0 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT0919 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT1115 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.10 Cc1nc(no1)c2ccccc2 WXVL_LR0423BT2957 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.10 Cc1nc(no1)c2ccccn2 WXVL_LR0423BT0164 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 Cc1nc(no1)c2cccnc2 WXVL_LR0423BT1208 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 Cc1nc(no1)c2cccnc2 WXVL_LR0423BT3912 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 Cc1nc(no1)c2ccncc2 WXVL_LR0423BT0574 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.10 Clc1csc(n1)c2ccccc2 WXVL_LR1009BT0919 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.10 Clc1csc(n1)c2ccccc2 WXVL_LR1009BT1115 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 Clc1csc(n1)c2ccccc2 WXVL_LR1009BT2957 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT0919 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT1115 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.2 c1ccc(cc1)c2ccon2 WXVL_LR0685BT2957 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT0919 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT1115 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.2 c1ccc(cc1)c2nc[nH]n2 WXVL_LR0419BT2957 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT0919 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT1115 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.2 c1ccc(cc1)c2ncns2 WXVL_LR0623BT2957 [1,0,0,0,0,0|2,0,1]=4 19 B14R2.20 Cc1ccc(cc1)c2noc(n2)C WXVL_LR0423BT1573 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.20 Cc1ccc(cc1)c2noc(n2)C WXVL_LR0423BT3934 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.20 Cc1nc(no1)c2ccc(cc2)F WXVL_LR0423BT0486 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.20 Cc1nc(no1)c2ccc(cc2)F WXVL_LR0423BT0698 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.20 Cc1nc(no1)c2ccc(cc2)F WXVL_LR0423BT2075 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.20 Cc1nc(no1)c2ccc(cc2)I WXVL_LR0423BT1574 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT0555 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT0699 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT2080 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT4830 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.20 Cc1nc(no1)c2ccc(cc2)O WXVL_LR0423BT7243 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.22 Cc1cccc(c1)c2noc(n2)C WXVL_LR0423BT0798 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.22 Cc1cccc(c1)c2noc(n2)C WXVL_LR0423BT9299 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.22 Cc1nc(no1)c2cccc(c2)F WXVL_LR0423BT1585 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.22 Cc1nc(no1)c2cccc(c2)O WXVL_LR0423BT2076 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.256 Cc1nc(no1)c2ccccc2C WXVL_LR0423BT1515 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.256 Cc1nc(no1)c2ccccc2C WXVL_LR0423BT4142 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.256 Cc1nc(no1)c2ccccc2C WXVL_LR0423BT9252 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.256 Cc1nc(no1)c2ccccc2F WXVL_LR0423BT1435 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.256 Cc1nc(no1)c2ccccc2F WXVL_LR0423BT1901 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.256 Cc1nc(no1)c2ccccc2O WXVL_LR0423BT1646 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,0,1,0,0,0|2,0,1]=4 42 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.107 CC(CC(=O)N)c1ccccc1 WXVL_AK0084SB0419 [0,0,1,0,0,0|1,0,1]=3 45 B12R1.107 CC(CC(=O)N)c1ccccc1 WXVL_AK0084SB0419 [0,0,1,0,0,0|1,0,1]=3 46 B12R1.107 NC(=O)CC(O)c1ccccc1 WXVL_AK0084SB2325 [0,0,1,0,0,0|2,0,1]=4 47 B12R1.107 NC(=O)CC(O)c1ccccc1 WXVL_AK0084SB2325 [0,0,1,0,0,0|2,0,1]=4 48 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,0,1,0,0,0|2,0,0]=3 51 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,0,1,0,0,0|2,0,0]=3 52 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,0,1,0,0,0|3,0,0]=4 56 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.91 CC(=O)NCc1ccccc1 WXVL_AK00502SB0150 [1,0,1,0,0,0|1,0,1]=4 58 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [1,0,1,0,0,0|1,0,1]=4 59 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [1,0,1,0,0,0|1,0,1]=4 60 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0150 [0,1,1,0,0,0|1,0,1]=4 61 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 WXVL_AK00486SB0150 [0,1,1,0,0,0|1,0,1]=4 62 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0150 [0,1,1,0,0,0|1,0,1]=4 63 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 WXVL_AK0108SB0150 [0,1,1,0,0,0|1,0,1]=4 64 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,1,1,0,0,0|1,0,1]=4 65 B13R1.42 COCC(=O)NCc1ccccc1 WXVL_AK00502SB0090 [0,1,1,0,0,0|1,0,1]=4 66 B13R1.347 CC(C)(CC(=O)N)c1ccccc1 WXVL_AK0084SB0461 [0,1,1,0,0,0|1,0,1]=4 67 B13R1.347 CC(C)(CC(=O)N)c1ccccc1 WXVL_AK0084SB0461 [0,1,1,0,0,0|1,0,1]=4 68 B13R1.158 NC(=O)CCCc1ccccc1F WXVL_AK0084SB3843 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.158 NC(=O)CCCc1ccccc1F WXVL_AK0084SB3843 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.513 NC(=O)CCCc1ccc(cc1)Br WXVL_AK0084SB4477 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.513 NC(=O)CCCc1ccc(cc1)Br WXVL_AK0084SB4477 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.513 NC(=O)CCCc1ccc(cc1)F WXVL_AK0084SB1490 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.513 NC(=O)CCCc1ccc(cc1)F WXVL_AK0084SB1490 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,1,1,0,0,0|2,0,0]=4 76 B13R2.423 NC(=O)C1CC1c2ccccc2 WXVL_AK0084SB2474 [0,0,1,1,0,0|1,0,1]=4 77 B13R2.423 NC(=O)C1CC1c2ccccc2 WXVL_AK0084SB2474 [0,0,1,1,0,0|1,0,1]=4 78 B13R2.423 NC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK0084SB3176 [0,0,1,1,0,0|1,0,1]=4 79 B13R2.423 NC(=O)[C@@H]1C[C@H]1c2ccccc2 WXVL_AK0084SB3176 [0,0,1,1,0,0|1,0,1]=4 80 B13R2.72 NC(=O)C1CCc2c1cccc2 WXVL_AK0084SB3073 [0,0,1,1,0,0|2,0,0]=4 81 B13R2.72 NC(=O)C1CCc2c1cccc2 WXVL_AK0084SB3073 [0,0,1,1,0,0|2,0,0]=4 82 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,0,1,0,1,0|2,0,0]=4 83 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,0,1,0,1,0|2,0,0]=4 84 B11R1.36 CC(C(=O)N)c1ccccc1 WXVL_AK0084SB2326 [0,0,1,0,1,0|0,0,1]=3 85 B11R1.36 CC(C(=O)N)c1ccccc1 WXVL_AK0084SB2326 [0,0,1,0,1,0|0,0,1]=3 86 B11R1.36 NC(=O)C(O)c1ccccc1 WXVL_AK0084SB0168 [0,0,1,0,1,0|1,0,1]=4 87 B11R1.36 NC(=O)C(O)c1ccccc1 WXVL_AK0084SB0168 [0,0,1,0,1,0|1,0,1]=4 88 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,0,1,0,0,1|2,0,0]=4 89 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,0,1,0,0,1|2,0,0]=4