0 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 CNc1ccncn1 WXVL_AK00442LP3358 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 CNc1ncccn1 WXVL_AK00442LP0002 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.1 CCNc1ncc(cn1)Br WXVL_AK00476LQ1546 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.1 CCNc1ncc(cn1)Br WXVL_AK00476LQ1546 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.1 CCNc1ncc(cn1)C WXVL_AK00476LP0025 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.1 CCNc1ncc(cn1)C WXVL_AK00476LP0025 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.1 CCNc1ncc(cn1)F WXVL_AK00476LP0017 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.1 CCNc1ncc(cn1)F WXVL_AK00476LP0017 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.1 CCNc1ncc(cn1)I WXVL_AK00476LP3340 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.1 CCNc1ncc(cn1)I WXVL_AK00476LP3340 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.4 CCNc1ncncc1Br WXVL_AK00476LQ2111 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.4 CCNc1ncncc1Br WXVL_AK00476LQ2111 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.4 CCNc1ncncc1C WXVL_AK00476LP0053 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.4 CCNc1ncncc1C WXVL_AK00476LP0053 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.4 CCNc1ncncc1F WXVL_AK00476LP0435 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.4 CCNc1ncncc1F WXVL_AK00476LP0435 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.4 CCNc1ncncc1I WXVL_AK00476LP3348 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.4 CCNc1ncncc1I WXVL_AK00476LP3348 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.10 CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.10 CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.10 CCNc1ccnc(n1)Br WXVL_AK00476LQ4646 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.10 CCNc1ccnc(n1)Br WXVL_AK00476LQ4646 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.10 CCNc1ccnc(n1)C WXVL_AK00476LP0556 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.10 CCNc1ccnc(n1)C WXVL_AK00476LP0556 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.10 CCNc1nccc(n1)Br WXVL_AK00476LQ3192 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.10 CCNc1nccc(n1)Br WXVL_AK00476LQ3192 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.10 CCNc1nccc(n1)C WXVL_AK00476LP0007 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.10 CCNc1nccc(n1)C WXVL_AK00476LP0007 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.17 C=CCNc1ccncn1 WXVL_AK00561LP3358 [0,1,0,0,0,0|1,0,2]=4 45 B10R1.17 C=CCNc1ccncn1 WXVL_AK00561LP3358 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.17 C=CCNc1ncccn1 WXVL_AK00561LP0002 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.17 C=CCNc1ncccn1 WXVL_AK00561LP0002 [0,1,0,0,0,0|1,0,2]=4 48 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.17 N#CCNc1ccncn1 WXVL_AK0683LP3358 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.17 N#CCNc1ccncn1 WXVL_AK0683LP3358 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.17 N#CCNc1ncccn1 WXVL_AK0683LP0002 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.17 N#CCNc1ncccn1 WXVL_AK0683LP0002 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.18 CC(=O)Nc1ccccn1 WXVL_AF00298SB0150 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.18 CC(=O)Nc1cccnn1 WXVL_AF0151SB0150 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.18 CC(=O)Nc1cccnn1 WXVL_AF0151SB0150 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.18 CC(=O)Nc1ccncn1 WXVL_AF0139SB0150 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.18 CC(=O)Nc1ccncn1 WXVL_AF0139SB0150 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.18 CC(=O)Nc1cnccn1 WXVL_AF0120SB0150 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.18 CC(=O)Nc1cnccn1 WXVL_AF0120SB0150 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.18 NC(=O)Cc1ccccn1 WXVL_AK0084SA0032 [0,1,0,0,0,0|1,0,1]=3 78 B10R1.18 NC(=O)Cc1ncccn1 WXVL_AK0084SA0307 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.18 NC(=O)Cc1ncccn1 WXVL_AK0084SA0307 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,0,1,0,0,0|1,0,2]=4 81 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,0,1,0,0,0|1,0,2]=4 82 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,1,0,0,0|2,0,0]=4 83 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,1,0,0,0|2,0,0]=4 84 B9R1.1 CNc1ncc(cn1)Br WXVL_AK00442LQ1546 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.1 CNc1ncc(cn1)Br WXVL_AK00442LQ1546 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.1 CNc1ncc(cn1)C WXVL_AK00442LP0025 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.1 CNc1ncc(cn1)C WXVL_AK00442LP0025 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.1 CNc1ncc(cn1)F WXVL_AK00442LP0017 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.1 CNc1ncc(cn1)F WXVL_AK00442LP0017 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.1 CNc1ncc(cn1)I WXVL_AK00442LP3340 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.1 CNc1ncc(cn1)I WXVL_AK00442LP3340 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.2 CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.2 CNc1ccnc(n1)Br WXVL_AK00442LQ4646 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.2 CNc1ccnc(n1)Br WXVL_AK00442LQ4646 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.2 CNc1ccnc(n1)C WXVL_AK00442LP0556 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.2 CNc1nccc(n1)Br WXVL_AK00442LQ3192 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.2 CNc1nccc(n1)Br WXVL_AK00442LQ3192 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.2 CNc1nccc(n1)C WXVL_AK00442LP0007 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [1,1,0,0,0,0|1,0,1]=4 107 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [1,1,0,0,0,0|1,0,1]=4 108 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.15 CNc1ncncc1Br WXVL_AK00442LQ2111 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.15 CNc1ncncc1C WXVL_AK00442LP0053 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.15 CNc1ncncc1F WXVL_AK00442LP0435 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.15 CNc1ncncc1I WXVL_AK00442LP3348 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.1 CCCNc1ncc(cn1)Br WXVL_AK00504LQ1546 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.1 CCCNc1ncc(cn1)Br WXVL_AK00504LQ1546 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.1 CCCNc1ncc(cn1)C WXVL_AK00504LP0025 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.1 CCCNc1ncc(cn1)C WXVL_AK00504LP0025 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.1 CCCNc1ncc(cn1)F WXVL_AK00504LP0017 [0,2,0,0,0,0|1,0,0]=3 121 B11R1.1 CCCNc1ncc(cn1)F WXVL_AK00504LP0017 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.1 CCCNc1ncc(cn1)I WXVL_AK00504LP3340 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.1 CCCNc1ncc(cn1)I WXVL_AK00504LP3340 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.1 Cc1cnc(nc1)NCCF WXVL_AK00466LP0025 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.1 Cc1cnc(nc1)NCCF WXVL_AK00466LP0025 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.1 FCCNc1ncc(cn1)Br WXVL_AK00466LQ1546 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.1 FCCNc1ncc(cn1)Br WXVL_AK00466LQ1546 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.1 FCCNc1ncc(cn1)F WXVL_AK00466LP0017 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.1 FCCNc1ncc(cn1)F WXVL_AK00466LP0017 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.1 FCCNc1ncc(cn1)I WXVL_AK00466LP3340 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.1 FCCNc1ncc(cn1)I WXVL_AK00466LP3340 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.20 CC(=O)Nc1ccc(cn1)C WXVL_AF0018SB0150 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.20 CC(=O)Nc1ccc(cn1)C WXVL_AF0018SB0150 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.20 CC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB0150 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.20 CC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB0150 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.20 CC(=O)Nc1ccc(cn1)O WXVL_AF3250SB0150 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.20 CC(=O)Nc1ccc(cn1)O WXVL_AF3250SB0150 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.20 CC(C)Nc1ncc(cn1)Br WXVL_AK0030LQ1546 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.20 CC(C)Nc1ncc(cn1)Br WXVL_AK0030LQ1546 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.20 CC(C)Nc1ncc(cn1)F WXVL_AK0030LP0017 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.20 CC(C)Nc1ncc(cn1)F WXVL_AK0030LP0017 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.20 CC(C)Nc1ncc(cn1)I WXVL_AK0030LP3340 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.20 CC(C)Nc1ncc(cn1)I WXVL_AK0030LP3340 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.20 Cc1cnc(nc1)NC(C)C WXVL_AK0030LP0025 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.20 Cc1cnc(nc1)NC(C)C WXVL_AK0030LP0025 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.20 NC(=O)Cc1ccc(cn1)Br WXVL_AK0084SA0212 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.20 NC(=O)Cc1ccc(cn1)Br WXVL_AK0084SA0212 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.20 NC(=O)Cc1ccc(cn1)Cl WXVL_AK0084SA0537 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.20 NC(=O)Cc1ccc(cn1)Cl WXVL_AK0084SA0537 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.20 NC(=O)Cc1ccc(cn1)F WXVL_AK0084SA0011 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.20 NC(=O)Cc1ccc(cn1)F WXVL_AK0084SA0011 [0,2,0,0,0,0|1,0,1]=4 152 B11R1.20 NC(=O)Cc1ccc(cn1)O WXVL_AK0084SA2976 [0,2,0,0,0,0|1,0,1]=4 153 B11R1.20 NC(=O)Cc1ccc(cn1)O WXVL_AK0084SA2976 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.22 CNC(=O)c1ccc(cn1)Br WXVL_AK00442SC0363 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.22 CNC(=O)c1ccc(cn1)Br WXVL_AK00442SC0363 [0,2,0,0,0,0|1,0,1]=4 156 B11R1.22 CNC(=O)c1ccc(cn1)C WXVL_AK00442SC0104 [0,2,0,0,0,0|1,0,1]=4 157 B11R1.22 CNC(=O)c1ccc(cn1)C WXVL_AK00442SC0104 [0,2,0,0,0,0|1,0,1]=4 158 B11R1.22 CNC(=O)c1ccc(cn1)Cl WXVL_AK00442SC0381 [0,2,0,0,0,0|1,0,1]=4 159 B11R1.22 CNC(=O)c1ccc(cn1)Cl WXVL_AK00442SC0381 [0,2,0,0,0,0|1,0,1]=4 160 B11R1.22 CNC(=O)c1ccc(cn1)F WXVL_AK00442SC0114 [0,2,0,0,0,0|1,0,1]=4 161 B11R1.22 CNC(=O)c1ccc(cn1)F WXVL_AK00442SC0114 [0,2,0,0,0,0|1,0,1]=4 162 B11R1.22 CNC(=O)c1ccc(cn1)O WXVL_AK00442SC0130 [0,2,0,0,0,0|1,0,1]=4 163 B11R1.22 CNC(=O)c1ccc(cn1)O WXVL_AK00442SC0130 [0,2,0,0,0,0|1,0,1]=4 164 B11R1.83 CCNc1ncc(cn1)CC WXVL_AK00476LP0202 [0,2,0,0,0,0|2,0,0]=4 165 B11R1.83 CCNc1ncc(cn1)CC WXVL_AK00476LP0202 [0,2,0,0,0,0|2,0,0]=4 166 B11R1.83 CCNc1ncc(cn1)OC WXVL_AK00476LP0195 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.83 CCNc1ncc(cn1)OC WXVL_AK00476LP0195 [0,2,0,0,0,0|2,0,0]=4 168 B11R1.83 CCNc1ncc(cn1)SC WXVL_AK00476LP1533 [0,2,0,0,0,0|2,0,0]=4 169 B11R1.83 CCNc1ncc(cn1)SC WXVL_AK00476LP1533 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.192 CCNc1ncc(c(n1)C)Br WXVL_AK00476LQ2229 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.192 CCNc1ncc(c(n1)C)Br WXVL_AK00476LQ2229 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.192 CCNc1ncc(c(n1)C)C WXVL_AK00476LP2969 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.192 CCNc1ncc(c(n1)C)C WXVL_AK00476LP2969 [0,2,0,0,0,0|2,0,0]=4 174 B11R1.192 CCNc1ncc(c(n1)C)F WXVL_AK00476LP0995 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.192 CCNc1ncc(c(n1)C)F WXVL_AK00476LP0995 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.13 CCNc1ncnc(c1Br)C WXVL_AK00476LQ2336 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.13 CCNc1ncnc(c1Br)C WXVL_AK00476LQ2336 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.17 CCCNc1ncncc1C WXVL_AK00504LP0053 [0,2,0,0,0,0|1,0,0]=3 181 B11R1.17 CCCNc1ncncc1C WXVL_AK00504LP0053 [0,2,0,0,0,0|1,0,0]=3 182 B11R1.17 CCCNc1ncncc1F WXVL_AK00504LP0435 [0,2,0,0,0,0|1,0,0]=3 183 B11R1.17 CCCNc1ncncc1F WXVL_AK00504LP0435 [0,2,0,0,0,0|1,0,0]=3 184 B11R1.17 CCCNc1ncncc1I WXVL_AK00504LP3348 [0,2,0,0,0,0|1,0,0]=3 185 B11R1.17 CCCNc1ncncc1I WXVL_AK00504LP3348 [0,2,0,0,0,0|1,0,0]=3 186 B11R1.17 Cc1cncnc1NCCF WXVL_AK00466LP0053 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.17 Cc1cncnc1NCCF WXVL_AK00466LP0053 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.17 FCCNc1ncncc1Br WXVL_AK00466LQ2111 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.17 FCCNc1ncncc1Br WXVL_AK00466LQ2111 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.17 FCCNc1ncncc1F WXVL_AK00466LP0435 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.17 FCCNc1ncncc1F WXVL_AK00466LP0435 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.17 FCCNc1ncncc1I WXVL_AK00466LP3348 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.17 FCCNc1ncncc1I WXVL_AK00466LP3348 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.41 CCNc1ncncc1C#N WXVL_AK00476LP1249 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.41 CCNc1ncncc1C#N WXVL_AK00476LP1249 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.41 CCNc1ncncc1OC WXVL_AK00476LP0652 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.41 CCNc1ncncc1OC WXVL_AK00476LP0652 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.86 CC(=O)Nc1ncccc1Br WXVL_AF0053SB0150 [0,2,0,0,0,0|1,0,1]=4 199 B11R1.86 CC(=O)Nc1ncccc1Br WXVL_AF0053SB0150 [0,2,0,0,0,0|1,0,1]=4 200 B11R1.86 CC(=O)Nc1ncccc1C WXVL_AF0013SB0150 [0,2,0,0,0,0|1,0,1]=4 201 B11R1.86 CC(=O)Nc1ncccc1C WXVL_AF0013SB0150 [0,2,0,0,0,0|1,0,1]=4 202 B11R1.86 CC(=O)Nc1ncccc1Cl WXVL_AF1147SB0150 [0,2,0,0,0,0|1,0,1]=4 203 B11R1.86 CC(=O)Nc1ncccc1Cl WXVL_AF1147SB0150 [0,2,0,0,0,0|1,0,1]=4 204 B11R1.86 CC(=O)Nc1ncccc1F WXVL_AF0321SB0150 [0,2,0,0,0,0|1,0,1]=4 205 B11R1.86 CC(=O)Nc1ncccc1F WXVL_AF0321SB0150 [0,2,0,0,0,0|1,0,1]=4 206 B11R1.86 CC(=O)Nc1ncccc1I WXVL_AF0298SB0150 [0,2,0,0,0,0|1,0,1]=4 207 B11R1.86 CC(=O)Nc1ncccc1I WXVL_AF0298SB0150 [0,2,0,0,0,0|1,0,1]=4 208 B11R1.86 CC(=O)Nc1ncccc1O WXVL_AF0347SB0150 [0,2,0,0,0,0|1,0,1]=4 209 B11R1.86 CC(=O)Nc1ncccc1O WXVL_AF0347SB0150 [0,2,0,0,0,0|1,0,1]=4 210 B11R1.86 CC(C)Nc1ncncc1Br WXVL_AK0030LQ2111 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.86 CC(C)Nc1ncncc1Br WXVL_AK0030LQ2111 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.86 CC(C)Nc1ncncc1F WXVL_AK0030LP0435 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.86 CC(C)Nc1ncncc1F WXVL_AK0030LP0435 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.86 CC(C)Nc1ncncc1I WXVL_AK0030LP3348 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.86 CC(C)Nc1ncncc1I WXVL_AK0030LP3348 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.86 Cc1cncnc1NC(C)C WXVL_AK0030LP0053 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.86 Cc1cncnc1NC(C)C WXVL_AK0030LP0053 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.182 CCNc1nc(ncc1Br)C WXVL_AK00476LQ3479 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.182 CCNc1nc(ncc1Br)C WXVL_AK00476LQ3479 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.182 CCNc1nc(ncc1F)C WXVL_AK00476LP0581 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.182 CCNc1nc(ncc1F)C WXVL_AK00476LP0581 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.222 CNC(=O)c1ncccc1Br WXVL_AK00442SC0501 [0,2,0,0,0,0|1,0,1]=4 223 B11R1.222 CNC(=O)c1ncccc1Br WXVL_AK00442SC0501 [0,2,0,0,0,0|1,0,1]=4 224 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [0,2,0,0,0,0|1,0,1]=4 225 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [0,2,0,0,0,0|1,0,1]=4 226 B11R1.222 CNC(=O)c1ncccc1Cl WXVL_AK00442SC0609 [0,2,0,0,0,0|1,0,1]=4 227 B11R1.222 CNC(=O)c1ncccc1Cl WXVL_AK00442SC0609 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.222 CNC(=O)c1ncccc1F WXVL_AK00442SC0773 [0,2,0,0,0,0|1,0,1]=4 229 B11R1.222 CNC(=O)c1ncccc1F WXVL_AK00442SC0773 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.23 CNC(=O)c1cc(ccn1)Br WXVL_AK00442SC0243 [0,2,0,0,0,0|1,0,1]=4 231 B11R1.23 CNC(=O)c1cc(ccn1)Br WXVL_AK00442SC0243 [0,2,0,0,0,0|1,0,1]=4 232 B11R1.23 CNC(=O)c1cc(ccn1)C WXVL_AK00442SC0235 [0,2,0,0,0,0|1,0,1]=4 233 B11R1.23 CNC(=O)c1cc(ccn1)C WXVL_AK00442SC0235 [0,2,0,0,0,0|1,0,1]=4 234 B11R1.23 CNC(=O)c1cc(ccn1)Cl WXVL_AK00442SC0373 [0,2,0,0,0,0|1,0,1]=4 235 B11R1.23 CNC(=O)c1cc(ccn1)Cl WXVL_AK00442SC0373 [0,2,0,0,0,0|1,0,1]=4 236 B11R1.23 CNC(=O)c1cccc(n1)Br WXVL_AK00442SC0366 [0,2,0,0,0,0|1,0,1]=4 237 B11R1.23 CNC(=O)c1cccc(n1)Br WXVL_AK00442SC0366 [0,2,0,0,0,0|1,0,1]=4 238 B11R1.23 CNC(=O)c1cccc(n1)F WXVL_AK00442SC0386 [0,2,0,0,0,0|1,0,1]=4 239 B11R1.23 CNC(=O)c1cccc(n1)F WXVL_AK00442SC0386 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.23 CNC(=O)c1cccc(n1)O WXVL_AK00442SC0084 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.23 CNC(=O)c1cccc(n1)O WXVL_AK00442SC0084 [0,2,0,0,0,0|1,0,1]=4 242 B11R1.24 CCCNc1cc(ncn1)C WXVL_AK00504LP0109 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.24 CCCNc1cc(ncn1)C WXVL_AK00504LP0109 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.24 CCCNc1ccnc(n1)Br WXVL_AK00504LQ4646 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.24 CCCNc1ccnc(n1)Br WXVL_AK00504LQ4646 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.24 CCCNc1ccnc(n1)C WXVL_AK00504LP0556 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.24 CCCNc1ccnc(n1)C WXVL_AK00504LP0556 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.24 CCCNc1nccc(n1)Br WXVL_AK00504LQ3192 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.24 CCCNc1nccc(n1)Br WXVL_AK00504LQ3192 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.24 CCCNc1nccc(n1)C WXVL_AK00504LP0007 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.24 CCCNc1nccc(n1)C WXVL_AK00504LP0007 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.24 Cc1cc(ncn1)NCCF WXVL_AK00466LP0109 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.24 Cc1cc(ncn1)NCCF WXVL_AK00466LP0109 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.24 Cc1ccnc(n1)NCCF WXVL_AK00466LP0007 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.24 Cc1ccnc(n1)NCCF WXVL_AK00466LP0007 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.24 Cc1nccc(n1)NCCF WXVL_AK00466LP0556 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.24 Cc1nccc(n1)NCCF WXVL_AK00466LP0556 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.24 FCCNc1ccnc(n1)Br WXVL_AK00466LQ4646 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.24 FCCNc1ccnc(n1)Br WXVL_AK00466LQ4646 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.24 FCCNc1nccc(n1)Br WXVL_AK00466LQ3192 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.24 FCCNc1nccc(n1)Br WXVL_AK00466LQ3192 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.34 CCNc1cc(nc(n1)C)C WXVL_AK00476LP0261 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.34 CCNc1cc(nc(n1)C)C WXVL_AK00476LP0261 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.34 CCNc1nc(cc(n1)C)C WXVL_AK00476LP0127 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.34 CCNc1nc(cc(n1)C)C WXVL_AK00476LP0127 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.157 CC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB0150 [0,2,0,0,0,0|1,0,1]=4 267 B11R1.157 CC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB0150 [0,2,0,0,0,0|1,0,1]=4 268 B11R1.157 CC(=O)Nc1cc(ccn1)F WXVL_AF0152SB0150 [0,2,0,0,0,0|1,0,1]=4 269 B11R1.157 CC(=O)Nc1cc(ccn1)F WXVL_AF0152SB0150 [0,2,0,0,0,0|1,0,1]=4 270 B11R1.157 CC(=O)Nc1cc(ccn1)O WXVL_AF3303SB0150 [0,2,0,0,0,0|1,0,1]=4 271 B11R1.157 CC(=O)Nc1cc(ccn1)O WXVL_AF3303SB0150 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.157 CC(=O)Nc1cccc(n1)Br WXVL_AF0038SB0150 [0,2,0,0,0,0|1,0,1]=4 273 B11R1.157 CC(=O)Nc1cccc(n1)Br WXVL_AF0038SB0150 [0,2,0,0,0,0|1,0,1]=4 274 B11R1.157 CC(=O)Nc1cccc(n1)C WXVL_AF0019SB0150 [0,2,0,0,0,0|1,0,1]=4 275 B11R1.157 CC(=O)Nc1cccc(n1)C WXVL_AF0019SB0150 [0,2,0,0,0,0|1,0,1]=4 276 B11R1.157 CC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB0150 [0,2,0,0,0,0|1,0,1]=4 277 B11R1.157 CC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB0150 [0,2,0,0,0,0|1,0,1]=4 278 B11R1.157 CC(=O)Nc1cccc(n1)F WXVL_AF0307SB0150 [0,2,0,0,0,0|1,0,1]=4 279 B11R1.157 CC(=O)Nc1cccc(n1)F WXVL_AF0307SB0150 [0,2,0,0,0,0|1,0,1]=4 280 B11R1.157 CC(=O)Nc1cccc(n1)I WXVL_AF0430SB0150 [0,2,0,0,0,0|1,0,1]=4 281 B11R1.157 CC(=O)Nc1cccc(n1)I WXVL_AF0430SB0150 [0,2,0,0,0,0|1,0,1]=4 282 B11R1.157 CC(=O)Nc1cccc(n1)O WXVL_AF2469SB0150 [0,2,0,0,0,0|1,0,1]=4 283 B11R1.157 CC(=O)Nc1cccc(n1)O WXVL_AF2469SB0150 [0,2,0,0,0,0|1,0,1]=4 284 B11R1.157 CC(C)Nc1ccnc(n1)Br WXVL_AK0030LQ4646 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.157 CC(C)Nc1ccnc(n1)Br WXVL_AK0030LQ4646 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.157 CC(C)Nc1nccc(n1)Br WXVL_AK0030LQ3192 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.157 CC(C)Nc1nccc(n1)Br WXVL_AK0030LQ3192 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.157 Cc1cc(ncn1)NC(C)C WXVL_AK0030LP0109 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.157 Cc1cc(ncn1)NC(C)C WXVL_AK0030LP0109 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.157 Cc1cccc(n1)CC(=O)N WXVL_AK0084SA0399 [0,2,0,0,0,0|1,0,1]=4 291 B11R1.157 Cc1cccc(n1)CC(=O)N WXVL_AK0084SA0399 [0,2,0,0,0,0|1,0,1]=4 292 B11R1.157 Cc1ccnc(n1)NC(C)C WXVL_AK0030LP0007 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.157 Cc1ccnc(n1)NC(C)C WXVL_AK0030LP0007 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.157 Cc1nccc(n1)NC(C)C WXVL_AK0030LP0556 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.157 Cc1nccc(n1)NC(C)C WXVL_AK0030LP0556 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.157 NC(=O)Cc1cccc(n1)Cl WXVL_AK0084SA0313 [0,2,0,0,0,0|1,0,1]=4 297 B11R1.157 NC(=O)Cc1cccc(n1)Cl WXVL_AK0084SA0313 [0,2,0,0,0,0|1,0,1]=4 298 B11R1.189 CCNc1cc(ncn1)C#N WXVL_AK00476LP1065 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.189 CCNc1cc(ncn1)C#N WXVL_AK00476LP1065 [0,2,0,0,0,0|2,0,0]=4 300 B11R1.189 CCNc1cc(ncn1)OC WXVL_AK00476LP0072 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.189 CCNc1cc(ncn1)OC WXVL_AK00476LP0072 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.189 CCNc1cc(ncn1)SC WXVL_AK00476LP0441 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.189 CCNc1cc(ncn1)SC WXVL_AK00476LP0441 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.189 CCNc1ccnc(n1)OC WXVL_AK00476LP0547 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.189 CCNc1ccnc(n1)OC WXVL_AK00476LP0547 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.189 CCNc1ccnc(n1)SC WXVL_AK00476LP0197 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.189 CCNc1ccnc(n1)SC WXVL_AK00476LP0197 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.189 CCNc1nccc(n1)C#N WXVL_AK00476LP0319 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.189 CCNc1nccc(n1)C#N WXVL_AK00476LP0319 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.189 CCNc1nccc(n1)OC WXVL_AK00476LP0232 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.189 CCNc1nccc(n1)OC WXVL_AK00476LP0232 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.189 CCOc1ccnc(n1)NC WXVL_AK00442LP0863 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.189 CCOc1ccnc(n1)NC WXVL_AK00442LP0863 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.189 CNc1cc(ncn1)COC WXVL_AK00442LP0867 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.189 CNc1cc(ncn1)COC WXVL_AK00442LP0867 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.7 CNS(=O)(=O)c1ccccn1 WXVL_AK00442HU0098 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.7 CNS(=O)(=O)c1ccccn1 WXVL_AK00442HU0098 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.12 CCN(CC)c1ccncn1 WXVL_AN0042LP3358 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.12 CCN(CC)c1ccncn1 WXVL_AN0042LP3358 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.12 CCN(CC)c1ncccn1 WXVL_AN0042LP0002 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.12 CCN(CC)c1ncccn1 WXVL_AN0042LP0002 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,2,0,0,0,0|0,0,1]=3 325 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,2,0,0,0,0|0,0,1]=3 326 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,2,0,0,0,0|1,0,1]=4 329 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,2,0,0,0,0|1,0,1]=4 331 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,2,0,0,0,0|1,0,1]=4 332 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.28 C#CCCNc1ccncn1 WXVL_AK3109LP3358 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.28 C#CCCNc1ccncn1 WXVL_AK3109LP3358 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.28 C#CCCNc1ncccn1 WXVL_AK3109LP0002 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.28 C#CCCNc1ncccn1 WXVL_AK3109LP0002 [0,2,0,0,0,0|1,0,1]=4 346 B11R1.28 C=CCCNc1ccncn1 WXVL_AK00138LP3358 [0,2,0,0,0,0|1,0,1]=4 347 B11R1.28 C=CCCNc1ccncn1 WXVL_AK00138LP3358 [0,2,0,0,0,0|1,0,1]=4 348 B11R1.28 C=CCCNc1ncccn1 WXVL_AK00138LP0002 [0,2,0,0,0,0|1,0,1]=4 349 B11R1.28 C=CCCNc1ncccn1 WXVL_AK00138LP0002 [0,2,0,0,0,0|1,0,1]=4 350 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,2,0,0,0,0|1,0,0]=3 351 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,2,0,0,0,0|1,0,0]=3 352 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,2,0,0,0,0|1,0,0]=3 353 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,2,0,0,0,0|1,0,0]=3 354 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,2,0,0,0,0|1,0,0]=3 355 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,2,0,0,0,0|1,0,0]=3 356 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.28 N#CCCNc1ccncn1 WXVL_AK0087LP3358 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.28 N#CCCNc1ccncn1 WXVL_AK0087LP3358 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.28 N#CCCNc1ncccn1 WXVL_AK0087LP0002 [0,2,0,0,0,0|1,0,1]=4 361 B11R1.28 N#CCCNc1ncccn1 WXVL_AK0087LP0002 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,2,0,0,0,0|1,0,0]=3 364 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,2,0,0,0,0|1,0,0]=3 365 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,2,0,0,0,0|1,0,0]=3 366 B11R1.40 C#C[C@@H](C)Nc1ccncn1 WXVL_AK00735LP3358 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.40 C#C[C@@H](C)Nc1ccncn1 WXVL_AK00735LP3358 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.40 C#C[C@@H](C)Nc1ncccn1 WXVL_AK00735LP0002 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.40 C#C[C@@H](C)Nc1ncccn1 WXVL_AK00735LP0002 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.40 C=CC(C)Nc1ccncn1 WXVL_AK00769LP3358 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.40 C=CC(C)Nc1ccncn1 WXVL_AK00769LP3358 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.40 C=CC(C)Nc1ncccn1 WXVL_AK00769LP0002 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.40 C=CC(C)Nc1ncccn1 WXVL_AK00769LP0002 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.40 CC(C#N)Nc1ccncn1 WXVL_AK00810LP3358 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.40 CC(C#N)Nc1ccncn1 WXVL_AK00810LP3358 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.40 CC(C#N)Nc1ncccn1 WXVL_AK00810LP0002 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.40 CC(C#N)Nc1ncccn1 WXVL_AK00810LP0002 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,2,0,0,0,0|0,0,1]=3 381 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,2,0,0,0,0|0,0,1]=3 382 B11R1.40 CCC(=O)Nc1cccnn1 WXVL_AF0151SB0064 [0,2,0,0,0,0|1,0,1]=4 383 B11R1.40 CCC(=O)Nc1cccnn1 WXVL_AF0151SB0064 [0,2,0,0,0,0|1,0,1]=4 384 B11R1.40 CCC(=O)Nc1ccncn1 WXVL_AF0139SB0064 [0,2,0,0,0,0|1,0,1]=4 385 B11R1.40 CCC(=O)Nc1ccncn1 WXVL_AF0139SB0064 [0,2,0,0,0,0|1,0,1]=4 386 B11R1.40 CCC(=O)Nc1cnccn1 WXVL_AF0120SB0064 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.40 CCC(=O)Nc1cnccn1 WXVL_AF0120SB0064 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,2,0,0,0,0|1,0,1]=4 393 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,2,0,0,0,0|0,0,1]=3 395 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,2,0,0,0,0|0,0,1]=3 396 B11R1.40 CNC(=O)Cc1ncccn1 WXVL_AK00442SA0307 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.40 CNC(=O)Cc1ncccn1 WXVL_AK00442SA0307 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.40 CNC(=O)Nc1ccccn1 WXVL_AK00442YV0189 [0,2,0,0,0,0|1,0,1]=4 399 B11R1.40 CNC(=O)Nc1ccccn1 WXVL_AK00442YV0189 [0,2,0,0,0,0|1,0,1]=4 400 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.91 C=C(C)CNc1ccncn1 WXVL_AK0761LP3358 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.91 C=C(C)CNc1ccncn1 WXVL_AK0761LP3358 [0,2,0,0,0,0|1,0,1]=4 412 B11R1.91 C=C(C)CNc1ncccn1 WXVL_AK0761LP0002 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.91 C=C(C)CNc1ncccn1 WXVL_AK0761LP0002 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,2,0,0,0,0|0,0,1]=3 417 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [0,2,0,0,0,0|0,0,1]=3 418 B11R1.91 CC(=O)NCc1ccncn1 WXVL_AK1356SB0150 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.91 CC(=O)NCc1ccncn1 WXVL_AK1356SB0150 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.91 CC(=O)NCc1cnccn1 WXVL_AK00262SB0150 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.91 CC(=O)NCc1ncccn1 WXVL_AK0279SB0150 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.91 CC(=O)NCc1ncccn1 WXVL_AK0279SB0150 [0,2,0,0,0,0|1,0,1]=4 424 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.91 FC(F)CNc1ccncn1 WXVL_AK0136LP3358 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.91 FC(F)CNc1ccncn1 WXVL_AK0136LP3358 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.91 FC(F)CNc1ncccn1 WXVL_AK0136LP0002 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.91 FC(F)CNc1ncccn1 WXVL_AK0136LP0002 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,2,0,0,0,0|1,0,1]=4 441 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,2,0,0,0,0|1,0,1]=4 442 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [0,2,0,0,0,0|0,0,1]=3 443 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [0,2,0,0,0,0|0,0,1]=3 444 B11R1.91 NC(=O)CCc1cnccn1 WXVL_AK0084SA2354 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.91 NC(=O)CCc1cnccn1 WXVL_AK0084SA2354 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,2,0,0,0,0|2,0,0]=4 450 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,1,0,1,0,0|1,0,0]=3 451 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,1,0,1,0,0|1,0,0]=3 452 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,1,0,1,0,0|1,0,0]=3 453 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,1,0,1,0,0|1,0,0]=3