0 B14R2.101 c1c[nH]c(c1)CNc2ccncn2 WXVL_AK00759LP3358 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.101 c1c[nH]c(c1)CNc2ccncn2 WXVL_AK00759LP3358 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.101 c1cc(ncn1)NCc2cc[nH]n2 WXVL_AK00156LP3358 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.101 c1cc(ncn1)NCc2cc[nH]n2 WXVL_AK00156LP3358 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.101 c1cc(ncn1)NCc2ccoc2 WXVL_AK2033LP3358 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.101 c1cc(ncn1)NCc2ccoc2 WXVL_AK2033LP3358 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.101 c1cc(ncn1)NCc2ccsc2 WXVL_AK00174LP3358 [0,0,0,0,0,0|4,0,0]=4 7 B14R2.101 c1cc(ncn1)NCc2ccsc2 WXVL_AK00174LP3358 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.101 c1cc(ncn1)NCc2cn[nH]c2 WXVL_AK00625LP3358 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.101 c1cc(ncn1)NCc2cn[nH]c2 WXVL_AK00625LP3358 [0,0,0,0,0,0|4,0,0]=4 10 B14R2.101 c1cc(ncn1)NCc2cnc[nH]2 WXVL_AK00778LP3358 [0,0,0,0,0,0|2,0,2]=4 11 B14R2.101 c1cc(ncn1)NCc2cnc[nH]2 WXVL_AK00778LP3358 [0,0,0,0,0,0|2,0,2]=4 12 B14R2.101 c1cc(ncn1)NCc2cnco2 WXVL_AK1437LP3358 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.101 c1cc(ncn1)NCc2cnco2 WXVL_AK1437LP3358 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.101 c1cc(ncn1)NCc2cncs2 WXVL_AK0526LP3358 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.101 c1cc(ncn1)NCc2cncs2 WXVL_AK0526LP3358 [0,0,0,0,0,0|3,0,1]=4 16 B14R2.101 c1cc(ncn1)NCc2cocn2 WXVL_AK00016LP3358 [0,0,0,0,0,0|3,0,0]=3 17 B14R2.101 c1cc(ncn1)NCc2cocn2 WXVL_AK00016LP3358 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.101 c1cc(ncn1)NCc2cscn2 WXVL_AK0325LP3358 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.101 c1cc(ncn1)NCc2cscn2 WXVL_AK0325LP3358 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.101 c1cc(ncn1)NCc2nccs2 WXVL_AK0153LP3358 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.101 c1cc(ncn1)NCc2nccs2 WXVL_AK0153LP3358 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.101 c1cc(ncn1)NCc2ncon2 WXVL_AK0525LP3358 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.101 c1cc(ncn1)NCc2ncon2 WXVL_AK0525LP3358 [0,0,0,0,0,0|4,0,0]=4 24 B14R2.101 c1cc(ncn1)NCc2nn[nH]n2 WXVL_AK1631LP3358 [0,0,0,0,0,0|4,0,0]=4 25 B14R2.101 c1cc(ncn1)NCc2nn[nH]n2 WXVL_AK1631LP3358 [0,0,0,0,0,0|4,0,0]=4 26 B14R2.101 c1cnc(nc1)NCc2cc[nH]n2 WXVL_AK00156LP0002 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.101 c1cnc(nc1)NCc2cc[nH]n2 WXVL_AK00156LP0002 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.101 c1cnc(nc1)NCc2ccc[nH]2 WXVL_AK00759LP0002 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.101 c1cnc(nc1)NCc2ccc[nH]2 WXVL_AK00759LP0002 [0,0,0,0,0,0|3,0,1]=4 30 B14R2.101 c1cnc(nc1)NCc2ccco2 WXVL_AK0010LP0002 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.101 c1cnc(nc1)NCc2ccco2 WXVL_AK0010LP0002 [0,0,0,0,0,0|4,0,0]=4 32 B14R2.101 c1cnc(nc1)NCc2cccs2 WXVL_AK0014LP0002 [0,0,0,0,0,0|4,0,0]=4 33 B14R2.101 c1cnc(nc1)NCc2cccs2 WXVL_AK0014LP0002 [0,0,0,0,0,0|4,0,0]=4 34 B14R2.101 c1cnc(nc1)NCc2ccoc2 WXVL_AK2033LP0002 [0,0,0,0,0,0|4,0,0]=4 35 B14R2.101 c1cnc(nc1)NCc2ccoc2 WXVL_AK2033LP0002 [0,0,0,0,0,0|4,0,0]=4 36 B14R2.101 c1cnc(nc1)NCc2ccsc2 WXVL_AK00174LP0002 [0,0,0,0,0,0|4,0,0]=4 37 B14R2.101 c1cnc(nc1)NCc2ccsc2 WXVL_AK00174LP0002 [0,0,0,0,0,0|4,0,0]=4 38 B14R2.101 c1cnc(nc1)NCc2cn[nH]c2 WXVL_AK00625LP0002 [0,0,0,0,0,0|4,0,0]=4 39 B14R2.101 c1cnc(nc1)NCc2cn[nH]c2 WXVL_AK00625LP0002 [0,0,0,0,0,0|4,0,0]=4 40 B14R2.101 c1cnc(nc1)NCc2cnc[nH]2 WXVL_AK00778LP0002 [0,0,0,0,0,0|2,0,2]=4 41 B14R2.101 c1cnc(nc1)NCc2cnc[nH]2 WXVL_AK00778LP0002 [0,0,0,0,0,0|2,0,2]=4 42 B14R2.101 c1cnc(nc1)NCc2cnco2 WXVL_AK1437LP0002 [0,0,0,0,0,0|3,0,1]=4 43 B14R2.101 c1cnc(nc1)NCc2cnco2 WXVL_AK1437LP0002 [0,0,0,0,0,0|3,0,1]=4 44 B14R2.101 c1cnc(nc1)NCc2cncs2 WXVL_AK0526LP0002 [0,0,0,0,0,0|3,0,1]=4 45 B14R2.101 c1cnc(nc1)NCc2cncs2 WXVL_AK0526LP0002 [0,0,0,0,0,0|3,0,1]=4 46 B14R2.101 c1cnc(nc1)NCc2cocn2 WXVL_AK00016LP0002 [0,0,0,0,0,0|3,0,0]=3 47 B14R2.101 c1cnc(nc1)NCc2cocn2 WXVL_AK00016LP0002 [0,0,0,0,0,0|3,0,0]=3 48 B14R2.101 c1cnc(nc1)NCc2cscn2 WXVL_AK0325LP0002 [0,0,0,0,0,0|3,0,0]=3 49 B14R2.101 c1cnc(nc1)NCc2cscn2 WXVL_AK0325LP0002 [0,0,0,0,0,0|3,0,0]=3 50 B14R2.101 c1cnc(nc1)NCc2nccs2 WXVL_AK0153LP0002 [0,0,0,0,0,0|4,0,0]=4 51 B14R2.101 c1cnc(nc1)NCc2nccs2 WXVL_AK0153LP0002 [0,0,0,0,0,0|4,0,0]=4 52 B14R2.101 c1cnc(nc1)NCc2ncon2 WXVL_AK0525LP0002 [0,0,0,0,0,0|4,0,0]=4 53 B14R2.101 c1cnc(nc1)NCc2ncon2 WXVL_AK0525LP0002 [0,0,0,0,0,0|4,0,0]=4 54 B14R2.101 c1cnc(nc1)NCc2nn[nH]n2 WXVL_AK1631LP0002 [0,0,0,0,0,0|4,0,0]=4 55 B14R2.101 c1cnc(nc1)NCc2nn[nH]n2 WXVL_AK1631LP0002 [0,0,0,0,0,0|4,0,0]=4 56 B14R2.101 c1coc(c1)CNc2ccncn2 WXVL_AK0010LP3358 [0,0,0,0,0,0|4,0,0]=4 57 B14R2.101 c1coc(c1)CNc2ccncn2 WXVL_AK0010LP3358 [0,0,0,0,0,0|4,0,0]=4 58 B14R2.101 c1csc(c1)CNc2ccncn2 WXVL_AK0014LP3358 [0,0,0,0,0,0|4,0,0]=4 59 B14R2.101 c1csc(c1)CNc2ccncn2 WXVL_AK0014LP3358 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.64 O=C(Nc1ccccc1)c2c[nH]cn2 WXVL_AG00183SC0074 [0,1,0,0,0,0|0,0,1]=2 61 B15R2.64 O=C(Nc1ccccc1)c2c[nH]cn2 WXVL_AG00183SC0074 [0,1,0,0,0,0|0,0,1]=2 62 B15R2.64 O=C(Nc1ccccc1)c2cc[nH]c2 WXVL_AG00183SC0013 [0,1,0,0,0,0|1,0,1]=3 63 B15R2.64 O=C(Nc1ccccc1)c2cc[nH]c2 WXVL_AG00183SC0013 [0,1,0,0,0,0|1,0,1]=3 64 B15R2.64 O=C(Nc1ccccc1)c2cc[nH]n2 WXVL_AG00183SC0003 [0,1,0,0,0,0|2,0,1]=4 65 B15R2.64 O=C(Nc1ccccc1)c2cc[nH]n2 WXVL_AG00183SC0003 [0,1,0,0,0,0|2,0,1]=4 66 B15R2.64 O=C(Nc1ccccc1)c2ccco2 WXVL_AG00183SC0049 [0,1,0,0,0,0|2,0,1]=4 67 B15R2.64 O=C(Nc1ccccc1)c2ccco2 WXVL_AG00183SC0049 [0,1,0,0,0,0|2,0,1]=4 68 B15R2.64 O=C(Nc1ccccc1)c2cccs2 WXVL_AG00183SC0051 [0,1,0,0,0,0|2,0,1]=4 69 B15R2.64 O=C(Nc1ccccc1)c2cccs2 WXVL_AG00183SC0051 [0,1,0,0,0,0|2,0,1]=4 70 B15R2.64 O=C(Nc1ccccc1)c2ccoc2 WXVL_AG00183SC0050 [0,1,0,0,0,0|2,0,1]=4 71 B15R2.64 O=C(Nc1ccccc1)c2ccoc2 WXVL_AG00183SC0050 [0,1,0,0,0,0|2,0,1]=4 72 B15R2.64 O=C(Nc1ccccc1)c2ccon2 WXVL_AG00183SC0116 [0,1,0,0,0,0|2,0,1]=4 73 B15R2.64 O=C(Nc1ccccc1)c2ccon2 WXVL_AG00183SC0116 [0,1,0,0,0,0|2,0,1]=4 74 B15R2.64 O=C(Nc1ccccc1)c2ccsc2 WXVL_AG00183SC0054 [0,1,0,0,0,0|2,0,1]=4 75 B15R2.64 O=C(Nc1ccccc1)c2ccsc2 WXVL_AG00183SC0054 [0,1,0,0,0,0|2,0,1]=4 76 B15R2.64 O=C(Nc1ccccc1)c2ccsn2 WXVL_AG00183SC0764 [0,1,0,0,0,0|2,0,1]=4 77 B15R2.64 O=C(Nc1ccccc1)c2ccsn2 WXVL_AG00183SC0764 [0,1,0,0,0,0|2,0,1]=4 78 B15R2.64 O=C(Nc1ccccc1)c2cn[nH]c2 WXVL_AG00183SC0254 [0,1,0,0,0,0|2,0,1]=4 79 B15R2.64 O=C(Nc1ccccc1)c2cn[nH]c2 WXVL_AG00183SC0254 [0,1,0,0,0,0|2,0,1]=4 80 B15R2.64 O=C(Nc1ccccc1)c2cnc[nH]2 WXVL_AG00183SC0247 [0,1,0,0,0,0|0,0,3]=4 81 B15R2.64 O=C(Nc1ccccc1)c2cnc[nH]2 WXVL_AG00183SC0247 [0,1,0,0,0,0|0,0,3]=4 82 B15R2.64 O=C(Nc1ccccc1)c2cnco2 WXVL_AG00183SC0018 [0,1,0,0,0,0|1,0,2]=4 83 B15R2.64 O=C(Nc1ccccc1)c2cnco2 WXVL_AG00183SC0018 [0,1,0,0,0,0|1,0,2]=4 84 B15R2.64 O=C(Nc1ccccc1)c2cncs2 WXVL_AG00183SC0113 [0,1,0,0,0,0|1,0,2]=4 85 B15R2.64 O=C(Nc1ccccc1)c2cncs2 WXVL_AG00183SC0113 [0,1,0,0,0,0|1,0,2]=4 86 B15R2.64 O=C(Nc1ccccc1)c2cnon2 WXVL_AG00183SC0777 [0,1,0,0,0,0|1,0,2]=4 87 B15R2.64 O=C(Nc1ccccc1)c2cnon2 WXVL_AG00183SC0777 [0,1,0,0,0,0|1,0,2]=4 88 B15R2.64 O=C(Nc1ccccc1)c2cnsn2 WXVL_AG00183SC1291 [0,1,0,0,0,0|1,0,2]=4 89 B15R2.64 O=C(Nc1ccccc1)c2cnsn2 WXVL_AG00183SC1291 [0,1,0,0,0,0|1,0,2]=4 90 B15R2.64 O=C(Nc1ccccc1)c2cocn2 WXVL_AG00183SC0118 [0,1,0,0,0,0|1,0,1]=3 91 B15R2.64 O=C(Nc1ccccc1)c2cocn2 WXVL_AG00183SC0118 [0,1,0,0,0,0|1,0,1]=3 92 B15R2.64 O=C(Nc1ccccc1)c2cscn2 WXVL_AG00183SC0092 [0,1,0,0,0,0|1,0,1]=3 93 B15R2.64 O=C(Nc1ccccc1)c2cscn2 WXVL_AG00183SC0092 [0,1,0,0,0,0|1,0,1]=3 94 B15R2.64 O=C(Nc1ccccc1)c2csnn2 WXVL_AG00183SC0002 [0,1,0,0,0,0|2,0,1]=4 95 B15R2.64 O=C(Nc1ccccc1)c2csnn2 WXVL_AG00183SC0002 [0,1,0,0,0,0|2,0,1]=4 96 B15R2.64 O=C(Nc1ccccc1)c2nc[nH]n2 WXVL_AG00183SC0376 [0,1,0,0,0,0|1,0,1]=3 97 B15R2.64 O=C(Nc1ccccc1)c2nc[nH]n2 WXVL_AG00183SC0376 [0,1,0,0,0,0|1,0,1]=3 98 B15R2.64 O=C(Nc1ccccc1)c2nccs2 WXVL_AG00183SC0110 [0,1,0,0,0,0|2,0,1]=4 99 B15R2.64 O=C(Nc1ccccc1)c2nccs2 WXVL_AG00183SC0110 [0,1,0,0,0,0|2,0,1]=4 100 B15R2.64 O=C(Nc1ccccn1)c2c[nH]cn2 WXVL_AF00298SC0074 [0,1,0,0,0,0|1,0,1]=3 101 B15R2.64 O=C(Nc1ccccn1)c2c[nH]cn2 WXVL_AF00298SC0074 [0,1,0,0,0,0|1,0,1]=3 102 B15R2.64 O=C(Nc1ccccn1)c2cc[nH]c2 WXVL_AF00298SC0013 [0,1,0,0,0,0|2,0,1]=4 103 B15R2.64 O=C(Nc1ccccn1)c2cc[nH]c2 WXVL_AF00298SC0013 [0,1,0,0,0,0|2,0,1]=4 104 B15R2.64 O=C(Nc1ccccn1)c2cocn2 WXVL_AF00298SC0118 [0,1,0,0,0,0|2,0,1]=4 105 B15R2.64 O=C(Nc1ccccn1)c2cocn2 WXVL_AF00298SC0118 [0,1,0,0,0,0|2,0,1]=4 106 B15R2.64 O=C(Nc1ccccn1)c2cscn2 WXVL_AF00298SC0092 [0,1,0,0,0,0|2,0,1]=4 107 B15R2.64 O=C(Nc1ccccn1)c2cscn2 WXVL_AF00298SC0092 [0,1,0,0,0,0|2,0,1]=4 108 B15R2.64 O=C(Nc1ccccn1)c2nc[nH]n2 WXVL_AF00298SC0376 [0,1,0,0,0,0|2,0,1]=4 109 B15R2.64 O=C(Nc1ccccn1)c2nc[nH]n2 WXVL_AF00298SC0376 [0,1,0,0,0,0|2,0,1]=4 110 B15R2.64 O=C(Nc1cccnn1)c2c[nH]cn2 WXVL_AF0151SC0074 [0,1,0,0,0,0|2,0,1]=4 111 B15R2.64 O=C(Nc1cccnn1)c2c[nH]cn2 WXVL_AF0151SC0074 [0,1,0,0,0,0|2,0,1]=4 112 B15R2.64 O=C(Nc1ccncn1)c2c[nH]cn2 WXVL_AF0139SC0074 [0,1,0,0,0,0|2,0,1]=4 113 B15R2.64 O=C(Nc1ccncn1)c2c[nH]cn2 WXVL_AF0139SC0074 [0,1,0,0,0,0|2,0,1]=4 114 B15R2.64 O=C(Nc1ccnnc1)c2c[nH]cn2 WXVL_AF0624SC0074 [0,1,0,0,0,0|2,0,1]=4 115 B15R2.64 O=C(Nc1ccnnc1)c2c[nH]cn2 WXVL_AF0624SC0074 [0,1,0,0,0,0|2,0,1]=4 116 B15R2.64 O=C(Nc1cnccn1)c2c[nH]cn2 WXVL_AF0120SC0074 [0,1,0,0,0,0|2,0,1]=4 117 B15R2.64 O=C(Nc1cnccn1)c2c[nH]cn2 WXVL_AF0120SC0074 [0,1,0,0,0,0|2,0,1]=4 118 B15R2.64 O=C(Nc1cncnc1)c2c[nH]cn2 WXVL_AF0085SC0074 [0,1,0,0,0,0|2,0,1]=4 119 B15R2.64 O=C(Nc1cncnc1)c2c[nH]cn2 WXVL_AF0085SC0074 [0,1,0,0,0,0|2,0,1]=4 120 B15R2.100 Brc1cnc(nc1)NCc2cocn2 WXVL_AK00016LQ1546 [0,1,0,0,0,0|3,0,0]=4 121 B15R2.100 Brc1cnc(nc1)NCc2cocn2 WXVL_AK00016LQ1546 [0,1,0,0,0,0|3,0,0]=4 122 B15R2.100 Brc1cnc(nc1)NCc2cscn2 WXVL_AK0325LQ1546 [0,1,0,0,0,0|3,0,0]=4 123 B15R2.100 Brc1cnc(nc1)NCc2cscn2 WXVL_AK0325LQ1546 [0,1,0,0,0,0|3,0,0]=4 124 B15R2.100 Cc1cnc(nc1)NCc2cocn2 WXVL_AK00016LP0025 [0,1,0,0,0,0|3,0,0]=4 125 B15R2.100 Cc1cnc(nc1)NCc2cocn2 WXVL_AK00016LP0025 [0,1,0,0,0,0|3,0,0]=4 126 B15R2.100 Cc1cnc(nc1)NCc2cscn2 WXVL_AK0325LP0025 [0,1,0,0,0,0|3,0,0]=4 127 B15R2.100 Cc1cnc(nc1)NCc2cscn2 WXVL_AK0325LP0025 [0,1,0,0,0,0|3,0,0]=4 128 B15R2.100 Fc1cnc(nc1)NCc2cocn2 WXVL_AK00016LP0017 [0,1,0,0,0,0|3,0,0]=4 129 B15R2.100 Fc1cnc(nc1)NCc2cocn2 WXVL_AK00016LP0017 [0,1,0,0,0,0|3,0,0]=4 130 B15R2.100 Fc1cnc(nc1)NCc2cscn2 WXVL_AK0325LP0017 [0,1,0,0,0,0|3,0,0]=4 131 B15R2.100 Fc1cnc(nc1)NCc2cscn2 WXVL_AK0325LP0017 [0,1,0,0,0,0|3,0,0]=4 132 B15R2.100 Ic1cnc(nc1)NCc2cocn2 WXVL_AK00016LP3340 [0,1,0,0,0,0|3,0,0]=4 133 B15R2.100 Ic1cnc(nc1)NCc2cocn2 WXVL_AK00016LP3340 [0,1,0,0,0,0|3,0,0]=4 134 B15R2.100 Ic1cnc(nc1)NCc2cscn2 WXVL_AK0325LP3340 [0,1,0,0,0,0|3,0,0]=4 135 B15R2.100 Ic1cnc(nc1)NCc2cscn2 WXVL_AK0325LP3340 [0,1,0,0,0,0|3,0,0]=4 136 B15R2.283 Cc1nc(cs1)CNc2ccncn2 WXVL_AK0167LP3358 [0,1,0,0,0,0|3,0,0]=4 137 B15R2.283 Cc1nc(cs1)CNc2ccncn2 WXVL_AK0167LP3358 [0,1,0,0,0,0|3,0,0]=4 138 B15R2.283 Cc1nc(cs1)CNc2ncccn2 WXVL_AK0167LP0002 [0,1,0,0,0,0|3,0,0]=4 139 B15R2.283 Cc1nc(cs1)CNc2ncccn2 WXVL_AK0167LP0002 [0,1,0,0,0,0|3,0,0]=4 140 B15R2.283 Cn1cnc(c1)CNc2ccncn2 WXVL_AK00449LP3358 [0,1,0,0,0,0|2,0,0]=3 141 B15R2.283 Cn1cnc(c1)CNc2ccncn2 WXVL_AK00449LP3358 [0,1,0,0,0,0|2,0,0]=3 142 B15R2.283 Cn1cnc(c1)CNc2ncccn2 WXVL_AK00449LP0002 [0,1,0,0,0,0|2,0,0]=3 143 B15R2.283 Cn1cnc(c1)CNc2ncccn2 WXVL_AK00449LP0002 [0,1,0,0,0,0|2,0,0]=3 144 B15R2.562 Brc1cncnc1NCc2cocn2 WXVL_AK00016LQ2111 [0,1,0,0,0,0|3,0,0]=4 145 B15R2.562 Brc1cncnc1NCc2cocn2 WXVL_AK00016LQ2111 [0,1,0,0,0,0|3,0,0]=4 146 B15R2.562 Brc1cncnc1NCc2cscn2 WXVL_AK0325LQ2111 [0,1,0,0,0,0|3,0,0]=4 147 B15R2.562 Brc1cncnc1NCc2cscn2 WXVL_AK0325LQ2111 [0,1,0,0,0,0|3,0,0]=4 148 B15R2.562 Cc1cncnc1NCc2cocn2 WXVL_AK00016LP0053 [0,1,0,0,0,0|3,0,0]=4 149 B15R2.562 Cc1cncnc1NCc2cocn2 WXVL_AK00016LP0053 [0,1,0,0,0,0|3,0,0]=4 150 B15R2.562 Cc1cncnc1NCc2cscn2 WXVL_AK0325LP0053 [0,1,0,0,0,0|3,0,0]=4 151 B15R2.562 Cc1cncnc1NCc2cscn2 WXVL_AK0325LP0053 [0,1,0,0,0,0|3,0,0]=4 152 B15R2.562 Fc1cncnc1NCc2cocn2 WXVL_AK00016LP0435 [0,1,0,0,0,0|3,0,0]=4 153 B15R2.562 Fc1cncnc1NCc2cocn2 WXVL_AK00016LP0435 [0,1,0,0,0,0|3,0,0]=4 154 B15R2.562 Fc1cncnc1NCc2cscn2 WXVL_AK0325LP0435 [0,1,0,0,0,0|3,0,0]=4 155 B15R2.562 Fc1cncnc1NCc2cscn2 WXVL_AK0325LP0435 [0,1,0,0,0,0|3,0,0]=4 156 B15R2.562 Ic1cncnc1NCc2cocn2 WXVL_AK00016LP3348 [0,1,0,0,0,0|3,0,0]=4 157 B15R2.562 Ic1cncnc1NCc2cocn2 WXVL_AK00016LP3348 [0,1,0,0,0,0|3,0,0]=4 158 B15R2.562 Ic1cncnc1NCc2cscn2 WXVL_AK0325LP3348 [0,1,0,0,0,0|3,0,0]=4 159 B15R2.562 Ic1cncnc1NCc2cscn2 WXVL_AK0325LP3348 [0,1,0,0,0,0|3,0,0]=4 160 B15R2.1117 Brc1ccnc(n1)NCc2cocn2 WXVL_AK00016LQ3192 [0,1,0,0,0,0|3,0,0]=4 161 B15R2.1117 Brc1ccnc(n1)NCc2cocn2 WXVL_AK00016LQ3192 [0,1,0,0,0,0|3,0,0]=4 162 B15R2.1117 Brc1ccnc(n1)NCc2cscn2 WXVL_AK0325LQ3192 [0,1,0,0,0,0|3,0,0]=4 163 B15R2.1117 Brc1ccnc(n1)NCc2cscn2 WXVL_AK0325LQ3192 [0,1,0,0,0,0|3,0,0]=4 164 B15R2.1117 Brc1nccc(n1)NCc2cocn2 WXVL_AK00016LQ4646 [0,1,0,0,0,0|3,0,0]=4 165 B15R2.1117 Brc1nccc(n1)NCc2cocn2 WXVL_AK00016LQ4646 [0,1,0,0,0,0|3,0,0]=4 166 B15R2.1117 Brc1nccc(n1)NCc2cscn2 WXVL_AK0325LQ4646 [0,1,0,0,0,0|3,0,0]=4 167 B15R2.1117 Brc1nccc(n1)NCc2cscn2 WXVL_AK0325LQ4646 [0,1,0,0,0,0|3,0,0]=4 168 B15R2.1117 Cc1cc(ncn1)NCc2cocn2 WXVL_AK00016LP0109 [0,1,0,0,0,0|3,0,0]=4 169 B15R2.1117 Cc1cc(ncn1)NCc2cocn2 WXVL_AK00016LP0109 [0,1,0,0,0,0|3,0,0]=4 170 B15R2.1117 Cc1cc(ncn1)NCc2cscn2 WXVL_AK0325LP0109 [0,1,0,0,0,0|3,0,0]=4 171 B15R2.1117 Cc1cc(ncn1)NCc2cscn2 WXVL_AK0325LP0109 [0,1,0,0,0,0|3,0,0]=4 172 B15R2.1117 Cc1ccnc(n1)NCc2cocn2 WXVL_AK00016LP0007 [0,1,0,0,0,0|3,0,0]=4 173 B15R2.1117 Cc1ccnc(n1)NCc2cocn2 WXVL_AK00016LP0007 [0,1,0,0,0,0|3,0,0]=4 174 B15R2.1117 Cc1ccnc(n1)NCc2cscn2 WXVL_AK0325LP0007 [0,1,0,0,0,0|3,0,0]=4 175 B15R2.1117 Cc1ccnc(n1)NCc2cscn2 WXVL_AK0325LP0007 [0,1,0,0,0,0|3,0,0]=4 176 B15R2.1117 Cc1nccc(n1)NCc2cocn2 WXVL_AK00016LP0556 [0,1,0,0,0,0|3,0,0]=4 177 B15R2.1117 Cc1nccc(n1)NCc2cocn2 WXVL_AK00016LP0556 [0,1,0,0,0,0|3,0,0]=4 178 B15R2.1117 Cc1nccc(n1)NCc2cscn2 WXVL_AK0325LP0556 [0,1,0,0,0,0|3,0,0]=4 179 B15R2.1117 Cc1nccc(n1)NCc2cscn2 WXVL_AK0325LP0556 [0,1,0,0,0,0|3,0,0]=4 180 B15R2.1259 O=C(Nc1cscn1)c2ccccc2 WXVL_AF00216SD0001 [0,1,0,0,0,0|3,0,0]=4 181 B15R2.1259 O=C(Nc1cscn1)c2ccccc2 WXVL_AF00216SD0001 [0,1,0,0,0,0|3,0,0]=4 182 B13R2.64 c1cc(ncn1)Nc2cscn2 WXVL_AF00216LP3358 [0,0,0,0,1,0|3,0,0]=4 183 B13R2.64 c1cc(ncn1)Nc2cscn2 WXVL_AF00216LP3358 [0,0,0,0,1,0|3,0,0]=4 184 B13R2.64 c1cnc(nc1)Nc2cscn2 WXVL_AF00216LP0002 [0,0,0,0,1,0|3,0,0]=4 185 B13R2.64 c1cnc(nc1)Nc2cscn2 WXVL_AF00216LP0002 [0,0,0,0,1,0|3,0,0]=4 186 B15R2.2195 c1cc(ncn1)CNc2ccncn2 WXVL_AK1356LP3358 [0,0,0,0,0,1|2,0,1]=4 187 B15R2.2195 c1cc(ncn1)CNc2ccncn2 WXVL_AK1356LP3358 [0,0,0,0,0,1|2,0,1]=4 188 B15R2.2195 c1cc(ncn1)NCc2cnccn2 WXVL_AK00262LP3358 [0,0,0,0,0,1|2,0,1]=4 189 B15R2.2195 c1cc(ncn1)NCc2cnccn2 WXVL_AK00262LP3358 [0,0,0,0,0,1|2,0,1]=4 190 B15R2.2195 c1cc(ncn1)NCc2cncnc2 WXVL_AK1364LP3358 [0,0,0,0,0,1|2,0,1]=4 191 B15R2.2195 c1cc(ncn1)NCc2cncnc2 WXVL_AK1364LP3358 [0,0,0,0,0,1|2,0,1]=4 192 B15R2.2195 c1ccc(cc1)CNc2ccncn2 WXVL_AK00502LP3358 [0,0,0,0,0,1|2,0,1]=4 193 B15R2.2195 c1ccc(cc1)CNc2ccncn2 WXVL_AK00502LP3358 [0,0,0,0,0,1|2,0,1]=4 194 B15R2.2195 c1ccc(cc1)CNc2ncccn2 WXVL_AK00502LP0002 [0,0,0,0,0,1|3,0,0]=4 195 B15R2.2195 c1ccc(cc1)CNc2ncccn2 WXVL_AK00502LP0002 [0,0,0,0,0,1|3,0,0]=4 196 B15R2.2195 c1ccc(nc1)CNc2ccncn2 WXVL_AK0018LP3358 [0,0,0,0,0,1|3,0,0]=4 197 B15R2.2195 c1ccc(nc1)CNc2ccncn2 WXVL_AK0018LP3358 [0,0,0,0,0,1|3,0,0]=4 198 B15R2.2195 c1ccc(nc1)CNc2ncccn2 WXVL_AK0018LP0002 [0,0,0,0,0,1|3,0,0]=4 199 B15R2.2195 c1ccc(nc1)CNc2ncccn2 WXVL_AK0018LP0002 [0,0,0,0,0,1|3,0,0]=4 200 B15R2.2195 c1cnc(nc1)CNc2ccncn2 WXVL_AK0279LP3358 [0,0,0,0,0,1|3,0,0]=4 201 B15R2.2195 c1cnc(nc1)CNc2ccncn2 WXVL_AK0279LP3358 [0,0,0,0,0,1|3,0,0]=4 202 B15R2.2195 c1cnc(nc1)CNc2ncccn2 WXVL_AK0279LP0002 [0,0,0,0,0,1|3,0,0]=4 203 B15R2.2195 c1cnc(nc1)CNc2ncccn2 WXVL_AK0279LP0002 [0,0,0,0,0,1|3,0,0]=4 204 B15R2.2195 c1cnc(nc1)NCc2cccnc2 WXVL_AK0020LP0002 [0,0,0,0,0,1|3,0,0]=4 205 B15R2.2195 c1cnc(nc1)NCc2cccnc2 WXVL_AK0020LP0002 [0,0,0,0,0,1|3,0,0]=4 206 B15R2.2195 c1cnc(nc1)NCc2ccncn2 WXVL_AK1356LP0002 [0,0,0,0,0,1|2,0,1]=4 207 B15R2.2195 c1cnc(nc1)NCc2ccncn2 WXVL_AK1356LP0002 [0,0,0,0,0,1|2,0,1]=4 208 B15R2.2195 c1cnc(nc1)NCc2cnccn2 WXVL_AK00262LP0002 [0,0,0,0,0,1|2,0,1]=4 209 B15R2.2195 c1cnc(nc1)NCc2cnccn2 WXVL_AK00262LP0002 [0,0,0,0,0,1|2,0,1]=4 210 B15R2.2195 c1cnc(nc1)NCc2cncnc2 WXVL_AK1364LP0002 [0,0,0,0,0,1|2,0,1]=4 211 B15R2.2195 c1cnc(nc1)NCc2cncnc2 WXVL_AK1364LP0002 [0,0,0,0,0,1|2,0,1]=4 212 B15R2.2195 c1cncc(c1)CNc2ccncn2 WXVL_AK0020LP3358 [0,0,0,0,0,1|3,0,0]=4 213 B15R2.2195 c1cncc(c1)CNc2ccncn2 WXVL_AK0020LP3358 [0,0,0,0,0,1|3,0,0]=4 214 B14R1.86 C/C=C/C=C/C(=O)NCc1cocn1 WXVL_AK00016SB0348 [0,1,1,0,0,0|1,0,1]=4 215 B14R1.86 C/C=C/C=C/C(=O)NCc1cocn1 WXVL_AK00016SB0348 [0,1,1,0,0,0|1,0,1]=4 216 B14R1.86 C/C=C/C=C/C(=O)NCc1cscn1 WXVL_AK0325SB0348 [0,1,1,0,0,0|1,0,1]=4 217 B14R1.86 C/C=C/C=C/C(=O)NCc1cscn1 WXVL_AK0325SB0348 [0,1,1,0,0,0|1,0,1]=4 218 B14R2.19 Cn1cnc(c1)Nc2ccncn2 WXVL_AF0086LP3358 [0,1,0,0,1,0|2,0,0]=4 219 B14R2.19 Cn1cnc(c1)Nc2ccncn2 WXVL_AF0086LP3358 [0,1,0,0,1,0|2,0,0]=4 220 B14R2.19 Cn1cnc(c1)Nc2ncccn2 WXVL_AF0086LP0002 [0,1,0,0,1,0|2,0,0]=4 221 B14R2.19 Cn1cnc(c1)Nc2ncccn2 WXVL_AF0086LP0002 [0,1,0,0,1,0|2,0,0]=4 222 B14R2.793 O=C(Nc1ccsc1)c2c[nH]cn2 WXVL_AF00105SC0074 [0,1,0,0,1,0|1,0,1]=4 223 B14R2.793 O=C(Nc1ccsc1)c2c[nH]cn2 WXVL_AF00105SC0074 [0,1,0,0,1,0|1,0,1]=4 224 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 WXVL_AG00183SC0058 [0,1,0,0,0,1|1,0,1]=4 225 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 WXVL_AG00183SC0058 [0,1,0,0,0,1|1,0,1]=4 226 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 WXVL_AG00183SC0061 [0,1,0,0,0,1|1,0,1]=4 227 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 WXVL_AG00183SC0061 [0,1,0,0,0,1|1,0,1]=4 228 B16R2.88 O=C(Nc1ccccc1)c2cccnn2 WXVL_AG00183SC0374 [0,1,0,0,0,1|1,0,1]=4 229 B16R2.88 O=C(Nc1ccccc1)c2cccnn2 WXVL_AG00183SC0374 [0,1,0,0,0,1|1,0,1]=4 230 B16R2.88 O=C(Nc1ccccc1)c2ccncn2 WXVL_AG00183SC0231 [0,1,0,0,0,1|0,0,2]=4 231 B16R2.88 O=C(Nc1ccccc1)c2ccncn2 WXVL_AG00183SC0231 [0,1,0,0,0,1|0,0,2]=4 232 B16R2.88 O=C(Nc1ccccc1)c2cncnc2 WXVL_AG00183SC0097 [0,1,0,0,0,1|0,0,2]=4 233 B16R2.88 O=C(Nc1ccccc1)c2cncnc2 WXVL_AG00183SC0097 [0,1,0,0,0,1|0,0,2]=4 234 B16R2.88 O=C(Nc1ccccc1)c2ncccn2 WXVL_AG00183SC0096 [0,1,0,0,0,1|1,0,1]=4 235 B16R2.88 O=C(Nc1ccccc1)c2ncccn2 WXVL_AG00183SC0096 [0,1,0,0,0,1|1,0,1]=4 236 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 WXVL_AG00183SA0018 [0,1,0,0,0,1|2,0,0]=4 237 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 WXVL_AG00183SA0018 [0,1,0,0,0,1|2,0,0]=4 238 B16R2.524 O=C(Cc1ccsc1)Nc2ccccc2 WXVL_AG00183SA0020 [0,1,0,0,0,1|2,0,0]=4 239 B16R2.524 O=C(Cc1ccsc1)Nc2ccccc2 WXVL_AG00183SA0020 [0,1,0,0,0,1|2,0,0]=4 240 B16R2.524 O=C(Cc1cscn1)Nc2ccccc2 WXVL_AG00183SA0012 [0,1,0,0,0,1|1,0,0]=3 241 B16R2.524 O=C(Cc1cscn1)Nc2ccccc2 WXVL_AG00183SA0012 [0,1,0,0,0,1|1,0,0]=3 242 B16R2.524 O=C(Cc1cscn1)Nc2ccccn2 WXVL_AF00298SA0012 [0,1,0,0,0,1|2,0,0]=4 243 B16R2.524 O=C(Cc1cscn1)Nc2ccccn2 WXVL_AF00298SA0012 [0,1,0,0,0,1|2,0,0]=4 244 B16R2.524 O=C(Cn1cccn1)Nc2ccccc2 WXVL_AG00183SA0030 [0,1,0,0,0,1|2,0,0]=4 245 B16R2.524 O=C(Cn1cccn1)Nc2ccccc2 WXVL_AG00183SA0030 [0,1,0,0,0,1|2,0,0]=4 246 B16R2.2238 O=C(NCc1ccccc1)c2c[nH]cn2 WXVL_AK00502SC0074 [0,1,0,0,0,1|0,0,1]=3 247 B16R2.2238 O=C(NCc1ccccc1)c2c[nH]cn2 WXVL_AK00502SC0074 [0,1,0,0,0,1|0,0,1]=3 248 B16R2.2238 O=C(NCc1ccccc1)c2cc[nH]c2 WXVL_AK00502SC0013 [0,1,0,0,0,1|1,0,1]=4 249 B16R2.2238 O=C(NCc1ccccc1)c2cc[nH]c2 WXVL_AK00502SC0013 [0,1,0,0,0,1|1,0,1]=4 250 B16R2.2238 O=C(NCc1ccccc1)c2cocn2 WXVL_AK00502SC0118 [0,1,0,0,0,1|1,0,1]=4 251 B16R2.2238 O=C(NCc1ccccc1)c2cocn2 WXVL_AK00502SC0118 [0,1,0,0,0,1|1,0,1]=4 252 B16R2.2238 O=C(NCc1ccccc1)c2cscn2 WXVL_AK00502SC0092 [0,1,0,0,0,1|1,0,1]=4 253 B16R2.2238 O=C(NCc1ccccc1)c2cscn2 WXVL_AK00502SC0092 [0,1,0,0,0,1|1,0,1]=4 254 B16R2.2238 O=C(NCc1ccccc1)c2nc[nH]n2 WXVL_AK00502SC0376 [0,1,0,0,0,1|1,0,1]=4 255 B16R2.2238 O=C(NCc1ccccc1)c2nc[nH]n2 WXVL_AK00502SC0376 [0,1,0,0,0,1|1,0,1]=4 256 B16R2.2238 O=C(NCc1ccccn1)c2c[nH]cn2 WXVL_AK0018SC0074 [0,1,0,0,0,1|1,0,1]=4 257 B16R2.2238 O=C(NCc1ccccn1)c2c[nH]cn2 WXVL_AK0018SC0074 [0,1,0,0,0,1|1,0,1]=4 258 B16R2.2238 O=C(NCc1cccnc1)c2c[nH]cn2 WXVL_AK0020SC0074 [0,1,0,0,0,1|1,0,1]=4 259 B16R2.2238 O=C(NCc1cccnc1)c2c[nH]cn2 WXVL_AK0020SC0074 [0,1,0,0,0,1|1,0,1]=4 260 B16R2.2238 O=C(NCc1ccncc1)c2c[nH]cn2 WXVL_AK0021SC0074 [0,1,0,0,0,1|1,0,1]=4 261 B16R2.2238 O=C(NCc1ccncc1)c2c[nH]cn2 WXVL_AK0021SC0074 [0,1,0,0,0,1|1,0,1]=4 262 B16R2.5767 O=C(NCc1cc[nH]n1)c2ccccc2 WXVL_AK00156SD0001 [0,1,0,0,0,1|2,0,0]=4 263 B16R2.5767 O=C(NCc1cc[nH]n1)c2ccccc2 WXVL_AK00156SD0001 [0,1,0,0,0,1|2,0,0]=4 264 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 WXVL_AK00759SD0001 [0,1,0,0,0,1|1,0,1]=4 265 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 WXVL_AK00759SD0001 [0,1,0,0,0,1|1,0,1]=4 266 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 WXVL_AK0010SD0001 [0,1,0,0,0,1|2,0,0]=4 267 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 WXVL_AK0010SD0001 [0,1,0,0,0,1|2,0,0]=4 268 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 WXVL_AK0014SD0001 [0,1,0,0,0,1|2,0,0]=4 269 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 WXVL_AK0014SD0001 [0,1,0,0,0,1|2,0,0]=4 270 B16R2.5767 O=C(NCc1ccoc1)c2ccccc2 WXVL_AK2033SD0001 [0,1,0,0,0,1|2,0,0]=4 271 B16R2.5767 O=C(NCc1ccoc1)c2ccccc2 WXVL_AK2033SD0001 [0,1,0,0,0,1|2,0,0]=4 272 B16R2.5767 O=C(NCc1ccsc1)c2ccccc2 WXVL_AK00174SD0001 [0,1,0,0,0,1|2,0,0]=4 273 B16R2.5767 O=C(NCc1ccsc1)c2ccccc2 WXVL_AK00174SD0001 [0,1,0,0,0,1|2,0,0]=4 274 B16R2.5767 O=C(NCc1cn[nH]c1)c2ccccc2 WXVL_AK00625SD0001 [0,1,0,0,0,1|2,0,0]=4 275 B16R2.5767 O=C(NCc1cn[nH]c1)c2ccccc2 WXVL_AK00625SD0001 [0,1,0,0,0,1|2,0,0]=4 276 B16R2.5767 O=C(NCc1cnc[nH]1)c2ccccc2 WXVL_AK00778SD0001 [0,1,0,0,0,1|0,0,2]=4 277 B16R2.5767 O=C(NCc1cnc[nH]1)c2ccccc2 WXVL_AK00778SD0001 [0,1,0,0,0,1|0,0,2]=4 278 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 WXVL_AK1437SD0001 [0,1,0,0,0,1|1,0,1]=4 279 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 WXVL_AK1437SD0001 [0,1,0,0,0,1|1,0,1]=4 280 B16R2.5767 O=C(NCc1cncs1)c2ccccc2 WXVL_AK0526SD0001 [0,1,0,0,0,1|1,0,1]=4 281 B16R2.5767 O=C(NCc1cncs1)c2ccccc2 WXVL_AK0526SD0001 [0,1,0,0,0,1|1,0,1]=4 282 B16R2.5767 O=C(NCc1cocn1)c2ccccc2 WXVL_AK00016SD0001 [0,1,0,0,0,1|1,0,0]=3 283 B16R2.5767 O=C(NCc1cocn1)c2ccccc2 WXVL_AK00016SD0001 [0,1,0,0,0,1|1,0,0]=3 284 B16R2.5767 O=C(NCc1cocn1)c2ccccn2 WXVL_AK00016SC0058 [0,1,0,0,0,1|2,0,0]=4 285 B16R2.5767 O=C(NCc1cocn1)c2ccccn2 WXVL_AK00016SC0058 [0,1,0,0,0,1|2,0,0]=4 286 B16R2.5767 O=C(NCc1cocn1)c2cccnc2 WXVL_AK00016SC0061 [0,1,0,0,0,1|2,0,0]=4 287 B16R2.5767 O=C(NCc1cocn1)c2cccnc2 WXVL_AK00016SC0061 [0,1,0,0,0,1|2,0,0]=4 288 B16R2.5767 O=C(NCc1cocn1)c2ccncc2 WXVL_AK00016SC0062 [0,1,0,0,0,1|2,0,0]=4 289 B16R2.5767 O=C(NCc1cocn1)c2ccncc2 WXVL_AK00016SC0062 [0,1,0,0,0,1|2,0,0]=4 290 B16R2.5767 O=C(NCc1cscn1)c2ccccc2 WXVL_AK0325SD0001 [0,1,0,0,0,1|1,0,0]=3 291 B16R2.5767 O=C(NCc1cscn1)c2ccccc2 WXVL_AK0325SD0001 [0,1,0,0,0,1|1,0,0]=3 292 B16R2.5767 O=C(NCc1cscn1)c2ccccn2 WXVL_AK0325SC0058 [0,1,0,0,0,1|2,0,0]=4 293 B16R2.5767 O=C(NCc1cscn1)c2ccccn2 WXVL_AK0325SC0058 [0,1,0,0,0,1|2,0,0]=4 294 B16R2.5767 O=C(NCc1cscn1)c2cccnc2 WXVL_AK0325SC0061 [0,1,0,0,0,1|2,0,0]=4 295 B16R2.5767 O=C(NCc1cscn1)c2cccnc2 WXVL_AK0325SC0061 [0,1,0,0,0,1|2,0,0]=4 296 B16R2.5767 O=C(NCc1cscn1)c2ccncc2 WXVL_AK0325SC0062 [0,1,0,0,0,1|2,0,0]=4 297 B16R2.5767 O=C(NCc1cscn1)c2ccncc2 WXVL_AK0325SC0062 [0,1,0,0,0,1|2,0,0]=4 298 B16R2.5767 O=C(NCc1nccs1)c2ccccc2 WXVL_AK0153SD0001 [0,1,0,0,0,1|2,0,0]=4 299 B16R2.5767 O=C(NCc1nccs1)c2ccccc2 WXVL_AK0153SD0001 [0,1,0,0,0,1|2,0,0]=4 300 B16R2.5767 O=C(NCc1ncon1)c2ccccc2 WXVL_AK0525SD0001 [0,1,0,0,0,1|2,0,0]=4 301 B16R2.5767 O=C(NCc1ncon1)c2ccccc2 WXVL_AK0525SD0001 [0,1,0,0,0,1|2,0,0]=4 302 B16R2.5767 O=C(NCc1nn[nH]n1)c2ccccc2 WXVL_AK1631SD0001 [0,1,0,0,0,1|2,0,0]=4 303 B16R2.5767 O=C(NCc1nn[nH]n1)c2ccccc2 WXVL_AK1631SD0001 [0,1,0,0,0,1|2,0,0]=4 304 B16R2.3005 Cc1c[nH]cc1C(=O)Nc2ccccc2 WXVL_AG00183SC0251 [0,2,0,0,0,0|1,0,1]=4 305 B16R2.3005 Cc1c[nH]cc1C(=O)Nc2ccccc2 WXVL_AG00183SC0251 [0,2,0,0,0,0|1,0,1]=4 306 B16R2.3005 Cc1ocnc1C(=O)Nc2ccccc2 WXVL_AG00183SC0732 [0,2,0,0,0,0|1,0,1]=4 307 B16R2.3005 Cc1ocnc1C(=O)Nc2ccccc2 WXVL_AG00183SC0732 [0,2,0,0,0,0|1,0,1]=4 308 B16R2.3005 Cc1scnc1C(=O)Nc2ccccc2 WXVL_AG00183SC0722 [0,2,0,0,0,0|1,0,1]=4 309 B16R2.3005 Cc1scnc1C(=O)Nc2ccccc2 WXVL_AG00183SC0722 [0,2,0,0,0,0|1,0,1]=4 310 B16R2.3005 O=C(Nc1ccccc1)c2ncsc2Br WXVL_AG00183SC0192 [0,2,0,0,0,0|1,0,1]=4 311 B16R2.3005 O=C(Nc1ccccc1)c2ncsc2Br WXVL_AG00183SC0192 [0,2,0,0,0,0|1,0,1]=4 312 B16R2.133 Cc1ccc(cn1)NC(=O)c2c[nH]cn2 WXVL_AF0076SC0074 [0,2,0,0,0,0|1,0,1]=4 313 B16R2.133 Cc1ccc(cn1)NC(=O)c2c[nH]cn2 WXVL_AF0076SC0074 [0,2,0,0,0,0|1,0,1]=4 314 B16R2.133 Cc1ccc(nc1)NC(=O)c2c[nH]cn2 WXVL_AF0018SC0074 [0,2,0,0,0,0|1,0,1]=4 315 B16R2.133 Cc1ccc(nc1)NC(=O)c2c[nH]cn2 WXVL_AF0018SC0074 [0,2,0,0,0,0|1,0,1]=4 316 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2c[nH]cn2 WXVL_AG0062SC0074 [0,2,0,0,0,0|0,0,1]=3 317 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2c[nH]cn2 WXVL_AG0062SC0074 [0,2,0,0,0,0|0,0,1]=3 318 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2cc[nH]c2 WXVL_AG0062SC0013 [0,2,0,0,0,0|1,0,1]=4 319 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2cc[nH]c2 WXVL_AG0062SC0013 [0,2,0,0,0,0|1,0,1]=4 320 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2cocn2 WXVL_AG0062SC0118 [0,2,0,0,0,0|1,0,1]=4 321 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2cocn2 WXVL_AG0062SC0118 [0,2,0,0,0,0|1,0,1]=4 322 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2cscn2 WXVL_AG0062SC0092 [0,2,0,0,0,0|1,0,1]=4 323 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2cscn2 WXVL_AG0062SC0092 [0,2,0,0,0,0|1,0,1]=4 324 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2nc[nH]n2 WXVL_AG0062SC0376 [0,2,0,0,0,0|1,0,1]=4 325 B16R2.133 O=C(Nc1ccc(cc1)Cl)c2nc[nH]n2 WXVL_AG0062SC0376 [0,2,0,0,0,0|1,0,1]=4 326 B16R2.133 O=C(Nc1ccc(cc1)I)c2c[nH]cn2 WXVL_AG1742SC0074 [0,2,0,0,0,0|0,0,1]=3 327 B16R2.133 O=C(Nc1ccc(cc1)I)c2c[nH]cn2 WXVL_AG1742SC0074 [0,2,0,0,0,0|0,0,1]=3 328 B16R2.133 O=C(Nc1ccc(cc1)I)c2cc[nH]c2 WXVL_AG1742SC0013 [0,2,0,0,0,0|1,0,1]=4 329 B16R2.133 O=C(Nc1ccc(cc1)I)c2cc[nH]c2 WXVL_AG1742SC0013 [0,2,0,0,0,0|1,0,1]=4 330 B16R2.133 O=C(Nc1ccc(cc1)I)c2cocn2 WXVL_AG1742SC0118 [0,2,0,0,0,0|1,0,1]=4 331 B16R2.133 O=C(Nc1ccc(cc1)I)c2cocn2 WXVL_AG1742SC0118 [0,2,0,0,0,0|1,0,1]=4 332 B16R2.133 O=C(Nc1ccc(cc1)I)c2cscn2 WXVL_AG1742SC0092 [0,2,0,0,0,0|1,0,1]=4 333 B16R2.133 O=C(Nc1ccc(cc1)I)c2cscn2 WXVL_AG1742SC0092 [0,2,0,0,0,0|1,0,1]=4 334 B16R2.133 O=C(Nc1ccc(cc1)I)c2nc[nH]n2 WXVL_AG1742SC0376 [0,2,0,0,0,0|1,0,1]=4 335 B16R2.133 O=C(Nc1ccc(cc1)I)c2nc[nH]n2 WXVL_AG1742SC0376 [0,2,0,0,0,0|1,0,1]=4 336 B16R2.133 O=C(Nc1ccc(cn1)Cl)c2c[nH]cn2 WXVL_AF0017SC0074 [0,2,0,0,0,0|1,0,1]=4 337 B16R2.133 O=C(Nc1ccc(cn1)Cl)c2c[nH]cn2 WXVL_AF0017SC0074 [0,2,0,0,0,0|1,0,1]=4 338 B16R2.133 O=C(Nc1ccc(cn1)O)c2c[nH]cn2 WXVL_AF3250SC0074 [0,2,0,0,0,0|1,0,1]=4 339 B16R2.133 O=C(Nc1ccc(cn1)O)c2c[nH]cn2 WXVL_AF3250SC0074 [0,2,0,0,0,0|1,0,1]=4 340 B16R2.133 O=C(Nc1ccc(nc1)Br)c2c[nH]cn2 WXVL_AF0320SC0074 [0,2,0,0,0,0|1,0,1]=4 341 B16R2.133 O=C(Nc1ccc(nc1)Br)c2c[nH]cn2 WXVL_AF0320SC0074 [0,2,0,0,0,0|1,0,1]=4 342 B16R2.133 O=C(Nc1ccc(nc1)Cl)c2c[nH]cn2 WXVL_AF0323SC0074 [0,2,0,0,0,0|1,0,1]=4 343 B16R2.133 O=C(Nc1ccc(nc1)Cl)c2c[nH]cn2 WXVL_AF0323SC0074 [0,2,0,0,0,0|1,0,1]=4 344 B16R2.133 O=C(Nc1ccc(nc1)F)c2c[nH]cn2 WXVL_AF0400SC0074 [0,2,0,0,0,0|1,0,1]=4 345 B16R2.133 O=C(Nc1ccc(nc1)F)c2c[nH]cn2 WXVL_AF0400SC0074 [0,2,0,0,0,0|1,0,1]=4 346 B16R2.133 O=C(Nc1ccc(nc1)I)c2c[nH]cn2 WXVL_AF1228SC0074 [0,2,0,0,0,0|1,0,1]=4 347 B16R2.133 O=C(Nc1ccc(nc1)I)c2c[nH]cn2 WXVL_AF1228SC0074 [0,2,0,0,0,0|1,0,1]=4 348 B16R2.133 O=C(Nc1ccc(nc1)O)c2c[nH]cn2 WXVL_AF0322SC0074 [0,2,0,0,0,0|1,0,1]=4 349 B16R2.133 O=C(Nc1ccc(nc1)O)c2c[nH]cn2 WXVL_AF0322SC0074 [0,2,0,0,0,0|1,0,1]=4 350 B16R2.253 Cc1cccc(c1)NC(=O)c2c[nH]cn2 WXVL_AG0052SC0074 [0,2,0,0,0,0|0,0,1]=3 351 B16R2.253 Cc1cccc(c1)NC(=O)c2c[nH]cn2 WXVL_AG0052SC0074 [0,2,0,0,0,0|0,0,1]=3 352 B16R2.253 Cc1cccc(c1)NC(=O)c2cc[nH]c2 WXVL_AG0052SC0013 [0,2,0,0,0,0|1,0,1]=4 353 B16R2.253 Cc1cccc(c1)NC(=O)c2cc[nH]c2 WXVL_AG0052SC0013 [0,2,0,0,0,0|1,0,1]=4 354 B16R2.253 Cc1cccc(c1)NC(=O)c2cocn2 WXVL_AG0052SC0118 [0,2,0,0,0,0|1,0,1]=4 355 B16R2.253 Cc1cccc(c1)NC(=O)c2cocn2 WXVL_AG0052SC0118 [0,2,0,0,0,0|1,0,1]=4 356 B16R2.253 Cc1cccc(c1)NC(=O)c2cscn2 WXVL_AG0052SC0092 [0,2,0,0,0,0|1,0,1]=4 357 B16R2.253 Cc1cccc(c1)NC(=O)c2cscn2 WXVL_AG0052SC0092 [0,2,0,0,0,0|1,0,1]=4 358 B16R2.253 Cc1cccc(c1)NC(=O)c2nc[nH]n2 WXVL_AG0052SC0376 [0,2,0,0,0,0|1,0,1]=4 359 B16R2.253 Cc1cccc(c1)NC(=O)c2nc[nH]n2 WXVL_AG0052SC0376 [0,2,0,0,0,0|1,0,1]=4 360 B16R2.253 Cc1cccc(n1)NC(=O)c2c[nH]cn2 WXVL_AF0019SC0074 [0,2,0,0,0,0|1,0,1]=4 361 B16R2.253 Cc1cccc(n1)NC(=O)c2c[nH]cn2 WXVL_AF0019SC0074 [0,2,0,0,0,0|1,0,1]=4 362 B16R2.253 Cc1cncc(c1)NC(=O)c2c[nH]cn2 WXVL_AF0136SC0074 [0,2,0,0,0,0|1,0,1]=4 363 B16R2.253 Cc1cncc(c1)NC(=O)c2c[nH]cn2 WXVL_AF0136SC0074 [0,2,0,0,0,0|1,0,1]=4 364 B16R2.253 O=C(Nc1cc(ccn1)Cl)c2c[nH]cn2 WXVL_AF3296SC0074 [0,2,0,0,0,0|1,0,1]=4 365 B16R2.253 O=C(Nc1cc(ccn1)Cl)c2c[nH]cn2 WXVL_AF3296SC0074 [0,2,0,0,0,0|1,0,1]=4 366 B16R2.253 O=C(Nc1cc(ccn1)F)c2c[nH]cn2 WXVL_AF0152SC0074 [0,2,0,0,0,0|1,0,1]=4 367 B16R2.253 O=C(Nc1cc(ccn1)F)c2c[nH]cn2 WXVL_AF0152SC0074 [0,2,0,0,0,0|1,0,1]=4 368 B16R2.253 O=C(Nc1cc(ccn1)O)c2c[nH]cn2 WXVL_AF3303SC0074 [0,2,0,0,0,0|1,0,1]=4 369 B16R2.253 O=C(Nc1cc(ccn1)O)c2c[nH]cn2 WXVL_AF3303SC0074 [0,2,0,0,0,0|1,0,1]=4 370 B16R2.253 O=C(Nc1cc[nH]c(=O)c1)c2c[nH]cn2 WXVL_AK8414SC0074 [0,2,0,0,0,0|1,0,1]=4 371 B16R2.253 O=C(Nc1cc[nH]c(=O)c1)c2c[nH]cn2 WXVL_AK8414SC0074 [0,2,0,0,0,0|1,0,1]=4 372 B16R2.253 O=C(Nc1cccc(c1)I)c2c[nH]cn2 WXVL_AG0649SC0074 [0,2,0,0,0,0|0,0,1]=3 373 B16R2.253 O=C(Nc1cccc(c1)I)c2c[nH]cn2 WXVL_AG0649SC0074 [0,2,0,0,0,0|0,0,1]=3 374 B16R2.253 O=C(Nc1cccc(c1)I)c2cc[nH]c2 WXVL_AG0649SC0013 [0,2,0,0,0,0|1,0,1]=4 375 B16R2.253 O=C(Nc1cccc(c1)I)c2cc[nH]c2 WXVL_AG0649SC0013 [0,2,0,0,0,0|1,0,1]=4 376 B16R2.253 O=C(Nc1cccc(c1)I)c2cocn2 WXVL_AG0649SC0118 [0,2,0,0,0,0|1,0,1]=4 377 B16R2.253 O=C(Nc1cccc(c1)I)c2cocn2 WXVL_AG0649SC0118 [0,2,0,0,0,0|1,0,1]=4 378 B16R2.253 O=C(Nc1cccc(c1)I)c2cscn2 WXVL_AG0649SC0092 [0,2,0,0,0,0|1,0,1]=4 379 B16R2.253 O=C(Nc1cccc(c1)I)c2cscn2 WXVL_AG0649SC0092 [0,2,0,0,0,0|1,0,1]=4 380 B16R2.253 O=C(Nc1cccc(c1)I)c2nc[nH]n2 WXVL_AG0649SC0376 [0,2,0,0,0,0|1,0,1]=4 381 B16R2.253 O=C(Nc1cccc(c1)I)c2nc[nH]n2 WXVL_AG0649SC0376 [0,2,0,0,0,0|1,0,1]=4 382 B16R2.253 O=C(Nc1cccc(c1)O)c2c[nH]cn2 WXVL_AG00200SC0074 [0,2,0,0,0,0|0,0,1]=3 383 B16R2.253 O=C(Nc1cccc(c1)O)c2c[nH]cn2 WXVL_AG00200SC0074 [0,2,0,0,0,0|0,0,1]=3 384 B16R2.253 O=C(Nc1cccc(c1)O)c2cc[nH]c2 WXVL_AG00200SC0013 [0,2,0,0,0,0|1,0,1]=4 385 B16R2.253 O=C(Nc1cccc(c1)O)c2cc[nH]c2 WXVL_AG00200SC0013 [0,2,0,0,0,0|1,0,1]=4 386 B16R2.253 O=C(Nc1cccc(c1)O)c2cocn2 WXVL_AG00200SC0118 [0,2,0,0,0,0|1,0,1]=4 387 B16R2.253 O=C(Nc1cccc(c1)O)c2cocn2 WXVL_AG00200SC0118 [0,2,0,0,0,0|1,0,1]=4 388 B16R2.253 O=C(Nc1cccc(c1)O)c2cscn2 WXVL_AG00200SC0092 [0,2,0,0,0,0|1,0,1]=4 389 B16R2.253 O=C(Nc1cccc(c1)O)c2cscn2 WXVL_AG00200SC0092 [0,2,0,0,0,0|1,0,1]=4 390 B16R2.253 O=C(Nc1cccc(c1)O)c2nc[nH]n2 WXVL_AG00200SC0376 [0,2,0,0,0,0|1,0,1]=4 391 B16R2.253 O=C(Nc1cccc(c1)O)c2nc[nH]n2 WXVL_AG00200SC0376 [0,2,0,0,0,0|1,0,1]=4 392 B16R2.253 O=C(Nc1cccc(n1)Br)c2c[nH]cn2 WXVL_AF0038SC0074 [0,2,0,0,0,0|1,0,1]=4 393 B16R2.253 O=C(Nc1cccc(n1)Br)c2c[nH]cn2 WXVL_AF0038SC0074 [0,2,0,0,0,0|1,0,1]=4 394 B16R2.253 O=C(Nc1cccc(n1)Cl)c2c[nH]cn2 WXVL_AF0312SC0074 [0,2,0,0,0,0|1,0,1]=4 395 B16R2.253 O=C(Nc1cccc(n1)Cl)c2c[nH]cn2 WXVL_AF0312SC0074 [0,2,0,0,0,0|1,0,1]=4 396 B16R2.253 O=C(Nc1cccc(n1)F)c2c[nH]cn2 WXVL_AF0307SC0074 [0,2,0,0,0,0|1,0,1]=4 397 B16R2.253 O=C(Nc1cccc(n1)F)c2c[nH]cn2 WXVL_AF0307SC0074 [0,2,0,0,0,0|1,0,1]=4 398 B16R2.253 O=C(Nc1cccc(n1)I)c2c[nH]cn2 WXVL_AF0430SC0074 [0,2,0,0,0,0|1,0,1]=4 399 B16R2.253 O=C(Nc1cccc(n1)I)c2c[nH]cn2 WXVL_AF0430SC0074 [0,2,0,0,0,0|1,0,1]=4 400 B16R2.253 O=C(Nc1cccc(n1)O)c2c[nH]cn2 WXVL_AF2469SC0074 [0,2,0,0,0,0|1,0,1]=4 401 B16R2.253 O=C(Nc1cccc(n1)O)c2c[nH]cn2 WXVL_AF2469SC0074 [0,2,0,0,0,0|1,0,1]=4 402 B16R2.253 O=C(Nc1ccnc(c1)Br)c2c[nH]cn2 WXVL_AF0395SC0074 [0,2,0,0,0,0|1,0,1]=4 403 B16R2.253 O=C(Nc1ccnc(c1)Br)c2c[nH]cn2 WXVL_AF0395SC0074 [0,2,0,0,0,0|1,0,1]=4 404 B16R2.253 O=C(Nc1ccnc(c1)Cl)c2c[nH]cn2 WXVL_AF0319SC0074 [0,2,0,0,0,0|1,0,1]=4 405 B16R2.253 O=C(Nc1ccnc(c1)Cl)c2c[nH]cn2 WXVL_AF0319SC0074 [0,2,0,0,0,0|1,0,1]=4 406 B16R2.253 O=C(Nc1ccnc(c1)F)c2c[nH]cn2 WXVL_AF0676SC0074 [0,2,0,0,0,0|1,0,1]=4 407 B16R2.253 O=C(Nc1ccnc(c1)F)c2c[nH]cn2 WXVL_AF0676SC0074 [0,2,0,0,0,0|1,0,1]=4 408 B16R2.253 O=C(Nc1ccnc(c1)O)c2c[nH]cn2 WXVL_AF0326SC0074 [0,2,0,0,0,0|1,0,1]=4 409 B16R2.253 O=C(Nc1ccnc(c1)O)c2c[nH]cn2 WXVL_AF0326SC0074 [0,2,0,0,0,0|1,0,1]=4 410 B16R2.253 O=C(Nc1cncc(c1)Br)c2c[nH]cn2 WXVL_AF0318SC0074 [0,2,0,0,0,0|1,0,1]=4 411 B16R2.253 O=C(Nc1cncc(c1)Br)c2c[nH]cn2 WXVL_AF0318SC0074 [0,2,0,0,0,0|1,0,1]=4 412 B16R2.253 O=C(Nc1cncc(c1)Cl)c2c[nH]cn2 WXVL_AF0629SC0074 [0,2,0,0,0,0|1,0,1]=4 413 B16R2.253 O=C(Nc1cncc(c1)Cl)c2c[nH]cn2 WXVL_AF0629SC0074 [0,2,0,0,0,0|1,0,1]=4 414 B16R2.253 O=C(Nc1cncc(c1)F)c2c[nH]cn2 WXVL_AF0342SC0074 [0,2,0,0,0,0|1,0,1]=4 415 B16R2.253 O=C(Nc1cncc(c1)F)c2c[nH]cn2 WXVL_AF0342SC0074 [0,2,0,0,0,0|1,0,1]=4 416 B16R2.253 O=C(Nc1cncc(c1)O)c2c[nH]cn2 WXVL_AF0659SC0074 [0,2,0,0,0,0|1,0,1]=4 417 B16R2.253 O=C(Nc1cncc(c1)O)c2c[nH]cn2 WXVL_AF0659SC0074 [0,2,0,0,0,0|1,0,1]=4 418 B16R2.2843 Cc1cc(c[nH]1)C(=O)Nc2ccccc2 WXVL_AG00183SC0298 [0,2,0,0,0,0|1,0,1]=4 419 B16R2.2843 Cc1cc(c[nH]1)C(=O)Nc2ccccc2 WXVL_AG00183SC0298 [0,2,0,0,0,0|1,0,1]=4 420 B16R2.2843 Cc1nc(c[nH]1)C(=O)Nc2ccccc2 WXVL_AG00183SC0009 [0,2,0,0,0,0|0,0,1]=3 421 B16R2.2843 Cc1nc(c[nH]1)C(=O)Nc2ccccc2 WXVL_AG00183SC0009 [0,2,0,0,0,0|0,0,1]=3 422 B16R2.2843 Cc1nc(c[nH]1)C(=O)Nc2ccccn2 WXVL_AF00298SC0009 [0,2,0,0,0,0|1,0,1]=4 423 B16R2.2843 Cc1nc(c[nH]1)C(=O)Nc2ccccn2 WXVL_AF00298SC0009 [0,2,0,0,0,0|1,0,1]=4 424 B16R2.2843 Cc1nc(co1)C(=O)Nc2ccccc2 WXVL_AG00183SC0086 [0,2,0,0,0,0|1,0,1]=4 425 B16R2.2843 Cc1nc(co1)C(=O)Nc2ccccc2 WXVL_AG00183SC0086 [0,2,0,0,0,0|1,0,1]=4 426 B16R2.2843 Cc1nc(cs1)C(=O)Nc2ccccc2 WXVL_AG00183SC0112 [0,2,0,0,0,0|1,0,1]=4 427 B16R2.2843 Cc1nc(cs1)C(=O)Nc2ccccc2 WXVL_AG00183SC0112 [0,2,0,0,0,0|1,0,1]=4 428 B16R2.2843 Cn1ccc(c1)C(=O)Nc2ccccc2 WXVL_AG00183SC0038 [0,2,0,0,0,0|1,0,1]=4 429 B16R2.2843 Cn1ccc(c1)C(=O)Nc2ccccc2 WXVL_AG00183SC0038 [0,2,0,0,0,0|1,0,1]=4 430 B16R2.2843 Cn1cnc(c1)C(=O)Nc2ccccc2 WXVL_AG00183SC0111 [0,2,0,0,0,0|0,0,1]=3 431 B16R2.2843 Cn1cnc(c1)C(=O)Nc2ccccc2 WXVL_AG00183SC0111 [0,2,0,0,0,0|0,0,1]=3 432 B16R2.2843 Cn1cnc(c1)C(=O)Nc2ccccn2 WXVL_AF00298SC0111 [0,2,0,0,0,0|1,0,1]=4 433 B16R2.2843 Cn1cnc(c1)C(=O)Nc2ccccn2 WXVL_AF00298SC0111 [0,2,0,0,0,0|1,0,1]=4 434 B16R2.2843 O=C(Nc1ccccc1)c2coc(n2)Cl WXVL_AG00183SC1341 [0,2,0,0,0,0|1,0,1]=4 435 B16R2.2843 O=C(Nc1ccccc1)c2coc(n2)Cl WXVL_AG00183SC1341 [0,2,0,0,0,0|1,0,1]=4 436 B16R2.2843 O=C(Nc1ccccc1)c2csc(n2)Cl WXVL_AG00183SC0688 [0,2,0,0,0,0|1,0,1]=4 437 B16R2.2843 O=C(Nc1ccccc1)c2csc(n2)Cl WXVL_AG00183SC0688 [0,2,0,0,0,0|1,0,1]=4 438 B16R2.2957 Cc1ccccc1NC(=O)c2c[nH]cn2 WXVL_AG0027SC0074 [0,2,0,0,0,0|0,0,1]=3 439 B16R2.2957 Cc1ccccc1NC(=O)c2c[nH]cn2 WXVL_AG0027SC0074 [0,2,0,0,0,0|0,0,1]=3 440 B16R2.2957 Cc1ccccc1NC(=O)c2cc[nH]c2 WXVL_AG0027SC0013 [0,2,0,0,0,0|1,0,1]=4 441 B16R2.2957 Cc1ccccc1NC(=O)c2cc[nH]c2 WXVL_AG0027SC0013 [0,2,0,0,0,0|1,0,1]=4 442 B16R2.2957 Cc1ccccc1NC(=O)c2cocn2 WXVL_AG0027SC0118 [0,2,0,0,0,0|1,0,1]=4 443 B16R2.2957 Cc1ccccc1NC(=O)c2cocn2 WXVL_AG0027SC0118 [0,2,0,0,0,0|1,0,1]=4 444 B16R2.2957 Cc1ccccc1NC(=O)c2cscn2 WXVL_AG0027SC0092 [0,2,0,0,0,0|1,0,1]=4 445 B16R2.2957 Cc1ccccc1NC(=O)c2cscn2 WXVL_AG0027SC0092 [0,2,0,0,0,0|1,0,1]=4 446 B16R2.2957 Cc1ccccc1NC(=O)c2nc[nH]n2 WXVL_AG0027SC0376 [0,2,0,0,0,0|1,0,1]=4 447 B16R2.2957 Cc1ccccc1NC(=O)c2nc[nH]n2 WXVL_AG0027SC0376 [0,2,0,0,0,0|1,0,1]=4 448 B16R2.2957 Cc1cccnc1NC(=O)c2c[nH]cn2 WXVL_AF0013SC0074 [0,2,0,0,0,0|1,0,1]=4 449 B16R2.2957 Cc1cccnc1NC(=O)c2c[nH]cn2 WXVL_AF0013SC0074 [0,2,0,0,0,0|1,0,1]=4 450 B16R2.2957 Cc1ccncc1NC(=O)c2c[nH]cn2 WXVL_AF0075SC0074 [0,2,0,0,0,0|1,0,1]=4 451 B16R2.2957 Cc1ccncc1NC(=O)c2c[nH]cn2 WXVL_AF0075SC0074 [0,2,0,0,0,0|1,0,1]=4 452 B16R2.2957 Cc1cnccc1NC(=O)c2c[nH]cn2 WXVL_AF0049SC0074 [0,2,0,0,0,0|1,0,1]=4 453 B16R2.2957 Cc1cnccc1NC(=O)c2c[nH]cn2 WXVL_AF0049SC0074 [0,2,0,0,0,0|1,0,1]=4 454 B16R2.2957 Cc1ncccc1NC(=O)c2c[nH]cn2 WXVL_AF0055SC0074 [0,2,0,0,0,0|1,0,1]=4 455 B16R2.2957 Cc1ncccc1NC(=O)c2c[nH]cn2 WXVL_AF0055SC0074 [0,2,0,0,0,0|1,0,1]=4 456 B16R2.2957 O=C(Nc1ccccc1Br)c2c[nH]cn2 WXVL_AG00180SC0074 [0,2,0,0,0,0|0,0,1]=3 457 B16R2.2957 O=C(Nc1ccccc1Br)c2c[nH]cn2 WXVL_AG00180SC0074 [0,2,0,0,0,0|0,0,1]=3 458 B16R2.2957 O=C(Nc1ccccc1Br)c2cc[nH]c2 WXVL_AG00180SC0013 [0,2,0,0,0,0|1,0,1]=4 459 B16R2.2957 O=C(Nc1ccccc1Br)c2cc[nH]c2 WXVL_AG00180SC0013 [0,2,0,0,0,0|1,0,1]=4 460 B16R2.2957 O=C(Nc1ccccc1Br)c2cocn2 WXVL_AG00180SC0118 [0,2,0,0,0,0|1,0,1]=4 461 B16R2.2957 O=C(Nc1ccccc1Br)c2cocn2 WXVL_AG00180SC0118 [0,2,0,0,0,0|1,0,1]=4 462 B16R2.2957 O=C(Nc1ccccc1Br)c2cscn2 WXVL_AG00180SC0092 [0,2,0,0,0,0|1,0,1]=4 463 B16R2.2957 O=C(Nc1ccccc1Br)c2cscn2 WXVL_AG00180SC0092 [0,2,0,0,0,0|1,0,1]=4 464 B16R2.2957 O=C(Nc1ccccc1Br)c2nc[nH]n2 WXVL_AG00180SC0376 [0,2,0,0,0,0|1,0,1]=4 465 B16R2.2957 O=C(Nc1ccccc1Br)c2nc[nH]n2 WXVL_AG00180SC0376 [0,2,0,0,0,0|1,0,1]=4 466 B16R2.2957 O=C(Nc1ccccc1Cl)c2c[nH]cn2 WXVL_AG00129SC0074 [0,2,0,0,0,0|0,0,1]=3 467 B16R2.2957 O=C(Nc1ccccc1Cl)c2c[nH]cn2 WXVL_AG00129SC0074 [0,2,0,0,0,0|0,0,1]=3 468 B16R2.2957 O=C(Nc1ccccc1Cl)c2cc[nH]c2 WXVL_AG00129SC0013 [0,2,0,0,0,0|1,0,1]=4 469 B16R2.2957 O=C(Nc1ccccc1Cl)c2cc[nH]c2 WXVL_AG00129SC0013 [0,2,0,0,0,0|1,0,1]=4 470 B16R2.2957 O=C(Nc1ccccc1Cl)c2cocn2 WXVL_AG00129SC0118 [0,2,0,0,0,0|1,0,1]=4 471 B16R2.2957 O=C(Nc1ccccc1Cl)c2cocn2 WXVL_AG00129SC0118 [0,2,0,0,0,0|1,0,1]=4 472 B16R2.2957 O=C(Nc1ccccc1Cl)c2cscn2 WXVL_AG00129SC0092 [0,2,0,0,0,0|1,0,1]=4 473 B16R2.2957 O=C(Nc1ccccc1Cl)c2cscn2 WXVL_AG00129SC0092 [0,2,0,0,0,0|1,0,1]=4 474 B16R2.2957 O=C(Nc1ccccc1Cl)c2nc[nH]n2 WXVL_AG00129SC0376 [0,2,0,0,0,0|1,0,1]=4 475 B16R2.2957 O=C(Nc1ccccc1Cl)c2nc[nH]n2 WXVL_AG00129SC0376 [0,2,0,0,0,0|1,0,1]=4 476 B16R2.2957 O=C(Nc1ccccc1I)c2c[nH]cn2 WXVL_AG0385SC0074 [0,2,0,0,0,0|0,0,1]=3 477 B16R2.2957 O=C(Nc1ccccc1I)c2c[nH]cn2 WXVL_AG0385SC0074 [0,2,0,0,0,0|0,0,1]=3 478 B16R2.2957 O=C(Nc1ccccc1I)c2cc[nH]c2 WXVL_AG0385SC0013 [0,2,0,0,0,0|1,0,1]=4 479 B16R2.2957 O=C(Nc1ccccc1I)c2cc[nH]c2 WXVL_AG0385SC0013 [0,2,0,0,0,0|1,0,1]=4 480 B16R2.2957 O=C(Nc1ccccc1I)c2cocn2 WXVL_AG0385SC0118 [0,2,0,0,0,0|1,0,1]=4 481 B16R2.2957 O=C(Nc1ccccc1I)c2cocn2 WXVL_AG0385SC0118 [0,2,0,0,0,0|1,0,1]=4 482 B16R2.2957 O=C(Nc1ccccc1I)c2cscn2 WXVL_AG0385SC0092 [0,2,0,0,0,0|1,0,1]=4 483 B16R2.2957 O=C(Nc1ccccc1I)c2cscn2 WXVL_AG0385SC0092 [0,2,0,0,0,0|1,0,1]=4 484 B16R2.2957 O=C(Nc1ccccc1I)c2nc[nH]n2 WXVL_AG0385SC0376 [0,2,0,0,0,0|1,0,1]=4 485 B16R2.2957 O=C(Nc1ccccc1I)c2nc[nH]n2 WXVL_AG0385SC0376 [0,2,0,0,0,0|1,0,1]=4 486 B16R2.2957 O=C(Nc1cccnc1Br)c2c[nH]cn2 WXVL_AF0399SC0074 [0,2,0,0,0,0|1,0,1]=4 487 B16R2.2957 O=C(Nc1cccnc1Br)c2c[nH]cn2 WXVL_AF0399SC0074 [0,2,0,0,0,0|1,0,1]=4 488 B16R2.2957 O=C(Nc1cccnc1Cl)c2c[nH]cn2 WXVL_AF0009SC0074 [0,2,0,0,0,0|1,0,1]=4 489 B16R2.2957 O=C(Nc1cccnc1Cl)c2c[nH]cn2 WXVL_AF0009SC0074 [0,2,0,0,0,0|1,0,1]=4 490 B16R2.2957 O=C(Nc1cccnc1F)c2c[nH]cn2 WXVL_AF0419SC0074 [0,2,0,0,0,0|1,0,1]=4 491 B16R2.2957 O=C(Nc1cccnc1F)c2c[nH]cn2 WXVL_AF0419SC0074 [0,2,0,0,0,0|1,0,1]=4 492 B16R2.2957 O=C(Nc1cccnc1I)c2c[nH]cn2 WXVL_AF0681SC0074 [0,2,0,0,0,0|1,0,1]=4 493 B16R2.2957 O=C(Nc1cccnc1I)c2c[nH]cn2 WXVL_AF0681SC0074 [0,2,0,0,0,0|1,0,1]=4 494 B16R2.2957 O=C(Nc1cccnc1O)c2c[nH]cn2 WXVL_AF0440SC0074 [0,2,0,0,0,0|1,0,1]=4 495 B16R2.2957 O=C(Nc1cccnc1O)c2c[nH]cn2 WXVL_AF0440SC0074 [0,2,0,0,0,0|1,0,1]=4 496 B16R2.2957 O=C(Nc1ccncc1Cl)c2c[nH]cn2 WXVL_AF3285SC0074 [0,2,0,0,0,0|1,0,1]=4 497 B16R2.2957 O=C(Nc1ccncc1Cl)c2c[nH]cn2 WXVL_AF3285SC0074 [0,2,0,0,0,0|1,0,1]=4 498 B16R2.2957 O=C(Nc1ccncc1F)c2c[nH]cn2 WXVL_AF2713SC0074 [0,2,0,0,0,0|1,0,1]=4 499 B16R2.2957 O=C(Nc1ccncc1F)c2c[nH]cn2 WXVL_AF2713SC0074 [0,2,0,0,0,0|1,0,1]=4 500 B16R2.2957 O=C(Nc1ccncc1O)c2c[nH]cn2 WXVL_AF0234SC0074 [0,2,0,0,0,0|1,0,1]=4 501 B16R2.2957 O=C(Nc1ccncc1O)c2c[nH]cn2 WXVL_AF0234SC0074 [0,2,0,0,0,0|1,0,1]=4 502 B16R2.2957 O=C(Nc1cnccc1Br)c2c[nH]cn2 WXVL_AF1085SC0074 [0,2,0,0,0,0|1,0,1]=4 503 B16R2.2957 O=C(Nc1cnccc1Br)c2c[nH]cn2 WXVL_AF1085SC0074 [0,2,0,0,0,0|1,0,1]=4 504 B16R2.2957 O=C(Nc1cnccc1Cl)c2c[nH]cn2 WXVL_AF0294SC0074 [0,2,0,0,0,0|1,0,1]=4 505 B16R2.2957 O=C(Nc1cnccc1Cl)c2c[nH]cn2 WXVL_AF0294SC0074 [0,2,0,0,0,0|1,0,1]=4 506 B16R2.2957 O=C(Nc1cnccc1I)c2c[nH]cn2 WXVL_AF0133SC0074 [0,2,0,0,0,0|1,0,1]=4 507 B16R2.2957 O=C(Nc1cnccc1I)c2c[nH]cn2 WXVL_AF0133SC0074 [0,2,0,0,0,0|1,0,1]=4 508 B16R2.2957 O=C(Nc1ncccc1Br)c2c[nH]cn2 WXVL_AF0053SC0074 [0,2,0,0,0,0|1,0,1]=4 509 B16R2.2957 O=C(Nc1ncccc1Br)c2c[nH]cn2 WXVL_AF0053SC0074 [0,2,0,0,0,0|1,0,1]=4 510 B16R2.2957 O=C(Nc1ncccc1Cl)c2c[nH]cn2 WXVL_AF1147SC0074 [0,2,0,0,0,0|1,0,1]=4 511 B16R2.2957 O=C(Nc1ncccc1Cl)c2c[nH]cn2 WXVL_AF1147SC0074 [0,2,0,0,0,0|1,0,1]=4 512 B16R2.2957 O=C(Nc1ncccc1F)c2c[nH]cn2 WXVL_AF0321SC0074 [0,2,0,0,0,0|1,0,1]=4 513 B16R2.2957 O=C(Nc1ncccc1F)c2c[nH]cn2 WXVL_AF0321SC0074 [0,2,0,0,0,0|1,0,1]=4 514 B16R2.2957 O=C(Nc1ncccc1I)c2c[nH]cn2 WXVL_AF0298SC0074 [0,2,0,0,0,0|1,0,1]=4 515 B16R2.2957 O=C(Nc1ncccc1I)c2c[nH]cn2 WXVL_AF0298SC0074 [0,2,0,0,0,0|1,0,1]=4 516 B16R2.2957 O=C(Nc1ncccc1O)c2c[nH]cn2 WXVL_AF0347SC0074 [0,2,0,0,0,0|1,0,1]=4 517 B16R2.2957 O=C(Nc1ncccc1O)c2c[nH]cn2 WXVL_AF0347SC0074 [0,2,0,0,0,0|1,0,1]=4 518 B16R2.137 Cc1cnc(nc1)NCc2cn(cn2)C WXVL_AK00449LP0025 [0,2,0,0,0,0|2,0,0]=4 519 B16R2.137 Cc1cnc(nc1)NCc2cn(cn2)C WXVL_AK00449LP0025 [0,2,0,0,0,0|2,0,0]=4 520 B16R2.137 Cn1cnc(c1)CNc2ncc(cn2)Br WXVL_AK00449LQ1546 [0,2,0,0,0,0|2,0,0]=4 521 B16R2.137 Cn1cnc(c1)CNc2ncc(cn2)Br WXVL_AK00449LQ1546 [0,2,0,0,0,0|2,0,0]=4 522 B16R2.137 Cn1cnc(c1)CNc2ncc(cn2)F WXVL_AK00449LP0017 [0,2,0,0,0,0|2,0,0]=4 523 B16R2.137 Cn1cnc(c1)CNc2ncc(cn2)F WXVL_AK00449LP0017 [0,2,0,0,0,0|2,0,0]=4 524 B16R2.137 Cn1cnc(c1)CNc2ncc(cn2)I WXVL_AK00449LP3340 [0,2,0,0,0,0|2,0,0]=4 525 B16R2.137 Cn1cnc(c1)CNc2ncc(cn2)I WXVL_AK00449LP3340 [0,2,0,0,0,0|2,0,0]=4 526 B16R2.258 Cc1cc(ncn1)NCc2cn(cn2)C WXVL_AK00449LP0109 [0,2,0,0,0,0|2,0,0]=4 527 B16R2.258 Cc1cc(ncn1)NCc2cn(cn2)C WXVL_AK00449LP0109 [0,2,0,0,0,0|2,0,0]=4 528 B16R2.258 Cc1ccnc(n1)NCc2cn(cn2)C WXVL_AK00449LP0007 [0,2,0,0,0,0|2,0,0]=4 529 B16R2.258 Cc1ccnc(n1)NCc2cn(cn2)C WXVL_AK00449LP0007 [0,2,0,0,0,0|2,0,0]=4 530 B16R2.258 Cc1nccc(n1)NCc2cn(cn2)C WXVL_AK00449LP0556 [0,2,0,0,0,0|2,0,0]=4 531 B16R2.258 Cc1nccc(n1)NCc2cn(cn2)C WXVL_AK00449LP0556 [0,2,0,0,0,0|2,0,0]=4 532 B16R2.258 Cn1cnc(c1)CNc2ccnc(n2)Br WXVL_AK00449LQ4646 [0,2,0,0,0,0|2,0,0]=4 533 B16R2.258 Cn1cnc(c1)CNc2ccnc(n2)Br WXVL_AK00449LQ4646 [0,2,0,0,0,0|2,0,0]=4 534 B16R2.258 Cn1cnc(c1)CNc2nccc(n2)Br WXVL_AK00449LQ3192 [0,2,0,0,0,0|2,0,0]=4 535 B16R2.258 Cn1cnc(c1)CNc2nccc(n2)Br WXVL_AK00449LQ3192 [0,2,0,0,0,0|2,0,0]=4 536 B16R2.2829 Cn1cnc(c1)NC(=O)c2ccccc2 WXVL_AF0086SD0001 [0,2,0,0,0,0|2,0,0]=4 537 B16R2.2829 Cn1cnc(c1)NC(=O)c2ccccc2 WXVL_AF0086SD0001 [0,2,0,0,0,0|2,0,0]=4 538 B16R2.11414 Cc1cncnc1NCc2cn(cn2)C WXVL_AK00449LP0053 [0,2,0,0,0,0|2,0,0]=4 539 B16R2.11414 Cc1cncnc1NCc2cn(cn2)C WXVL_AK00449LP0053 [0,2,0,0,0,0|2,0,0]=4 540 B16R2.11414 Cn1cnc(c1)CNc2ncncc2Br WXVL_AK00449LQ2111 [0,2,0,0,0,0|2,0,0]=4 541 B16R2.11414 Cn1cnc(c1)CNc2ncncc2Br WXVL_AK00449LQ2111 [0,2,0,0,0,0|2,0,0]=4 542 B16R2.11414 Cn1cnc(c1)CNc2ncncc2F WXVL_AK00449LP0435 [0,2,0,0,0,0|2,0,0]=4 543 B16R2.11414 Cn1cnc(c1)CNc2ncncc2F WXVL_AK00449LP0435 [0,2,0,0,0,0|2,0,0]=4 544 B16R2.11414 Cn1cnc(c1)CNc2ncncc2I WXVL_AK00449LP3348 [0,2,0,0,0,0|2,0,0]=4 545 B16R2.11414 Cn1cnc(c1)CNc2ncncc2I WXVL_AK00449LP3348 [0,2,0,0,0,0|2,0,0]=4 546 B14R2.6 c1ccc(cc1)Nc2ccncn2 WXVL_AG00183LP3358 [0,0,1,1,0,0|0,0,2]=4 547 B14R2.6 c1ccc(cc1)Nc2ccncn2 WXVL_AG00183LP3358 [0,0,1,1,0,0|0,0,2]=4 548 B16R3.8 c1ccc2c(c[nH]c2c1)c3nc[nH]n3 WXVL_LR0419BT4853 [0,0,0,1,0,1|1,0,1]=4 549 B16R3.5925 c1ccc2[nH]c(cc2c1)c3nc[nH]n3 WXVL_LR0419BT2192 [0,1,0,1,0,0|1,0,1]=4 550 B16R3.5925 c1ccc2[nH]c(nc2c1)c3cc[nH]c3 WXVL_LR0645BT5115 [0,1,0,1,0,0|1,0,1]=4 551 B16R3.5925 c1ccc2[nH]c(nc2c1)c3cscn3 WXVL_LR0645BT0962 [0,1,0,1,0,0|1,0,1]=4 552 B12R2.2 c1cc(ccn1)c2nc[nH]n2 WXVL_LR0419BT0574 [0,0,0,0,2,0|2,0,0]=4 553 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT0919 [0,0,0,0,2,0|2,0,0]=4 554 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT1115 [0,0,0,0,2,0|2,0,0]=4 555 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT2957 [0,0,0,0,2,0|2,0,0]=4 556 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [0,0,0,0,2,0|2,0,0]=4 557 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [0,0,0,0,2,0|2,0,0]=4 558 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [0,0,0,0,2,0|2,0,0]=4 559 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT0919 [0,0,0,0,2,0|1,0,1]=4 560 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT1115 [0,0,0,0,2,0|1,0,1]=4 561 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT2957 [0,0,0,0,2,0|1,0,1]=4 562 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [0,0,0,0,2,0|0,0,2]=4 563 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [0,0,0,0,2,0|0,0,2]=4 564 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [0,0,0,0,2,0|0,0,2]=4 565 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT0919 [0,0,0,0,2,0|1,0,0]=3 566 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT1115 [0,0,0,0,2,0|1,0,0]=3 567 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT2957 [0,0,0,0,2,0|1,0,0]=3 568 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT0919 [0,0,0,0,2,0|1,0,1]=4 569 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT1115 [0,0,0,0,2,0|1,0,1]=4 570 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT2957 [0,0,0,0,2,0|1,0,1]=4 571 B12R2.2 c1ccc(nc1)c2nc[nH]n2 WXVL_LR0419BT0164 [0,0,0,0,2,0|2,0,0]=4 572 B12R2.2 c1cncc(c1)c2nc[nH]n2 WXVL_LR0419BT1208 [0,0,0,0,2,0|2,0,0]=4 573 B12R2.2 c1cncc(c1)c2nc[nH]n2 WXVL_LR0419BT3912 [0,0,0,0,2,0|2,0,0]=4 574 B16R2.2256 c1ccc(cc1)CCNc2ccncn2 WXVL_AK00498LP3358 [0,0,0,0,0,2|1,0,1]=4 575 B16R2.2256 c1ccc(cc1)CCNc2ccncn2 WXVL_AK00498LP3358 [0,0,0,0,0,2|1,0,1]=4 576 B16R2.2256 c1ccc(cc1)CCNc2ncccn2 WXVL_AK00498LP0002 [0,0,0,0,0,2|2,0,0]=4 577 B16R2.2256 c1ccc(cc1)CCNc2ncccn2 WXVL_AK00498LP0002 [0,0,0,0,0,2|2,0,0]=4