0 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.6 CNS(=O)(=O)c1nccs1 WXVL_AK00442HU0329 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.6 CNS(=O)(=O)c1nccs1 WXVL_AK00442HU0329 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.14 CNC(=O)c1nc(cs1)Br WXVL_AK00442SC0687 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.14 CNC(=O)c1nc(cs1)Br WXVL_AK00442SC0687 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.14 CNC(=O)c1nc(cs1)C WXVL_AK00442SC0538 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.14 CNC(=O)c1nc(cs1)C WXVL_AK00442SC0538 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.14 CNC(=O)c1ncc(s1)C WXVL_AK00442SC0031 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.14 CNC(=O)c1ncc(s1)C WXVL_AK00442SC0031 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.23 CC(C(=O)N)c1cccs1 WXVL_AK0084SA1203 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.23 CC(C(=O)N)c1cccs1 WXVL_AK0084SA1203 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.23 CN(C)C(=O)c1nccs1 WXVL_AN0032SC0110 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.23 CN(C)C(=O)c1nccs1 WXVL_AN0032SC0110 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.27 CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0064 [0,0,0,0,0,1|2,0,1]=4 23 B10R1.27 CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0064 [0,0,0,0,0,1|2,0,1]=4 24 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [0,0,0,0,0,1|1,1,1]=4 25 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [0,0,0,0,0,1|1,1,1]=4 26 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,0,0,0,0,1|1,0,1]=3 27 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,0,0,0,0,1|1,0,1]=3 28 B10R1.27 CCC(=O)Nc1ncns1 WXVL_AF2937SB0064 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.27 CCC(=O)Nc1ncns1 WXVL_AF2937SB0064 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.27 O=C(CO)Nc1nccs1 WXVL_AF0003SB2706 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.27 O=C(CO)Nc1nccs1 WXVL_AF0003SB2706 [0,0,0,0,0,1|2,0,1]=4 32 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,1,1,0,0,0|0,1,1]=4 33 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,1,1,0,0,0|0,1,1]=4 34 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,1,1,0,0,0|0,1,1]=4 35 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,1,1,0,0,0|0,1,1]=4 36 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.13 CC(=O)Nc1nccs1 WXVL_AF0003SB0150 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.12 CCN(CC)c1ccncn1 WXVL_AN0042LP3358 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.12 CCN(CC)c1ccncn1 WXVL_AN0042LP3358 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.12 CCN(CC)c1ncccn1 WXVL_AN0042LP0002 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.12 CCN(CC)c1ncccn1 WXVL_AN0042LP0002 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.16 CN(CCO)c1ccncn1 WXVL_AN2670LP3358 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.16 CN(CCO)c1ncccn1 WXVL_AN2670LP0002 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.36 CC(C)N(C)c1ccncn1 WXVL_AN0073LP3358 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.36 CC(C)N(C)c1ncccn1 WXVL_AN0073LP0002 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.30 CCCC(=O)Nc1nccs1 WXVL_AF0003SB0073 [0,1,0,0,0,1|1,0,1]=4 51 B11R1.30 CCCC(=O)Nc1nccs1 WXVL_AF0003SB0073 [0,1,0,0,0,1|1,0,1]=4 52 B11R1.30 COCC(=O)Nc1nccs1 WXVL_AF0003SB0090 [0,1,0,0,0,1|1,0,1]=4 53 B11R1.30 COCC(=O)Nc1nccs1 WXVL_AF0003SB0090 [0,1,0,0,0,1|1,0,1]=4 54 B11R1.30 CSCC(=O)Nc1nccs1 WXVL_AF0003SB1267 [0,1,0,0,0,1|1,0,1]=4 55 B11R1.30 CSCC(=O)Nc1nccs1 WXVL_AF0003SB1267 [0,1,0,0,0,1|1,0,1]=4 56 B11R1.35 CC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0052 [0,1,0,0,0,1|1,0,1]=4 57 B11R1.35 CC(C)C(=O)Nc1nccs1 WXVL_AF0003SB0052 [0,1,0,0,0,1|1,0,1]=4 58 B11R1.35 CC(S)C(=O)Nc1nccs1 WXVL_AF0003SB2708 [0,1,0,0,0,1|1,0,1]=4 59 B11R1.35 CC(S)C(=O)Nc1nccs1 WXVL_AF0003SB2708 [0,1,0,0,0,1|1,0,1]=4 60 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB1085 [0,1,0,0,0,1|1,0,1]=4 61 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 WXVL_AF0003SB1085 [0,1,0,0,0,1|1,0,1]=4 62 B11R1.39 CCC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0064 [0,1,0,0,0,1|1,0,1]=4 63 B11R1.39 CCC(=O)Nc1nc(cs1)Br WXVL_AF3498SB0064 [0,1,0,0,0,1|1,0,1]=4 64 B11R1.39 CCC(=O)Nc1nc(cs1)C WXVL_AF0004SB0064 [0,1,0,0,0,1|1,0,1]=4 65 B11R1.39 CCC(=O)Nc1nc(cs1)C WXVL_AF0004SB0064 [0,1,0,0,0,1|1,0,1]=4 66 B11R1.39 CCC(=O)Nc1nc(cs1)O WXVL_AF3701SB0064 [0,1,0,0,0,1|1,0,1]=4 67 B11R1.39 CCC(=O)Nc1nc(cs1)O WXVL_AF3701SB0064 [0,1,0,0,0,1|1,0,1]=4 68 B11R1.39 CCC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0064 [0,1,0,0,0,1|1,0,1]=4 69 B11R1.39 CCC(=O)Nc1ncc(s1)Br WXVL_AF2420SB0064 [0,1,0,0,0,1|1,0,1]=4 70 B11R1.39 CCC(=O)Nc1ncc(s1)C WXVL_AF2555SB0064 [0,1,0,0,0,1|1,0,1]=4 71 B11R1.39 CCC(=O)Nc1ncc(s1)C WXVL_AF2555SB0064 [0,1,0,0,0,1|1,0,1]=4 72 B11R1.39 CCC(=O)Nc1ncc(s1)F WXVL_AF00078SB0064 [0,1,0,0,0,1|1,0,1]=4 73 B11R1.39 CCC(=O)Nc1ncc(s1)F WXVL_AF00078SB0064 [0,1,0,0,0,1|1,0,1]=4 74 B11R1.136 CCS(=O)(=O)Nc1nccs1 WXVL_AF0003HU0028 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.136 CCS(=O)(=O)Nc1nccs1 WXVL_AF0003HU0028 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.33 CCNS(=O)(=O)c1nccs1 WXVL_AK00476HU0329 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.33 CCNS(=O)(=O)c1nccs1 WXVL_AK00476HU0329 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.15 CCNC(=O)c1nc(cs1)Br WXVL_AK00476SC0687 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.15 CCNC(=O)c1nc(cs1)Br WXVL_AK00476SC0687 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.15 CCNC(=O)c1nc(cs1)C WXVL_AK00476SC0538 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.15 CCNC(=O)c1nc(cs1)C WXVL_AK00476SC0538 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.15 CCNC(=O)c1ncc(s1)C WXVL_AK00476SC0031 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.15 CCNC(=O)c1ncc(s1)C WXVL_AK00476SC0031 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.29 CCCNC(=O)c1nccs1 WXVL_AK00504SC0110 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.29 O=C(NCCF)c1nccs1 WXVL_AK00466SC0110 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.29 O=C(NCCF)c1nccs1 WXVL_AK00466SC0110 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.77 CC(=O)NC(C)c1nccs1 WXVL_AK2109SB0150 [0,2,0,0,0,0|0,0,1]=3 89 B11R1.77 CC(=O)NC(C)c1nccs1 WXVL_AK2109SB0150 [0,2,0,0,0,0|0,0,1]=3 90 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 WXVL_AK00667SB0150 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.77 CC(C)NC(=O)c1nccs1 WXVL_AK0030SC0110 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.77 CC(C)NC(=O)c1nccs1 WXVL_AK0030SC0110 [0,2,0,0,0,0|1,0,1]=4 94 B11R2.2 C1=C(CCC1)c2cccs2 WXVL_LR0498BT0967 [0,1,0,1,0,0|1,0,1]=4 95 B11R2.2 C1=C(CCC1)c2ncns2 WXVL_LR0623BT0967 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [1,0,0,0,0,1|2,0,0]=4 97 B9R1.6 CN(C)c1ccncn1 WXVL_AN0032LP3358 [1,0,0,0,0,1|2,0,0]=4 98 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [1,0,0,0,0,1|2,0,0]=4 99 B9R1.6 CN(C)c1ncccn1 WXVL_AN0032LP0002 [1,0,0,0,0,1|2,0,0]=4 100 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,1|2,0,0]=4 101 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,0,0,0,1|2,0,0]=4 102 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,1|2,0,0]=4 103 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [1,0,0,0,0,1|2,0,0]=4 104 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,0,0,0,0,2|1,0,0]=3 105 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [0,0,0,0,0,2|1,0,0]=3 106 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,0,0,0,0,2|1,0,0]=3 107 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [0,0,0,0,0,2|1,0,0]=3 108 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,0,0,0,0,2|2,0,0]=4 109 B11R1.40 C[C@@H](CF)Nc1ccncn1 WXVL_AK00558LP3358 [0,0,0,0,0,2|2,0,0]=4 110 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,0,0,0,0,2|2,0,0]=4 111 B11R1.40 C[C@@H](CF)Nc1ncccn1 WXVL_AK00558LP0002 [0,0,0,0,0,2|2,0,0]=4 112 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,0,0,0,0,2|2,0,0]=4 113 B11R1.40 C[C@@H](CO)Nc1ccncn1 WXVL_AK0109LP3358 [0,0,0,0,0,2|2,0,0]=4 114 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,0,0,0,0,2|2,0,0]=4 115 B11R1.40 C[C@@H](CO)Nc1ncccn1 WXVL_AK0109LP0002 [0,0,0,0,0,2|2,0,0]=4 116 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [0,0,0,0,0,2|1,0,1]=4 117 B11R1.25 CCC(=O)NCc1nccs1 WXVL_AK0153SB0064 [0,0,0,0,0,2|1,0,1]=4