc(c(c1)C)F WXVL_AK00476SC1078 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.466 CCNC(=O)c1cnc(c(c1)C)F WXVL_AK00476SC1078 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.466 CCNC(=O)c1cnc(c(c1)Cl)Cl WXVL_AK00476SC0389 [0,2,0,0,0,0|2,0,0]=4 1259 B13R1.466 CCNC(=O)c1cnc(c(c1)Cl)Cl WXVL_AK00476SC0389 [0,2,0,0,0,0|2,0,0]=4 1260 B13R1.466 CCNC(=O)c1cnc(c(c1)Cl)O WXVL_AK00476SC0424 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.466 CCNC(=O)c1cnc(c(c1)Cl)O WXVL_AK00476SC0424 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.466 CCNC(=O)c1cnc(c(c1)F)Cl WXVL_AK00476SC0952 [0,2,0,0,0,0|2,0,0]=4 1263 B13R1.466 CCNC(=O)c1cnc(c(c1)F)Cl WXVL_AK00476SC0952 [0,2,0,0,0,0|2,0,0]=4 1264 B13R1.466 CCNC(=O)c1cnc(c(c1)I)Cl WXVL_AK00476SC0650 [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.466 CCNC(=O)c1cnc(c(c1)I)Cl WXVL_AK00476SC0650 [0,2,0,0,0,0|2,0,0]=4 1266 B13R1.1511 CCNC(=O)c1ccc([nH]c1=O)C WXVL_AK00476SC2217 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.1511 CCNC(=O)c1ccc([nH]c1=O)C WXVL_AK00476SC2217 [0,2,0,0,0,0|2,0,0]=4 1268 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br WXVL_AK00476SD0488 [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br WXVL_AK00476SD0488 [0,2,0,0,0,0|1,0,0]=3 1270 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C WXVL_AK00476SD1112 [0,2,0,0,0,0|1,0,0]=3 1271 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C WXVL_AK00476SD1112 [0,2,0,0,0,0|1,0,0]=3 1272 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl WXVL_AK00476SD0436 [0,2,0,0,0,0|1,0,0]=3 1273 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl WXVL_AK00476SD0436 [0,2,0,0,0,0|1,0,0]=3 1274 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F WXVL_AK00476SD0119 [0,2,0,0,0,0|1,0,0]=3 1275 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F WXVL_AK00476SD0119 [0,2,0,0,0,0|1,0,0]=3 1276 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I WXVL_AK00476SD1097 [0,2,0,0,0,0|1,0,0]=3 1277 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I WXVL_AK00476SD1097 [0,2,0,0,0,0|1,0,0]=3 1278 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O WXVL_AK00476SD1328 [0,2,0,0,0,0|1,0,0]=3 1279 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O WXVL_AK00476SD1328 [0,2,0,0,0,0|1,0,0]=3 1280 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br WXVL_AK00476SD0441 [0,2,0,0,0,0|1,0,0]=3 1281 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br WXVL_AK00476SD0441 [0,2,0,0,0,0|1,0,0]=3 1282 B13R1.1511 CCNC(=O)c1ccc(cc1C)C WXVL_AK00476SD0038 [0,2,0,0,0,0|1,0,0]=3 1283 B13R1.1511 CCNC(=O)c1ccc(cc1C)C WXVL_AK00476SD0038 [0,2,0,0,0,0|1,0,0]=3 1284 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl WXVL_AK00476SD0114 [0,2,0,0,0,0|1,0,0]=3 1285 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl WXVL_AK00476SD0114 [0,2,0,0,0,0|1,0,0]=3 1286 B13R1.1511 CCNC(=O)c1ccc(cc1C)F WXVL_AK00476SD0338 [0,2,0,0,0,0|1,0,0]=3 1287 B13R1.1511 CCNC(=O)c1ccc(cc1C)F WXVL_AK00476SD0338 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.1511 CCNC(=O)c1ccc(cc1C)I WXVL_AK00476SD1541 [0,2,0,0,0,0|1,0,0]=3 1289 B13R1.1511 CCNC(=O)c1ccc(cc1C)I WXVL_AK00476SD1541 [0,2,0,0,0,0|1,0,0]=3 1290 B13R1.1511 CCNC(=O)c1ccc(cc1C)O WXVL_AK00476SD0475 [0,2,0,0,0,0|1,0,0]=3 1291 B13R1.1511 CCNC(=O)c1ccc(cc1C)O WXVL_AK00476SD0475 [0,2,0,0,0,0|1,0,0]=3 1292 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br WXVL_AK00476SD0104 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br WXVL_AK00476SD0104 [0,2,0,0,0,0|1,0,0]=3 1294 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C WXVL_AK00476SD0171 [0,2,0,0,0,0|1,0,0]=3 1295 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C WXVL_AK00476SD0171 [0,2,0,0,0,0|1,0,0]=3 1296 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl WXVL_AK00476SD0008 [0,2,0,0,0,0|1,0,0]=3 1297 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl WXVL_AK00476SD0008 [0,2,0,0,0,0|1,0,0]=3 1298 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F WXVL_AK00476SD0091 [0,2,0,0,0,0|1,0,0]=3 1299 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F WXVL_AK00476SD0091 [0,2,0,0,0,0|1,0,0]=3 1300 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I WXVL_AK00476SD0324 [0,2,0,0,0,0|1,0,0]=3 1301 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I WXVL_AK00476SD0324 [0,2,0,0,0,0|1,0,0]=3 1302 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O WXVL_AK00476SD0179 [0,2,0,0,0,0|1,0,0]=3 1303 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O WXVL_AK00476SD0179 [0,2,0,0,0,0|1,0,0]=3 1304 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br WXVL_AK00476SD0127 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br WXVL_AK00476SD0127 [0,2,0,0,0,0|1,0,0]=3 1306 B13R1.1511 CCNC(=O)c1ccc(cc1F)C WXVL_AK00476SD0394 [0,2,0,0,0,0|1,0,0]=3 1307 B13R1.1511 CCNC(=O)c1ccc(cc1F)C WXVL_AK00476SD0394 [0,2,0,0,0,0|1,0,0]=3 1308 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl WXVL_AK00476SD0106 [0,2,0,0,0,0|1,0,0]=3 1309 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl WXVL_AK00476SD0106 [0,2,0,0,0,0|1,0,0]=3 1310 B13R1.1511 CCNC(=O)c1ccc(cc1F)F WXVL_AK00476SD0092 [0,2,0,0,0,0|1,0,0]=3 1311 B13R1.1511 CCNC(=O)c1ccc(cc1F)F WXVL_AK00476SD0092 [0,2,0,0,0,0|1,0,0]=3 1312 B13R1.1511 CCNC(=O)c1ccc(cc1F)I WXVL_AK00476SD0313 [0,2,0,0,0,0|1,0,0]=3 1313 B13R1.1511 CCNC(=O)c1ccc(cc1F)I WXVL_AK00476SD0313 [0,2,0,0,0,0|1,0,0]=3 1314 B13R1.1511 CCNC(=O)c1ccc(cc1F)O WXVL_AK00476SD0499 [0,2,0,0,0,0|1,0,0]=3 1315 B13R1.1511 CCNC(=O)c1ccc(cc1F)O WXVL_AK00476SD0499 [0,2,0,0,0,0|1,0,0]=3 1316 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br WXVL_AK00476SD1410 [0,2,0,0,0,0|1,0,0]=3 1317 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br WXVL_AK00476SD1410 [0,2,0,0,0,0|1,0,0]=3 1318 B13R1.1511 CCNC(=O)c1ccc(cc1I)C WXVL_AK00476SD1846 [0,2,0,0,0,0|1,0,0]=3 1319 B13R1.1511 CCNC(=O)c1ccc(cc1I)C WXVL_AK00476SD1846 [0,2,0,0,0,0|1,0,0]=3 1320 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl WXVL_AK00476SD0323 [0,2,0,0,0,0|1,0,0]=3 1321 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl WXVL_AK00476SD0323 [0,2,0,0,0,0|1,0,0]=3 1322 B13R1.1511 CCNC(=O)c1ccc(cc1I)F WXVL_AK00476SD0315 [0,2,0,0,0,0|1,0,0]=3 1323 B13R1.1511 CCNC(=O)c1ccc(cc1I)F WXVL_AK00476SD0315 [0,2,0,0,0,0|1,0,0]=3 1324 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br WXVL_AK00476SD0411 [0,2,0,0,0,0|1,0,0]=3 1325 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br WXVL_AK00476SD0411 [0,2,0,0,0,0|1,0,0]=3 1326 B13R1.1511 CCNC(=O)c1ccc(cc1O)C WXVL_AK00476SD0148 [0,2,0,0,0,0|1,0,0]=3 1327 B13R1.1511 CCNC(=O)c1ccc(cc1O)C WXVL_AK00476SD0148 [0,2,0,0,0,0|1,0,0]=3 1328 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl WXVL_AK00476SD0550 [0,2,0,0,0,0|1,0,0]=3 1329 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl WXVL_AK00476SD0550 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.1511 CCNC(=O)c1ccc(cc1O)F WXVL_AK00476SD0561 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.1511 CCNC(=O)c1ccc(cc1O)F WXVL_AK00476SD0561 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.1511 CCNC(=O)c1ccc(cc1O)I WXVL_AK00476SD0717 [0,2,0,0,0,0|1,0,0]=3 1333 B13R1.1511 CCNC(=O)c1ccc(cc1O)I WXVL_AK00476SD0717 [0,2,0,0,0,0|1,0,0]=3 1334 B13R1.1511 CCNC(=O)c1ccc(cc1O)O WXVL_AK00476SD0149 [0,2,0,0,0,0|1,0,0]=3 1335 B13R1.1511 CCNC(=O)c1ccc(cc1O)O WXVL_AK00476SD0149 [0,2,0,0,0,0|1,0,0]=3 1336 B13R1.1511 CCNC(=O)c1ccc(nc1Br)Br WXVL_AK00476SC0673 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.1511 CCNC(=O)c1ccc(nc1Br)Br WXVL_AK00476SC0673 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.1511 CCNC(=O)c1ccc(nc1C)Br WXVL_AK00476SC0965 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.1511 CCNC(=O)c1ccc(nc1C)Br WXVL_AK00476SC0965 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.1511 CCNC(=O)c1ccc(nc1C)C WXVL_AK00476SC0897 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.1511 CCNC(=O)c1ccc(nc1C)C WXVL_AK00476SC0897 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.1511 CCNC(=O)c1ccc(nc1C)Cl WXVL_AK00476SC0240 [0,2,0,0,0,0|2,0,0]=4 1343 B13R1.1511 CCNC(=O)c1ccc(nc1C)Cl WXVL_AK00476SC0240 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.1511 CCNC(=O)c1ccc(nc1C)F WXVL_AK00476SC0792 [0,2,0,0,0,0|2,0,0]=4 1345 B13R1.1511 CCNC(=O)c1ccc(nc1C)F WXVL_AK00476SC0792 [0,2,0,0,0,0|2,0,0]=4 1346 B13R1.1511 CCNC(=O)c1ccc(nc1Cl)Cl WXVL_AK00476SC0357 [0,2,0,0,0,0|2,0,0]=4 1347 B13R1.1511 CCNC(=O)c1ccc(nc1Cl)Cl WXVL_AK00476SC0357 [0,2,0,0,0,0|2,0,0]=4 1348 B13R1.1511 CCNC(=O)c1ccc(nc1Cl)O WXVL_AK00476SC0689 [0,2,0,0,0,0|2,0,0]=4 1349 B13R1.1511 CCNC(=O)c1ccc(nc1Cl)O WXVL_AK00476SC0689 [0,2,0,0,0,0|2,0,0]=4 1350 B13R1.1511 CCNC(=O)c1ccc(nc1F)Br WXVL_AK00476SC1029 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.1511 CCNC(=O)c1ccc(nc1F)Br WXVL_AK00476SC1029 [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.1511 CCNC(=O)c1ccc(nc1F)Cl WXVL_AK00476SC1033 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.1511 CCNC(=O)c1ccc(nc1F)Cl WXVL_AK00476SC1033 [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.1511 CCNC(=O)c1ccc(nc1F)F WXVL_AK00476SC0149 [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.1511 CCNC(=O)c1ccc(nc1F)F WXVL_AK00476SC0149 [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.1511 CCNC(=O)c1cnc(cc1C)Cl WXVL_AK00476SC0997 [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.1511 CCNC(=O)c1cnc(cc1C)Cl WXVL_AK00476SC0997 [0,2,0,0,0,0|2,0,0]=4 1358 B13R1.1511 CCNC(=O)c1cnc(cc1C)F WXVL_AK00476SC1066 [0,2,0,0,0,0|2,0,0]=4 1359 B13R1.1511 CCNC(=O)c1cnc(cc1C)F WXVL_AK00476SC1066 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.1511 CCNC(=O)c1cnc(cc1Cl)Cl WXVL_AK00476SC0010 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.1511 CCNC(=O)c1cnc(cc1Cl)Cl WXVL_AK00476SC0010 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.1511 CCNC(=O)c1cnc(cc1I)Cl WXVL_AK00476SC2048 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.1511 CCNC(=O)c1cnc(cc1I)Cl WXVL_AK00476SC2048 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.1511 CCNC(=O)c1cnc(cc1O)O WXVL_AK00476SC0656 [0,2,0,0,0,0|2,0,0]=4 1365 B13R1.1511 CCNC(=O)c1cnc(cc1O)O WXVL_AK00476SC0656 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.1511 CCNC(=O)c1ncc(cc1Br)Cl WXVL_AK00476SC0384 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.1511 CCNC(=O)c1ncc(cc1Br)Cl WXVL_AK00476SC0384 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.1511 CCNC(=O)c1ncc(cc1C)Br WXVL_AK00476SC0123 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.1511 CCNC(=O)c1ncc(cc1C)Br WXVL_AK00476SC0123 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.1511 CCNC(=O)c1ncc(cc1C)Cl WXVL_AK00476SC0157 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.1511 CCNC(=O)c1ncc(cc1C)Cl WXVL_AK00476SC0157 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.1511 CCNC(=O)c1ncc(cc1Cl)Br WXVL_AK00476SC0603 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.1511 CCNC(=O)c1ncc(cc1Cl)Br WXVL_AK00476SC0603 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.1511 CCNC(=O)c1ncc(cc1Cl)Cl WXVL_AK00476SC0175 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.1511 CCNC(=O)c1ncc(cc1Cl)Cl WXVL_AK00476SC0175 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.1511 CCNC(=O)c1ncc(cc1F)Br WXVL_AK00476SC0593 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.1511 CCNC(=O)c1ncc(cc1F)Br WXVL_AK00476SC0593 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.1511 CCNC(=O)c1ncc(cc1F)F WXVL_AK00476SC0020 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.1511 CCNC(=O)c1ncc(cc1F)F WXVL_AK00476SC0020 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.12 CCNC(=O)c1cccc(=O)n1C WXVL_AK00476SC0041 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.12 CCNC(=O)c1cccc(=O)n1C WXVL_AK00476SC0041 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.12 CCNC(=O)c1cccc(=O)n1O WXVL_AK00476SC1224 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.12 CCNC(=O)c1cccc(=O)n1O WXVL_AK00476SC1224 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.12 CCNC(=O)c1cccc(c1Br)Br WXVL_AK00476SD1269 [0,2,0,0,0,0|1,0,0]=3 1385 B13R1.12 CCNC(=O)c1cccc(c1Br)Br WXVL_AK00476SD1269 [0,2,0,0,0,0|1,0,0]=3 1386 B13R1.12 CCNC(=O)c1cccc(c1Br)C WXVL_AK00476SD0617 [0,2,0,0,0,0|1,0,0]=3 1387 B13R1.12 CCNC(=O)c1cccc(c1Br)C WXVL_AK00476SD0617 [0,2,0,0,0,0|1,0,0]=3 1388 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl WXVL_AK00476SD0290 [0,2,0,0,0,0|1,0,0]=3 1389 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl WXVL_AK00476SD0290 [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.12 CCNC(=O)c1cccc(c1Br)F WXVL_AK00476SD1450 [0,2,0,0,0,0|1,0,0]=3 1391 B13R1.12 CCNC(=O)c1cccc(c1Br)F WXVL_AK00476SD1450 [0,2,0,0,0,0|1,0,0]=3 1392 B13R1.12 CCNC(=O)c1cccc(c1C)Br WXVL_AK00476SD0415 [0,2,0,0,0,0|1,0,0]=3 1393 B13R1.12 CCNC(=O)c1cccc(c1C)Br WXVL_AK00476SD0415 [0,2,0,0,0,0|1,0,0]=3 1394 B13R1.12 CCNC(=O)c1cccc(c1C)C WXVL_AK00476SD0552 [0,2,0,0,0,0|1,0,0]=3 1395 B13R1.12 CCNC(=O)c1cccc(c1C)C WXVL_AK00476SD0552 [0,2,0,0,0,0|1,0,0]=3 1396 B13R1.12 CCNC(=O)c1cccc(c1C)Cl WXVL_AK00476SD0117 [0,2,0,0,0,0|1,0,0]=3 1397 B13R1.12 CCNC(=O)c1cccc(c1C)Cl WXVL_AK00476SD0117 [0,2,0,0,0,0|1,0,0]=3 1398 B13R1.12 CCNC(=O)c1cccc(c1C)F WXVL_AK00476SD0123 [0,2,0,0,0,0|1,0,0]=3 1399 B13R1.12 CCNC(=O)c1cccc(c1C)F WXVL_AK00476SD0123 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.12 CCNC(=O)c1cccc(c1C)I WXVL_AK00476SD0312 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.12 CCNC(=O)c1cccc(c1C)I WXVL_AK00476SD0312 [0,2,0,0,0,0|1,0,0]=3 1402 B13R1.12 CCNC(=O)c1cccc(c1C)O WXVL_AK00476SD0711 [0,2,0,0,0,0|1,0,0]=3 1403 B13R1.12 CCNC(=O)c1cccc(c1C)O WXVL_AK00476SD0711 [0,2,0,0,0,0|1,0,0]=3 1404 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br WXVL_AK00476SD0291 [0,2,0,0,0,0|1,0,0]=3 1405 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br WXVL_AK00476SD0291 [0,2,0,0,0,0|1,0,0]=3 1406 B13R1.12 CCNC(=O)c1cccc(c1Cl)C WXVL_AK00476SD0170 [0,2,0,0,0,0|1,0,0]=3 1407 B13R1.12 CCNC(=O)c1cccc(c1Cl)C WXVL_AK00476SD0170 [0,2,0,0,0,0|1,0,0]=3 1408 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl WXVL_AK00476SD0007 [0,2,0,0,0,0|1,0,0]=3 1409 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl WXVL_AK00476SD0007 [0,2,0,0,0,0|1,0,0]=3 1410 B13R1.12 CCNC(=O)c1cccc(c1Cl)F WXVL_AK00476SD0533 [0,2,0,0,0,0|1,0,0]=3 1411 B13R1.12 CCNC(=O)c1cccc(c1Cl)F WXVL_AK00476SD0533 [0,2,0,0,0,0|1,0,0]=3 1412 B13R1.12 CCNC(=O)c1cccc(c1Cl)I WXVL_AK00476SD2528 [0,2,0,0,0,0|1,0,0]=3 1413 B13R1.12 CCNC(=O)c1cccc(c1Cl)I WXVL_AK00476SD2528 [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.12 CCNC(=O)c1cccc(c1Cl)O WXVL_AK00476SD1045 [0,2,0,0,0,0|1,0,0]=3 1415 B13R1.12 CCNC(=O)c1cccc(c1Cl)O WXVL_AK00476SD1045 [0,2,0,0,0,0|1,0,0]=3 1416 B13R1.12 CCNC(=O)c1cccc(c1F)Br WXVL_AK00476SD0434 [0,2,0,0,0,0|1,0,0]=3 1417 B13R1.12 CCNC(=O)c1cccc(c1F)Br WXVL_AK00476SD0434 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.12 CCNC(=O)c1cccc(c1F)C WXVL_AK00476SD0108 [0,2,0,0,0,0|1,0,0]=3 1419 B13R1.12 CCNC(=O)c1cccc(c1F)C WXVL_AK00476SD0108 [0,2,0,0,0,0|1,0,0]=3 1420 B13R1.12 CCNC(=O)c1cccc(c1F)Cl WXVL_AK00476SD0498 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.12 CCNC(=O)c1cccc(c1F)Cl WXVL_AK00476SD0498 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.12 CCNC(=O)c1cccc(c1F)F WXVL_AK00476SD0089 [0,2,0,0,0,0|1,0,0]=3 1423 B13R1.12 CCNC(=O)c1cccc(c1F)F WXVL_AK00476SD0089 [0,2,0,0,0,0|1,0,0]=3 1424 B13R1.12 CCNC(=O)c1cccc(c1F)I WXVL_AK00476SD0783 [0,2,0,0,0,0|1,0,0]=3 1425 B13R1.12 CCNC(=O)c1cccc(c1F)I WXVL_AK00476SD0783 [0,2,0,0,0,0|1,0,0]=3 1426 B13R1.12 CCNC(=O)c1cccc(c1F)O WXVL_AK00476SD0583 [0,2,0,0,0,0|1,0,0]=3 1427 B13R1.12 CCNC(=O)c1cccc(c1F)O WXVL_AK00476SD0583 [0,2,0,0,0,0|1,0,0]=3 1428 B13R1.12 CCNC(=O)c1cccc(c1I)C WXVL_AK00476SD0540 [0,2,0,0,0,0|1,0,0]=3 1429 B13R1.12 CCNC(=O)c1cccc(c1I)C WXVL_AK00476SD0540 [0,2,0,0,0,0|1,0,0]=3 1430 B13R1.12 CCNC(=O)c1cccc(c1I)Cl WXVL_AK00476SD1616 [0,2,0,0,0,0|1,0,0]=3 1431 B13R1.12 CCNC(=O)c1cccc(c1I)Cl WXVL_AK00476SD1616 [0,2,0,0,0,0|1,0,0]=3 1432 B13R1.12 CCNC(=O)c1cccc(c1I)F WXVL_AK00476SD0816 [0,2,0,0,0,0|1,0,0]=3 1433 B13R1.12 CCNC(=O)c1cccc(c1I)F WXVL_AK00476SD0816 [0,2,0,0,0,0|1,0,0]=3 1434 B13R1.12 CCNC(=O)c1cccc(c1O)Br WXVL_AK00476SD0745 [0,2,0,0,0,0|1,0,0]=3 1435 B13R1.12 CCNC(=O)c1cccc(c1O)Br WXVL_AK00476SD0745 [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.12 CCNC(=O)c1cccc(c1O)C WXVL_AK00476SD1710 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.12 CCNC(=O)c1cccc(c1O)C WXVL_AK00476SD1710 [0,2,0,0,0,0|1,0,0]=3 1438 B13R1.12 CCNC(=O)c1cccc(c1O)Cl WXVL_AK00476SD0178 [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.12 CCNC(=O)c1cccc(c1O)Cl WXVL_AK00476SD0178 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.12 CCNC(=O)c1cccc(c1O)F WXVL_AK00476SD0514 [0,2,0,0,0,0|1,0,0]=3 1441 B13R1.12 CCNC(=O)c1cccc(c1O)F WXVL_AK00476SD0514 [0,2,0,0,0,0|1,0,0]=3 1442 B13R1.12 CCNC(=O)c1cccc(c1O)O WXVL_AK00476SD0025 [0,2,0,0,0,0|1,0,0]=3 1443 B13R1.12 CCNC(=O)c1cccc(c1O)O WXVL_AK00476SD0025 [0,2,0,0,0,0|1,0,0]=3 1444 B13R1.12 CCNC(=O)c1cccn(c1=O)C WXVL_AK00476SC0012 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.12 CCNC(=O)c1cccn(c1=O)C WXVL_AK00476SC0012 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.12 CCNC(=O)c1ccnc(c1C)Cl WXVL_AK00476SC1331 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.12 CCNC(=O)c1ccnc(c1C)Cl WXVL_AK00476SC1331 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.12 CCNC(=O)c1ccnc(c1Cl)Br WXVL_AK00476SC0670 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.12 CCNC(=O)c1ccnc(c1Cl)Br WXVL_AK00476SC0670 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.12 CCNC(=O)c1ccnc(c1Cl)Cl WXVL_AK00476SC0174 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.12 CCNC(=O)c1ccnc(c1Cl)Cl WXVL_AK00476SC0174 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.12 CCNC(=O)c1ccnc(c1Cl)F WXVL_AK00476SC4099 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.12 CCNC(=O)c1ccnc(c1Cl)F WXVL_AK00476SC4099 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.12 CCNC(=O)c1ccnc(c1F)Br WXVL_AK00476SC0199 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.12 CCNC(=O)c1ccnc(c1F)Br WXVL_AK00476SC0199 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.12 CCNC(=O)c1ccnc(c1F)Cl WXVL_AK00476SC0324 [0,2,0,0,0,0|2,0,0]=4 1457 B13R1.12 CCNC(=O)c1ccnc(c1F)Cl WXVL_AK00476SC0324 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.12 CCNC(=O)c1ccnc(c1F)F WXVL_AK00476SC0410 [0,2,0,0,0,0|2,0,0]=4 1459 B13R1.12 CCNC(=O)c1ccnc(c1F)F WXVL_AK00476SC0410 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.12 CCNC(=O)c1cncc(c1C)Br WXVL_AK00476SC1094 [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.12 CCNC(=O)c1cncc(c1C)Br WXVL_AK00476SC1094 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.18 C=CCNC(=O)c1cccc(c1)Br WXVL_AK00561SD0041 [0,2,0,0,0,0|1,0,1]=4 1463 B13R1.18 C=CCNC(=O)c1cccc(c1)Br WXVL_AK00561SD0041 [0,2,0,0,0,0|1,0,1]=4 1464 B13R1.18 C=CCNC(=O)c1cccc(c1)C WXVL_AK00561SD0056 [0,2,0,0,0,0|1,0,1]=4 1465 B13R1.18 C=CCNC(=O)c1cccc(c1)C WXVL_AK00561SD0056 [0,2,0,0,0,0|1,0,1]=4 1466 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl WXVL_AK00561SD0045 [0,2,0,0,0,0|1,0,1]=4 1467 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl WXVL_AK00561SD0045 [0,2,0,0,0,0|1,0,1]=4 1468 B13R1.18 C=CCNC(=O)c1cccc(c1)F WXVL_AK00561SD0043 [0,2,0,0,0,0|1,0,1]=4 1469 B13R1.18 C=CCNC(=O)c1cccc(c1)F WXVL_AK00561SD0043 [0,2,0,0,0,0|1,0,1]=4 1470 B13R1.18 C=CCNC(=O)c1cccc(c1)I WXVL_AK00561SD0405 [0,2,0,0,0,0|1,0,1]=4 1471 B13R1.18 C=CCNC(=O)c1cccc(c1)I WXVL_AK00561SD0405 [0,2,0,0,0,0|1,0,1]=4 1472 B13R1.18 C=CCNC(=O)c1cccc(c1)O WXVL_AK00561SD1724 [0,2,0,0,0,0|1,0,1]=4 1473 B13R1.18 C=CCNC(=O)c1cccc(c1)O WXVL_AK00561SD1724 [0,2,0,0,0,0|1,0,1]=4 1474 B13R1.18 CCCNC(=O)c1cc(=O)cco1 WXVL_AK00504SC0133 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.18 CCCNC(=O)c1cc(=O)cco1 WXVL_AK00504SC0133 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.18 CCCNC(=O)c1cc(ccn1)Br WXVL_AK00504SC0243 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.18 CCCNC(=O)c1cc(ccn1)Br WXVL_AK00504SC0243 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.18 CCCNC(=O)c1cc(ccn1)C WXVL_AK00504SC0235 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.18 CCCNC(=O)c1cc(ccn1)C WXVL_AK00504SC0235 [0,2,0,0,0,0|2,0,0]=4 1480 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl WXVL_AK00504SC0373 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl WXVL_AK00504SC0373 [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.18 CCCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00504SC1039 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.18 CCCNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00504SC1039 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.18 CCCNC(=O)c1cccc(c1)Br WXVL_AK00504SD0041 [0,2,0,0,0,0|1,0,0]=3 1485 B13R1.18 CCCNC(=O)c1cccc(c1)Br WXVL_AK00504SD0041 [0,2,0,0,0,0|1,0,0]=3 1486 B13R1.18 CCCNC(=O)c1cccc(c1)C WXVL_AK00504SD0056 [0,2,0,0,0,0|1,0,0]=3 1487 B13R1.18 CCCNC(=O)c1cccc(c1)C WXVL_AK00504SD0056 [0,2,0,0,0,0|1,0,0]=3 1488 B13R1.18 CCCNC(=O)c1cccc(c1)Cl WXVL_AK00504SD0045 [0,2,0,0,0,0|1,0,0]=3 1489 B13R1.18 CCCNC(=O)c1cccc(c1)Cl WXVL_AK00504SD0045 [0,2,0,0,0,0|1,0,0]=3 1490 B13R1.18 CCCNC(=O)c1cccc(c1)F WXVL_AK00504SD0043 [0,2,0,0,0,0|1,0,0]=3 1491 B13R1.18 CCCNC(=O)c1cccc(c1)F WXVL_AK00504SD0043 [0,2,0,0,0,0|1,0,0]=3 1492 B13R1.18 CCCNC(=O)c1cccc(c1)I WXVL_AK00504SD0405 [0,2,0,0,0,0|1,0,0]=3 1493 B13R1.18 CCCNC(=O)c1cccc(c1)I WXVL_AK00504SD0405 [0,2,0,0,0,0|1,0,0]=3 1494 B13R1.18 CCCNC(=O)c1cccc(c1)O WXVL_AK00504SD1724 [0,2,0,0,0,0|1,0,0]=3 1495 B13R1.18 CCCNC(=O)c1cccc(c1)O WXVL_AK00504SD1724 [0,2,0,0,0,0|1,0,0]=3 1496 B13R1.18 CCCNC(=O)c1cccc(n1)Br WXVL_AK00504SC0366 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.18 CCCNC(=O)c1cccc(n1)Br WXVL_AK00504SC0366 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.18 CCCNC(=O)c1cccc(n1)F WXVL_AK00504SC0386 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.18 CCCNC(=O)c1cccc(n1)F WXVL_AK00504SC0386 [0,2,0,0,0,0|2,0,0]=4 1500 B13R1.18 CCCNC(=O)c1cccc(n1)O WXVL_AK00504SC0084 [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.18 CCCNC(=O)c1cccc(n1)O WXVL_AK00504SC0084 [0,2,0,0,0,0|2,0,0]=4 1502 B13R1.18 CCCNC(=O)c1ccnc(c1)Br WXVL_AK00504SC0349 [0,2,0,0,0,0|2,0,0]=4 1503 B13R1.18 CCCNC(=O)c1ccnc(c1)Br WXVL_AK00504SC0349 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.18 CCCNC(=O)c1ccnc(c1)C WXVL_AK00504SC0400 [0,2,0,0,0,0|2,0,0]=4 1505 B13R1.18 CCCNC(=O)c1ccnc(c1)C WXVL_AK00504SC0400 [0,2,0,0,0,0|2,0,0]=4 1506 B13R1.18 CCCNC(=O)c1ccnc(c1)Cl WXVL_AK00504SC0083 [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.18 CCCNC(=O)c1ccnc(c1)Cl WXVL_AK00504SC0083 [0,2,0,0,0,0|2,0,0]=4 1508 B13R1.18 CCCNC(=O)c1ccnc(c1)F WXVL_AK00504SC0015 [0,2,0,0,0,0|2,0,0]=4 1509 B13R1.18 CCCNC(=O)c1ccnc(c1)F WXVL_AK00504SC0015 [0,2,0,0,0,0|2,0,0]=4 1510 B13R1.18 CCCNC(=O)c1ccnc(c1)O WXVL_AK00504SC0131 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.18 CCCNC(=O)c1ccnc(c1)O WXVL_AK00504SC0131 [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.18 CCCNC(=O)c1cncc(c1)Br WXVL_AK00504SC0369 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.18 CCCNC(=O)c1cncc(c1)Br WXVL_AK00504SC0369 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.18 CCCNC(=O)c1cncc(c1)C WXVL_AK00504SC0095 [0,2,0,0,0,0|2,0,0]=4 1515 B13R1.18 CCCNC(=O)c1cncc(c1)C WXVL_AK00504SC0095 [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.18 CCCNC(=O)c1cncc(c1)Cl WXVL_AK00504SC0291 [0,2,0,0,0,0|2,0,0]=4 1517 B13R1.18 CCCNC(=O)c1cncc(c1)Cl WXVL_AK00504SC0291 [0,2,0,0,0,0|2,0,0]=4 1518 B13R1.18 CCCNC(=O)c1cncc(c1)F WXVL_AK00504SC0102 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.18 CCCNC(=O)c1cncc(c1)F WXVL_AK00504SC0102 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.18 CCCNC(=O)c1cncc(c1)O WXVL_AK00504SC0333 [0,2,0,0,0,0|2,0,0]=4 1521 B13R1.18 CCCNC(=O)c1cncc(c1)O WXVL_AK00504SC0333 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.18 Cc1cc(ccn1)C(=O)NCCF WXVL_AK00466SC0400 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.18 Cc1cc(ccn1)C(=O)NCCF WXVL_AK00466SC0400 [0,2,0,0,0,0|2,0,0]=4 1524 B13R1.18 Cc1cccc(c1)C(=O)NCC#N WXVL_AK0683SD0056 [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.18 Cc1cccc(c1)C(=O)NCC#N WXVL_AK0683SD0056 [0,2,0,0,0,0|1,0,1]=4 1526 B13R1.18 Cc1cccc(c1)C(=O)NCCF WXVL_AK00466SD0056 [0,2,0,0,0,0|1,0,0]=3 1527 B13R1.18 Cc1cccc(c1)C(=O)NCCF WXVL_AK00466SD0056 [0,2,0,0,0,0|1,0,0]=3 1528 B13R1.18 Cc1ccnc(c1)C(=O)NCCF WXVL_AK00466SC0235 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.18 Cc1ccnc(c1)C(=O)NCCF WXVL_AK00466SC0235 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.18 Cc1cncc(c1)C(=O)NCCF WXVL_AK00466SC0095 [0,2,0,0,0,0|2,0,0]=4 1531 B13R1.18 Cc1cncc(c1)C(=O)NCCF WXVL_AK00466SC0095 [0,2,0,0,0,0|2,0,0]=4 1532 B13R1.18 N#CCNC(=O)c1cccc(c1)Br WXVL_AK0683SD0041 [0,2,0,0,0,0|1,0,1]=4 1533 B13R1.18 N#CCNC(=O)c1cccc(c1)Br WXVL_AK0683SD0041 [0,2,0,0,0,0|1,0,1]=4 1534 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl WXVL_AK0683SD0045 [0,2,0,0,0,0|1,0,1]=4 1535 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl WXVL_AK0683SD0045 [0,2,0,0,0,0|1,0,1]=4 1536 B13R1.18 N#CCNC(=O)c1cccc(c1)F WXVL_AK0683SD0043 [0,2,0,0,0,0|1,0,1]=4 1537 B13R1.18 N#CCNC(=O)c1cccc(c1)F WXVL_AK0683SD0043 [0,2,0,0,0,0|1,0,1]=4 1538 B13R1.18 N#CCNC(=O)c1cccc(c1)I WXVL_AK0683SD0405 [0,2,0,0,0,0|1,0,1]=4 1539 B13R1.18 N#CCNC(=O)c1cccc(c1)I WXVL_AK0683SD0405 [0,2,0,0,0,0|1,0,1]=4 1540 B13R1.18 N#CCNC(=O)c1cccc(c1)O WXVL_AK0683SD1724 [0,2,0,0,0,0|1,0,1]=4 1541 B13R1.18 N#CCNC(=O)c1cccc(c1)O WXVL_AK0683SD1724 [0,2,0,0,0,0|1,0,1]=4 1542 B13R1.18 O=C(NCCF)c1cc(=O)cco1 WXVL_AK00466SC0133 [0,2,0,0,0,0|2,0,0]=4 1543 B13R1.18 O=C(NCCF)c1cc(=O)cco1 WXVL_AK00466SC0133 [0,2,0,0,0,0|2,0,0]=4 1544 B13R1.18 O=C(NCCF)c1cc(ccn1)Br WXVL_AK00466SC0243 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.18 O=C(NCCF)c1cc(ccn1)Br WXVL_AK00466SC0243 [0,2,0,0,0,0|2,0,0]=4 1546 B13R1.18 O=C(NCCF)c1cc(ccn1)Cl WXVL_AK00466SC0373 [0,2,0,0,0,0|2,0,0]=4 1547 B13R1.18 O=C(NCCF)c1cc(ccn1)Cl WXVL_AK00466SC0373 [0,2,0,0,0,0|2,0,0]=4 1548 B13R1.18 O=C(NCCF)c1ccc[n+](c1)[O-] WXVL_AK00466SC1039 [0,2,0,0,0,0|2,0,0]=4 1549 B13R1.18 O=C(NCCF)c1ccc[n+](c1)[O-] WXVL_AK00466SC1039 [0,2,0,0,0,0|2,0,0]=4 1550 B13R1.18 O=C(NCCF)c1cccc(c1)Br WXVL_AK00466SD0041 [0,2,0,0,0,0|1,0,0]=3 1551 B13R1.18 O=C(NCCF)c1cccc(c1)Br WXVL_AK00466SD0041 [0,2,0,0,0,0|1,0,0]=3 1552 B13R1.18 O=C(NCCF)c1cccc(c1)Cl WXVL_AK00466SD0045 [0,2,0,0,0,0|1,0,0]=3 1553 B13R1.18 O=C(NCCF)c1cccc(c1)Cl WXVL_AK00466SD0045 [0,2,0,0,0,0|1,0,0]=3 1554 B13R1.18 O=C(NCCF)c1cccc(c1)F WXVL_AK00466SD0043 [0,2,0,0,0,0|1,0,0]=3 1555 B13R1.18 O=C(NCCF)c1cccc(c1)F WXVL_AK00466SD0043 [0,2,0,0,0,0|1,0,0]=3 1556 B13R1.18 O=C(NCCF)c1cccc(c1)I WXVL_AK00466SD0405 [0,2,0,0,0,0|1,0,0]=3 1557 B13R1.18 O=C(NCCF)c1cccc(c1)I WXVL_AK00466SD0405 [0,2,0,0,0,0|1,0,0]=3 1558 B13R1.18 O=C(NCCF)c1cccc(c1)O WXVL_AK00466SD1724 [0,2,0,0,0,0|1,0,0]=3 1559 B13R1.18 O=C(NCCF)c1cccc(c1)O WXVL_AK00466SD1724 [0,2,0,0,0,0|1,0,0]=3 1560 B13R1.18 O=C(NCCF)c1cccc(n1)Br WXVL_AK00466SC0366 [0,2,0,0,0,0|2,0,0]=4 1561 B13R1.18 O=C(NCCF)c1cccc(n1)Br WXVL_AK00466SC0366 [0,2,0,0,0,0|2,0,0]=4 1562 B13R1.18 O=C(NCCF)c1cccc(n1)F WXVL_AK00466SC0386 [0,2,0,0,0,0|2,0,0]=4 1563 B13R1.18 O=C(NCCF)c1cccc(n1)F WXVL_AK00466SC0386 [0,2,0,0,0,0|2,0,0]=4 1564 B13R1.18 O=C(NCCF)c1cccc(n1)O WXVL_AK00466SC0084 [0,2,0,0,0,0|2,0,0]=4 1565 B13R1.18 O=C(NCCF)c1cccc(n1)O WXVL_AK00466SC0084 [0,2,0,0,0,0|2,0,0]=4 1566 B13R1.18 O=C(NCCF)c1ccnc(c1)Br WXVL_AK00466SC0349 [0,2,0,0,0,0|2,0,0]=4 1567 B13R1.18 O=C(NCCF)c1ccnc(c1)Br WXVL_AK00466SC0349 [0,2,0,0,0,0|2,0,0]=4 1568 B13R1.18 O=C(NCCF)c1ccnc(c1)Cl WXVL_AK00466SC0083 [0,2,0,0,0,0|2,0,0]=4 1569 B13R1.18 O=C(NCCF)c1ccnc(c1)Cl WXVL_AK00466SC0083 [0,2,0,0,0,0|2,0,0]=4 1570 B13R1.18 O=C(NCCF)c1ccnc(c1)F WXVL_AK00466SC0015 [0,2,0,0,0,0|2,0,0]=4 1571 B13R1.18 O=C(NCCF)c1ccnc(c1)F WXVL_AK00466SC0015 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.18 O=C(NCCF)c1ccnc(c1)O WXVL_AK00466SC0131 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.18 O=C(NCCF)c1ccnc(c1)O WXVL_AK00466SC0131 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.18 O=C(NCCF)c1cncc(c1)Br WXVL_AK00466SC0369 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.18 O=C(NCCF)c1cncc(c1)Br WXVL_AK00466SC0369 [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.18 O=C(NCCF)c1cncc(c1)Cl WXVL_AK00466SC0291 [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.18 O=C(NCCF)c1cncc(c1)Cl WXVL_AK00466SC0291 [0,2,0,0,0,0|2,0,0]=4 1578 B13R1.18 O=C(NCCF)c1cncc(c1)F WXVL_AK00466SC0102 [0,2,0,0,0,0|2,0,0]=4 1579 B13R1.18 O=C(NCCF)c1cncc(c1)F WXVL_AK00466SC0102 [0,2,0,0,0,0|2,0,0]=4 1580 B13R1.18 O=C(NCCF)c1cncc(c1)O WXVL_AK00466SC0333 [0,2,0,0,0,0|2,0,0]=4 1581 B13R1.18 O=C(NCCF)c1cncc(c1)O WXVL_AK00466SC0333 [0,2,0,0,0,0|2,0,0]=4 1582 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br WXVL_AK00476HU0059 [0,2,0,0,0,0|2,0,0]=4 1583 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br WXVL_AK00476HU0059 [0,2,0,0,0,0|2,0,0]=4 1584 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C WXVL_AK00476HU0052 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C WXVL_AK00476HU0052 [0,2,0,0,0,0|2,0,0]=4 1586 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl WXVL_AK00476HU0051 [0,2,0,0,0,0|2,0,0]=4 1587 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl WXVL_AK00476HU0051 [0,2,0,0,0,0|2,0,0]=4 1588 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F WXVL_AK00476HU0043 [0,2,0,0,0,0|2,0,0]=4 1589 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F WXVL_AK00476HU0043 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.147 CC(C)NC(=O)c1cc(=O)cco1 WXVL_AK0030SC0133 [0,2,0,0,0,0|2,0,0]=4 1591 B13R1.147 CC(C)NC(=O)c1cc(=O)cco1 WXVL_AK0030SC0133 [0,2,0,0,0,0|2,0,0]=4 1592 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Br WXVL_AK0030SC0243 [0,2,0,0,0,0|2,0,0]=4 1593 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Br WXVL_AK0030SC0243 [0,2,0,0,0,0|2,0,0]=4 1594 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Cl WXVL_AK0030SC0373 [0,2,0,0,0,0|2,0,0]=4 1595 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Cl WXVL_AK0030SC0373 [0,2,0,0,0,0|2,0,0]=4 1596 B13R1.147 CC(C)NC(=O)c1ccc[n+](c1)[O-] WXVL_AK0030SC1039 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.147 CC(C)NC(=O)c1ccc[n+](c1)[O-] WXVL_AK0030SC1039 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br WXVL_AK0030SD0041 [0,2,0,0,0,0|1,0,0]=3 1599 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br WXVL_AK0030SD0041 [0,2,0,0,0,0|1,0,0]=3 1600 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl WXVL_AK0030SD0045 [0,2,0,0,0,0|1,0,0]=3 1601 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl WXVL_AK0030SD0045 [0,2,0,0,0,0|1,0,0]=3 1602 B13R1.147 CC(C)NC(=O)c1cccc(c1)F WXVL_AK0030SD0043 [0,2,0,0,0,0|1,0,0]=3 1603 B13R1.147 CC(C)NC(=O)c1cccc(c1)F WXVL_AK0030SD0043 [0,2,0,0,0,0|1,0,0]=3 1604 B13R1.147 CC(C)NC(=O)c1cccc(c1)I WXVL_AK0030SD0405 [0,2,0,0,0,0|1,0,0]=3 1605 B13R1.147 CC(C)NC(=O)c1cccc(c1)I WXVL_AK0030SD0405 [0,2,0,0,0,0|1,0,0]=3 1606 B13R1.147 CC(C)NC(=O)c1cccc(c1)O WXVL_AK0030SD1724 [0,2,0,0,0,0|1,0,0]=3 1607 B13R1.147 CC(C)NC(=O)c1cccc(c1)O WXVL_AK0030SD1724 [0,2,0,0,0,0|1,0,0]=3 1608 B13R1.147 CC(C)NC(=O)c1cccc(n1)Br WXVL_AK0030SC0366 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.147 CC(C)NC(=O)c1cccc(n1)Br WXVL_AK0030SC0366 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.147 CC(C)NC(=O)c1cccc(n1)F WXVL_AK0030SC0386 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.147 CC(C)NC(=O)c1cccc(n1)F WXVL_AK0030SC0386 [0,2,0,0,0,0|2,0,0]=4 1612 B13R1.147 CC(C)NC(=O)c1cccc(n1)O WXVL_AK0030SC0084 [0,2,0,0,0,0|2,0,0]=4 1613 B13R1.147 CC(C)NC(=O)c1cccc(n1)O WXVL_AK0030SC0084 [0,2,0,0,0,0|2,0,0]=4 1614 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Br WXVL_AK0030SC0349 [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Br WXVL_AK0030SC0349 [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Cl WXVL_AK0030SC0083 [0,2,0,0,0,0|2,0,0]=4 1617 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Cl WXVL_AK0030SC0083 [0,2,0,0,0,0|2,0,0]=4 1618 B13R1.147 CC(C)NC(=O)c1ccnc(c1)F WXVL_AK0030SC0015 [0,2,0,0,0,0|2,0,0]=4 1619 B13R1.147 CC(C)NC(=O)c1ccnc(c1)F WXVL_AK0030SC0015 [0,2,0,0,0,0|2,0,0]=4 1620 B13R1.147 CC(C)NC(=O)c1ccnc(c1)O WXVL_AK0030SC0131 [0,2,0,0,0,0|2,0,0]=4 1621 B13R1.147 CC(C)NC(=O)c1ccnc(c1)O WXVL_AK0030SC0131 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.147 CC(C)NC(=O)c1cncc(c1)Br WXVL_AK0030SC0369 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.147 CC(C)NC(=O)c1cncc(c1)Br WXVL_AK0030SC0369 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.147 CC(C)NC(=O)c1cncc(c1)Cl WXVL_AK0030SC0291 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.147 CC(C)NC(=O)c1cncc(c1)Cl WXVL_AK0030SC0291 [0,2,0,0,0,0|2,0,0]=4 1626 B13R1.147 CC(C)NC(=O)c1cncc(c1)F WXVL_AK0030SC0102 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.147 CC(C)NC(=O)c1cncc(c1)F WXVL_AK0030SC0102 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.147 CC(C)NC(=O)c1cncc(c1)O WXVL_AK0030SC0333 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.147 CC(C)NC(=O)c1cncc(c1)O WXVL_AK0030SC0333 [0,2,0,0,0,0|2,0,0]=4 1630 B13R1.147 Cc1cc(ccn1)C(=O)NC(C)C WXVL_AK0030SC0400 [0,2,0,0,0,0|2,0,0]=4 1631 B13R1.147 Cc1cc(ccn1)C(=O)NC(C)C WXVL_AK0030SC0400 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C WXVL_AK0030SD0056 [0,2,0,0,0,0|1,0,0]=3 1633 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C WXVL_AK0030SD0056 [0,2,0,0,0,0|1,0,0]=3 1634 B13R1.147 Cc1ccnc(c1)C(=O)NC(C)C WXVL_AK0030SC0235 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.147 Cc1ccnc(c1)C(=O)NC(C)C WXVL_AK0030SC0235 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.147 Cc1cncc(c1)C(=O)NC(C)C WXVL_AK0030SC0095 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.147 Cc1cncc(c1)C(=O)NC(C)C WXVL_AK0030SC0095 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.446 CCNC(=O)c1cc(=O)ccn1C WXVL_AK00476SD00008 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.446 CCNC(=O)c1cc(=O)ccn1C WXVL_AK00476SD00008 [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br WXVL_AK00476SD0449 [0,2,0,0,0,0|1,0,0]=3 1641 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br WXVL_AK00476SD0449 [0,2,0,0,0,0|1,0,0]=3 1642 B13R1.446 CCNC(=O)c1cc(ccc1Br)C WXVL_AK00476SD0598 [0,2,0,0,0,0|1,0,0]=3 1643 B13R1.446 CCNC(=O)c1cc(ccc1Br)C WXVL_AK00476SD0598 [0,2,0,0,0,0|1,0,0]=3 1644 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl WXVL_AK00476SD0426 [0,2,0,0,0,0|1,0,0]=3 1645 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl WXVL_AK00476SD0426 [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.446 CCNC(=O)c1cc(ccc1Br)F WXVL_AK00476SD0126 [0,2,0,0,0,0|1,0,0]=3 1647 B13R1.446 CCNC(=O)c1cc(ccc1Br)F WXVL_AK00476SD0126 [0,2,0,0,0,0|1,0,0]=3 1648 B13R1.446 CCNC(=O)c1cc(ccc1Br)I WXVL_AK00476SD0332 [0,2,0,0,0,0|1,0,0]=3 1649 B13R1.446 CCNC(=O)c1cc(ccc1Br)I WXVL_AK00476SD0332 [0,2,0,0,0,0|1,0,0]=3 1650 B13R1.446 CCNC(=O)c1cc(ccc1Br)O WXVL_AK00476SD1131 [0,2,0,0,0,0|1,0,0]=3 1651 B13R1.446 CCNC(=O)c1cc(ccc1Br)O WXVL_AK00476SD1131 [0,2,0,0,0,0|1,0,0]=3 1652 B13R1.446 CCNC(=O)c1cc(ccc1C)Br WXVL_AK00476SD0407 [0,2,0,0,0,0|1,0,0]=3 1653 B13R1.446 CCNC(=O)c1cc(ccc1C)Br WXVL_AK00476SD0407 [0,2,0,0,0,0|1,0,0]=3 1654 B13R1.446 CCNC(=O)c1cc(ccc1C)C WXVL_AK00476SD0146 [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.446 CCNC(=O)c1cc(ccc1C)C WXVL_AK00476SD0146 [0,2,0,0,0,0|1,0,0]=3 1656 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl WXVL_AK00476SD0169 [0,2,0,0,0,0|1,0,0]=3 1657 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl WXVL_AK00476SD0169 [0,2,0,0,0,0|1,0,0]=3 1658 B13R1.446 CCNC(=O)c1cc(ccc1C)F WXVL_AK00476SD0105 [0,2,0,0,0,0|1,0,0]=3 1659 B13R1.446 CCNC(=O)c1cc(ccc1C)F WXVL_AK00476SD0105 [0,2,0,0,0,0|1,0,0]=3 1660 B13R1.446 CCNC(=O)c1cc(ccc1C)I WXVL_AK00476SD0430 [0,2,0,0,0,0|1,0,0]=3 1661 B13R1.446 CCNC(=O)c1cc(ccc1C)I WXVL_AK00476SD0430 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.446 CCNC(=O)c1cc(ccc1C)O WXVL_AK00476SD0424 [0,2,0,0,0,0|1,0,0]=3 1663 B13R1.446 CCNC(=O)c1cc(ccc1C)O WXVL_AK00476SD0424 [0,2,0,0,0,0|1,0,0]=3 1664 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br WXVL_AK00476SD0009 [0,2,0,0,0,0|1,0,0]=3 1665 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br WXVL_AK00476SD0009 [0,2,0,0,0,0|1,0,0]=3 1666 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C WXVL_AK00476SD0473 [0,2,0,0,0,0|1,0,0]=3 1667 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C WXVL_AK00476SD0473 [0,2,0,0,0,0|1,0,0]=3 1668 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl WXVL_AK00476SD0010 [0,2,0,0,0,0|1,0,0]=3 1669 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl WXVL_AK00476SD0010 [0,2,0,0,0,0|1,0,0]=3 1670 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F WXVL_AK00476SD0537 [0,2,0,0,0,0|1,0,0]=3 1671 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F WXVL_AK00476SD0537 [0,2,0,0,0,0|1,0,0]=3 1672 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I WXVL_AK00476SD0410 [0,2,0,0,0,0|1,0,0]=3 1673 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I WXVL_AK00476SD0410 [0,2,0,0,0,0|1,0,0]=3 1674 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O WXVL_AK00476SD0180 [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O WXVL_AK00476SD0180 [0,2,0,0,0,0|1,0,0]=3 1676 B13R1.446 CCNC(=O)c1cc(ccc1F)Br WXVL_AK00476SD0128 [0,2,0,0,0,0|1,0,0]=3 1677 B13R1.446 CCNC(=O)c1cc(ccc1F)Br WXVL_AK00476SD0128 [0,2,0,0,0,0|1,0,0]=3 1678 B13R1.446 CCNC(=O)c1cc(ccc1F)C WXVL_AK00476SD0492 [0,2,0,0,0,0|1,0,0]=3 1679 B13R1.446 CCNC(=O)c1cc(ccc1F)C WXVL_AK00476SD0492 [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl WXVL_AK00476SD0130 [0,2,0,0,0,0|1,0,0]=3 1681 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl WXVL_AK00476SD0130 [0,2,0,0,0,0|1,0,0]=3 1682 B13R1.446 CCNC(=O)c1cc(ccc1F)F WXVL_AK00476SD0004 [0,2,0,0,0,0|1,0,0]=3 1683 B13R1.446 CCNC(=O)c1cc(ccc1F)F WXVL_AK00476SD0004 [0,2,0,0,0,0|1,0,0]=3 1684 B13R1.446 CCNC(=O)c1cc(ccc1F)I WXVL_AK00476SD0314 [0,2,0,0,0,0|1,0,0]=3 1685 B13R1.446 CCNC(=O)c1cc(ccc1F)I WXVL_AK00476SD0314 [0,2,0,0,0,0|1,0,0]=3 1686 B13R1.446 CCNC(=O)c1cc(ccc1F)O WXVL_AK00476SD0462 [0,2,0,0,0,0|1,0,0]=3 1687 B13R1.446 CCNC(=O)c1cc(ccc1F)O WXVL_AK00476SD0462 [0,2,0,0,0,0|1,0,0]=3 1688 B13R1.446 CCNC(=O)c1cc(ccc1I)Br WXVL_AK00476SD0546 [0,2,0,0,0,0|1,0,0]=3 1689 B13R1.446 CCNC(=O)c1cc(ccc1I)Br WXVL_AK00476SD0546 [0,2,0,0,0,0|1,0,0]=3 1690 B13R1.446 CCNC(=O)c1cc(ccc1I)C WXVL_AK00476SD0554 [0,2,0,0,0,0|1,0,0]=3 1691 B13R1.446 CCNC(=O)c1cc(ccc1I)C WXVL_AK00476SD0554 [0,2,0,0,0,0|1,0,0]=3 1692 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl WXVL_AK00476SD0461 [0,2,0,0,0,0|1,0,0]=3 1693 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl WXVL_AK00476SD0461 [0,2,0,0,0,0|1,0,0]=3 1694 B13R1.446 CCNC(=O)c1cc(ccc1I)F WXVL_AK00476SD0454 [0,2,0,0,0,0|1,0,0]=3 1695 B13R1.446 CCNC(=O)c1cc(ccc1I)F WXVL_AK00476SD0454 [0,2,0,0,0,0|1,0,0]=3 1696 B13R1.446 CCNC(=O)c1cc(ccc1I)O WXVL_AK00476SD1452 [0,2,0,0,0,0|1,0,0]=3 1697 B13R1.446 CCNC(=O)c1cc(ccc1I)O WXVL_AK00476SD1452 [0,2,0,0,0,0|1,0,0]=3 1698 B13R1.446 CCNC(=O)c1cc(ccc1O)Br WXVL_AK00476SD0028 [0,2,0,0,0,0|1,0,0]=3 1699 B13R1.446 CCNC(=O)c1cc(ccc1O)Br WXVL_AK00476SD0028 [0,2,0,0,0,0|1,0,0]=3 1700 B13R1.446 CCNC(=O)c1cc(ccc1O)C WXVL_AK00476SD0032 [0,2,0,0,0,0|1,0,0]=3 1701 B13R1.446 CCNC(=O)c1cc(ccc1O)C WXVL_AK00476SD0032 [0,2,0,0,0,0|1,0,0]=3 1702 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl WXVL_AK00476SD0029 [0,2,0,0,0,0|1,0,0]=3 1703 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl WXVL_AK00476SD0029 [0,2,0,0,0,0|1,0,0]=3 1704 B13R1.446 CCNC(=O)c1cc(ccc1O)F WXVL_AK00476SD0469 [0,2,0,0,0,0|1,0,0]=3 1705 B13R1.446 CCNC(=O)c1cc(ccc1O)F WXVL_AK00476SD0469 [0,2,0,0,0,0|1,0,0]=3 1706 B13R1.446 CCNC(=O)c1cc(ccc1O)I WXVL_AK00476SD0030 [0,2,0,0,0,0|1,0,0]=3 1707 B13R1.446 CCNC(=O)c1cc(ccc1O)I WXVL_AK00476SD0030 [0,2,0,0,0,0|1,0,0]=3 1708 B13R1.446 CCNC(=O)c1cc(ccc1O)O WXVL_AK00476SD1721 [0,2,0,0,0,0|1,0,0]=3 1709 B13R1.446 CCNC(=O)c1cc(ccc1O)O WXVL_AK00476SD1721 [0,2,0,0,0,0|1,0,0]=3 1710 B13R1.446 CCNC(=O)c1cc(cnc1Br)Br WXVL_AK00476SC0221 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.446 CCNC(=O)c1cc(cnc1Br)Br WXVL_AK00476SC0221 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.446 CCNC(=O)c1cc(cnc1Br)Cl WXVL_AK00476SC1019 [0,2,0,0,0,0|2,0,0]=4 1713 B13R1.446 CCNC(=O)c1cc(cnc1Br)Cl WXVL_AK00476SC1019 [0,2,0,0,0,0|2,0,0]=4 1714 B13R1.446 CCNC(=O)c1cc(cnc1C)Br WXVL_AK00476SC1114 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.446 CCNC(=O)c1cc(cnc1C)Br WXVL_AK00476SC1114 [0,2,0,0,0,0|2,0,0]=4 1716 B13R1.446 CCNC(=O)c1cc(cnc1Cl)Br WXVL_AK00476SC0342 [0,2,0,0,0,0|2,0,0]=4 1717 B13R1.446 CCNC(=O)c1cc(cnc1Cl)Br WXVL_AK00476SC0342 [0,2,0,0,0,0|2,0,0]=4 1718 B13R1.446 CCNC(=O)c1cc(cnc1Cl)C WXVL_AK00476SC0124 [0,2,0,0,0,0|2,0,0]=4 1719 B13R1.446 CCNC(=O)c1cc(cnc1Cl)C WXVL_AK00476SC0124 [0,2,0,0,0,0|2,0,0]=4 1720 B13R1.446 CCNC(=O)c1cc(cnc1Cl)Cl WXVL_AK00476SC0377 [0,2,0,0,0,0|2,0,0]=4 1721 B13R1.446 CCNC(=O)c1cc(cnc1Cl)Cl WXVL_AK00476SC0377 [0,2,0,0,0,0|2,0,0]=4 1722 B13R1.446 CCNC(=O)c1cc(cnc1Cl)F WXVL_AK00476SC0372 [0,2,0,0,0,0|2,0,0]=4 1723 B13R1.446 CCNC(=O)c1cc(cnc1Cl)F WXVL_AK00476SC0372 [0,2,0,0,0,0|2,0,0]=4 1724 B13R1.446 CCNC(=O)c1cc(cnc1Cl)I WXVL_AK00476SC00133 [0,2,0,0,0,0|2,0,0]=4 1725 B13R1.446 CCNC(=O)c1cc(cnc1Cl)I WXVL_AK00476SC00133 [0,2,0,0,0,0|2,0,0]=4 1726 B13R1.446 CCNC(=O)c1cc(cnc1F)Br WXVL_AK00476SC0712 [0,2,0,0,0,0|2,0,0]=4 1727 B13R1.446 CCNC(=O)c1cc(cnc1F)Br WXVL_AK00476SC0712 [0,2,0,0,0,0|2,0,0]=4 1728 B13R1.446 CCNC(=O)c1cc(cnc1F)Cl WXVL_AK00476SC0575 [0,2,0,0,0,0|2,0,0]=4 1729 B13R1.446 CCNC(=O)c1cc(cnc1F)Cl WXVL_AK00476SC0575 [0,2,0,0,0,0|2,0,0]=4 1730 B13R1.446 CCNC(=O)c1cc(cnc1O)Br WXVL_AK00476SC0671 [0,2,0,0,0,0|2,0,0]=4 1731 B13R1.446 CCNC(=O)c1cc(cnc1O)Br WXVL_AK00476SC0671 [0,2,0,0,0,0|2,0,0]=4 1732 B13R1.446 CCNC(=O)c1cc(cnc1O)Cl WXVL_AK00476SC0161 [0,2,0,0,0,0|2,0,0]=4 1733 B13R1.446 CCNC(=O)c1cc(cnc1O)Cl WXVL_AK00476SC0161 [0,2,0,0,0,0|2,0,0]=4 1734 B13R1.446 CCNC(=O)c1cc(ncc1Br)Br WXVL_AK00476SC0520 [0,2,0,0,0,0|2,0,0]=4 1735 B13R1.446 CCNC(=O)c1cc(ncc1Br)Br WXVL_AK00476SC0520 [0,2,0,0,0,0|2,0,0]=4 1736 B13R1.446 CCNC(=O)c1cc(ncc1Br)Cl WXVL_AK00476SC0286 [0,2,0,0,0,0|2,0,0]=4 1737 B13R1.446 CCNC(=O)c1cc(ncc1Br)Cl WXVL_AK00476SC0286 [0,2,0,0,0,0|2,0,0]=4 1738 B13R1.446 CCNC(=O)c1cc(ncc1Br)F WXVL_AK00476SC0980 [0,2,0,0,0,0|2,0,0]=4 1739 B13R1.446 CCNC(=O)c1cc(ncc1Br)F WXVL_AK00476SC0980 [0,2,0,0,0,0|2,0,0]=4 1740 B13R1.446 CCNC(=O)c1cc(ncc1Cl)Br WXVL_AK00476SC0996 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.446 CCNC(=O)c1cc(ncc1Cl)Br WXVL_AK00476SC0996 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.446 CCNC(=O)c1cc(ncc1Cl)Cl WXVL_AK00476SC0356 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.446 CCNC(=O)c1cc(ncc1Cl)Cl WXVL_AK00476SC0356 [0,2,0,0,0,0|2,0,0]=4 1744 B13R1.446 CCNC(=O)c1cc(ncc1F)Br WXVL_AK00476SC0273 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.446 CCNC(=O)c1cc(ncc1F)Br WXVL_AK00476SC0273 [0,2,0,0,0,0|2,0,0]=4 1746 B13R1.446 CCNC(=O)c1cc(ncc1F)Cl WXVL_AK00476SC0255 [0,2,0,0,0,0|2,0,0]=4 1747 B13R1.446 CCNC(=O)c1cc(ncc1F)Cl WXVL_AK00476SC0255 [0,2,0,0,0,0|2,0,0]=4 1748 B13R1.446 CCNC(=O)c1nc(ccc1F)Cl WXVL_AK00476SC1009 [0,2,0,0,0,0|2,0,0]=4 1749 B13R1.446 CCNC(=O)c1nc(ccc1F)Cl WXVL_AK00476SC1009 [0,2,0,0,0,0|2,0,0]=4 1750 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br WXVL_AK00476SD0322 [0,2,0,0,0,0|1,0,0]=3 1751 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br WXVL_AK00476SD0322 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C WXVL_AK00476SD0805 [0,2,0,0,0,0|1,0,0]=3 1753 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C WXVL_AK00476SD0805 [0,2,0,0,0,0|1,0,0]=3 1754 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl WXVL_AK00476SD0292 [0,2,0,0,0,0|1,0,0]=3 1755 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl WXVL_AK00476SD0292 [0,2,0,0,0,0|1,0,0]=3 1756 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F WXVL_AK00476SD0494 [0,2,0,0,0,0|1,0,0]=3 1757 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F WXVL_AK00476SD0494 [0,2,0,0,0,0|1,0,0]=3 1758 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O WXVL_AK00476SD0742 [0,2,0,0,0,0|1,0,0]=3 1759 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O WXVL_AK00476SD0742 [0,2,0,0,0,0|1,0,0]=3 1760 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C WXVL_AK00476SD0058 [0,2,0,0,0,0|1,0,0]=3 1761 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C WXVL_AK00476SD0058 [0,2,0,0,0,0|1,0,0]=3 1762 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C WXVL_AK00476SD0173 [0,2,0,0,0,0|1,0,0]=3 1763 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C WXVL_AK00476SD0173 [0,2,0,0,0,0|1,0,0]=3 1764 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl WXVL_AK00476SD0214 [0,2,0,0,0,0|1,0,0]=3 1765 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl WXVL_AK00476SD0214 [0,2,0,0,0,0|1,0,0]=3 1766 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F WXVL_AK00476SD0182 [0,2,0,0,0,0|1,0,0]=3 1767 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F WXVL_AK00476SD0182 [0,2,0,0,0,0|1,0,0]=3 1768 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O WXVL_AK00476SD0891 [0,2,0,0,0,0|1,0,0]=3 1769 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O WXVL_AK00476SD0891 [0,2,0,0,0,0|1,0,0]=3 1770 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C WXVL_AK00476SD0444 [0,2,0,0,0,0|1,0,0]=3 1771 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C WXVL_AK00476SD0444 [0,2,0,0,0,0|1,0,0]=3 1772 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F WXVL_AK00476SD0090 [0,2,0,0,0,0|1,0,0]=3 1773 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F WXVL_AK00476SD0090 [0,2,0,0,0,0|1,0,0]=3 1774 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O WXVL_AK00476SD0722 [0,2,0,0,0,0|1,0,0]=3 1775 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O WXVL_AK00476SD0722 [0,2,0,0,0,0|1,0,0]=3 1776 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br WXVL_AK00476SD1124 [0,2,0,0,0,0|1,0,0]=3 1777 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br WXVL_AK00476SD1124 [0,2,0,0,0,0|1,0,0]=3 1778 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl WXVL_AK00476SD1014 [0,2,0,0,0,0|1,0,0]=3 1779 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl WXVL_AK00476SD1014 [0,2,0,0,0,0|1,0,0]=3 1780 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F WXVL_AK00476SD1604 [0,2,0,0,0,0|1,0,0]=3 1781 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F WXVL_AK00476SD1604 [0,2,0,0,0,0|1,0,0]=3 1782 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C WXVL_AK00476SD0503 [0,2,0,0,0,0|1,0,0]=3 1783 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C WXVL_AK00476SD0503 [0,2,0,0,0,0|1,0,0]=3 1784 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O WXVL_AK00476SD0152 [0,2,0,0,0,0|1,0,0]=3 1785 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O WXVL_AK00476SD0152 [0,2,0,0,0,0|1,0,0]=3 1786 B13R1.450 CCNC(=O)c1cc(cc(n1)C)C WXVL_AK00476SC00037 [0,2,0,0,0,0|2,0,0]=4 1787 B13R1.450 CCNC(=O)c1cc(cc(n1)C)C WXVL_AK00476SC00037 [0,2,0,0,0,0|2,0,0]=4 1788 B13R1.450 CCNC(=O)c1cc(cc(n1)Cl)C WXVL_AK00476SC0385 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.450 CCNC(=O)c1cc(cc(n1)Cl)C WXVL_AK00476SC0385 [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.450 CCNC(=O)c1cc(cc(n1)Cl)Cl WXVL_AK00476SC0772 [0,2,0,0,0,0|2,0,0]=4 1791 B13R1.450 CCNC(=O)c1cc(cc(n1)Cl)Cl WXVL_AK00476SC0772 [0,2,0,0,0,0|2,0,0]=4 1792 B13R1.450 CCNC(=O)c1cc(nc(c1)Br)Br WXVL_AK00476SC0394 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.450 CCNC(=O)c1cc(nc(c1)Br)Br WXVL_AK00476SC0394 [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.450 CCNC(=O)c1cc(nc(c1)Cl)C WXVL_AK00476SC0599 [0,2,0,0,0,0|2,0,0]=4 1795 B13R1.450 CCNC(=O)c1cc(nc(c1)Cl)C WXVL_AK00476SC0599 [0,2,0,0,0,0|2,0,0]=4 1796 B13R1.450 CCNC(=O)c1cc(nc(c1)Cl)Cl WXVL_AK00476SC0358 [0,2,0,0,0,0|2,0,0]=4 1797 B13R1.450 CCNC(=O)c1cc(nc(c1)Cl)Cl WXVL_AK00476SC0358 [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.450 CCNC(=O)c1cc(nc(c1)Cl)O WXVL_AK00476SC1413 [0,2,0,0,0,0|2,0,0]=4 1799 B13R1.450 CCNC(=O)c1cc(nc(c1)Cl)O WXVL_AK00476SC1413 [0,2,0,0,0,0|2,0,0]=4 1800 B13R1.450 CCNC(=O)c1cc(nc(c1)F)F WXVL_AK00476SC0594 [0,2,0,0,0,0|2,0,0]=4 1801 B13R1.450 CCNC(=O)c1cc(nc(c1)F)F WXVL_AK00476SC0594 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.450 CCNC(=O)c1cc(nc(c1)O)C WXVL_AK00476SC0876 [0,2,0,0,0,0|2,0,0]=4 1803 B13R1.450 CCNC(=O)c1cc(nc(c1)O)C WXVL_AK00476SC0876 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.460 C#Cc1cccc(c1)C(=O)NCC WXVL_AK00476SD1159 [0,2,0,0,0,0|1,0,0]=3 1805 B13R1.460 C#Cc1cccc(c1)C(=O)NCC WXVL_AK00476SD1159 [0,2,0,0,0,0|1,0,0]=3 1806 B13R1.460 CCNC(=O)c1cc(ccn1)CC WXVL_AK00476SC00058 [0,2,0,0,0,0|2,0,0]=4 1807 B13R1.460 CCNC(=O)c1cc(ccn1)CC WXVL_AK00476SC00058 [0,2,0,0,0,0|2,0,0]=4 1808 B13R1.460 CCNC(=O)c1cc(ccn1)CO WXVL_AK00476SC1099 [0,2,0,0,0,0|2,0,0]=4 1809 B13R1.460 CCNC(=O)c1cc(ccn1)CO WXVL_AK00476SC1099 [0,2,0,0,0,0|2,0,0]=4 1810 B13R1.460 CCNC(=O)c1cc(ccn1)OC WXVL_AK00476SC0403 [0,2,0,0,0,0|2,0,0]=4 1811 B13R1.460 CCNC(=O)c1cc(ccn1)OC WXVL_AK00476SC0403 [0,2,0,0,0,0|2,0,0]=4 1812 B13R1.460 CCNC(=O)c1cccc(c1)C#N WXVL_AK00476SD0040 [0,2,0,0,0,0|1,0,0]=3 1813 B13R1.460 CCNC(=O)c1cccc(c1)C#N WXVL_AK00476SD0040 [0,2,0,0,0,0|1,0,0]=3 1814 B13R1.460 CCNC(=O)c1cccc(c1)CC WXVL_AK00476SD1421 [0,2,0,0,0,0|1,0,0]=3 1815 B13R1.460 CCNC(=O)c1cccc(c1)CC WXVL_AK00476SD1421 [0,2,0,0,0,0|1,0,0]=3 1816 B13R1.460 CCNC(=O)c1cccc(c1)CO WXVL_AK00476SD0821 [0,2,0,0,0,0|1,0,0]=3 1817 B13R1.460 CCNC(=O)c1cccc(c1)CO WXVL_AK00476SD0821 [0,2,0,0,0,0|1,0,0]=3 1818 B13R1.460 CCNC(=O)c1cccc(c1)OC WXVL_AK00476SD0048 [0,2,0,0,0,0|1,0,0]=3 1819 B13R1.460 CCNC(=O)c1cccc(c1)OC WXVL_AK00476SD0048 [0,2,0,0,0,0|1,0,0]=3 1820 B13R1.460 CCNC(=O)c1cccc(c1)SC WXVL_AK00476SD1394 [0,2,0,0,0,0|1,0,0]=3 1821 B13R1.460 CCNC(=O)c1cccc(c1)SC WXVL_AK00476SD1394 [0,2,0,0,0,0|1,0,0]=3 1822 B13R1.460 CCNC(=O)c1cccc(n1)OC WXVL_AK00476SC0024 [0,2,0,0,0,0|2,0,0]=4 1823 B13R1.460 CCNC(=O)c1cccc(n1)OC WXVL_AK00476SC0024 [0,2,0,0,0,0|2,0,0]=4 1824 B13R1.460 CCNC(=O)c1ccnc(c1)OC WXVL_AK00476SC0449 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.460 CCNC(=O)c1ccnc(c1)OC WXVL_AK00476SC0449 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.460 CCNC(=O)c1cncc(c1)OC WXVL_AK00476SC0570 [0,2,0,0,0,0|2,0,0]=4 1827 B13R1.460 CCNC(=O)c1cncc(c1)OC WXVL_AK00476SC0570 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.460 CCOC(=O)c1cc(ncn1)NC WXVL_AK00442LP0764 [0,2,0,0,0,0|2,0,0]=4 1829 B13R1.460 CCOC(=O)c1cc(ncn1)NC WXVL_AK00442LP0764 [0,2,0,0,0,0|2,0,0]=4 1830 B13R1.11 C#C[C@@H](C)NC(=O)c1ccccc1 WXVL_AK00735SD0001 [0,2,0,0,0,0|1,0,0]=3 1831 B13R1.11 C#C[C@@H](C)NC(=O)c1ccccc1 WXVL_AK00735SD0001 [0,2,0,0,0,0|1,0,0]=3 1832 B13R1.11 C#C[C@@H](C)NC(=O)c1ccccn1 WXVL_AK00735SC0058 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.11 C#C[C@@H](C)NC(=O)c1ccccn1 WXVL_AK00735SC0058 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.11 C#C[C@@H](C)NC(=O)c1cccnc1 WXVL_AK00735SC0061 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.11 C#C[C@@H](C)NC(=O)c1cccnc1 WXVL_AK00735SC0061 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.11 C#C[C@@H](C)NC(=O)c1ccncc1 WXVL_AK00735SC0062 [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.11 C#C[C@@H](C)NC(=O)c1ccncc1 WXVL_AK00735SC0062 [0,2,0,0,0,0|2,0,0]=4 1838 B13R1.11 C=CC(C)NC(=O)c1ccccc1 WXVL_AK00769SD0001 [0,2,0,0,0,0|1,0,0]=3 1839 B13R1.11 C=CC(C)NC(=O)c1ccccc1 WXVL_AK00769SD0001 [0,2,0,0,0,0|1,0,0]=3 1840 B13R1.11 C=CC(C)NC(=O)c1ccccn1 WXVL_AK00769SC0058 [0,2,0,0,0,0|2,0,0]=4 1841 B13R1.11 C=CC(C)NC(=O)c1ccccn1 WXVL_AK00769SC0058 [0,2,0,0,0,0|2,0,0]=4 1842 B13R1.11 C=CC(C)NC(=O)c1cccnc1 WXVL_AK00769SC0061 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.11 C=CC(C)NC(=O)c1cccnc1 WXVL_AK00769SC0061 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.11 C=CC(C)NC(=O)c1ccncc1 WXVL_AK00769SC0062 [0,2,0,0,0,0|2,0,0]=4 1845 B13R1.11 C=CC(C)NC(=O)c1ccncc1 WXVL_AK00769SC0062 [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.11 CC(C#N)NC(=O)c1ccccc1 WXVL_AK00810SD0001 [0,2,0,0,0,0|1,0,0]=3 1847 B13R1.11 CC(C#N)NC(=O)c1ccccc1 WXVL_AK00810SD0001 [0,2,0,0,0,0|1,0,0]=3 1848 B13R1.11 CC(C#N)NC(=O)c1ccccn1 WXVL_AK00810SC0058 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.11 CC(C#N)NC(=O)c1ccccn1 WXVL_AK00810SC0058 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.11 CC(C#N)NC(=O)c1cccnc1 WXVL_AK00810SC0061 [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.11 CC(C#N)NC(=O)c1cccnc1 WXVL_AK00810SC0061 [0,2,0,0,0,0|2,0,0]=4 1852 B13R1.11 CC(C#N)NC(=O)c1ccncc1 WXVL_AK00810SC0062 [0,2,0,0,0,0|2,0,0]=4 1853 B13R1.11 CC(C#N)NC(=O)c1ccncc1 WXVL_AK00810SC0062 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [0,2,0,0,0,0|1,0,0]=3 1855 B13R1.11 CC[C@H](C)NC(=O)c1ccccc1 WXVL_AK00678SD0001 [0,2,0,0,0,0|1,0,0]=3 1856 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00678SC0058 [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00678SC0058 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.11 CC[C@H](C)NC(=O)c1cccnc1 WXVL_AK00678SC0061 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.11 CC[C@H](C)NC(=O)c1cccnc1 WXVL_AK00678SC0061 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.11 CC[C@H](C)NC(=O)c1ccncc1 WXVL_AK00678SC0062 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.11 CC[C@H](C)NC(=O)c1ccncc1 WXVL_AK00678SC0062 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,2,0,0,0,0|1,0,1]=4 1863 B13R1.11 CNC(=O)NC(=O)c1ccccc1 WXVL_AK00442YV0027 [0,2,0,0,0,0|1,0,1]=4 1864 B13R1.11 C[C@@H](CF)NC(=O)c1ccccc1 WXVL_AK00558SD0001 [0,2,0,0,0,0|1,0,0]=3 1865 B13R1.11 C[C@@H](CF)NC(=O)c1ccccc1 WXVL_AK00558SD0001 [0,2,0,0,0,0|1,0,0]=3 1866 B13R1.11 C[C@@H](CF)NC(=O)c1ccccn1 WXVL_AK00558SC0058 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.11 C[C@@H](CF)NC(=O)c1ccccn1 WXVL_AK00558SC0058 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.11 C[C@@H](CF)NC(=O)c1cccnc1 WXVL_AK00558SC0061 [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.11 C[C@@H](CF)NC(=O)c1cccnc1 WXVL_AK00558SC0061 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.11 C[C@@H](CF)NC(=O)c1ccncc1 WXVL_AK00558SC0062 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.11 C[C@@H](CF)NC(=O)c1ccncc1 WXVL_AK00558SC0062 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.11 C[C@@H](CO)NC(=O)c1ccccc1 WXVL_AK0109SD0001 [0,2,0,0,0,0|1,0,0]=3 1873 B13R1.11 C[C@@H](CO)NC(=O)c1ccccc1 WXVL_AK0109SD0001 [0,2,0,0,0,0|1,0,0]=3 1874 B13R1.11 C[C@@H](CO)NC(=O)c1ccccn1 WXVL_AK0109SC0058 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.11 C[C@@H](CO)NC(=O)c1ccccn1 WXVL_AK0109SC0058 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.11 C[C@@H](CO)NC(=O)c1cccnc1 WXVL_AK0109SC0061 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.11 C[C@@H](CO)NC(=O)c1cccnc1 WXVL_AK0109SC0061 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.11 C[C@@H](CO)NC(=O)c1ccncc1 WXVL_AK0109SC0062 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.11 C[C@@H](CO)NC(=O)c1ccncc1 WXVL_AK0109SC0062 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.24 C#CCCNC(=O)c1ccccc1 WXVL_AK3109SD0001 [0,2,0,0,0,0|1,0,0]=3 1881 B13R1.24 C#CCCNC(=O)c1ccccc1 WXVL_AK3109SD0001 [0,2,0,0,0,0|1,0,0]=3 1882 B13R1.24 C#CCCNC(=O)c1ccccn1 WXVL_AK3109SC0058 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.24 C#CCCNC(=O)c1ccccn1 WXVL_AK3109SC0058 [0,2,0,0,0,0|2,0,0]=4 1884 B13R1.24 C#CCCNC(=O)c1cccnc1 WXVL_AK3109SC0061 [0,2,0,0,0,0|2,0,0]=4 1885 B13R1.24 C#CCCNC(=O)c1cccnc1 WXVL_AK3109SC0061 [0,2,0,0,0,0|2,0,0]=4 1886 B13R1.24 C#CCCNC(=O)c1ccncc1 WXVL_AK3109SC0062 [0,2,0,0,0,0|2,0,0]=4 1887 B13R1.24 C#CCCNC(=O)c1ccncc1 WXVL_AK3109SC0062 [0,2,0,0,0,0|2,0,0]=4 1888 B13R1.24 C=CCCNC(=O)c1ccccc1 WXVL_AK00138SD0001 [0,2,0,0,0,0|1,0,0]=3 1889 B13R1.24 C=CCCNC(=O)c1ccccc1 WXVL_AK00138SD0001 [0,2,0,0,0,0|1,0,0]=3 1890 B13R1.24 C=CCCNC(=O)c1ccccn1 WXVL_AK00138SC0058 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.24 C=CCCNC(=O)c1ccccn1 WXVL_AK00138SC0058 [0,2,0,0,0,0|2,0,0]=4 1892 B13R1.24 C=CCCNC(=O)c1cccnc1 WXVL_AK00138SC0061 [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.24 C=CCCNC(=O)c1cccnc1 WXVL_AK00138SC0061 [0,2,0,0,0,0|2,0,0]=4 1894 B13R1.24 C=CCCNC(=O)c1ccncc1 WXVL_AK00138SC0062 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.24 C=CCCNC(=O)c1ccncc1 WXVL_AK00138SC0062 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,2,0,0,0,0|1,0,0]=3 1897 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,2,0,0,0,0|1,0,0]=3 1898 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,2,0,0,0,0|2,0,0]=4 1899 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,2,0,0,0,0|2,0,0]=4 1900 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,2,0,0,0,0|2,0,0]=4 1901 B13R1.24 CCCCNC(=O)c1cccnc1 WXVL_AK00588SC0061 [0,2,0,0,0,0|2,0,0]=4 1902 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,2,0,0,0,0|2,0,0]=4 1903 B13R1.24 CCCCNC(=O)c1ccncc1 WXVL_AK00588SC0062 [0,2,0,0,0,0|2,0,0]=4 1904 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,2,0,0,0,0|1,0,0]=3 1905 B13R1.24 CSCCNC(=O)c1ccccc1 WXVL_AK00440SD0001 [0,2,0,0,0,0|1,0,0]=3 1906 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.24 CSCCNC(=O)c1cccnc1 WXVL_AK00440SC0061 [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.24 CSCCNC(=O)c1cccnc1 WXVL_AK00440SC0061 [0,2,0,0,0,0|2,0,0]=4 1910 B13R1.24 CSCCNC(=O)c1ccncc1 WXVL_AK00440SC0062 [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.24 CSCCNC(=O)c1ccncc1 WXVL_AK00440SC0062 [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.24 N#CCCNC(=O)c1ccccc1 WXVL_AK0087SD0001 [0,2,0,0,0,0|1,0,0]=3 1913 B13R1.24 N#CCCNC(=O)c1ccccc1 WXVL_AK0087SD0001 [0,2,0,0,0,0|1,0,0]=3 1914 B13R1.24 N#CCCNC(=O)c1ccccn1 WXVL_AK0087SC0058 [0,2,0,0,0,0|2,0,0]=4 1915 B13R1.24 N#CCCNC(=O)c1ccccn1 WXVL_AK0087SC0058 [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.24 N#CCCNC(=O)c1cccnc1 WXVL_AK0087SC0061 [0,2,0,0,0,0|2,0,0]=4 1917 B13R1.24 N#CCCNC(=O)c1cccnc1 WXVL_AK0087SC0061 [0,2,0,0,0,0|2,0,0]=4 1918 B13R1.24 N#CCCNC(=O)c1ccncc1 WXVL_AK0087SC0062 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.24 N#CCCNC(=O)c1ccncc1 WXVL_AK0087SC0062 [0,2,0,0,0,0|2,0,0]=4 1920 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,2,0,0,0,0|1,0,0]=3 1921 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,2,0,0,0,0|1,0,0]=3 1922 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,2,0,0,0,0|2,0,0]=4 1923 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,2,0,0,0,0|2,0,0]=4 1924 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,2,0,0,0,0|2,0,0]=4 1926 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,2,0,0,0,0|2,0,0]=4 1927 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,2,0,0,0,0|2,0,0]=4 1928 B13R1.45 C=C(C)CNC(=O)c1ccccc1 WXVL_AK0761SD0001 [0,2,0,0,0,0|1,0,0]=3 1929 B13R1.45 C=C(C)CNC(=O)c1ccccc1 WXVL_AK0761SD0001 [0,2,0,0,0,0|1,0,0]=3 1930 B13R1.45 C=C(C)CNC(=O)c1ccccn1 WXVL_AK0761SC0058 [0,2,0,0,0,0|2,0,0]=4 1931 B13R1.45 C=C(C)CNC(=O)c1ccccn1 WXVL_AK0761SC0058 [0,2,0,0,0,0|2,0,0]=4 1932 B13R1.45 C=C(C)CNC(=O)c1cccnc1 WXVL_AK0761SC0061 [0,2,0,0,0,0|2,0,0]=4 1933 B13R1.45 C=C(C)CNC(=O)c1cccnc1 WXVL_AK0761SC0061 [0,2,0,0,0,0|2,0,0]=4 1934 B13R1.45 C=C(C)CNC(=O)c1ccncc1 WXVL_AK0761SC0062 [0,2,0,0,0,0|2,0,0]=4 1935 B13R1.45 C=C(C)CNC(=O)c1ccncc1 WXVL_AK0761SC0062 [0,2,0,0,0,0|2,0,0]=4 1936 B13R1.45 CC(C)CNC(=O)c1ccccc1 WXVL_AK00544SD0001 [0,2,0,0,0,0|1,0,0]=3 1937 B13R1.45 CC(C)CNC(=O)c1ccccc1 WXVL_AK00544SD0001 [0,2,0,0,0,0|1,0,0]=3 1938 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.45 CC(C)CNC(=O)c1cccnc1 WXVL_AK00544SC0061 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.45 CC(C)CNC(=O)c1cccnc1 WXVL_AK00544SC0061 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.45 CC(C)CNC(=O)c1ccncc1 WXVL_AK00544SC0062 [0,2,0,0,0,0|2,0,0]=4 1943 B13R1.45 CC(C)CNC(=O)c1ccncc1 WXVL_AK00544SC0062 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.45 CC(O)CNC(=O)c1ccccc1 WXVL_AK0052SD0001 [0,2,0,0,0,0|1,0,0]=3 1945 B13R1.45 CC(O)CNC(=O)c1ccccc1 WXVL_AK0052SD0001 [0,2,0,0,0,0|1,0,0]=3 1946 B13R1.45 CC(O)CNC(=O)c1ccccn1 WXVL_AK0052SC0058 [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.45 CC(O)CNC(=O)c1ccccn1 WXVL_AK0052SC0058 [0,2,0,0,0,0|2,0,0]=4 1948 B13R1.45 CC(O)CNC(=O)c1cccnc1 WXVL_AK0052SC0061 [0,2,0,0,0,0|2,0,0]=4 1949 B13R1.45 CC(O)CNC(=O)c1cccnc1 WXVL_AK0052SC0061 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.45 CC(O)CNC(=O)c1ccncc1 WXVL_AK0052SC0062 [0,2,0,0,0,0|2,0,0]=4 1951 B13R1.45 CC(O)CNC(=O)c1ccncc1 WXVL_AK0052SC0062 [0,2,0,0,0,0|2,0,0]=4 1952 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 WXVL_AK0113SD0001 [0,2,0,0,0,0|1,0,0]=3 1953 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 WXVL_AK0113SD0001 [0,2,0,0,0,0|1,0,0]=3 1954 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 WXVL_AK0113SC0058 [0,2,0,0,0,0|2,0,0]=4 1955 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 WXVL_AK0113SC0058 [0,2,0,0,0,0|2,0,0]=4 1956 B13R1.45 C[C@H](O)CNC(=O)c1cccnc1 WXVL_AK0113SC0061 [0,2,0,0,0,0|2,0,0]=4 1957 B13R1.45 C[C@H](O)CNC(=O)c1cccnc1 WXVL_AK0113SC0061 [0,2,0,0,0,0|2,0,0]=4 1958 B13R1.45 C[C@H](O)CNC(=O)c1ccncc1 WXVL_AK0113SC0062 [0,2,0,0,0,0|2,0,0]=4 1959 B13R1.45 C[C@H](O)CNC(=O)c1ccncc1 WXVL_AK0113SC0062 [0,2,0,0,0,0|2,0,0]=4 1960 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0084SB0466 [0,2,0,0,0,0|1,0,1]=4 1961 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0084SB0466 [0,2,0,0,0,0|1,0,1]=4 1962 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0147SD0001 [0,2,0,0,0,0|1,0,1]=4 1963 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0147SD0001 [0,2,0,0,0,0|1,0,1]=4 1964 B13R1.45 O=C(NCC(F)F)c1ccccc1 WXVL_AK0136SD0001 [0,2,0,0,0,0|1,0,0]=3 1965 B13R1.45 O=C(NCC(F)F)c1ccccc1 WXVL_AK0136SD0001 [0,2,0,0,0,0|1,0,0]=3 1966 B13R1.45 O=C(NCC(F)F)c1ccccn1 WXVL_AK0136SC0058 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.45 O=C(NCC(F)F)c1ccccn1 WXVL_AK0136SC0058 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.45 O=C(NCC(F)F)c1cccnc1 WXVL_AK0136SC0061 [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.45 O=C(NCC(F)F)c1cccnc1 WXVL_AK0136SC0061 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.45 O=C(NCC(F)F)c1ccncc1 WXVL_AK0136SC0062 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.45 O=C(NCC(F)F)c1ccncc1 WXVL_AK0136SC0062 [0,2,0,0,0,0|2,0,0]=4 1972 B13R1.674 C=CCNC(=O)c1ccccc1Br WXVL_AK00561SD0002 [0,2,0,0,0,0|1,0,1]=4 1973 B13R1.674 C=CCNC(=O)c1ccccc1Br WXVL_AK00561SD0002 [0,2,0,0,0,0|1,0,1]=4 1974 B13R1.674 C=CCNC(=O)c1ccccc1C WXVL_AK00561SD0037 [0,2,0,0,0,0|1,0,1]=4 1975 B13R1.674 C=CCNC(=O)c1ccccc1C WXVL_AK00561SD0037 [0,2,0,0,0,0|1,0,1]=4 1976 B13R1.674 C=CCNC(=O)c1ccccc1Cl WXVL_AK00561SD0006 [0,2,0,0,0,0|1,0,1]=4 1977 B13R1.674 C=CCNC(=O)c1ccccc1Cl WXVL_AK00561SD0006 [0,2,0,0,0,0|1,0,1]=4 1978 B13R1.674 C=CCNC(=O)c1ccccc1F WXVL_AK00561SD0003 [0,2,0,0,0,0|1,0,1]=4 1979 B13R1.674 C=CCNC(=O)c1ccccc1F WXVL_AK00561SD0003 [0,2,0,0,0,0|1,0,1]=4 1980 B13R1.674 C=CCNC(=O)c1ccccc1I WXVL_AK00561SD0303 [0,2,0,0,0,0|1,0,1]=4 1981 B13R1.674 C=CCNC(=O)c1ccccc1I WXVL_AK00561SD0303 [0,2,0,0,0,0|1,0,1]=4 1982 B13R1.674 C=CCNC(=O)c1ccccc1O WXVL_AK00561SD00056 [0,2,0,0,0,0|1,0,1]=4 1983 B13R1.674 C=CCNC(=O)c1ccccc1O WXVL_AK00561SD00056 [0,2,0,0,0,0|1,0,1]=4 1984 B13R1.674 C=CCNC(=O)c1ccccc1S WXVL_AK00561SD0153 [0,2,0,0,0,0|1,0,1]=4 1985 B13R1.674 C=CCNC(=O)c1ccccc1S WXVL_AK00561SD0153 [0,2,0,0,0,0|1,0,1]=4 1986 B13R1.674 CCCNC(=O)c1ccccc1Br WXVL_AK00504SD0002 [0,2,0,0,0,0|1,0,0]=3 1987 B13R1.674 CCCNC(=O)c1ccccc1Br WXVL_AK00504SD0002 [0,2,0,0,0,0|1,0,0]=3 1988 B13R1.674 CCCNC(=O)c1ccccc1C WXVL_AK00504SD0037 [0,2,0,0,0,0|1,0,0]=3 1989 B13R1.674 CCCNC(=O)c1ccccc1C WXVL_AK00504SD0037 [0,2,0,0,0,0|1,0,0]=3 1990 B13R1.674 CCCNC(=O)c1ccccc1Cl WXVL_AK00504SD0006 [0,2,0,0,0,0|1,0,0]=3 1991 B13R1.674 CCCNC(=O)c1ccccc1Cl WXVL_AK00504SD0006 [0,2,0,0,0,0|1,0,0]=3 1992 B13R1.674 CCCNC(=O)c1ccccc1F WXVL_AK00504SD0003 [0,2,0,0,0,0|1,0,0]=3 1993 B13R1.674 CCCNC(=O)c1ccccc1F WXVL_AK00504SD0003 [0,2,0,0,0,0|1,0,0]=3 1994 B13R1.674 CCCNC(=O)c1ccccc1I WXVL_AK00504SD0303 [0,2,0,0,0,0|1,0,0]=3 1995 B13R1.674 CCCNC(=O)c1ccccc1I WXVL_AK00504SD0303 [0,2,0,0,0,0|1,0,0]=3 1996 B13R1.674 CCCNC(=O)c1ccccc1O WXVL_AK00504SD00056 [0,2,0,0,0,0|1,0,0]=3 1997 B13R1.674 CCCNC(=O)c1ccccc1O WXVL_AK00504SD00056 [0,2,0,0,0,0|1,0,0]=3 1998 B13R1.674 CCCNC(=O)c1ccccc1S WXVL_AK00504SD0153 [0,2,0,0,0,0|1,0,0]=3 1999 B13R1.674 CCCNC(=O)c1ccccc1S WXVL_AK00504SD0153 [0,2,0,0,0,0|1,0,0]=3 2000 B13R1.674 CCCNC(=O)c1cccnc1Br WXVL_AK00504SC0367 [0,2,0,0,0,0|2,0,0]=4 2001 B13R1.674 CCCNC(=O)c1cccnc1Br WXVL_AK00504SC0367 [0,2,0,0,0,0|2,0,0]=4 2002 B13R1.674 CCCNC(=O)c1cccnc1C WXVL_AK00504SC0065 [0,2,0,0,0,0|2,0,0]=4 2003 B13R1.674 CCCNC(=O)c1cccnc1C WXVL_AK00504SC0065 [0,2,0,0,0,0|2,0,0]=4 2004 B13R1.674 CCCNC(=O)c1cccnc1Cl WXVL_AK00504SC0146 [0,2,0,0,0,0|2,0,0]=4 2005 B13R1.674 CCCNC(=O)c1cccnc1Cl WXVL_AK00504SC0146 [0,2,0,0,0,0|2,0,0]=4 2006 B13R1.674 CCCNC(=O)c1cccnc1F WXVL_AK00504SC0350 [0,2,0,0,0,0|2,0,0]=4 2007 B13R1.674 CCCNC(=O)c1cccnc1F WXVL_AK00504SC0350 [0,2,0,0,0,0|2,0,0]=4 2008 B13R1.674 CCCNC(=O)c1cccnc1O WXVL_AK00504SC0063 [0,2,0,0,0,0|2,0,0]=4 2009 B13R1.674 CCCNC(=O)c1cccnc1O WXVL_AK00504SC0063 [0,2,0,0,0,0|2,0,0]=4 2010 B13R1.674 CCCNC(=O)c1ccncc1Br WXVL_AK00504SC0365 [0,2,0,0,0,0|2,0,0]=4 2011 B13R1.674 CCCNC(=O)c1ccncc1Br WXVL_AK00504SC0365 [0,2,0,0,0,0|2,0,0]=4 2012 B13R1.674 CCCNC(=O)c1ccncc1Cl WXVL_AK00504SC0375 [0,2,0,0,0,0|2,0,0]=4 2013 B13R1.674 CCCNC(=O)c1ccncc1Cl WXVL_AK00504SC0375 [0,2,0,0,0,0|2,0,0]=4 2014 B13R1.674 CCCNC(=O)c1ccncc1F WXVL_AK00504SC0320 [0,2,0,0,0,0|2,0,0]=4 2015 B13R1.674 CCCNC(=O)c1ccncc1F WXVL_AK00504SC0320 [0,2,0,0,0,0|2,0,0]=4 2016 B13R1.674 CCCNC(=O)c1ccncc1O WXVL_AK00504SC0354 [0,2,0,0,0,0|2,0,0]=4 2017 B13R1.674 CCCNC(=O)c1ccncc1O WXVL_AK00504SC0354 [0,2,0,0,0,0|2,0,0]=4 2018 B13R1.674 CCCNC(=O)c1cnccc1Br WXVL_AK00504SC0500 [0,2,0,0,0,0|2,0,0]=4 2019 B13R1.674 CCCNC(=O)c1cnccc1Br WXVL_AK00504SC0500 [0,2,0,0,0,0|2,0,0]=4 2020 B13R1.674 CCCNC(=O)c1cnccc1C WXVL_AK00504SC0301 [0,2,0,0,0,0|2,0,0]=4 2021 B13R1.674 CCCNC(=O)c1cnccc1C WXVL_AK00504SC0301 [0,2,0,0,0,0|2,0,0]=4 2022 B13R1.674 CCCNC(=O)c1cnccc1Cl WXVL_AK00504SC0340 [0,2,0,0,0,0|2,0,0]=4 2023 B13R1.674 CCCNC(=O)c1cnccc1Cl WXVL_AK00504SC0340 [0,2,0,0,0,0|2,0,0]=4 2024 B13R1.674 CCCNC(=O)c1ncccc1Br WXVL_AK00504SC0501 [0,2,0,0,0,0|2,0,0]=4 2025 B13R1.674 CCCNC(=O)c1ncccc1Br WXVL_AK00504SC0501 [0,2,0,0,0,0|2,0,0]=4 2026 B13R1.674 CCCNC(=O)c1ncccc1C WXVL_AK00504SC0008 [0,2,0,0,0,0|2,0,0]=4 2027 B13R1.674 CCCNC(=O)c1ncccc1C WXVL_AK00504SC0008 [0,2,0,0,0,0|2,0,0]=4 2028 B13R1.674 CCCNC(=O)c1ncccc1Cl WXVL_AK00504SC0609 [0,2,0,0,0,0|2,0,0]=4 2029 B13R1.674 CCCNC(=O)c1ncccc1Cl WXVL_AK00504SC0609 [0,2,0,0,0,0|2,0,0]=4 2030 B13R1.674 CCCNC(=O)c1ncccc1F WXVL_AK00504SC0773 [0,2,0,0,0,0|2,0,0]=4 2031 B13R1.674 CCCNC(=O)c1ncccc1F WXVL_AK00504SC0773 [0,2,0,0,0,0|2,0,0]=4 2032 B13R1.674 Cc1ccccc1C(=O)NCC#N WXVL_AK0683SD0037 [0,2,0,0,0,0|1,0,1]=4 2033 B13R1.674 Cc1ccccc1C(=O)NCC#N WXVL_AK0683SD0037 [0,2,0,0,0,0|1,0,1]=4 2034 B13R1.674 Cc1ccccc1C(=O)NCCF WXVL_AK00466SD0037 [0,2,0,0,0,0|1,0,0]=3 2035 B13R1.674 Cc1ccccc1C(=O)NCCF WXVL_AK00466SD0037 [0,2,0,0,0,0|1,0,0]=3 2036 B13R1.674 Cc1cccnc1C(=O)NCCF WXVL_AK00466SC0008 [0,2,0,0,0,0|2,0,0]=4 2037 B13R1.674 Cc1cccnc1C(=O)NCCF WXVL_AK00466SC0008 [0,2,0,0,0,0|2,0,0]=4 2038 B13R1.674 Cc1ccncc1C(=O)NCCF WXVL_AK00466SC0301 [0,2,0,0,0,0|2,0,0]=4 2039 B13R1.674 Cc1ccncc1C(=O)NCCF WXVL_AK00466SC0301 [0,2,0,0,0,0|2,0,0]=4 2040 B13R1.674 Cc1ncccc1C(=O)NCCF WXVL_AK00466SC0065 [0,2,0,0,0,0|2,0,0]=4 2041 B13R1.674 Cc1ncccc1C(=O)NCCF WXVL_AK00466SC0065 [0,2,0,0,0,0|2,0,0]=4 2042 B13R1.674 N#CCNC(=O)c1ccccc1Br WXVL_AK0683SD0002 [0,2,0,0,0,0|1,0,1]=4 2043 B13R1.674 N#CCNC(=O)c1ccccc1Br WXVL_AK0683SD0002 [0,2,0,0,0,0|1,0,1]=4 2044 B13R1.674 N#CCNC(=O)c1ccccc1Cl WXVL_AK0683SD0006 [0,2,0,0,0,0|1,0,1]=4 2045 B13R1.674 N#CCNC(=O)c1ccccc1Cl WXVL_AK0683SD0006 [0,2,0,0,0,0|1,0,1]=4 2046 B13R1.674 N#CCNC(=O)c1ccccc1F WXVL_AK0683SD0003 [0,2,0,0,0,0|1,0,1]=4 2047 B13R1.674 N#CCNC(=O)c1ccccc1F WXVL_AK0683SD0003 [0,2,0,0,0,0|1,0,1]=4 2048 B13R1.674 N#CCNC(=O)c1ccccc1I WXVL_AK0683SD0303 [0,2,0,0,0,0|1,0,1]=4 2049 B13R1.674 N#CCNC(=O)c1ccccc1I WXVL_AK0683SD0303 [0,2,0,0,0,0|1,0,1]=4 2050 B13R1.674 N#CCNC(=O)c1ccccc1O WXVL_AK0683SD00056 [0,2,0,0,0,0|1,0,1]=4 2051 B13R1.674 N#CCNC(=O)c1ccccc1O WXVL_AK0683SD00056 [0,2,0,0,0,0|1,0,1]=4 2052 B13R1.674 N#CCNC(=O)c1ccccc1S WXVL_AK0683SD0153 [0,2,0,0,0,0|1,0,1]=4 2053 B13R1.674 N#CCNC(=O)c1ccccc1S WXVL_AK0683SD0153 [0,2,0,0,0,0|1,0,1]=4 2054 B13R1.674 O=C(NCCF)c1ccccc1Br WXVL_AK00466SD0002 [0,2,0,0,0,0|1,0,0]=3 2055 B13R1.674 O=C(NCCF)c1ccccc1Br WXVL_AK00466SD0002 [0,2,0,0,0,0|1,0,0]=3 2056 B13R1.674 O=C(NCCF)c1ccccc1Cl WXVL_AK00466SD0006 [0,2,0,0,0,0|1,0,0]=3 2057 B13R1.674 O=C(NCCF)c1ccccc1Cl WXVL_AK00466SD0006 [0,2,0,0,0,0|1,0,0]=3 2058 B13R1.674 O=C(NCCF)c1ccccc1F WXVL_AK00466SD0003 [0,2,0,0,0,0|1,0,0]=3 2059 B13R1.674 O=C(NCCF)c1ccccc1F WXVL_AK00466SD0003 [0,2,0,0,0,0|1,0,0]=3 2060 B13R1.674 O=C(NCCF)c1ccccc1I WXVL_AK00466SD0303 [0,2,0,0,0,0|1,0,0]=3 2061 B13R1.674 O=C(NCCF)c1ccccc1I WXVL_AK00466SD0303 [0,2,0,0,0,0|1,0,0]=3 2062 B13R1.674 O=C(NCCF)c1ccccc1O WXVL_AK00466SD00056 [0,2,0,0,0,0|1,0,0]=3 2063 B13R1.674 O=C(NCCF)c1ccccc1O WXVL_AK00466SD00056 [0,2,0,0,0,0|1,0,0]=3 2064 B13R1.674 O=C(NCCF)c1ccccc1S WXVL_AK00466SD0153 [0,2,0,0,0,0|1,0,0]=3 2065 B13R1.674 O=C(NCCF)c1ccccc1S WXVL_AK00466SD0153 [0,2,0,0,0,0|1,0,0]=3 2066 B13R1.674 O=C(NCCF)c1cccnc1Br WXVL_AK00466SC0367 [0,2,0,0,0,0|2,0,0]=4 2067 B13R1.674 O=C(NCCF)c1cccnc1Br WXVL_AK00466SC0367 [0,2,0,0,0,0|2,0,0]=4 2068 B13R1.674 O=C(NCCF)c1cccnc1Cl WXVL_AK00466SC0146 [0,2,0,0,0,0|2,0,0]=4 2069 B13R1.674 O=C(NCCF)c1cccnc1Cl WXVL_AK00466SC0146 [0,2,0,0,0,0|2,0,0]=4 2070 B13R1.674 O=C(NCCF)c1cccnc1F WXVL_AK00466SC0350 [0,2,0,0,0,0|2,0,0]=4 2071 B13R1.674 O=C(NCCF)c1cccnc1F WXVL_AK00466SC0350 [0,2,0,0,0,0|2,0,0]=4 2072 B13R1.674 O=C(NCCF)c1cccnc1O WXVL_AK00466SC0063 [0,2,0,0,0,0|2,0,0]=4 2073 B13R1.674 O=C(NCCF)c1cccnc1O WXVL_AK00466SC0063 [0,2,0,0,0,0|2,0,0]=4 2074 B13R1.674 O=C(NCCF)c1ccncc1Br WXVL_AK00466SC0365 [0,2,0,0,0,0|2,0,0]=4 2075 B13R1.674 O=C(NCCF)c1ccncc1Br WXVL_AK00466SC0365 [0,2,0,0,0,0|2,0,0]=4 2076 B13R1.674 O=C(NCCF)c1ccncc1Cl WXVL_AK00466SC0375 [0,2,0,0,0,0|2,0,0]=4 2077 B13R1.674 O=C(NCCF)c1ccncc1Cl WXVL_AK00466SC0375 [0,2,0,0,0,0|2,0,0]=4 2078 B13R1.674 O=C(NCCF)c1ccncc1F WXVL_AK00466SC0320 [0,2,0,0,0,0|2,0,0]=4 2079 B13R1.674 O=C(NCCF)c1ccncc1F WXVL_AK00466SC0320 [0,2,0,0,0,0|2,0,0]=4 2080 B13R1.674 O=C(NCCF)c1ccncc1O WXVL_AK00466SC0354 [0,2,0,0,0,0|2,0,0]=4 2081 B13R1.674 O=C(NCCF)c1ccncc1O WXVL_AK00466SC0354 [0,2,0,0,0,0|2,0,0]=4 2082 B13R1.674 O=C(NCCF)c1cnccc1Br WXVL_AK00466SC0500 [0,2,0,0,0,0|2,0,0]=4 2083 B13R1.674 O=C(NCCF)c1cnccc1Br WXVL_AK00466SC0500 [0,2,0,0,0,0|2,0,0]=4 2084 B13R1.674 O=C(NCCF)c1cnccc1Cl WXVL_AK00466SC0340 [0,2,0,0,0,0|2,0,0]=4 2085 B13R1.674 O=C(NCCF)c1cnccc1Cl WXVL_AK00466SC0340 [0,2,0,0,0,0|2,0,0]=4 2086 B13R1.674 O=C(NCCF)c1ncccc1Br WXVL_AK00466SC0501 [0,2,0,0,0,0|2,0,0]=4 2087 B13R1.674 O=C(NCCF)c1ncccc1Br WXVL_AK00466SC0501 [0,2,0,0,0,0|2,0,0]=4 2088 B13R1.674 O=C(NCCF)c1ncccc1Cl WXVL_AK00466SC0609 [0,2,0,0,0,0|2,0,0]=4 2089 B13R1.674 O=C(NCCF)c1ncccc1Cl WXVL_AK00466SC0609 [0,2,0,0,0,0|2,0,0]=4 2090 B13R1.674 O=C(NCCF)c1ncccc1F WXVL_AK00466SC0773 [0,2,0,0,0,0|2,0,0]=4 2091 B13R1.674 O=C(NCCF)c1ncccc1F WXVL_AK00466SC0773 [0,2,0,0,0,0|2,0,0]=4 2092 B13R1.86 CCN(CC)C(=O)c1ccccc1 WXVL_AN0042SD0001 [0,2,0,0,0,0|1,0,0]=3 2093 B13R1.86 CCN(CC)C(=O)c1ccccc1 WXVL_AN0042SD0001 [0,2,0,0,0,0|1,0,0]=3 2094 B13R1.86 CCN(CC)C(=O)c1ccccn1 WXVL_AN0042SC0058 [0,2,0,0,0,0|2,0,0]=4 2095 B13R1.86 CCN(CC)C(=O)c1ccccn1 WXVL_AN0042SC0058 [0,2,0,0,0,0|2,0,0]=4 2096 B13R1.86 CCN(CC)C(=O)c1cccnc1 WXVL_AN0042SC0061 [0,2,0,0,0,0|2,0,0]=4 2097 B13R1.86 CCN(CC)C(=O)c1cccnc1 WXVL_AN0042SC0061 [0,2,0,0,0,0|2,0,0]=4 2098 B13R1.86 CCN(CC)C(=O)c1ccncc1 WXVL_AN0042SC0062 [0,2,0,0,0,0|2,0,0]=4 2099 B13R1.86 CCN(CC)C(=O)c1ccncc1 WXVL_AN0042SC0062 [0,2,0,0,0,0|2,0,0]=4 2100 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 WXVL_AN0073SD0001 [0,2,0,0,0,0|1,0,0]=3 2101 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 WXVL_AN0073SD0001 [0,2,0,0,0,0|1,0,0]=3 2102 B13R1.152 CC(C)N(C)C(=O)c1ccccn1 WXVL_AN0073SC0058 [0,2,0,0,0,0|2,0,0]=4 2103 B13R1.152 CC(C)N(C)C(=O)c1ccccn1 WXVL_AN0073SC0058 [0,2,0,0,0,0|2,0,0]=4 2104 B13R1.152 CC(C)N(C)C(=O)c1cccnc1 WXVL_AN0073SC0061 [0,2,0,0,0,0|2,0,0]=4 2105 B13R1.152 CC(C)N(C)C(=O)c1cccnc1 WXVL_AN0073SC0061 [0,2,0,0,0,0|2,0,0]=4 2106 B13R1.152 CC(C)N(C)C(=O)c1ccncc1 WXVL_AN0073SC0062 [0,2,0,0,0,0|2,0,0]=4 2107 B13R1.152 CC(C)N(C)C(=O)c1ccncc1 WXVL_AN0073SC0062 [0,2,0,0,0,0|2,0,0]=4 2108 B13R1.152 CN(C)C(=O)C(=O)c1ccccc1 WXVL_AN0032SB0050 [0,2,0,0,0,0|2,0,0]=4 2109 B13R1.152 CN(C)C(=O)C(=O)c1ccccc1 WXVL_AN0032SB0050 [0,2,0,0,0,0|2,0,0]=4 2110 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br WXVL_AK00476HU0055 [0,2,0,0,0,0|2,0,0]=4 2111 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br WXVL_AK00476HU0055 [0,2,0,0,0,0|2,0,0]=4 2112 B13R1.2819 CCNS(=O)(=O)c1ccccc1Cl WXVL_AK00476HU0048 [0,2,0,0,0,0|2,0,0]=4 2113 B13R1.2819 CCNS(=O)(=O)c1ccccc1Cl WXVL_AK00476HU0048 [0,2,0,0,0,0|2,0,0]=4 2114 B13R1.2819 CCNS(=O)(=O)c1ccccc1F WXVL_AK00476HU0042 [0,2,0,0,0,0|2,0,0]=4 2115 B13R1.2819 CCNS(=O)(=O)c1ccccc1F WXVL_AK00476HU0042 [0,2,0,0,0,0|2,0,0]=4 2116 B13R1.201 CC(C)NC(=O)c1ccccc1Br WXVL_AK0030SD0002 [0,2,0,0,0,0|1,0,0]=3 2117 B13R1.201 CC(C)NC(=O)c1ccccc1Br WXVL_AK0030SD0002 [0,2,0,0,0,0|1,0,0]=3 2118 B13R1.201 CC(C)NC(=O)c1ccccc1Cl WXVL_AK0030SD0006 [0,2,0,0,0,0|1,0,0]=3 2119 B13R1.201 CC(C)NC(=O)c1ccccc1Cl WXVL_AK0030SD0006 [0,2,0,0,0,0|1,0,0]=3 2120 B13R1.201 CC(C)NC(=O)c1ccccc1F WXVL_AK0030SD0003 [0,2,0,0,0,0|1,0,0]=3 2121 B13R1.201 CC(C)NC(=O)c1ccccc1F WXVL_AK0030SD0003 [0,2,0,0,0,0|1,0,0]=3 2122 B13R1.201 CC(C)NC(=O)c1ccccc1I WXVL_AK0030SD0303 [0,2,0,0,0,0|1,0,0]=3 2123 B13R1.201 CC(C)NC(=O)c1ccccc1I WXVL_AK0030SD0303 [0,2,0,0,0,0|1,0,0]=3 2124 B13R1.201 CC(C)NC(=O)c1ccccc1O WXVL_AK0030SD00056 [0,2,0,0,0,0|1,0,0]=3 2125 B13R1.201 CC(C)NC(=O)c1ccccc1O WXVL_AK0030SD00056 [0,2,0,0,0,0|1,0,0]=3 2126 B13R1.201 CC(C)NC(=O)c1ccccc1S WXVL_AK0030SD0153 [0,2,0,0,0,0|1,0,0]=3 2127 B13R1.201 CC(C)NC(=O)c1ccccc1S WXVL_AK0030SD0153 [0,2,0,0,0,0|1,0,0]=3 2128 B13R1.201 CC(C)NC(=O)c1cccnc1Br WXVL_AK0030SC0367 [0,2,0,0,0,0|2,0,0]=4 2129 B13R1.201 CC(C)NC(=O)c1cccnc1Br WXVL_AK0030SC0367 [0,2,0,0,0,0|2,0,0]=4 2130 B13R1.201 CC(C)NC(=O)c1cccnc1Cl WXVL_AK0030SC0146 [0,2,0,0,0,0|2,0,0]=4 2131 B13R1.201 CC(C)NC(=O)c1cccnc1Cl WXVL_AK0030SC0146 [0,2,0,0,0,0|2,0,0]=4 2132 B13R1.201 CC(C)NC(=O)c1cccnc1F WXVL_AK0030SC0350 [0,2,0,0,0,0|2,0,0]=4 2133 B13R1.201 CC(C)NC(=O)c1cccnc1F WXVL_AK0030SC0350 [0,2,0,0,0,0|2,0,0]=4 2134 B13R1.201 CC(C)NC(=O)c1cccnc1O WXVL_AK0030SC0063 [0,2,0,0,0,0|2,0,0]=4 2135 B13R1.201 CC(C)NC(=O)c1cccnc1O WXVL_AK0030SC0063 [0,2,0,0,0,0|2,0,0]=4 2136 B13R1.201 CC(C)NC(=O)c1ccncc1Br WXVL_AK0030SC0365 [0,2,0,0,0,0|2,0,0]=4 2137 B13R1.201 CC(C)NC(=O)c1ccncc1Br WXVL_AK0030SC0365 [0,2,0,0,0,0|2,0,0]=4 2138 B13R1.201 CC(C)NC(=O)c1ccncc1Cl WXVL_AK0030SC0375 [0,2,0,0,0,0|2,0,0]=4 2139 B13R1.201 CC(C)NC(=O)c1ccncc1Cl WXVL_AK0030SC0375 [0,2,0,0,0,0|2,0,0]=4 2140 B13R1.201 CC(C)NC(=O)c1ccncc1F WXVL_AK0030SC0320 [0,2,0,0,0,0|2,0,0]=4 2141 B13R1.201 CC(C)NC(=O)c1ccncc1F WXVL_AK0030SC0320 [0,2,0,0,0,0|2,0,0]=4 2142 B13R1.201 CC(C)NC(=O)c1ccncc1O WXVL_AK0030SC0354 [0,2,0,0,0,0|2,0,0]=4 2143 B13R1.201 CC(C)NC(=O)c1ccncc1O WXVL_AK0030SC0354 [0,2,0,0,0,0|2,0,0]=4 2144 B13R1.201 CC(C)NC(=O)c1cnccc1Br WXVL_AK0030SC0500 [0,2,0,0,0,0|2,0,0]=4 2145 B13R1.201 CC(C)NC(=O)c1cnccc1Br WXVL_AK0030SC0500 [0,2,0,0,0,0|2,0,0]=4 2146 B13R1.201 CC(C)NC(=O)c1cnccc1Cl WXVL_AK0030SC0340 [0,2,0,0,0,0|2,0,0]=4 2147 B13R1.201 CC(C)NC(=O)c1cnccc1Cl WXVL_AK0030SC0340 [0,2,0,0,0,0|2,0,0]=4 2148 B13R1.201 CC(C)NC(=O)c1ncccc1Br WXVL_AK0030SC0501 [0,2,0,0,0,0|2,0,0]=4 2149 B13R1.201 CC(C)NC(=O)c1ncccc1Br WXVL_AK0030SC0501 [0,2,0,0,0,0|2,0,0]=4 2150 B13R1.201 CC(C)NC(=O)c1ncccc1Cl WXVL_AK0030SC0609 [0,2,0,0,0,0|2,0,0]=4 2151 B13R1.201 CC(C)NC(=O)c1ncccc1Cl WXVL_AK0030SC0609 [0,2,0,0,0,0|2,0,0]=4 2152 B13R1.201 CC(C)NC(=O)c1ncccc1F WXVL_AK0030SC0773 [0,2,0,0,0,0|2,0,0]=4 2153 B13R1.201 CC(C)NC(=O)c1ncccc1F WXVL_AK0030SC0773 [0,2,0,0,0,0|2,0,0]=4 2154 B13R1.201 Cc1ccccc1C(=O)NC(C)C WXVL_AK0030SD0037 [0,2,0,0,0,0|1,0,0]=3 2155 B13R1.201 Cc1ccccc1C(=O)NC(C)C WXVL_AK0030SD0037 [0,2,0,0,0,0|1,0,0]=3 2156 B13R1.201 Cc1cccnc1C(=O)NC(C)C WXVL_AK0030SC0008 [0,2,0,0,0,0|2,0,0]=4 2157 B13R1.201 Cc1cccnc1C(=O)NC(C)C WXVL_AK0030SC0008 [0,2,0,0,0,0|2,0,0]=4 2158 B13R1.201 Cc1ccncc1C(=O)NC(C)C WXVL_AK0030SC0301 [0,2,0,0,0,0|2,0,0]=4 2159 B13R1.201 Cc1ccncc1C(=O)NC(C)C WXVL_AK0030SC0301 [0,2,0,0,0,0|2,0,0]=4 2160 B13R1.201 Cc1ncccc1C(=O)NC(C)C WXVL_AK0030SC0065 [0,2,0,0,0,0|2,0,0]=4 2161 B13R1.201 Cc1ncccc1C(=O)NC(C)C WXVL_AK0030SC0065 [0,2,0,0,0,0|2,0,0]=4 2162 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 WXVL_AK0024SD0001 [0,2,0,0,0,0|1,0,0]=3 2163 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 WXVL_AK0024SD0001 [0,2,0,0,0,0|1,0,0]=3 2164 B13R1.352 CC(C)(C)NC(=O)c1ccccn1 WXVL_AK0024SC0058 [0,2,0,0,0,0|2,0,0]=4 2165 B13R1.352 CC(C)(C)NC(=O)c1ccccn1 WXVL_AK0024SC0058 [0,2,0,0,0,0|2,0,0]=4 2166 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 WXVL_AK0024SC0061 [0,2,0,0,0,0|2,0,0]=4 2167 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 WXVL_AK0024SC0061 [0,2,0,0,0,0|2,0,0]=4 2168 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 WXVL_AK0024SC0062 [0,2,0,0,0,0|2,0,0]=4 2169 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 WXVL_AK0024SC0062 [0,2,0,0,0,0|2,0,0]=4 2170 B13R1.464 C#Cc1ccccc1C(=O)NCC WXVL_AK00476SD1151 [0,2,0,0,0,0|1,0,0]=3 2171 B13R1.464 C#Cc1ccccc1C(=O)NCC WXVL_AK00476SD1151 [0,2,0,0,0,0|1,0,0]=3 2172 B13R1.464 CCNC(=O)c1ccccc1C#N WXVL_AK00476SD0111 [0,2,0,0,0,0|1,0,0]=3 2173 B13R1.464 CCNC(=O)c1ccccc1C#N WXVL_AK00476SD0111 [0,2,0,0,0,0|1,0,0]=3 2174 B13R1.464 CCNC(=O)c1ccccc1CC WXVL_AK00476SD0112 [0,2,0,0,0,0|1,0,0]=3 2175 B13R1.464 CCNC(=O)c1ccccc1CC WXVL_AK00476SD0112 [0,2,0,0,0,0|1,0,0]=3 2176 B13R1.464 CCNC(=O)c1ccccc1CO WXVL_AK00476SD1772 [0,2,0,0,0,0|1,0,0]=3 2177 B13R1.464 CCNC(=O)c1ccccc1CO WXVL_AK00476SD1772 [0,2,0,0,0,0|1,0,0]=3 2178 B13R1.464 CCNC(=O)c1ccccc1OC WXVL_AK00476SD0016 [0,2,0,0,0,0|1,0,0]=3 2179 B13R1.464 CCNC(=O)c1ccccc1OC WXVL_AK00476SD0016 [0,2,0,0,0,0|1,0,0]=3 2180 B13R1.464 CCNC(=O)c1ccccc1SC WXVL_AK00476SD0102 [0,2,0,0,0,0|1,0,0]=3 2181 B13R1.464 CCNC(=O)c1ccccc1SC WXVL_AK00476SD0102 [0,2,0,0,0,0|1,0,0]=3 2182 B13R1.464 CCNC(=O)c1cccnc1CC WXVL_AK00476SC1247 [0,2,0,0,0,0|2,0,0]=4 2183 B13R1.464 CCNC(=O)c1cccnc1CC WXVL_AK00476SC1247 [0,2,0,0,0,0|2,0,0]=4 2184 B13R1.464 CCNC(=O)c1cccnc1OC WXVL_AK00476SC0078 [0,2,0,0,0,0|2,0,0]=4 2185 B13R1.464 CCNC(=O)c1cccnc1OC WXVL_AK00476SC0078 [0,2,0,0,0,0|2,0,0]=4 2186 B13R1.464 CCNC(=O)c1cccnc1SC WXVL_AK00476SC0821 [0,2,0,0,0,0|2,0,0]=4 2187 B13R1.464 CCNC(=O)c1cccnc1SC WXVL_AK00476SC0821 [0,2,0,0,0,0|2,0,0]=4 2188 B13R1.464 CCNC(=O)c1cnccc1C#N WXVL_AK00476SC0979 [0,2,0,0,0,0|2,0,0]=4 2189 B13R1.464 CCNC(=O)c1cnccc1C#N WXVL_AK00476SC0979 [0,2,0,0,0,0|2,0,0]=4 2190 B13R1.464 CCNC(=O)c1ncccc1OC WXVL_AK00476SC0817 [0,2,0,0,0,0|2,0,0]=4 2191 B13R1.464 CCNC(=O)c1ncccc1OC WXVL_AK00476SC0817 [0,2,0,0,0,0|2,0,0]=4 2192 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br WXVL_AK00476SD0851 [0,2,0,0,0,0|1,0,0]=3 2193 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br WXVL_AK00476SD0851 [0,2,0,0,0,0|1,0,0]=3 2194 B13R1.4453 CCNC(=O)c1c(cccc1Br)C WXVL_AK00476SD1153 [0,2,0,0,0,0|1,0,0]=3 2195 B13R1.4453 CCNC(=O)c1c(cccc1Br)C WXVL_AK00476SD1153 [0,2,0,0,0,0|1,0,0]=3 2196 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl WXVL_AK00476SD0506 [0,2,0,0,0,0|1,0,0]=3 2197 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl WXVL_AK00476SD0506 [0,2,0,0,0,0|1,0,0]=3 2198 B13R1.4453 CCNC(=O)c1c(cccc1Br)F WXVL_AK00476SD0403 [0,2,0,0,0,0|1,0,0]=3 2199 B13R1.4453 CCNC(=O)c1c(cccc1Br)F WXVL_AK00476SD0403 [0,2,0,0,0,0|1,0,0]=3 2200 B13R1.4453 CCNC(=O)c1c(cccc1Br)O WXVL_AK00476SD1602 [0,2,0,0,0,0|1,0,0]=3 2201 B13R1.4453 CCNC(=O)c1c(cccc1Br)O WXVL_AK00476SD1602 [0,2,0,0,0,0|1,0,0]=3 2202 B13R1.4453 CCNC(=O)c1c(cccc1C)C WXVL_AK00476SD0861 [0,2,0,0,0,0|1,0,0]=3 2203 B13R1.4453 CCNC(=O)c1c(cccc1C)C WXVL_AK00476SD0861 [0,2,0,0,0,0|1,0,0]=3 2204 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C WXVL_AK00476SD0615 [0,2,0,0,0,0|1,0,0]=3 2205 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C WXVL_AK00476SD0615 [0,2,0,0,0,0|1,0,0]=3 2206 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl WXVL_AK00476SD0012 [0,2,0,0,0,0|1,0,0]=3 2207 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl WXVL_AK00476SD0012 [0,2,0,0,0,0|1,0,0]=3 2208 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F WXVL_AK00476SD0011 [0,2,0,0,0,0|1,0,0]=3 2209 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F WXVL_AK00476SD0011 [0,2,0,0,0,0|1,0,0]=3 2210 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O WXVL_AK00476SD0796 [0,2,0,0,0,0|1,0,0]=3 2211 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O WXVL_AK00476SD0796 [0,2,0,0,0,0|1,0,0]=3 2212 B13R1.4453 CCNC(=O)c1c(cccc1F)C WXVL_AK00476SD0136 [0,2,0,0,0,0|1,0,0]=3 2213 B13R1.4453 CCNC(=O)c1c(cccc1F)C WXVL_AK00476SD0136 [0,2,0,0,0,0|1,0,0]=3 2214 B13R1.4453 CCNC(=O)c1c(cccc1F)F WXVL_AK00476SD0005 [0,2,0,0,0,0|1,0,0]=3 2215 B13R1.4453 CCNC(=O)c1c(cccc1F)F WXVL_AK00476SD0005 [0,2,0,0,0,0|1,0,0]=3 2216 B13R1.4453 CCNC(=O)c1c(cccc1F)O WXVL_AK00476SD0472 [0,2,0,0,0,0|1,0,0]=3 2217 B13R1.4453 CCNC(=O)c1c(cccc1F)O WXVL_AK00476SD0472 [0,2,0,0,0,0|1,0,0]=3 2218 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl WXVL_AK00476SD1366 [0,2,0,0,0,0|1,0,0]=3 2219 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl WXVL_AK00476SD1366 [0,2,0,0,0,0|1,0,0]=3 2220 B13R1.4453 CCNC(=O)c1c(cccc1I)F WXVL_AK00476SD0526 [0,2,0,0,0,0|1,0,0]=3 2221 B13R1.4453 CCNC(=O)c1c(cccc1I)F WXVL_AK00476SD0526 [0,2,0,0,0,0|1,0,0]=3 2222 B13R1.4453 CCNC(=O)c1c(cccc1O)C WXVL_AK00476SD0804 [0,2,0,0,0,0|1,0,0]=3 2223 B13R1.4453 CCNC(=O)c1c(cccc1O)C WXVL_AK00476SD0804 [0,2,0,0,0,0|1,0,0]=3 2224 B13R1.4453 CCNC(=O)c1c(cccc1O)O WXVL_AK00476SD0150 [0,2,0,0,0,0|1,0,0]=3 2225 B13R1.4453 CCNC(=O)c1c(cccc1O)O WXVL_AK00476SD0150 [0,2,0,0,0,0|1,0,0]=3 2226 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)Br WXVL_AK00476SC2040 [0,2,0,0,0,0|2,0,0]=4 2227 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)Br WXVL_AK00476SC2040 [0,2,0,0,0,0|2,0,0]=4 2228 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)C WXVL_AK00476SC2681 [0,2,0,0,0,0|2,0,0]=4 2229 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)C WXVL_AK00476SC2681 [0,2,0,0,0,0|2,0,0]=4 2230 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)Cl WXVL_AK00476SC0351 [0,2,0,0,0,0|2,0,0]=4 2231 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)Cl WXVL_AK00476SC0351 [0,2,0,0,0,0|2,0,0]=4 2232 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)F WXVL_AK00476SC1022 [0,2,0,0,0,0|2,0,0]=4 2233 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)F WXVL_AK00476SC1022 [0,2,0,0,0,0|2,0,0]=4 2234 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)I WXVL_AK00476SC0532 [0,2,0,0,0,0|2,0,0]=4 2235 B13R1.4453 CCNC(=O)c1c(ccnc1Cl)I WXVL_AK00476SC0532 [0,2,0,0,0,0|2,0,0]=4 2236 B13R1.4453 CCNC(=O)c1c(ccnc1F)I WXVL_AK00476SC0218 [0,2,0,0,0,0|2,0,0]=4 2237 B13R1.4453 CCNC(=O)c1c(ccnc1F)I WXVL_AK00476SC0218 [0,2,0,0,0,0|2,0,0]=4 2238 B13R1.4453 CCNC(=O)c1c(cncc1Br)Br WXVL_AK00476SC0748 [0,2,0,0,0,0|2,0,0]=4 2239 B13R1.4453 CCNC(=O)c1c(cncc1Br)Br WXVL_AK00476SC0748 [0,2,0,0,0,0|2,0,0]=4 2240 B13R1.4453 CCNC(=O)c1c(cncc1Br)F WXVL_AK00476SC1080 [0,2,0,0,0,0|2,0,0]=4 2241 B13R1.4453 CCNC(=O)c1c(cncc1Br)F WXVL_AK00476SC1080 [0,2,0,0,0,0|2,0,0]=4 2242 B13R1.4453 CCNC(=O)c1c(cncc1Cl)Cl WXVL_AK00476SC0173 [0,2,0,0,0,0|2,0,0]=4 2243 B13R1.4453 CCNC(=O)c1c(cncc1Cl)Cl WXVL_AK00476SC0173 [0,2,0,0,0,0|2,0,0]=4 2244 B13R1.4453 CCNC(=O)c1c(cncc1F)F WXVL_AK00476SC0642 [0,2,0,0,0,0|2,0,0]=4 2245 B13R1.4453 CCNC(=O)c1c(cncc1F)F WXVL_AK00476SC0642 [0,2,0,0,0,0|2,0,0]=4 2246 B13R2.444 O=C(Nc1ccccc1)C2CC2 WXVL_AG00183SB0038 [0,0,0,1,0,1|1,0,0]=3 2247 B13R2.444 O=C(Nc1ccccc1)C2CC2 WXVL_AG00183SB0038 [0,0,0,1,0,1|1,0,0]=3 2248 B13R2.444 O=C(Nc1ccccn1)C2CC2 WXVL_AF00298SB0038 [0,0,0,1,0,1|2,0,0]=4 2249 B13R2.444 O=C(Nc1ccccn1)C2CC2 WXVL_AF00298SB0038 [0,0,0,1,0,1|2,0,0]=4 2250 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT0919 [0,1,0,1,0,0|1,0,1]=4 2251 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT1115 [0,1,0,1,0,0|1,0,1]=4 2252 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT2957 [0,1,0,1,0,0|1,0,1]=4 2253 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT0919 [0,1,0,1,0,0|1,0,1]=4 2254 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT1115 [0,1,0,1,0,0|1,0,1]=4 2255 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT2957 [0,1,0,1,0,0|1,0,1]=4 2256 B13R2.690 O=C(NC1CC1)c2ccccc2 WXVL_AK0001SD0001 [0,1,0,1,0,0|1,0,0]=3 2257 B13R2.690 O=C(NC1CC1)c2ccccc2 WXVL_AK0001SD0001 [0,1,0,1,0,0|1,0,0]=3 2258 B13R2.690 O=C(NC1CC1)c2ccccn2 WXVL_AK0001SC0058 [0,1,0,1,0,0|2,0,0]=4 2259 B13R2.690 O=C(NC1CC1)c2ccccn2 WXVL_AK0001SC0058 [0,1,0,1,0,0|2,0,0]=4 2260 B13R2.690 O=C(NC1CC1)c2cccnc2 WXVL_AK0001SC0061 [0,1,0,1,0,0|2,0,0]=4 2261 B13R2.690 O=C(NC1CC1)c2cccnc2 WXVL_AK0001SC0061 [0,1,0,1,0,0|2,0,0]=4 2262 B13R2.690 O=C(NC1CC1)c2ccncc2 WXVL_AK0001SC0062 [0,1,0,1,0,0|2,0,0]=4 2263 B13R2.690 O=C(NC1CC1)c2ccncc2 WXVL_AK0001SC0062 [0,1,0,1,0,0|2,0,0]=4 2264 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [1,0,0,0,1,0|2,0,0]=4 2265 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [1,0,0,0,1,0|2,0,0]=4 2266 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,0,0,0,1,0|2,0,0]=4 2267 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [1,0,0,0,1,0|2,0,0]=4 2268 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [1,0,0,0,1,0|2,0,0]=4 2269 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [1,0,0,0,1,0|2,0,0]=4 2270 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [1,0,0,0,1,0|2,0,0]=4 2271 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [1,0,0,0,1,0|2,0,0]=4 2272 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [1,0,0,0,1,0|2,0,0]=4 2273 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [1,0,0,0,1,0|2,0,0]=4 2274 B13R1.42 C/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0340 [0,0,0,0,0,2|1,0,1]=4 2275 B13R1.42 C/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0340 [0,0,0,0,0,2|1,0,1]=4 2276 B13R1.42 CC#CC(=O)NCc1ccccc1 WXVL_AK00502SB1240 [0,0,0,0,0,2|1,0,1]=4 2277 B13R1.42 CC#CC(=O)NCc1ccccc1 WXVL_AK00502SB1240 [0,0,0,0,0,2|1,0,1]=4 2278 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,0,0,0,0,2|1,0,0]=3 2279 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,0,0,0,0,2|1,0,0]=3 2280 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,0,0,0,0,2|2,0,0]=4 2281 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,0,0,0,0,2|2,0,0]=4 2282 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [0,0,0,0,0,2|2,0,0]=4 2283 B13R1.42 CCCC(=O)NCc1cccnc1 WXVL_AK0020SB0073 [0,0,0,0,0,2|2,0,0]=4 2284 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [0,0,0,0,0,2|2,0,0]=4 2285 B13R1.42 CCCC(=O)NCc1ccncc1 WXVL_AK0021SB0073 [0,0,0,0,0,2|2,0,0]=4 2286 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,0,0,0,0,2|1,0,0]=3 2287 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,0,0,0,0,2|1,0,0]=3 2288 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [0,0,0,0,0,2|2,0,0]=4 2289 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [0,0,0,0,0,2|2,0,0]=4 2290 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [0,0,0,0,0,2|1,0,0]=3 2291 B13R1.42 CCNC(=O)C#Cc1ccccc1 WXVL_AK00476SB0114 [0,0,0,0,0,2|1,0,0]=3 2292 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,0,0,0,0,2|1,0,0]=3 2293 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,0,0,0,0,2|1,0,0]=3 2294 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,0,0,0,0,2|2,0,0]=4 2295 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,0,0,0,0,2|2,0,0]=4 2296 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [0,0,0,0,0,2|2,0,0]=4 2297 B13R1.42 CCNC(=O)CCc1cccnc1 WXVL_AK00476SA0031 [0,0,0,0,0,2|2,0,0]=4 2298 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,0,0,0,0,2|1,0,0]=3 2299 B13R1.42 CCNC(=O)COc1ccccc1 WXVL_AK00476SB0086 [0,0,0,0,0,2|1,0,0]=3 2300 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [0,0,0,0,0,2|2,0,0]=4 2301 B13R1.42 CCNC(=O)COc1cccnc1 WXVL_AK00476SA0051 [0,0,0,0,0,2|2,0,0]=4 2302 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,0,0,0,0,2|1,0,0]=3 2303 B13R1.42 CCNC(=O)CSc1ccccc1 WXVL_AK00476SB0113 [0,0,0,0,0,2|1,0,0]=3 2304 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [0,0,0,0,0,2|2,0,0]=4 2305 B13R1.42 CCNC(=O)CSc1ccncc1 WXVL_AK00476SA0055 [0,0,0,0,0,2|2,0,0]=4 2306 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,0,0,0,0,2|2,0,0]=4 2307 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,0,0,0,0,2|2,0,0]=4 2308 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [0,0,0,0,0,2|2,0,0]=4 2309 B13R1.42 CSCC(=O)NCc1ccccc1 WXVL_AK00502SB1267 [0,0,0,0,0,2|2,0,0]=4