0 B13R2.15 Cc1cscc1c2ccccc2 WXVL_LR0489BT0919 [0,0,1,0,0,0|3,0,0]=4 1 B13R2.15 Cc1cscc1c2ccccc2 WXVL_LR0489BT1115 [0,0,1,0,0,0|3,0,0]=4 2 B13R2.15 Cc1cscc1c2ccccc2 WXVL_LR0489BT2957 [0,0,1,0,0,0|3,0,0]=4 3 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT0919 [0,0,1,0,0,0|1,1,1]=4 4 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT1115 [0,0,1,0,0,0|1,1,1]=4 5 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT2957 [0,0,1,0,0,0|1,1,1]=4 6 B13R2.15 Clc1sccc1c2ccccc2 WXVL_LR0500BT0919 [0,0,1,0,0,0|2,0,0]=3 7 B13R2.15 Clc1sccc1c2ccccc2 WXVL_LR0500BT1115 [0,0,1,0,0,0|2,0,0]=3 8 B13R2.15 Clc1sccc1c2ccccc2 WXVL_LR0500BT2957 [0,0,1,0,0,0|2,0,0]=3 9 B13R2.15 Clc1sccc1c2ccccn2 WXVL_LR0500BT0164 [0,0,1,0,0,0|3,0,0]=4 10 B13R2.15 Clc1sccc1c2cccnc2 WXVL_LR0500BT1208 [0,0,1,0,0,0|3,0,0]=4 11 B13R2.15 Clc1sccc1c2cccnc2 WXVL_LR0500BT3912 [0,0,1,0,0,0|3,0,0]=4 12 B13R2.15 Clc1sccc1c2ccncc2 WXVL_LR0500BT0574 [0,0,1,0,0,0|3,0,0]=4 13 B13R2.18 Cc1ccccc1c2cn[nH]n2 WXVL_LR0395BT1515 [0,0,1,0,0,0|3,0,0]=4 14 B13R2.18 Cc1ccccc1c2cn[nH]n2 WXVL_LR0395BT4142 [0,0,1,0,0,0|3,0,0]=4 15 B13R2.18 Cc1ccccc1c2cn[nH]n2 WXVL_LR0395BT9252 [0,0,1,0,0,0|3,0,0]=4 16 B13R2.18 Cc1ccccc1c2cnoc2 WXVL_LR0706BT1515 [0,0,1,0,0,0|1,1,1]=4 17 B13R2.18 Cc1ccccc1c2cnoc2 WXVL_LR0706BT4142 [0,0,1,0,0,0|1,1,1]=4 18 B13R2.18 Cc1ccccc1c2cnoc2 WXVL_LR0706BT9252 [0,0,1,0,0,0|1,1,1]=4 19 B13R2.18 Cc1ccccc1c2cnsc2 WXVL_LR0652BT1515 [0,0,1,0,0,0|1,0,1]=3 20 B13R2.18 Cc1ccccc1c2cnsc2 WXVL_LR0652BT4142 [0,0,1,0,0,0|1,0,1]=3 21 B13R2.18 Cc1ccccc1c2cnsc2 WXVL_LR0652BT9252 [0,0,1,0,0,0|1,0,1]=3 22 B13R2.18 Cc1ccncc1c2cnsc2 WXVL_LR0652BT2595 [0,0,1,0,0,0|2,0,1]=4 23 B13R2.18 Cc1cnccc1c2cnsc2 WXVL_LR0652BT9635 [0,0,1,0,0,0|2,0,1]=4 24 B13R2.18 Cc1ncccc1c2cnsc2 WXVL_LR0652BT1625 [0,0,1,0,0,0|2,0,1]=4 25 B13R2.18 Cc1ncccc1c2cnsc2 WXVL_LR0652BT1871 [0,0,1,0,0,0|2,0,1]=4 26 B13R2.18 Fc1ccccc1c2cn[nH]n2 WXVL_LR0395BT1435 [0,0,1,0,0,0|3,0,0]=4 27 B13R2.18 Fc1ccccc1c2cn[nH]n2 WXVL_LR0395BT1901 [0,0,1,0,0,0|3,0,0]=4 28 B13R2.18 Fc1ccccc1c2cnoc2 WXVL_LR0706BT1435 [0,0,1,0,0,0|1,1,1]=4 29 B13R2.18 Fc1ccccc1c2cnoc2 WXVL_LR0706BT1901 [0,0,1,0,0,0|1,1,1]=4 30 B13R2.18 Fc1ccccc1c2cnsc2 WXVL_LR0652BT1435 [0,0,1,0,0,0|1,0,1]=3 31 B13R2.18 Fc1ccccc1c2cnsc2 WXVL_LR0652BT1901 [0,0,1,0,0,0|1,0,1]=3 32 B13R2.18 Fc1cnccc1c2cnsc2 WXVL_LR0652BT0661 [0,0,1,0,0,0|2,0,1]=4 33 B13R2.18 Fc1ncccc1c2cnsc2 WXVL_LR0652BT0740 [0,0,1,0,0,0|2,0,1]=4 34 B13R2.18 Oc1ccccc1c2cn[nH]n2 WXVL_LR0395BT1646 [0,0,1,0,0,0|3,0,0]=4 35 B13R2.18 Oc1ccccc1c2cnoc2 WXVL_LR0706BT1646 [0,0,1,0,0,0|1,1,1]=4 36 B13R2.18 Oc1ccccc1c2cnsc2 WXVL_LR0652BT1646 [0,0,1,0,0,0|1,0,1]=3 37 B13R2.18 Oc1ncccc1c2cnsc2 WXVL_LR0652BT1653 [0,0,1,0,0,0|2,0,1]=4 38 B12R2.2 c1cc(ccn1)c2cnsc2 WXVL_LR0652BT0574 [1,0,1,0,0,0|1,0,1]=4 39 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT0919 [1,0,1,0,0,0|2,0,0]=4 40 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT1115 [1,0,1,0,0,0|2,0,0]=4 41 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT2957 [1,0,1,0,0,0|2,0,0]=4 42 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT0919 [1,0,1,0,0,0|0,1,1]=4 43 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT1115 [1,0,1,0,0,0|0,1,1]=4 44 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT2957 [1,0,1,0,0,0|0,1,1]=4 45 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT0919 [1,0,1,0,0,0|0,0,1]=3 46 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT1115 [1,0,1,0,0,0|0,0,1]=3 47 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT2957 [1,0,1,0,0,0|0,0,1]=3 48 B12R2.2 c1ccc(nc1)c2cnsc2 WXVL_LR0652BT0164 [1,0,1,0,0,0|1,0,1]=4 49 B12R2.2 c1cncc(c1)c2cnsc2 WXVL_LR0652BT1208 [1,0,1,0,0,0|1,0,1]=4 50 B12R2.2 c1cncc(c1)c2cnsc2 WXVL_LR0652BT3912 [1,0,1,0,0,0|1,0,1]=4 51 B14R2.95 CNC(=O)c1cnc2n1cccc2 WXVL_AK00442SE0102 [0,1,1,0,0,0|2,0,0]=4 52 B14R2.95 CNC(=O)c1cnc2n1cccc2 WXVL_AK00442SE0102 [0,1,1,0,0,0|2,0,0]=4 53 B14R2.95 CNC(=O)c1cnn2c1cccc2 WXVL_AK00442SE0033 [0,1,1,0,0,0|2,0,0]=4 54 B14R2.95 CNC(=O)c1cnn2c1cccc2 WXVL_AK00442SE0033 [0,1,1,0,0,0|2,0,0]=4 55 B14R2.95 CNC(=O)c1coc2c1cccc2 WXVL_AK00442SE0302 [0,1,1,0,0,0|2,0,0]=4 56 B14R2.95 CNC(=O)c1coc2c1cccc2 WXVL_AK00442SE0302 [0,1,1,0,0,0|2,0,0]=4 57 B14R2.95 CNC(=O)c1csc2c1cccc2 WXVL_AK00442SE0108 [0,1,1,0,0,0|2,0,0]=4 58 B14R2.95 CNC(=O)c1csc2c1cccc2 WXVL_AK00442SE0108 [0,1,1,0,0,0|2,0,0]=4 59 B14R2.95 CNC(=O)c1onc2c1cccc2 WXVL_AK00442SE0896 [0,1,1,0,0,0|2,0,0]=4 60 B14R2.95 CNC(=O)c1onc2c1cccc2 WXVL_AK00442SE0896 [0,1,1,0,0,0|2,0,0]=4 61 B14R2.14 N#Cc1sccc1c2ccccc2 WXVL_LR0829BT0919 [0,1,1,0,0,0|1,0,1]=4 62 B14R2.14 N#Cc1sccc1c2ccccc2 WXVL_LR0829BT1115 [0,1,1,0,0,0|1,0,1]=4 63 B14R2.14 N#Cc1sccc1c2ccccc2 WXVL_LR0829BT2957 [0,1,1,0,0,0|1,0,1]=4 64 B14R2.14 O=Cc1sccc1c2ccccc2 WXVL_QS0779BT0919 [0,1,1,0,0,0|2,0,0]=4 65 B14R2.14 O=Cc1sccc1c2ccccc2 WXVL_QS0779BT1115 [0,1,1,0,0,0|2,0,0]=4 66 B14R2.14 O=Cc1sccc1c2ccccc2 WXVL_QS0779BT2957 [0,1,1,0,0,0|2,0,0]=4 67 B14R2.269 Cc1cccc(c1)c2ccsc2Cl WXVL_LR0500BT0798 [0,1,1,0,0,0|2,0,0]=4 68 B14R2.269 Cc1cccc(c1)c2ccsc2Cl WXVL_LR0500BT9299 [0,1,1,0,0,0|2,0,0]=4 69 B14R2.269 Fc1cccc(c1)c2ccsc2Cl WXVL_LR0500BT1585 [0,1,1,0,0,0|2,0,0]=4 70 B14R2.269 Oc1cccc(c1)c2ccsc2Cl WXVL_LR0500BT2076 [0,1,1,0,0,0|2,0,0]=4 71 B14R2.296 Cc1ccccc1c2ccsc2Cl WXVL_LR0500BT1515 [0,1,1,0,0,0|2,0,0]=4 72 B14R2.296 Cc1ccccc1c2ccsc2Cl WXVL_LR0500BT4142 [0,1,1,0,0,0|2,0,0]=4 73 B14R2.296 Cc1ccccc1c2ccsc2Cl WXVL_LR0500BT9252 [0,1,1,0,0,0|2,0,0]=4 74 B14R2.296 Fc1ccccc1c2ccsc2Cl WXVL_LR0500BT1435 [0,1,1,0,0,0|2,0,0]=4 75 B14R2.296 Fc1ccccc1c2ccsc2Cl WXVL_LR0500BT1901 [0,1,1,0,0,0|2,0,0]=4 76 B14R2.296 Oc1ccccc1c2ccsc2Cl WXVL_LR0500BT1646 [0,1,1,0,0,0|2,0,0]=4 77 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT0919 [0,1,1,0,0,0|2,0,0]=4 78 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT1115 [0,1,1,0,0,0|2,0,0]=4 79 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 WXVL_LR1593BT2957 [0,1,1,0,0,0|2,0,0]=4 80 B14R2.926 Cc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT1573 [0,1,1,0,0,0|2,0,0]=4 81 B14R2.926 Cc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT3934 [0,1,1,0,0,0|2,0,0]=4 82 B14R2.926 Clc1sccc1c2ccc(cc2)I WXVL_LR0500BT1574 [0,1,1,0,0,0|2,0,0]=4 83 B14R2.926 Fc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT0486 [0,1,1,0,0,0|2,0,0]=4 84 B14R2.926 Fc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT0698 [0,1,1,0,0,0|2,0,0]=4 85 B14R2.926 Fc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT2075 [0,1,1,0,0,0|2,0,0]=4 86 B14R2.926 Oc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT0555 [0,1,1,0,0,0|2,0,0]=4 87 B14R2.926 Oc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT0699 [0,1,1,0,0,0|2,0,0]=4 88 B14R2.926 Oc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT2080 [0,1,1,0,0,0|2,0,0]=4 89 B14R2.926 Oc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT4830 [0,1,1,0,0,0|2,0,0]=4 90 B14R2.926 Oc1ccc(cc1)c2ccsc2Cl WXVL_LR0500BT7243 [0,1,1,0,0,0|2,0,0]=4 91 B14R2.23 Cc1c(cccc1c2cnsc2)F WXVL_LR0652BT3723 [0,1,1,0,0,0|1,0,1]=4 92 B14R2.23 Cc1c(cccc1c2cnsc2)O WXVL_LR0652BT0116 [0,1,1,0,0,0|1,0,1]=4 93 B14R2.23 Cc1c(cccc1c2cnsc2)O WXVL_LR0652BT3221 [0,1,1,0,0,0|1,0,1]=4 94 B14R2.23 Cc1cccc(c1C)c2cnsc2 WXVL_LR0652BT6366 [0,1,1,0,0,0|1,0,1]=4 95 B14R2.23 Cc1cccc(c1F)c2cnsc2 WXVL_LR0652BT1768 [0,1,1,0,0,0|1,0,1]=4 96 B14R2.23 Cc1cccc(c1F)c2cnsc2 WXVL_LR0652BT2611 [0,1,1,0,0,0|1,0,1]=4 97 B14R2.23 Cc1cccc(c1O)c2cnsc2 WXVL_LR0652BT1822 [0,1,1,0,0,0|1,0,1]=4 98 B14R2.23 Cc1cccc(c1O)c2cnsc2 WXVL_LR0652BT3223 [0,1,1,0,0,0|1,0,1]=4 99 B14R2.23 Fc1c(cccc1c2cnsc2)I WXVL_LR0652BT0627 [0,1,1,0,0,0|1,0,1]=4 100 B14R2.23 Fc1cccc(c1F)c2cnsc2 WXVL_LR0652BT5544 [0,1,1,0,0,0|1,0,1]=4 101 B14R2.23 Oc1c(cccc1c2cnsc2)F WXVL_LR0652BT0131 [0,1,1,0,0,0|1,0,1]=4 102 B14R2.23 Oc1c(cccc1c2cnsc2)F WXVL_LR0652BT1823 [0,1,1,0,0,0|1,0,1]=4 103 B14R2.23 Oc1cccc(c1F)c2cnsc2 WXVL_LR0652BT2352 [0,1,1,0,0,0|1,0,1]=4 104 B14R2.23 Oc1cccc(c1F)c2cnsc2 WXVL_LR0652BT3232 [0,1,1,0,0,0|1,0,1]=4 105 B14R2.98 C#Cc1ccccc1c2cnsc2 WXVL_LR0652BT5028 [0,1,1,0,0,0|1,0,1]=4 106 B14R2.98 C=Cc1ccccc1c2cnsc2 WXVL_LR0652BT1736 [0,1,1,0,0,0|1,0,1]=4 107 B14R2.98 CCc1ccccc1c2cnsc2 WXVL_LR0652BT3340 [0,1,1,0,0,0|1,0,1]=4 108 B14R2.98 COc1ccccc1c2cnsc2 WXVL_LR0652BT1572 [0,1,1,0,0,0|1,0,1]=4 109 B14R2.98 COc1ccccc1c2cnsc2 WXVL_LR0652BT4141 [0,1,1,0,0,0|1,0,1]=4 110 B14R2.98 CSc1ccccc1c2cnsc2 WXVL_LR0652BT2120 [0,1,1,0,0,0|1,0,1]=4 111 B14R2.98 N#Cc1ccccc1c2cnsc2 WXVL_LR0652BT1975 [0,1,1,0,0,0|0,0,2]=4 112 B14R2.98 O=Cc1ccccc1c2cc[nH]c2 WXVL_QS0019BT5115 [0,1,1,0,0,0|2,0,0]=4 113 B14R2.98 O=Cc1ccccc1c2ccsc2 WXVL_QS0019BT1561 [0,1,1,0,0,0|2,0,0]=4 114 B14R2.98 O=Cc1ccccc1c2cn[nH]c2 WXVL_QS0019BT0829 [0,1,1,0,0,0|2,0,0]=4 115 B14R2.256 Cc1ccccc1c2cnn(c2)C WXVL_LR0394BT1515 [0,1,1,0,0,0|2,0,0]=4 116 B14R2.256 Cc1ccccc1c2cnn(c2)C WXVL_LR0394BT4142 [0,1,1,0,0,0|2,0,0]=4 117 B14R2.256 Cc1ccccc1c2cnn(c2)C WXVL_LR0394BT9252 [0,1,1,0,0,0|2,0,0]=4 118 B14R2.256 Cc1ccccc1c2csc(c2)Cl WXVL_LR0844BT1515 [0,1,1,0,0,0|2,0,0]=4 119 B14R2.256 Cc1ccccc1c2csc(c2)Cl WXVL_LR0844BT4142 [0,1,1,0,0,0|2,0,0]=4 120 B14R2.256 Cc1ccccc1c2csc(c2)Cl WXVL_LR0844BT9252 [0,1,1,0,0,0|2,0,0]=4 121 B14R2.256 Cn1cc(cn1)c2ccccc2F WXVL_LR0394BT1435 [0,1,1,0,0,0|2,0,0]=4 122 B14R2.256 Cn1cc(cn1)c2ccccc2F WXVL_LR0394BT1901 [0,1,1,0,0,0|2,0,0]=4 123 B14R2.256 Cn1cc(cn1)c2ccccc2O WXVL_LR0394BT1646 [0,1,1,0,0,0|2,0,0]=4 124 B14R2.256 Fc1ccccc1c2csc(c2)Cl WXVL_LR0844BT1435 [0,1,1,0,0,0|2,0,0]=4 125 B14R2.256 Fc1ccccc1c2csc(c2)Cl WXVL_LR0844BT1901 [0,1,1,0,0,0|2,0,0]=4 126 B14R2.256 Oc1ccccc1c2csc(c2)Cl WXVL_LR0844BT1646 [0,1,1,0,0,0|2,0,0]=4 127 B14R2.306 Cc1ccc(c(c1)c2cnsc2)C WXVL_LR0652BT0645 [0,1,1,0,0,0|1,0,1]=4 128 B14R2.306 Cc1ccc(c(c1)c2cnsc2)O WXVL_LR0652BT2739 [0,1,1,0,0,0|1,0,1]=4 129 B14R2.306 Cc1ccc(c(c1)c2cnsc2)O WXVL_LR0652BT3163 [0,1,1,0,0,0|1,0,1]=4 130 B14R2.306 Cc1ccc(cc1c2cnsc2)F WXVL_LR0652BT3400 [0,1,1,0,0,0|1,0,1]=4 131 B14R2.306 Cc1ccc(cc1c2cnsc2)O WXVL_LR0652BT2753 [0,1,1,0,0,0|1,0,1]=4 132 B14R2.306 Cc1ccc(cc1c2cnsc2)O WXVL_LR0652BT2944 [0,1,1,0,0,0|1,0,1]=4 133 B14R2.306 Fc1ccc(c(c1)c2cnsc2)F WXVL_LR0652BT3078 [0,1,1,0,0,0|1,0,1]=4 134 B14R2.306 Oc1ccc(c(c1)c2cnsc2)F WXVL_LR0652BT1993 [0,1,1,0,0,0|1,0,1]=4 135 B14R2.306 Oc1ccc(c(c1)c2cnsc2)F WXVL_LR0652BT6092 [0,1,1,0,0,0|1,0,1]=4 136 B14R2.306 Oc1ccc(cc1c2cnsc2)F WXVL_LR0652BT6087 [0,1,1,0,0,0|1,0,1]=4 137 B14R2.739 Cc1cc(ccc1c2cnsc2)F WXVL_LR0652BT4037 [0,1,1,0,0,0|1,0,1]=4 138 B14R2.739 Cc1cc(ccc1c2cnsc2)O WXVL_LR0652BT1746 [0,1,1,0,0,0|1,0,1]=4 139 B14R2.739 Cc1ccc(c(c1)F)c2cnsc2 WXVL_LR0652BT0725 [0,1,1,0,0,0|1,0,1]=4 140 B14R2.739 Cc1ccc(c(c1)F)c2cnsc2 WXVL_LR0652BT2613 [0,1,1,0,0,0|1,0,1]=4 141 B14R2.739 Cc1ccc(c(c1)O)c2cnsc2 WXVL_LR0652BT1647 [0,1,1,0,0,0|1,0,1]=4 142 B14R2.739 Cc1ccc(c(c1)O)c2cnsc2 WXVL_LR0652BT2651 [0,1,1,0,0,0|1,0,1]=4 143 B14R2.739 Fc1ccc(c(c1)F)c2cnsc2 WXVL_LR0652BT1284 [0,1,1,0,0,0|1,0,1]=4 144 B14R2.739 Fc1ccc(c(c1)F)c2cnsc2 WXVL_LR0652BT5174 [0,1,1,0,0,0|1,0,1]=4 145 B14R2.739 Oc1cc(ccc1c2cnsc2)F WXVL_LR0652BT1759 [0,1,1,0,0,0|1,0,1]=4 146 B14R2.739 Oc1cc(ccc1c2cnsc2)F WXVL_LR0652BT3314 [0,1,1,0,0,0|1,0,1]=4 147 B14R2.739 Oc1ccc(c(c1)F)c2cnsc2 WXVL_LR0652BT1147 [0,1,1,0,0,0|1,0,1]=4 148 B14R2.739 Oc1ccc(c(c1)F)c2cnsc2 WXVL_LR0652BT2276 [0,1,1,0,0,0|1,0,1]=4 149 B14R2.9066 Cc1cccc(c1c2cnsc2)F WXVL_LR0652BT5725 [0,1,1,0,0,0|1,0,1]=4 150 B14R2.9066 Fc1cccc(c1c2cnsc2)F WXVL_LR0652BT1122 [0,1,1,0,0,0|1,0,1]=4 151 B14R2.9066 Oc1cccc(c1c2cnsc2)F WXVL_LR0652BT3604 [0,1,1,0,0,0|1,0,1]=4 152 B14R2.9066 Oc1cccc(c1c2cnsc2)F WXVL_LR0652BT3763 [0,1,1,0,0,0|1,0,1]=4 153 B14R2.9066 Oc1cccc(c1c2cnsc2)O WXVL_LR0652BT4896 [0,1,1,0,0,0|1,0,1]=4 154 B14R2.642 Cc1[nH]c2ccccc2c1C(=O)N WXVL_AK0084SE0322 [0,1,1,0,0,0|1,0,1]=4 155 B14R2.642 Cc1[nH]c2ccccc2c1C(=O)N WXVL_AK0084SE0322 [0,1,1,0,0,0|1,0,1]=4 156 B14R2.642 Cc1nc2ccccn2c1C(=O)N WXVL_AK0084SE0031 [0,1,1,0,0,0|2,0,0]=4 157 B14R2.642 Cc1nc2ccccn2c1C(=O)N WXVL_AK0084SE0031 [0,1,1,0,0,0|2,0,0]=4