0 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.40 O=C(CO)Nc1ccccc1 WXVL_AG00183SB2706 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.40 O=C(CO)Nc1ccccn1 WXVL_AF00298SB2706 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.91 NC(=O)CCc1ccccc1 WXVL_AK0084SB0067 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.91 NC(=O)COc1ccccc1 WXVL_AK0084SB0086 [0,1,0,0,0,0|0,0,2]=3 44 B11R1.91 NC(=O)COc1cccnc1 WXVL_AK0084SA0051 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.91 NC(=O)COc1cccnc1 WXVL_AK0084SA0051 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,1,0,0,0,0|0,1,2]=4 47 B11R1.91 NC(=O)CSc1ccccc1 WXVL_AK0084SB0113 [0,1,0,0,0,0|0,1,2]=4 48 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.18 CC(=O)Nc1ccccc1 WXVL_AG00183SB0150 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.18 NC(=O)Cc1ccccc1 WXVL_AK0084SB0092 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.21 Cc1ccc(cc1)OCC(=O)N WXVL_AK0084SB0138 [0,2,0,0,0,0|0,0,2]=4 55 B12R1.21 Cc1ccc(cc1)OCC(=O)N WXVL_AK0084SB0138 [0,2,0,0,0,0|0,0,2]=4 56 B12R1.21 NC(=O)COc1ccc(cc1)F WXVL_AK0084SB0088 [0,2,0,0,0,0|0,0,2]=4 57 B12R1.21 NC(=O)COc1ccc(cc1)F WXVL_AK0084SB0088 [0,2,0,0,0,0|0,0,2]=4 58 B12R1.21 NC(=O)COc1ccc(cc1)O WXVL_AK0084SB3388 [0,2,0,0,0,0|0,0,2]=4 59 B12R1.21 NC(=O)COc1ccc(cc1)O WXVL_AK0084SB3388 [0,2,0,0,0,0|0,0,2]=4 60 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl WXVL_AG0062SB2706 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl WXVL_AG0062SB2706 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.49 O=C(CO)Nc1ccc(cc1)I WXVL_AG1742SB2706 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.49 O=C(CO)Nc1ccc(cc1)I WXVL_AG1742SB2706 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.30 O=C(NCCF)c1ccccc1 WXVL_AK00466SD0001 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.125 Cc1ccccc1OCC(=O)N WXVL_AK0084SB0136 [0,2,0,0,0,0|0,0,2]=4 69 B12R1.125 Cc1ccccc1OCC(=O)N WXVL_AK0084SB0136 [0,2,0,0,0,0|0,0,2]=4 70 B12R1.125 NC(=O)COc1ccccc1F WXVL_AK0084SB0441 [0,2,0,0,0,0|0,0,2]=4 71 B12R1.125 NC(=O)COc1ccccc1F WXVL_AK0084SB0441 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.371 Cc1ccccc1NC(=O)CO WXVL_AG0027SB2706 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.371 O=C(CO)Nc1ccccc1Br WXVL_AG00180SB2706 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.371 O=C(CO)Nc1ccccc1Cl WXVL_AG00129SB2706 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.371 O=C(CO)Nc1ccccc1I WXVL_AG0385SB2706 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.50 Cc1cccc(c1)NC(=O)CO WXVL_AG0052SB2706 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.50 Cc1cccc(c1)NC(=O)CO WXVL_AG0052SB2706 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.50 O=C(CO)Nc1cccc(c1)I WXVL_AG0649SB2706 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.50 O=C(CO)Nc1cccc(c1)I WXVL_AG0649SB2706 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.50 O=C(CO)Nc1cccc(c1)O WXVL_AG00200SB2706 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.50 O=C(CO)Nc1cccc(c1)O WXVL_AG00200SB2706 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.226 NC(=O)COc1cccc(c1)Cl WXVL_AK0084SB0493 [0,2,0,0,0,0|0,0,2]=4 87 B12R1.226 NC(=O)COc1cccc(c1)Cl WXVL_AK0084SB0493 [0,2,0,0,0,0|0,0,2]=4 88 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,2,0,0,0,0|0,0,2]=4 89 B12R1.27 CNC(=O)COc1ccccc1 WXVL_AK00442SB0086 [0,2,0,0,0,0|0,0,2]=4 90 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.32 COCC(=O)Nc1ccccc1 WXVL_AG00183SB0090 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,2,0,0,0,0|0,0,1]=3 99 B12R1.252 NC(=O)CCOc1ccccc1 WXVL_AK0084SB0066 [0,2,0,0,0,0|0,0,1]=3 100 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.252 NC(=O)COCc1ccccc1 WXVL_AK0084SB0185 [0,2,0,0,0,0|0,0,2]=4 102 B12R1.43 CC(Oc1ccccc1)C(=O)N WXVL_AK0084SB0426 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.43 CC(Oc1ccccc1)C(=O)N WXVL_AK0084SB0426 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 WXVL_AG00183SB1085 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)N WXVL_AK0084SB5803 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)N WXVL_AK0084SB5803 [0,2,0,0,0,0|0,0,2]=4