0 B14R2.6 c1ccc(cc1)Nc2ccncn2 WXVL_AG00183LP3358 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.6 c1ccc(cc1)Nc2ccncn2 WXVL_AG00183LP3358 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.6 c1ccc(cc1)Nc2ncccn2 WXVL_AG00183LP0002 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.6 c1ccc(cc1)Nc2ncccn2 WXVL_AG00183LP0002 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.6 c1ccc(nc1)Nc2ccncn2 WXVL_AF00298LP3358 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.6 c1ccc(nc1)Nc2ccncn2 WXVL_AF00298LP3358 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.6 c1ccc(nc1)Nc2ncccn2 WXVL_AF00298LP0002 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.6 c1ccc(nc1)Nc2ncccn2 WXVL_AF00298LP0002 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.29 Brc1cnc(nc1)Nc2ccccc2 WXVL_AG00183LQ1546 [0,1,0,0,0,0|3,0,0]=4 9 B15R2.29 Brc1cnc(nc1)Nc2ccccc2 WXVL_AG00183LQ1546 [0,1,0,0,0,0|3,0,0]=4 10 B15R2.29 Cc1cnc(nc1)Nc2ccccc2 WXVL_AG00183LP0025 [0,1,0,0,0,0|3,0,0]=4 11 B15R2.29 Cc1cnc(nc1)Nc2ccccc2 WXVL_AG00183LP0025 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.29 Clc1ccc(cc1)Nc2ccncn2 WXVL_AG0062LP3358 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.29 Clc1ccc(cc1)Nc2ccncn2 WXVL_AG0062LP3358 [0,1,0,0,0,0|3,0,0]=4 14 B15R2.29 Clc1ccc(cc1)Nc2ncccn2 WXVL_AG0062LP0002 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.29 Clc1ccc(cc1)Nc2ncccn2 WXVL_AG0062LP0002 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.29 Fc1cnc(nc1)Nc2ccccc2 WXVL_AG00183LP0017 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.29 Fc1cnc(nc1)Nc2ccccc2 WXVL_AG00183LP0017 [0,1,0,0,0,0|3,0,0]=4 18 B15R2.29 Ic1ccc(cc1)Nc2ccncn2 WXVL_AG1742LP3358 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.29 Ic1ccc(cc1)Nc2ccncn2 WXVL_AG1742LP3358 [0,1,0,0,0,0|3,0,0]=4 20 B15R2.29 Ic1ccc(cc1)Nc2ncccn2 WXVL_AG1742LP0002 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.29 Ic1ccc(cc1)Nc2ncccn2 WXVL_AG1742LP0002 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.29 Ic1cnc(nc1)Nc2ccccc2 WXVL_AG00183LP3340 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.29 Ic1cnc(nc1)Nc2ccccc2 WXVL_AG00183LP3340 [0,1,0,0,0,0|3,0,0]=4 24 B15R2.31 Brc1ccnc(n1)Nc2ccccc2 WXVL_AG00183LQ3192 [0,1,0,0,0,0|3,0,0]=4 25 B15R2.31 Brc1ccnc(n1)Nc2ccccc2 WXVL_AG00183LQ3192 [0,1,0,0,0,0|3,0,0]=4 26 B15R2.31 Brc1nccc(n1)Nc2ccccc2 WXVL_AG00183LQ4646 [0,1,0,0,0,0|3,0,0]=4 27 B15R2.31 Brc1nccc(n1)Nc2ccccc2 WXVL_AG00183LQ4646 [0,1,0,0,0,0|3,0,0]=4 28 B15R2.31 Cc1cc(ncn1)Nc2ccccc2 WXVL_AG00183LP0109 [0,1,0,0,0,0|3,0,0]=4 29 B15R2.31 Cc1cc(ncn1)Nc2ccccc2 WXVL_AG00183LP0109 [0,1,0,0,0,0|3,0,0]=4 30 B15R2.31 Cc1cccc(c1)Nc2ccncn2 WXVL_AG0052LP3358 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.31 Cc1cccc(c1)Nc2ccncn2 WXVL_AG0052LP3358 [0,1,0,0,0,0|3,0,0]=4 32 B15R2.31 Cc1cccc(c1)Nc2ncccn2 WXVL_AG0052LP0002 [0,1,0,0,0,0|3,0,0]=4 33 B15R2.31 Cc1cccc(c1)Nc2ncccn2 WXVL_AG0052LP0002 [0,1,0,0,0,0|3,0,0]=4 34 B15R2.31 Cc1ccnc(n1)Nc2ccccc2 WXVL_AG00183LP0007 [0,1,0,0,0,0|3,0,0]=4 35 B15R2.31 Cc1ccnc(n1)Nc2ccccc2 WXVL_AG00183LP0007 [0,1,0,0,0,0|3,0,0]=4 36 B15R2.31 Cc1nccc(n1)Nc2ccccc2 WXVL_AG00183LP0556 [0,1,0,0,0,0|3,0,0]=4 37 B15R2.31 Cc1nccc(n1)Nc2ccccc2 WXVL_AG00183LP0556 [0,1,0,0,0,0|3,0,0]=4 38 B15R2.31 Ic1cccc(c1)Nc2ccncn2 WXVL_AG0649LP3358 [0,1,0,0,0,0|3,0,0]=4 39 B15R2.31 Ic1cccc(c1)Nc2ccncn2 WXVL_AG0649LP3358 [0,1,0,0,0,0|3,0,0]=4 40 B15R2.31 Ic1cccc(c1)Nc2ncccn2 WXVL_AG0649LP0002 [0,1,0,0,0,0|3,0,0]=4 41 B15R2.31 Ic1cccc(c1)Nc2ncccn2 WXVL_AG0649LP0002 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.31 Oc1cccc(c1)Nc2ccncn2 WXVL_AG00200LP3358 [0,1,0,0,0,0|3,0,0]=4 43 B15R2.31 Oc1cccc(c1)Nc2ccncn2 WXVL_AG00200LP3358 [0,1,0,0,0,0|3,0,0]=4 44 B15R2.31 Oc1cccc(c1)Nc2ncccn2 WXVL_AG00200LP0002 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.31 Oc1cccc(c1)Nc2ncccn2 WXVL_AG00200LP0002 [0,1,0,0,0,0|3,0,0]=4 46 B15R2.38 Brc1ccccc1Nc2ccncn2 WXVL_AG00180LP3358 [0,1,0,0,0,0|3,0,0]=4 47 B15R2.38 Brc1ccccc1Nc2ccncn2 WXVL_AG00180LP3358 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.38 Brc1ccccc1Nc2ncccn2 WXVL_AG00180LP0002 [0,1,0,0,0,0|3,0,0]=4 49 B15R2.38 Brc1ccccc1Nc2ncccn2 WXVL_AG00180LP0002 [0,1,0,0,0,0|3,0,0]=4 50 B15R2.38 Brc1cncnc1Nc2ccccc2 WXVL_AG00183LQ2111 [0,1,0,0,0,0|3,0,0]=4 51 B15R2.38 Brc1cncnc1Nc2ccccc2 WXVL_AG00183LQ2111 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.38 Cc1ccccc1Nc2ccncn2 WXVL_AG0027LP3358 [0,1,0,0,0,0|3,0,0]=4 53 B15R2.38 Cc1ccccc1Nc2ccncn2 WXVL_AG0027LP3358 [0,1,0,0,0,0|3,0,0]=4 54 B15R2.38 Cc1ccccc1Nc2ncccn2 WXVL_AG0027LP0002 [0,1,0,0,0,0|3,0,0]=4 55 B15R2.38 Cc1ccccc1Nc2ncccn2 WXVL_AG0027LP0002 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.38 Cc1cncnc1Nc2ccccc2 WXVL_AG00183LP0053 [0,1,0,0,0,0|3,0,0]=4 57 B15R2.38 Cc1cncnc1Nc2ccccc2 WXVL_AG00183LP0053 [0,1,0,0,0,0|3,0,0]=4 58 B15R2.38 Clc1ccccc1Nc2ccncn2 WXVL_AG00129LP3358 [0,1,0,0,0,0|3,0,0]=4 59 B15R2.38 Clc1ccccc1Nc2ccncn2 WXVL_AG00129LP3358 [0,1,0,0,0,0|3,0,0]=4 60 B15R2.38 Clc1ccccc1Nc2ncccn2 WXVL_AG00129LP0002 [0,1,0,0,0,0|3,0,0]=4 61 B15R2.38 Clc1ccccc1Nc2ncccn2 WXVL_AG00129LP0002 [0,1,0,0,0,0|3,0,0]=4 62 B15R2.38 Fc1cncnc1Nc2ccccc2 WXVL_AG00183LP0435 [0,1,0,0,0,0|3,0,0]=4 63 B15R2.38 Fc1cncnc1Nc2ccccc2 WXVL_AG00183LP0435 [0,1,0,0,0,0|3,0,0]=4 64 B15R2.38 Ic1ccccc1Nc2ccncn2 WXVL_AG0385LP3358 [0,1,0,0,0,0|3,0,0]=4 65 B15R2.38 Ic1ccccc1Nc2ccncn2 WXVL_AG0385LP3358 [0,1,0,0,0,0|3,0,0]=4 66 B15R2.38 Ic1ccccc1Nc2ncccn2 WXVL_AG0385LP0002 [0,1,0,0,0,0|3,0,0]=4 67 B15R2.38 Ic1ccccc1Nc2ncccn2 WXVL_AG0385LP0002 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.38 Ic1cncnc1Nc2ccccc2 WXVL_AG00183LP3348 [0,1,0,0,0,0|3,0,0]=4 69 B15R2.38 Ic1cncnc1Nc2ccccc2 WXVL_AG00183LP3348 [0,1,0,0,0,0|3,0,0]=4 70 B15R2.2195 c1ccc(cc1)CNc2ccncn2 WXVL_AK00502LP3358 [0,0,0,0,0,1|3,0,0]=4 71 B15R2.2195 c1ccc(cc1)CNc2ccncn2 WXVL_AK00502LP3358 [0,0,0,0,0,1|3,0,0]=4 72 B15R2.2195 c1ccc(cc1)CNc2ncccn2 WXVL_AK00502LP0002 [0,0,0,0,0,1|3,0,0]=4 73 B15R2.2195 c1ccc(cc1)CNc2ncccn2 WXVL_AK00502LP0002 [0,0,0,0,0,1|3,0,0]=4 74 B14R1.158 C/C=C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0348 [0,1,1,0,0,0|1,0,1]=4 75 B14R1.158 C/C=C/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0348 [0,1,1,0,0,0|1,0,1]=4 76 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 WXVL_AG00183SD0001 [0,1,0,0,0,1|1,0,0]=3 77 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 WXVL_AG00183SD0001 [0,1,0,0,0,1|1,0,0]=3 78 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 WXVL_AG00183SC0058 [0,1,0,0,0,1|2,0,0]=4 79 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 WXVL_AG00183SC0058 [0,1,0,0,0,1|2,0,0]=4 80 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 WXVL_AG00183SC0061 [0,1,0,0,0,1|2,0,0]=4 81 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 WXVL_AG00183SC0061 [0,1,0,0,0,1|2,0,0]=4 82 B16R2.88 O=C(Nc1ccccc1)c2ccncc2 WXVL_AG00183SC0062 [0,1,0,0,0,1|2,0,0]=4 83 B16R2.88 O=C(Nc1ccccc1)c2ccncc2 WXVL_AG00183SC0062 [0,1,0,0,0,1|2,0,0]=4 84 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 WXVL_AF00298SD0001 [0,1,0,0,0,1|2,0,0]=4 85 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 WXVL_AF00298SD0001 [0,1,0,0,0,1|2,0,0]=4 86 B16R2.23 CNc1cc(ncn1)Oc2ccccc2 WXVL_AK00442LP0503 [0,2,0,0,0,0|2,0,0]=4 87 B16R2.23 CNc1cc(ncn1)Oc2ccccc2 WXVL_AK00442LP0503 [0,2,0,0,0,0|2,0,0]=4 88 B16R2.23 CNc1nccc(n1)Oc2ccccc2 WXVL_AK00442LP0635 [0,2,0,0,0,0|2,0,0]=4 89 B16R2.23 CNc1nccc(n1)Oc2ccccc2 WXVL_AK00442LP0635 [0,2,0,0,0,0|2,0,0]=4 90 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT0919 [0,0,0,0,2,0|1,0,0]=3 91 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT1115 [0,0,0,0,2,0|1,0,0]=3 92 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT2957 [0,0,0,0,2,0|1,0,0]=3 93 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [0,0,0,0,2,0|2,0,0]=4 94 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [0,0,0,0,2,0|2,0,0]=4 95 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [0,0,0,0,2,0|2,0,0]=4 96 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [0,0,0,0,2,0|2,0,0]=4 97 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [0,0,0,0,2,0|2,0,0]=4 98 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [0,0,0,0,2,0|2,0,0]=4 99 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT0919 [0,0,0,0,2,0|2,0,0]=4 100 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT1115 [0,0,0,0,2,0|2,0,0]=4 101 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT2957 [0,0,0,0,2,0|2,0,0]=4 102 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT0919 [0,0,0,0,2,0|2,0,0]=4 103 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT1115 [0,0,0,0,2,0|2,0,0]=4 104 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT2957 [0,0,0,0,2,0|2,0,0]=4 105 B12R2.2 c1ccc(nc1)c2cccs2 WXVL_LR0498BT0164 [0,0,0,0,2,0|2,0,0]=4 106 B12R2.2 c1cncc(c1)c2cccs2 WXVL_LR0498BT1208 [0,0,0,0,2,0|2,0,0]=4 107 B12R2.2 c1cncc(c1)c2cccs2 WXVL_LR0498BT3912 [0,0,0,0,2,0|2,0,0]=4 108 B12R2.2 c1csc(c1)c2ccncc2 WXVL_LR0498BT0574 [0,0,0,0,2,0|2,0,0]=4