0 B13R1.24 C=CCCNC(=O)c1ccccc1 WXVL_AK00138SD0001 [0,1,0,0,0,0|3,0,0]=4 1 B13R1.24 C=CCCNC(=O)c1ccccc1 WXVL_AK00138SD0001 [0,1,0,0,0,0|3,0,0]=4 2 B13R1.44 C=CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1035 [0,1,0,0,0,0|3,0,0]=4 3 B13R1.44 C=CCCC(=O)Nc1ccccc1 WXVL_AG00183SB1035 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.44 CCOCC(=O)Nc1ccccc1 WXVL_AG00183SB0091 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.337 CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0150 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,1,0,0,0,0|1,0,2]=4 10 B13R1.337 CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0150 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.337 CC(=O)NCCNc1ccccc1 WXVL_AK2478SB0150 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.337 CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0150 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.337 CC(=O)NCCOc1ccccc1 WXVL_AK0103SB0150 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,1,0,0,0,0|1,0,2]=4 16 B13R2.15 Cc1cscc1c2ccccc2 WXVL_LR0489BT0919 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.15 Cc1cscc1c2ccccc2 WXVL_LR0489BT1115 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.15 Cc1cscc1c2ccccc2 WXVL_LR0489BT2957 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT0919 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT1115 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.15 Cc1oncc1c2ccccc2 WXVL_LR0715BT2957 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.15 Cc1oncc1c2ccccn2 WXVL_LR0715BT0164 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.15 Cc1oncc1c2cccnc2 WXVL_LR0715BT1208 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.15 Cc1oncc1c2cccnc2 WXVL_LR0715BT3912 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.15 Cc1oncc1c2ccncc2 WXVL_LR0715BT0574 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.15 Clc1sccc1c2ccccc2 WXVL_LR0500BT0919 [0,0,0,1,0,0|1,1,1]=4 27 B13R2.15 Clc1sccc1c2ccccc2 WXVL_LR0500BT1115 [0,0,0,1,0,0|1,1,1]=4 28 B13R2.15 Clc1sccc1c2ccccc2 WXVL_LR0500BT2957 [0,0,0,1,0,0|1,1,1]=4 29 B12R1.30 C=CCNC(=O)c1ccccc1 WXVL_AK00561SD0001 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.30 C=CCNC(=O)c1ccccc1 WXVL_AK00561SD0001 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.32 C=CCC(=O)Nc1ccccc1 WXVL_AG00183SB2732 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.32 C=CCC(=O)Nc1ccccc1 WXVL_AG00183SB2732 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 WXVL_AK00443SD0001 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 WXVL_AK00443SD0001 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 WXVL_AK0084SB2021 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 WXVL_AK0084SB2021 [0,2,0,0,0,0|2,0,0]=4 47 B14R1.716 C#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0338 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.716 C#CC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0338 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,2,0,0,0,0|1,0,0]=3 50 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0064 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 WXVL_AK00073SB2706 [0,2,0,0,0,0|1,0,0]=3 53 B14R1.60 C[C@H](NC=O)C(=O)Nc1ccccc1 WXVL_AG00183SB5176 [0,2,0,0,0,0|2,0,0]=4 54 B14R1.60 C[C@H](NC=O)C(=O)Nc1ccccc1 WXVL_AG00183SB5176 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0072 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0072 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0357 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0357 [0,2,0,0,0,0|2,0,0]=4 59 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0150 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 WXVL_AK2641SB0150 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 WXVL_AG00183SB2824 [0,2,0,0,0,0|1,0,0]=3 62 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 WXVL_AG00183SB2824 [0,2,0,0,0,0|1,0,0]=3 63 B14R1.423 CC(=O)OCC(=O)Nc1ccccn1 WXVL_AF00298SB2824 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.423 CC(=O)OCC(=O)Nc1ccccn1 WXVL_AF00298SB2824 [0,2,0,0,0,0|2,0,0]=4 65 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 WXVL_AG00183SB3992 [0,2,0,0,0,0|1,1,0]=4 66 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 WXVL_AG00183SB3992 [0,2,0,0,0,0|1,1,0]=4 67 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0358 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0358 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0746 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 WXVL_AG00183SB0746 [0,2,0,0,0,0|2,0,0]=4 71 B12R2.2 c1cc(ccn1)c2cnoc2 WXVL_LR0706BT0574 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT0919 [1,0,0,1,0,0|0,1,1]=4 73 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT1115 [1,0,0,1,0,0|0,1,1]=4 74 B12R2.2 c1ccc(cc1)c2cccs2 WXVL_LR0498BT2957 [1,0,0,1,0,0|0,1,1]=4 75 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [1,0,0,1,0,0|1,0,1]=4 77 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [1,0,0,1,0,0|1,0,1]=4 78 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT0919 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT1115 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.2 c1ccc(cc1)c2cnc[nH]2 WXVL_LR0418BT2957 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT0919 [1,0,0,1,0,0|1,0,0]=3 82 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT1115 [1,0,0,1,0,0|1,0,0]=3 83 B12R2.2 c1ccc(cc1)c2cnoc2 WXVL_LR0706BT2957 [1,0,0,1,0,0|1,0,0]=3 84 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT0919 [1,0,0,1,0,0|1,1,0]=4 85 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT1115 [1,0,0,1,0,0|1,1,0]=4 86 B12R2.2 c1ccc(cc1)c2cnsc2 WXVL_LR0652BT2957 [1,0,0,1,0,0|1,1,0]=4 87 B12R2.2 c1ccc(nc1)c2cnoc2 WXVL_LR0706BT0164 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.2 c1cncc(c1)c2cnoc2 WXVL_LR0706BT1208 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.2 c1cncc(c1)c2cnoc2 WXVL_LR0706BT3912 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.269 Cc1cccc(c1)c2cnoc2C WXVL_LR0715BT0798 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.269 Cc1cccc(c1)c2cnoc2C WXVL_LR0715BT9299 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.269 Cc1oncc1c2cccc(c2)F WXVL_LR0715BT1585 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.269 Cc1oncc1c2cccc(c2)O WXVL_LR0715BT2076 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.926 Cc1ccc(cc1)c2cnoc2C WXVL_LR0715BT1573 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.926 Cc1ccc(cc1)c2cnoc2C WXVL_LR0715BT3934 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.926 Cc1oncc1c2ccc(cc2)F WXVL_LR0715BT0486 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.926 Cc1oncc1c2ccc(cc2)F WXVL_LR0715BT0698 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.926 Cc1oncc1c2ccc(cc2)F WXVL_LR0715BT2075 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.926 Cc1oncc1c2ccc(cc2)I WXVL_LR0715BT1574 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.926 Cc1oncc1c2ccc(cc2)O WXVL_LR0715BT0555 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.926 Cc1oncc1c2ccc(cc2)O WXVL_LR0715BT0699 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.926 Cc1oncc1c2ccc(cc2)O WXVL_LR0715BT2080 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.926 Cc1oncc1c2ccc(cc2)O WXVL_LR0715BT4830 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.926 Cc1oncc1c2ccc(cc2)O WXVL_LR0715BT7243 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.8 O=Cc1cc(c[nH]1)c2ccccc2 WXVL_QS1573BT0919 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.8 O=Cc1cc(c[nH]1)c2ccccc2 WXVL_QS1573BT1115 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.8 O=Cc1cc(c[nH]1)c2ccccc2 WXVL_QS1573BT2957 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.8 O=Cc1cc(co1)c2ccccc2 WXVL_QS1888BT0919 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.8 O=Cc1cc(co1)c2ccccc2 WXVL_QS1888BT1115 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.8 O=Cc1cc(co1)c2ccccc2 WXVL_QS1888BT2957 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.8 O=Cc1cc(cs1)c2ccccc2 WXVL_QS0099BT0919 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.8 O=Cc1cc(cs1)c2ccccc2 WXVL_QS0099BT1115 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.8 O=Cc1cc(cs1)c2ccccc2 WXVL_QS0099BT2957 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.8 O=Cc1ccc([nH]1)c2ccccc2 WXVL_QS1848BT0919 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.8 O=Cc1ccc([nH]1)c2ccccc2 WXVL_QS1848BT1115 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.8 O=Cc1ccc([nH]1)c2ccccc2 WXVL_QS1848BT2957 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.8 O=Cc1ccc(o1)c2ccccc2 WXVL_QS0666BT0919 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.8 O=Cc1ccc(o1)c2ccccc2 WXVL_QS0666BT1115 [0,1,0,1,0,0|1,0,1]=4 119 B14R2.8 O=Cc1ccc(o1)c2ccccc2 WXVL_QS0666BT2957 [0,1,0,1,0,0|1,0,1]=4 120 B14R2.8 O=Cc1ccc(s1)c2ccccc2 WXVL_QS0447BT0919 [0,1,0,1,0,0|1,0,1]=4 121 B14R2.8 O=Cc1ccc(s1)c2ccccc2 WXVL_QS0447BT1115 [0,1,0,1,0,0|1,0,1]=4 122 B14R2.8 O=Cc1ccc(s1)c2ccccc2 WXVL_QS0447BT2957 [0,1,0,1,0,0|1,0,1]=4 123 B14R2.8 O=Cc1nc(cs1)c2ccccc2 WXVL_QS0464BT0919 [0,1,0,1,0,0|2,0,0]=4 124 B14R2.8 O=Cc1nc(cs1)c2ccccc2 WXVL_QS0464BT1115 [0,1,0,1,0,0|2,0,0]=4 125 B14R2.8 O=Cc1nc(cs1)c2ccccc2 WXVL_QS0464BT2957 [0,1,0,1,0,0|2,0,0]=4 126 B14R2.14 O=Cc1ccsc1c2ccccc2 WXVL_QS2092BT0919 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.14 O=Cc1ccsc1c2ccccc2 WXVL_QS2092BT1115 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.14 O=Cc1ccsc1c2ccccc2 WXVL_QS2092BT2957 [0,1,0,1,0,0|1,0,1]=4 129 B14R2.14 O=Cc1cscc1c2ccccc2 WXVL_QS0787BT0919 [0,1,0,1,0,0|1,0,1]=4 130 B14R2.14 O=Cc1cscc1c2ccccc2 WXVL_QS0787BT1115 [0,1,0,1,0,0|1,0,1]=4 131 B14R2.14 O=Cc1cscc1c2ccccc2 WXVL_QS0787BT2957 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.14 O=Cc1occc1c2ccccc2 WXVL_QS1403BT0919 [0,1,0,1,0,0|0,0,1]=3 133 B14R2.14 O=Cc1occc1c2ccccc2 WXVL_QS1403BT1115 [0,1,0,1,0,0|0,0,1]=3 134 B14R2.14 O=Cc1occc1c2ccccc2 WXVL_QS1403BT2957 [0,1,0,1,0,0|0,0,1]=3 135 B14R2.14 O=Cc1occc1c2ccccn2 WXVL_QS1403BT0164 [0,1,0,1,0,0|1,0,1]=4 136 B14R2.14 O=Cc1occc1c2cccnc2 WXVL_QS1403BT1208 [0,1,0,1,0,0|1,0,1]=4 137 B14R2.14 O=Cc1occc1c2cccnc2 WXVL_QS1403BT3912 [0,1,0,1,0,0|1,0,1]=4 138 B14R2.14 O=Cc1occc1c2ccncc2 WXVL_QS1403BT0574 [0,1,0,1,0,0|1,0,1]=4 139 B14R2.14 O=Cc1sccc1c2ccccc2 WXVL_QS0779BT0919 [0,1,0,1,0,0|0,1,1]=4 140 B14R2.14 O=Cc1sccc1c2ccccc2 WXVL_QS0779BT1115 [0,1,0,1,0,0|0,1,1]=4 141 B14R2.14 O=Cc1sccc1c2ccccc2 WXVL_QS0779BT2957 [0,1,0,1,0,0|0,1,1]=4 142 B14R2.277 Cc1noc(c1c2ccccc2)C WXVL_LR0657BT0919 [0,1,0,1,0,0|2,0,0]=4 143 B14R2.277 Cc1noc(c1c2ccccc2)C WXVL_LR0657BT1115 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.277 Cc1noc(c1c2ccccc2)C WXVL_LR0657BT2957 [0,1,0,1,0,0|2,0,0]=4 145 B14R2.2 NC(=O)Cn1ccc2c1cccc2 WXVL_AK0084SB1466 [0,1,0,1,0,0|2,0,0]=4 146 B14R2.2 NC(=O)Cn1ccc2c1cccc2 WXVL_AK0084SB1466 [0,1,0,1,0,0|2,0,0]=4 147 B14R2.31359 NC(=O)c1cccc2c1cccc2 WXVL_AK0084SE0011 [0,1,0,1,0,0|1,0,1]=4 148 B14R2.31359 NC(=O)c1cccc2c1cccc2 WXVL_AK0084SE0011 [0,1,0,1,0,0|1,0,1]=4 149 B14R2.31359 NC(=O)c1nccc2c1cccc2 WXVL_AK0084SE0008 [0,1,0,1,0,0|2,0,0]=4 150 B14R2.31359 NC(=O)c1nccc2c1cccc2 WXVL_AK0084SE0008 [0,1,0,1,0,0|2,0,0]=4 151 B14R2.296 Cc1ccccc1c2cnoc2C WXVL_LR0715BT1515 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.296 Cc1ccccc1c2cnoc2C WXVL_LR0715BT4142 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.296 Cc1ccccc1c2cnoc2C WXVL_LR0715BT9252 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.296 Cc1oncc1c2ccccc2F WXVL_LR0715BT1435 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.296 Cc1oncc1c2ccccc2F WXVL_LR0715BT1901 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.296 Cc1oncc1c2ccccc2O WXVL_LR0715BT1646 [0,1,0,1,0,0|2,0,0]=4