0 B9R1.13 CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0150 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 CC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0150 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.13 CC(=O)Nc1ncco1 WXVL_AF0235SB0150 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.13 CC(=O)Nc1ncns1 WXVL_AF2937SB0150 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.13 CC(=O)Nc1ncns1 WXVL_AF2937SB0150 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.13 NC(=O)Cc1cccs1 WXVL_AK0084SA0018 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.23 CN(C)C(=O)c1nccs1 WXVL_AN0032SC0110 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.23 CN(C)C(=O)c1nccs1 WXVL_AN0032SC0110 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.27 O=C(CO)Nc1nccs1 WXVL_AF0003SB2706 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.27 O=C(CO)Nc1nccs1 WXVL_AF0003SB2706 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.54 CC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0150 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.54 CC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0150 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.54 CC(=O)Nc1nc(cs1)C WXVL_AF0004SB0150 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.54 CC(=O)Nc1nc(cs1)C WXVL_AF0004SB0150 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.54 CC(=O)Nc1nc(cs1)O WXVL_AF3701SB0150 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.54 CC(=O)Nc1nc(cs1)O WXVL_AF3701SB0150 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.54 CC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0150 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.54 CC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0150 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.54 CC(=O)Nc1ncc(s1)C WXVL_AF2555SB0150 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.54 CC(=O)Nc1ncc(s1)C WXVL_AF2555SB0150 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.54 CC(=O)Nc1ncc(s1)F WXVL_AF00078SB0150 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.54 CC(=O)Nc1ncc(s1)F WXVL_AF00078SB0150 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.54 NC(=O)Cc1nc(cs1)Cl WXVL_AK0084SA0305 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.54 NC(=O)Cc1nc(cs1)Cl WXVL_AK0084SA0305 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,0,1,0,0,0|2,1,0]=4 35 B8R0.5 C=CCC(=O)NC(C)C WXVL_AK0030SB2732 [0,0,1,0,0,0|2,1,0]=4 36 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.18 CC(C)Nc1ccncn1 WXVL_AK0030LP3358 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.18 CC(C)Nc1ncccn1 WXVL_AK0030LP0002 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.66 CC(=O)NCc1cccs1 WXVL_AK0014SB0150 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,0,0,1|1,0,1]=3 45 B10R1.66 CC(=O)NCc1nccs1 WXVL_AK0153SB0150 [0,0,0,0,0,1|1,0,1]=3 46 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,1,1,0,0,0|0,1,1]=4 47 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,1,1,0,0,0|0,1,1]=4 48 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.20 CC(C)Nc1ncc(cn1)Br WXVL_AK0030LQ1546 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.20 CC(C)Nc1ncc(cn1)Br WXVL_AK0030LQ1546 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.20 CC(C)Nc1ncc(cn1)F WXVL_AK0030LP0017 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.20 CC(C)Nc1ncc(cn1)F WXVL_AK0030LP0017 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.20 CC(C)Nc1ncc(cn1)I WXVL_AK0030LP3340 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.20 CC(C)Nc1ncc(cn1)I WXVL_AK0030LP3340 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.20 Cc1cnc(nc1)NC(C)C WXVL_AK0030LP0025 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.20 Cc1cnc(nc1)NC(C)C WXVL_AK0030LP0025 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.86 CC(C)Nc1ncncc1Br WXVL_AK0030LQ2111 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.86 CC(C)Nc1ncncc1Br WXVL_AK0030LQ2111 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.86 CC(C)Nc1ncncc1F WXVL_AK0030LP0435 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.86 CC(C)Nc1ncncc1F WXVL_AK0030LP0435 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.86 CC(C)Nc1ncncc1I WXVL_AK0030LP3348 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.86 CC(C)Nc1ncncc1I WXVL_AK0030LP3348 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.86 Cc1cncnc1NC(C)C WXVL_AK0030LP0053 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.86 Cc1cncnc1NC(C)C WXVL_AK0030LP0053 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.157 CC(C)Nc1ccnc(n1)Br WXVL_AK0030LQ4646 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.157 CC(C)Nc1ccnc(n1)Br WXVL_AK0030LQ4646 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.157 CC(C)Nc1nccc(n1)Br WXVL_AK0030LQ3192 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.157 CC(C)Nc1nccc(n1)Br WXVL_AK0030LQ3192 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.157 Cc1cc(ncn1)NC(C)C WXVL_AK0030LP0109 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.157 Cc1cc(ncn1)NC(C)C WXVL_AK0030LP0109 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.157 Cc1ccnc(n1)NC(C)C WXVL_AK0030LP0007 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.157 Cc1ccnc(n1)NC(C)C WXVL_AK0030LP0007 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.157 Cc1nccc(n1)NC(C)C WXVL_AK0030LP0556 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.157 Cc1nccc(n1)NC(C)C WXVL_AK0030LP0556 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.509 CC(C)(C)Nc1ccncn1 WXVL_AK0024LP3358 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.509 CC(C)(C)Nc1ncccn1 WXVL_AK0024LP0002 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [0,1,0,0,0,1|1,0,1]=4 98 B11R1.25 O=C(CO)NCc1nccs1 WXVL_AK0153SB2706 [0,1,0,0,0,1|1,0,1]=4 99 B11R1.25 O=C(CO)NCc1nccs1 WXVL_AK0153SB2706 [0,1,0,0,0,1|1,0,1]=4 100 B11R1.35 CC(C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0052 [0,1,0,0,0,1|1,0,1]=4 101 B11R1.35 CC(C)C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0052 [0,1,0,0,0,1|1,0,1]=4 102 B11R1.35 CC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0052 [0,1,0,0,0,1|0,1,1]=4 103 B11R1.35 CC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0052 [0,1,0,0,0,1|0,1,1]=4 104 B11R1.35 CC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0052 [0,1,0,0,0,1|0,0,1]=3 105 B11R1.35 CC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0052 [0,1,0,0,0,1|0,0,1]=3 106 B11R1.35 CC(C)C(=O)Nc1ncns1 WXVL_AF2937SB0052 [0,1,0,0,0,1|1,0,1]=4 107 B11R1.35 CC(C)C(=O)Nc1ncns1 WXVL_AF2937SB0052 [0,1,0,0,0,1|1,0,1]=4 108 B11R1.35 CC(S)C(=O)Nc1nccs1 WXVL_AF0003SB2708 [0,1,0,0,0,1|1,0,1]=4 109 B11R1.35 CC(S)C(=O)Nc1nccs1 WXVL_AF0003SB2708 [0,1,0,0,0,1|1,0,1]=4 110 B11R1.35 CN(C)C(=O)Cc1cccs1 WXVL_AN0032SA0018 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.35 CN(C)C(=O)Cc1cccs1 WXVL_AN0032SA0018 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB1085 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB1085 [0,1,0,0,0,1|1,0,1]=4 114 B11R1.75 CC(=O)NCc1ncc(s1)Br WXVL_AK5571SB0150 [0,1,0,0,0,1|1,0,1]=4 115 B11R1.75 CC(=O)NCc1ncc(s1)Br WXVL_AK5571SB0150 [0,1,0,0,0,1|1,0,1]=4 116 B11R1.75 CC(=O)NCc1ncc(s1)C WXVL_AK4049SB0150 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.75 CC(=O)NCc1ncc(s1)C WXVL_AK4049SB0150 [0,1,0,0,0,1|1,0,1]=4 118 B11R1.77 CC(=O)NC(C)c1nccs1 WXVL_AK2109SB0150 [0,1,0,0,0,1|1,0,1]=4 119 B11R1.77 CC(=O)NC(C)c1nccs1 WXVL_AK2109SB0150 [0,1,0,0,0,1|1,0,1]=4 120 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,0,0,1|1,0,1]=4 121 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.77 CC(C)NC(=O)c1nccs1 WXVL_AK0030SC0110 [0,1,0,0,0,1|0,0,1]=3 123 B11R1.77 CC(C)NC(=O)c1nccs1 WXVL_AK0030SC0110 [0,1,0,0,0,1|0,0,1]=3 124 B11R1.173 CN(C)S(=O)(=O)c1nccs1 WXVL_AN0032HU0329 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.173 CN(C)S(=O)(=O)c1nccs1 WXVL_AN0032HU0329 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.314 CN(C)C(=O)c1nc(cs1)Br WXVL_AN0032SC0687 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.314 CN(C)C(=O)c1nc(cs1)Br WXVL_AN0032SC0687 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.314 Cc1cnc(s1)C(=O)N(C)C WXVL_AN0032SC0031 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.314 Cc1cnc(s1)C(=O)N(C)C WXVL_AN0032SC0031 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.314 Cc1csc(n1)C(=O)N(C)C WXVL_AN0032SC0538 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.314 Cc1csc(n1)C(=O)N(C)C WXVL_AN0032SC0538 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.39 CNC(=O)Cc1nc(cs1)Cl WXVL_AK00442SA0305 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.39 CNC(=O)Cc1nc(cs1)Cl WXVL_AK00442SA0305 [0,2,0,0,0,0|1,0,1]=4 134 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,0,0,1,0,1|2,0,0]=4 135 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [0,0,0,1,0,1|2,0,0]=4 136 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,0,0,1,0,1|2,0,0]=4 137 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [0,0,0,1,0,1|2,0,0]=4 138 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,1|2,0,0]=4 139 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,1|2,0,0]=4 140 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,1|2,0,0]=4 141 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,1|2,0,0]=4 142 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,0,0,0,0,2|1,0,0]=3 143 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [0,0,0,0,0,2|1,0,0]=3 144 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,0,0,0,0,2|1,0,0]=3 145 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [0,0,0,0,0,2|1,0,0]=3 146 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,0,0,0,0,2|2,0,0]=4 147 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [0,0,0,0,0,2|2,0,0]=4 148 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,0,0,0,0,2|2,0,0]=4 149 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [0,0,0,0,0,2|2,0,0]=4 150 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,0,0,0,0,2|2,0,0]=4 151 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [0,0,0,0,0,2|2,0,0]=4 152 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,0,0,0,0,2|2,0,0]=4 153 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [0,0,0,0,0,2|2,0,0]=4 154 B11R1.172 CC(=O)NCCc1nccs1 WXVL_AK0181SB0150 [0,0,0,0,0,2|1,0,1]=4 155 B11R1.172 CC(=O)NCCc1nccs1 WXVL_AK0181SB0150 [0,0,0,0,0,2|1,0,1]=4