0 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [0,1,0,0,0,0|0,0,1]=2 21 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [0,1,0,0,0,0|0,0,1]=2 22 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SA0029 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SA0029 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SB00049 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.18 NC(=O)Cc1cccnc1 WXVL_AK0084SB00049 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.18 NC(=O)Cc1ccncc1 WXVL_AK0084SA00106 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.18 NC(=O)Cc1ccncc1 WXVL_AK0084SA00106 [0,1,0,0,0,0|1,0,1]=3 30 B10R1.18 NC(=O)Cc1cncnc1 WXVL_AK0084SA0242 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.18 NC(=O)Cc1cncnc1 WXVL_AK0084SA0242 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.18 NC(=O)Cc1ncccn1 WXVL_AK0084SA0307 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.18 NC(=O)Cc1ncccn1 WXVL_AK0084SA0307 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,1,0,0,0,0|0,0,1]=3 35 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [1,1,0,0,0,0|1,0,1]=4 39 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,1,0,0,1,0|1,0,1]=4 43 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,1,0,0,1,0|1,0,1]=4 44 B9R1.13 NC(=O)Cc1ccsc1 WXVL_AK0084SA0020 [0,1,0,0,1,0|1,0,1]=4 45 B9R1.13 NC(=O)Cc1ccsc1 WXVL_AK0084SA0020 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.20 Cc1ccc(cc1)CC(=O)N WXVL_AK0084SB0112 [0,2,0,0,0,0|0,0,1]=3 47 B11R1.20 Cc1ccc(cc1)CC(=O)N WXVL_AK0084SB0112 [0,2,0,0,0,0|0,0,1]=3 48 B11R1.20 Cc1ccc(cn1)CC(=O)N WXVL_AK0084SA0250 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.20 Cc1ccc(cn1)CC(=O)N WXVL_AK0084SA0250 [0,2,0,0,0,0|1,0,1]=4 50 B11R1.20 NC(=O)Cc1ccc(cc1)Br WXVL_AK0084SB0926 [0,2,0,0,0,0|0,0,1]=3 51 B11R1.20 NC(=O)Cc1ccc(cc1)Br WXVL_AK0084SB0926 [0,2,0,0,0,0|0,0,1]=3 52 B11R1.20 NC(=O)Cc1ccc(cc1)Cl WXVL_AK0084SB0107 [0,2,0,0,0,0|0,0,1]=3 53 B11R1.20 NC(=O)Cc1ccc(cc1)Cl WXVL_AK0084SB0107 [0,2,0,0,0,0|0,0,1]=3 54 B11R1.20 NC(=O)Cc1ccc(cc1)F WXVL_AK0084SB0106 [0,2,0,0,0,0|0,0,1]=3 55 B11R1.20 NC(=O)Cc1ccc(cc1)F WXVL_AK0084SB0106 [0,2,0,0,0,0|0,0,1]=3 56 B11R1.20 NC(=O)Cc1ccc(cc1)O WXVL_AK0084SB0110 [0,2,0,0,0,0|0,0,1]=3 57 B11R1.20 NC(=O)Cc1ccc(cc1)O WXVL_AK0084SB0110 [0,2,0,0,0,0|0,0,1]=3 58 B11R1.20 NC(=O)Cc1ccc(cn1)Br WXVL_AK0084SA0212 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.20 NC(=O)Cc1ccc(cn1)Br WXVL_AK0084SA0212 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.20 NC(=O)Cc1ccc(cn1)Cl WXVL_AK0084SA0537 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.20 NC(=O)Cc1ccc(cn1)Cl WXVL_AK0084SA0537 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.20 NC(=O)Cc1ccc(cn1)F WXVL_AK0084SA0011 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.20 NC(=O)Cc1ccc(cn1)F WXVL_AK0084SA0011 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.20 NC(=O)Cc1ccc(cn1)O WXVL_AK0084SA2976 [0,2,0,0,0,0|1,0,1]=4 65 B11R1.20 NC(=O)Cc1ccc(cn1)O WXVL_AK0084SA2976 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.20 NC(=O)Cc1ccc(nc1)Br WXVL_AK0084SA00056 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.20 NC(=O)Cc1ccc(nc1)Br WXVL_AK0084SA00056 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.86 Cc1ccccc1CC(=O)N WXVL_AK0084SB0098 [0,2,0,0,0,0|0,0,1]=3 69 B11R1.86 Cc1ccccc1CC(=O)N WXVL_AK0084SB0098 [0,2,0,0,0,0|0,0,1]=3 70 B11R1.86 NC(=O)Cc1ccccc1Br WXVL_AK0084SB0093 [0,2,0,0,0,0|0,0,1]=3 71 B11R1.86 NC(=O)Cc1ccccc1Br WXVL_AK0084SB0093 [0,2,0,0,0,0|0,0,1]=3 72 B11R1.86 NC(=O)Cc1ccccc1Cl WXVL_AK0084SB0095 [0,2,0,0,0,0|0,0,1]=3 73 B11R1.86 NC(=O)Cc1ccccc1Cl WXVL_AK0084SB0095 [0,2,0,0,0,0|0,0,1]=3 74 B11R1.86 NC(=O)Cc1ccccc1F WXVL_AK0084SB0094 [0,2,0,0,0,0|0,0,1]=3 75 B11R1.86 NC(=O)Cc1ccccc1F WXVL_AK0084SB0094 [0,2,0,0,0,0|0,0,1]=3 76 B11R1.86 NC(=O)Cc1ccccc1I WXVL_AK0084SB1145 [0,2,0,0,0,0|0,0,1]=3 77 B11R1.86 NC(=O)Cc1ccccc1I WXVL_AK0084SB1145 [0,2,0,0,0,0|0,0,1]=3 78 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,2,0,0,0,0|0,0,1]=3 79 B11R1.86 NC(=O)Cc1ccccc1O WXVL_AK0084SB0400 [0,2,0,0,0,0|0,0,1]=3 80 B11R1.86 NC(=O)Cc1cccnc1Cl WXVL_AK0084SA0056 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.86 NC(=O)Cc1cccnc1Cl WXVL_AK0084SA0056 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.157 Cc1cccc(c1)CC(=O)N WXVL_AK0084SB0105 [0,2,0,0,0,0|0,0,1]=3 83 B11R1.157 Cc1cccc(c1)CC(=O)N WXVL_AK0084SB0105 [0,2,0,0,0,0|0,0,1]=3 84 B11R1.157 Cc1cccc(n1)CC(=O)N WXVL_AK0084SA0399 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.157 Cc1cccc(n1)CC(=O)N WXVL_AK0084SA0399 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.157 NC(=O)Cc1cccc(c1)Br WXVL_AK0084SB0099 [0,2,0,0,0,0|0,0,1]=3 87 B11R1.157 NC(=O)Cc1cccc(c1)Br WXVL_AK0084SB0099 [0,2,0,0,0,0|0,0,1]=3 88 B11R1.157 NC(=O)Cc1cccc(c1)Cl WXVL_AK0084SB0101 [0,2,0,0,0,0|0,0,1]=3 89 B11R1.157 NC(=O)Cc1cccc(c1)Cl WXVL_AK0084SB0101 [0,2,0,0,0,0|0,0,1]=3 90 B11R1.157 NC(=O)Cc1cccc(c1)F WXVL_AK0084SB0100 [0,2,0,0,0,0|0,0,1]=3 91 B11R1.157 NC(=O)Cc1cccc(c1)F WXVL_AK0084SB0100 [0,2,0,0,0,0|0,0,1]=3 92 B11R1.157 NC(=O)Cc1cccc(c1)O WXVL_AK0084SB0104 [0,2,0,0,0,0|0,0,1]=3 93 B11R1.157 NC(=O)Cc1cccc(c1)O WXVL_AK0084SB0104 [0,2,0,0,0,0|0,0,1]=3 94 B11R1.157 NC(=O)Cc1cccc(n1)Cl WXVL_AK0084SA0313 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.157 NC(=O)Cc1cccc(n1)Cl WXVL_AK0084SA0313 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.157 NC(=O)Cc1ccnc(c1)Br WXVL_AK0084SA0520 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.157 NC(=O)Cc1ccnc(c1)Br WXVL_AK0084SA0520 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.36 CC(C(=O)N)c1ccccc1 WXVL_AK0084SB2326 [0,2,0,0,0,0|0,0,1]=3 101 B11R1.36 CC(C(=O)N)c1ccccc1 WXVL_AK0084SB2326 [0,2,0,0,0,0|0,0,1]=3 102 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [0,2,0,0,0,0|0,0,2]=4 103 B11R1.36 NC(=O)C(=O)c1ccccc1 WXVL_AK0084SB0050 [0,2,0,0,0,0|0,0,2]=4 104 B11R1.36 NC(=O)C(O)c1ccccc1 WXVL_AK0084SB0168 [0,2,0,0,0,0|0,0,1]=3 105 B11R1.36 NC(=O)C(O)c1ccccc1 WXVL_AK0084SB0168 [0,2,0,0,0,0|0,0,1]=3 106 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,2,0,0,0,0|0,0,1]=3 109 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,2,0,0,0,0|0,0,1]=3 110 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,2,0,0,0,0|1,0,1]=4 113 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,2,0,0,0,0|1,0,1]=4 114 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,2,0,0,0,0|0,0,2]=4 123 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,2,0,0,0,0|0,0,2]=4 124 B11R1.91 NC(=O)C#Cc1ccccc1 WXVL_AK0084SB0114 [0,2,0,0,0,0|0,0,2]=4 125 B11R1.91 NC(=O)C#Cc1ccccc1 WXVL_AK0084SB0114 [0,2,0,0,0,0|0,0,2]=4 126 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,2,0,0,0,0|0,0,0]=2 127 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,2,0,0,0,0|0,0,0]=2 128 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.91 NC(=O)CCc1cccnc1 WXVL_AK0084SA0031 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.91 NC(=O)CCc1cccnc1 WXVL_AK0084SA0031 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.91 NC(=O)CCc1cnccn1 WXVL_AK0084SA2354 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.91 NC(=O)CCc1cnccn1 WXVL_AK0084SA2354 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.91 NC(=O)CCc1cncnc1 WXVL_AK0084SA0013 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.91 NC(=O)CCc1cncnc1 WXVL_AK0084SA0013 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,2,0,0,0,0|0,0,1]=3 137 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,2,0,0,0,0|0,0,1]=3 138 B11R1.91 NC(=O)COc1cccnc1 WXVL_AK0084SA0051 [0,2,0,0,0,0|1,0,1]=4 139 B11R1.91 NC(=O)COc1cccnc1 WXVL_AK0084SA0051 [0,2,0,0,0,0|1,0,1]=4 140 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,2,0,0,0,0|0,0,1]=3 141 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,2,0,0,0,0|0,0,1]=3 142 B11R1.91 NC(=O)CSc1ccncc1 WXVL_AK0084SA0055 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.91 NC(=O)CSc1ccncc1 WXVL_AK0084SA0055 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.509 NS(=O)(=O)Cc1ccccc1 WXVL_AK0084HU0025 [0,2,0,0,0,0|1,0,0]=3 145 B11R1.509 NS(=O)(=O)Cc1ccccc1 WXVL_AK0084HU0025 [0,2,0,0,0,0|1,0,0]=3