0 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0084SB0466 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0084SB0466 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0147SD0001 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.45 NC(=O)CNC(=O)c1ccccc1 WXVL_AK0147SD0001 [0,1,0,0,0,0|2,0,1]=4 12 B13R2.10 Cc1cnc([nH]1)c2ccccc2 WXVL_LR1156BT0919 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.10 Cc1cnc([nH]1)c2ccccc2 WXVL_LR1156BT1115 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.10 Cc1cnc([nH]1)c2ccccc2 WXVL_LR1156BT2957 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.10 Cc1cnc([nH]1)c2ccccn2 WXVL_LR1156BT0164 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.10 Cc1cnc([nH]1)c2cccnc2 WXVL_LR1156BT1208 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.10 Cc1cnc([nH]1)c2cccnc2 WXVL_LR1156BT3912 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 Cc1cnc([nH]1)c2ccncc2 WXVL_LR1156BT0574 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT0919 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT1115 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT2957 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.10 Cc1nc(no1)c2ccccn2 WXVL_LR0423BT0164 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.10 Cc1nc(no1)c2cccnc2 WXVL_LR0423BT1208 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.10 Cc1nc(no1)c2cccnc2 WXVL_LR0423BT3912 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.10 Cc1nc(no1)c2ccncc2 WXVL_LR0423BT0574 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT0919 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT1115 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.10 Cc1nnc(o1)c2ccccc2 WXVL_LR0506BT2957 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.10 Clc1csc(n1)c2ccccc2 WXVL_LR1009BT0919 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.10 Clc1csc(n1)c2ccccc2 WXVL_LR1009BT1115 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.10 Clc1csc(n1)c2ccccc2 WXVL_LR1009BT2957 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.10 Cn1cnc(n1)c2ccccc2 WXVL_LR0383BT0919 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.10 Cn1cnc(n1)c2ccccc2 WXVL_LR0383BT1115 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.10 Cn1cnc(n1)c2ccccc2 WXVL_LR0383BT2957 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.10 Cn1nnc(n1)c2ccccc2 WXVL_LR1548BT0919 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.10 Cn1nnc(n1)c2ccccc2 WXVL_LR1548BT1115 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.10 Cn1nnc(n1)c2ccccc2 WXVL_LR1548BT2957 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.10 Fc1cnc(s1)c2ccccc2 WXVL_LR1252BT0919 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.10 Fc1cnc(s1)c2ccccc2 WXVL_LR1252BT1115 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.10 Fc1cnc(s1)c2ccccc2 WXVL_LR1252BT2957 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.72 NC(=O)c1n[nH]c2c1cccc2 WXVL_AK0084SE0379 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.72 NC(=O)c1n[nH]c2c1cccc2 WXVL_AK0084SE0379 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,0,0,0,1,0|2,0,1]=4 44 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [0,0,0,0,1,0|2,0,1]=4 45 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.91 NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.91 NC(=O)C#Cc1ccccc1 WXVL_AK0084SB0114 [0,0,0,0,1,0|2,0,1]=4 50 B11R1.91 NC(=O)C#Cc1ccccc1 WXVL_AK0084SB0114 [0,0,0,0,1,0|2,0,1]=4 51 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,0,0,0,1,0|2,0,1]=4 52 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,0,0,0,1,0|2,0,1]=4 53 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,0,0,0,1,0|3,0,0]=4 57 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [0,0,0,0,0,1|3,0,0]=4 58 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [0,0,0,0,0,1|3,0,0]=4 59 B12R1.21 Cc1ccc(cc1)C=CC(=O)N WXVL_AK0084SB0060 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.21 Cc1ccc(cc1)C=CC(=O)N WXVL_AK0084SB0060 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.21 NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0084SB0418 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.21 NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0084SB0418 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.21 NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0084SB1122 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.21 NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0084SB1122 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0084SB0119 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.21 NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0084SB0119 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.21 NC(=O)C=Cc1ccc(cc1)F WXVL_AK0084SB1186 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.21 NC(=O)C=Cc1ccc(cc1)F WXVL_AK0084SB1186 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.125 NC(=O)C=Cc1ccccc1Br WXVL_AK0084SB3065 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.226 NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0084SB1601 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.226 NC(=O)C=Cc1cccc(c1)O WXVL_AK0084SB0417 [0,1,0,0,1,0|2,0,0]=4 75 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0746 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0746 [0,1,0,0,0,1|2,0,0]=4 77 B12R2.2 c1cc(ccn1)c2nc[nH]n2 WXVL_LR0419BT0574 [1,0,0,1,0,0|1,0,0]=3 78 B12R2.2 c1cc(cnn1)c2nc[nH]n2 WXVL_LR0419BT1744 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT0919 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT1115 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.2 c1ccc(cc1)c2cn[nH]n2 WXVL_LR0395BT2957 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT0919 [1,0,0,1,0,0|0,0,0]=2 89 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT1115 [1,0,0,1,0,0|0,0,0]=2 90 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT2957 [1,0,0,1,0,0|0,0,0]=2 91 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT0919 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT1115 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT2957 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.2 c1ccc(nc1)c2nc[nH]n2 WXVL_LR0419BT0164 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.2 c1cncc(c1)c2nc[nH]n2 WXVL_LR0419BT1208 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.2 c1cncc(c1)c2nc[nH]n2 WXVL_LR0419BT3912 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.2 NC(=O)Cn1ccc2c1cccc2 WXVL_AK0084SB1466 [0,0,0,1,0,1|2,0,0]=4 98 B14R2.2 NC(=O)Cn1ccc2c1cccc2 WXVL_AK0084SB1466 [0,0,0,1,0,1|2,0,0]=4 99 B14R2.2 NC(=O)Cn1nnc2c1cccc2 WXVL_AK0084SB1363 [0,0,0,1,0,1|2,0,0]=4 100 B14R2.2 NC(=O)Cn1nnc2c1cccc2 WXVL_AK0084SB1363 [0,0,0,1,0,1|2,0,0]=4 101 B14R2.31359 NC(=O)c1nccc2c1cccc2 WXVL_AK0084SE0008 [0,0,0,1,0,1|2,0,0]=4 102 B14R2.31359 NC(=O)c1nccc2c1cccc2 WXVL_AK0084SE0008 [0,0,0,1,0,1|2,0,0]=4 103 B14R2.22 Cc1cccc(c1)c2ncc([nH]2)C WXVL_LR1156BT0798 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.22 Cc1cccc(c1)c2ncc([nH]2)C WXVL_LR1156BT9299 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.22 Cc1cccc(c1)c2noc(n2)C WXVL_LR0423BT0798 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.22 Cc1cccc(c1)c2noc(n2)C WXVL_LR0423BT9299 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.22 Cc1cnc([nH]1)c2cccc(c2)F WXVL_LR1156BT1585 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.22 Cc1cnc([nH]1)c2cccc(c2)O WXVL_LR1156BT2076 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.22 Cc1nc(no1)c2cccc(c2)F WXVL_LR0423BT1585 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.22 Cc1nc(no1)c2cccc(c2)O WXVL_LR0423BT2076 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.256 Cc1cnc([nH]1)c2ccccc2C WXVL_LR1156BT1515 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.256 Cc1cnc([nH]1)c2ccccc2C WXVL_LR1156BT4142 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.256 Cc1cnc([nH]1)c2ccccc2C WXVL_LR1156BT9252 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.256 Cc1cnc([nH]1)c2ccccc2F WXVL_LR1156BT1435 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.256 Cc1cnc([nH]1)c2ccccc2F WXVL_LR1156BT1901 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.256 Cc1cnc([nH]1)c2ccccc2O WXVL_LR1156BT1646 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.256 Cc1nc(no1)c2ccccc2C WXVL_LR0423BT1515 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.256 Cc1nc(no1)c2ccccc2C WXVL_LR0423BT4142 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.256 Cc1nc(no1)c2ccccc2C WXVL_LR0423BT9252 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.256 Cc1nc(no1)c2ccccc2F WXVL_LR0423BT1435 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.256 Cc1nc(no1)c2ccccc2F WXVL_LR0423BT1901 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.256 Cc1nc(no1)c2ccccc2O WXVL_LR0423BT1646 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.781 NC(=O)c1cc2ccccc2cn1 WXVL_AK0084SE0464 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.781 NC(=O)c1cc2ccccc2cn1 WXVL_AK0084SE0464 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT0919 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT1115 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.260 Cc1cc(nn1C)c2ccccc2 WXVL_LR0439BT2957 [0,1,0,1,0,0|2,0,0]=4 128 B14R2.260 Cc1nc(cn1C)c2ccccc2 WXVL_LR0396BT0919 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.260 Cc1nc(cn1C)c2ccccc2 WXVL_LR0396BT1115 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.260 Cc1nc(cn1C)c2ccccc2 WXVL_LR0396BT2957 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.20 Cc1ccc(cc1)c2ncc([nH]2)C WXVL_LR1156BT1573 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.20 Cc1ccc(cc1)c2ncc([nH]2)C WXVL_LR1156BT3934 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.20 Cc1ccc(cc1)c2noc(n2)C WXVL_LR0423BT1573 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.20 Cc1ccc(cc1)c2noc(n2)C WXVL_LR0423BT3934 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)F WXVL_LR1156BT0486 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)F WXVL_LR1156BT0698 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)F WXVL_LR1156BT2075 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)I WXVL_LR1156BT1574 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)O WXVL_LR1156BT0555 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)O WXVL_LR1156BT0699 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)O WXVL_LR1156BT2080 [0,1,0,1,0,0|2,0,0]=4 142 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)O WXVL_LR1156BT4830 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.20 Cc1cnc([nH]1)c2ccc(cc2)O WXVL_LR1156BT7243 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.20 Cc1nc(no1)c2ccc(cc2)F WXVL_LR0423BT0486 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.20 Cc1nc(no1)c2ccc(cc2)F WXVL_LR0423BT0698 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.20 Cc1nc(no1)c2ccc(cc2)F WXVL_LR0423BT2075 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.20 Cc1nc(no1)c2ccc(cc2)I WXVL_LR0423BT1574 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT0555 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT0699 [0,1,0,1,0,0|2,0,0]=4 150 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT2080 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT4830 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT7243 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,0,0,0,2,0|2,0,0]=4 154 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [0,0,0,0,2,0|2,0,0]=4 155 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [0,0,0,0,2,0|1,0,1]=4 156 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [0,0,0,0,2,0|1,0,1]=4