0 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.5919 C=C(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK0761SB0115 [0,0,0,0,0,0|1,0,2]=3 2 B15R1.5919 C=C(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK0761SA0193 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.5919 C=C(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK0761SA0193 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.5919 CC(C)/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0036 [0,0,0,0,0,0|2,0,2]=4 5 B15R1.5919 CC(C)/C=C/C(=O)NCc1ccccc1 WXVL_AK00502SB0036 [0,0,0,0,0,0|2,0,2]=4 6 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [0,0,0,0,0,0|2,0,1]=3 7 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB0354 [0,0,0,0,0,0|2,0,1]=3 8 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 WXVL_AK0018SB0354 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.5919 CC(C)CCC(=O)NCc1ccccn1 WXVL_AK0018SB0354 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 WXVL_AK0020SB0354 [0,0,0,0,0,0|3,0,1]=4 11 B15R1.5919 CC(C)CCC(=O)NCc1cccnc1 WXVL_AK0020SB0354 [0,0,0,0,0,0|3,0,1]=4 12 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 WXVL_AK0021SB0354 [0,0,0,0,0,0|3,0,1]=4 13 B15R1.5919 CC(C)CCC(=O)NCc1ccncc1 WXVL_AK0021SB0354 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,0,0,0,0,0|1,0,0]=1 15 B15R1.5919 CC(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00544SB0115 [0,0,0,0,0,0|1,0,0]=1 16 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,0,0,0,0,0|2,0,0]=2 17 B15R1.5919 CC(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00544SA0193 [0,0,0,0,0,0|2,0,0]=2 18 B15R1.5919 CC(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00544SA2885 [0,0,0,0,0,0|3,0,0]=3 19 B15R1.5919 CC(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00544SA2885 [0,0,0,0,0,0|3,0,0]=3 20 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00544SB0114 [0,0,0,0,0,0|1,0,2]=3 21 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00544SB0114 [0,0,0,0,0,0|1,0,2]=3 22 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 WXVL_AK00544SB0067 [0,0,0,0,0,0|1,0,2]=3 23 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 WXVL_AK00544SB0067 [0,0,0,0,0,0|1,0,2]=3 24 B15R1.5919 CC(C)CNC(=O)CCc1ccccn1 WXVL_AK00544SA0316 [0,0,0,0,0,0|2,0,2]=4 25 B15R1.5919 CC(C)CNC(=O)CCc1ccccn1 WXVL_AK00544SA0316 [0,0,0,0,0,0|2,0,2]=4 26 B15R1.5919 CC(C)CNC(=O)CCc1cccnc1 WXVL_AK00544SA0031 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.5919 CC(C)CNC(=O)CCc1cccnc1 WXVL_AK00544SA0031 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 WXVL_AK00544SB0086 [0,0,0,0,0,0|2,0,1]=3 29 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 WXVL_AK00544SB0086 [0,0,0,0,0,0|2,0,1]=3 30 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 WXVL_AK00544SA0051 [0,0,0,0,0,0|3,0,1]=4 31 B15R1.5919 CC(C)CNC(=O)COc1cccnc1 WXVL_AK00544SA0051 [0,0,0,0,0,0|3,0,1]=4 32 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 WXVL_AK00544SB0113 [0,0,0,0,0,0|2,0,1]=3 33 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 WXVL_AK00544SB0113 [0,0,0,0,0,0|2,0,1]=3 34 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 WXVL_AK00544SA0055 [0,0,0,0,0,0|3,0,1]=4 35 B15R1.5919 CC(C)CNC(=O)CSc1ccncc1 WXVL_AK00544SA0055 [0,0,0,0,0,0|3,0,1]=4 36 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 WXVL_AK00502SB0213 [0,0,0,0,0,0|3,0,1]=4 37 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 WXVL_AK00502SB0213 [0,0,0,0,0,0|3,0,1]=4 38 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,0,0,0,0,0|2,0,0]=2 39 B15R1.5919 CC(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0052SB0115 [0,0,0,0,0,0|2,0,0]=2 40 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,0,0,0,0,0|3,0,0]=3 41 B15R1.5919 CC(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0052SA0193 [0,0,0,0,0,0|3,0,0]=3 42 B15R1.5919 CC(O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0052SA2885 [0,0,0,0,0,0|4,0,0]=4 43 B15R1.5919 CC(O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0052SA2885 [0,0,0,0,0,0|4,0,0]=4 44 B15R1.5919 CC(O)CNC(=O)C#Cc1ccccc1 WXVL_AK0052SB0114 [0,0,0,0,0,0|2,0,2]=4 45 B15R1.5919 CC(O)CNC(=O)C#Cc1ccccc1 WXVL_AK0052SB0114 [0,0,0,0,0,0|2,0,2]=4 46 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 WXVL_AK0052SB0067 [0,0,0,0,0,0|2,0,2]=4 47 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 WXVL_AK0052SB0067 [0,0,0,0,0,0|2,0,2]=4 48 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 WXVL_AK0052SB0086 [0,0,0,0,0,0|3,0,1]=4 49 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 WXVL_AK0052SB0086 [0,0,0,0,0,0|3,0,1]=4 50 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 WXVL_AK0052SB0113 [0,0,0,0,0,0|3,0,1]=4 51 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 WXVL_AK0052SB0113 [0,0,0,0,0,0|3,0,1]=4 52 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB00052 [0,0,0,0,0,0|3,0,1]=4 53 B15R1.5919 CN(C)CCC(=O)NCc1ccccc1 WXVL_AK00502SB00052 [0,0,0,0,0,0|3,0,1]=4 54 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,0,0,0,0,0|2,0,0]=2 55 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0113SB0115 [0,0,0,0,0,0|2,0,0]=2 56 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,0,0,0,0,0|3,0,0]=3 57 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0113SA0193 [0,0,0,0,0,0|3,0,0]=3 58 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0113SA2885 [0,0,0,0,0,0|4,0,0]=4 59 B15R1.5919 C[C@H](O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0113SA2885 [0,0,0,0,0,0|4,0,0]=4 60 B15R1.5919 C[C@H](O)CNC(=O)C#Cc1ccccc1 WXVL_AK0113SB0114 [0,0,0,0,0,0|2,0,2]=4 61 B15R1.5919 C[C@H](O)CNC(=O)C#Cc1ccccc1 WXVL_AK0113SB0114 [0,0,0,0,0,0|2,0,2]=4 62 B15R1.5919 C[C@H](O)CNC(=O)CCc1ccccc1 WXVL_AK0113SB0067 [0,0,0,0,0,0|2,0,2]=4 63 B15R1.5919 C[C@H](O)CNC(=O)CCc1ccccc1 WXVL_AK0113SB0067 [0,0,0,0,0,0|2,0,2]=4 64 B15R1.5919 C[C@H](O)CNC(=O)COc1ccccc1 WXVL_AK0113SB0086 [0,0,0,0,0,0|3,0,1]=4 65 B15R1.5919 C[C@H](O)CNC(=O)COc1ccccc1 WXVL_AK0113SB0086 [0,0,0,0,0,0|3,0,1]=4 66 B15R1.5919 C[C@H](O)CNC(=O)CSc1ccccc1 WXVL_AK0113SB0113 [0,0,0,0,0,0|3,0,1]=4 67 B15R1.5919 C[C@H](O)CNC(=O)CSc1ccccc1 WXVL_AK0113SB0113 [0,0,0,0,0,0|3,0,1]=4 68 B15R1.5919 NC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0147SB0115 [0,0,0,0,0,0|3,0,1]=4 69 B15R1.5919 NC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0147SB0115 [0,0,0,0,0,0|3,0,1]=4 70 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,0,0,0,0,0|3,0,0]=3 71 B15R1.5919 O=C(/C=C/c1ccccc1)NCC(F)F WXVL_AK0136SB0115 [0,0,0,0,0,0|3,0,0]=3 72 B15R1.5919 O=C(/C=C/c1cccnc1)NCC(F)F WXVL_AK0136SA0193 [0,0,0,0,0,0|4,0,0]=4 73 B15R1.5919 O=C(/C=C/c1cccnc1)NCC(F)F WXVL_AK0136SA0193 [0,0,0,0,0,0|4,0,0]=4 74 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [1,0,0,0,0,0|1,0,2]=4 75 B14R1.156 C=CCNC(=O)/C=C/c1ccccc1 WXVL_AK00561SB0115 [1,0,0,0,0,0|1,0,2]=4 76 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,0,0,0,0,0|1,0,0]=2 77 B14R1.156 CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00504SB0115 [1,0,0,0,0,0|1,0,0]=2 78 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [1,0,0,0,0,0|2,0,0]=3 79 B14R1.156 CCCNC(=O)/C=C/c1cccnc1 WXVL_AK00504SA0193 [1,0,0,0,0,0|2,0,0]=3 80 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [1,0,0,0,0,0|3,0,0]=4 81 B14R1.156 CCCNC(=O)/C=C/c1cnccn1 WXVL_AK00504SA2885 [1,0,0,0,0,0|3,0,0]=4 82 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [1,0,0,0,0,0|1,0,2]=4 83 B14R1.156 CCCNC(=O)C#Cc1ccccc1 WXVL_AK00504SB0114 [1,0,0,0,0,0|1,0,2]=4 84 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [1,0,0,0,0,0|1,0,2]=4 85 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [1,0,0,0,0,0|1,0,2]=4 86 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [1,0,0,0,0,0|2,0,1]=4 87 B14R1.156 CCCNC(=O)COc1ccccc1 WXVL_AK00504SB0086 [1,0,0,0,0,0|2,0,1]=4 88 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.156 CCCNC(=O)CSc1ccccc1 WXVL_AK00504SB0113 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.156 N#CCNC(=O)/C=C/c1ccccc1 WXVL_AK0683SB0115 [1,0,0,0,0,0|2,0,1]=4 92 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [1,0,0,0,0,0|2,0,0]=3 93 B14R1.156 O=C(/C=C/c1ccccc1)NCCF WXVL_AK00466SB0115 [1,0,0,0,0,0|2,0,0]=3 94 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [1,0,0,0,0,0|3,0,0]=4 95 B14R1.156 O=C(/C=C/c1cccnc1)NCCF WXVL_AK00466SA0193 [1,0,0,0,0,0|3,0,0]=4 96 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK0761SB3065 [0,1,0,0,0,0|1,0,2]=4 97 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK0761SB3065 [0,1,0,0,0,0|1,0,2]=4 98 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0354 [0,1,0,0,0,0|2,0,1]=4 99 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Br WXVL_AK1632SB0354 [0,1,0,0,0,0|2,0,1]=4 100 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0354 [0,1,0,0,0,0|2,0,1]=4 101 B16R1.400 CC(C)CCC(=O)NCc1ccccc1Cl WXVL_AK0038SB0354 [0,1,0,0,0,0|2,0,1]=4 102 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F WXVL_AK0037SB0354 [0,1,0,0,0,0|2,0,1]=4 103 B16R1.400 CC(C)CCC(=O)NCc1ccccc1F WXVL_AK0037SB0354 [0,1,0,0,0,0|2,0,1]=4 104 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I WXVL_AK3923SB0354 [0,1,0,0,0,0|2,0,1]=4 105 B16R1.400 CC(C)CCC(=O)NCc1ccccc1I WXVL_AK3923SB0354 [0,1,0,0,0,0|2,0,1]=4 106 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O WXVL_AK0963SB0354 [0,1,0,0,0,0|2,0,1]=4 107 B16R1.400 CC(C)CCC(=O)NCc1ccccc1O WXVL_AK0963SB0354 [0,1,0,0,0,0|2,0,1]=4 108 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00544SB3065 [0,1,0,0,0,0|1,0,0]=2 109 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00544SB3065 [0,1,0,0,0,0|1,0,0]=2 110 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Br WXVL_AK00544SB1278 [0,1,0,0,0,0|1,0,2]=4 111 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Br WXVL_AK00544SB1278 [0,1,0,0,0,0|1,0,2]=4 112 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Cl WXVL_AK00544SB0140 [0,1,0,0,0,0|1,0,2]=4 113 B16R1.400 CC(C)CNC(=O)CCc1ccccc1Cl WXVL_AK00544SB0140 [0,1,0,0,0,0|1,0,2]=4 114 B16R1.400 CC(C)CNC(=O)CCc1ccccc1F WXVL_AK00544SB0008 [0,1,0,0,0,0|1,0,2]=4 115 B16R1.400 CC(C)CNC(=O)CCc1ccccc1F WXVL_AK00544SB0008 [0,1,0,0,0,0|1,0,2]=4 116 B16R1.400 CC(C)CNC(=O)COc1ccccc1F WXVL_AK00544SB0441 [0,1,0,0,0,0|2,0,1]=4 117 B16R1.400 CC(C)CNC(=O)COc1ccccc1F WXVL_AK00544SB0441 [0,1,0,0,0,0|2,0,1]=4 118 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0052SB3065 [0,1,0,0,0,0|2,0,0]=3 119 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0052SB3065 [0,1,0,0,0,0|2,0,0]=3 120 B16R1.400 C[C@H](O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0113SB3065 [0,1,0,0,0,0|2,0,0]=3 121 B16R1.400 C[C@H](O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0113SB3065 [0,1,0,0,0,0|2,0,0]=3 122 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)C WXVL_AK00544SB0422 [0,1,0,0,0,0|1,0,2]=4 123 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)C WXVL_AK00544SB0422 [0,1,0,0,0,0|1,0,2]=4 124 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C WXVL_AK0040SB0354 [0,1,0,0,0,0|2,0,1]=4 125 B16R1.400 Cc1ccccc1CNC(=O)CCC(C)C WXVL_AK0040SB0354 [0,1,0,0,0,0|2,0,1]=4 126 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C WXVL_AK00544SB0136 [0,1,0,0,0,0|2,0,1]=4 127 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)C WXVL_AK00544SB0136 [0,1,0,0,0,0|2,0,1]=4 128 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F WXVL_AK0136SB3065 [0,1,0,0,0,0|3,0,0]=4 129 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F WXVL_AK0136SB3065 [0,1,0,0,0,0|3,0,0]=4 130 B16R1.1061 C=C(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0761SB0418 [0,1,0,0,0,0|1,0,2]=4 131 B16R1.1061 C=C(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0761SB0418 [0,1,0,0,0,0|1,0,2]=4 132 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0761SB1122 [0,1,0,0,0,0|1,0,2]=4 133 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0761SB1122 [0,1,0,0,0,0|1,0,2]=4 134 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK0761SB0060 [0,1,0,0,0,0|1,0,2]=4 135 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK0761SB0060 [0,1,0,0,0,0|1,0,2]=4 136 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0761SB0119 [0,1,0,0,0,0|1,0,2]=4 137 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0761SB0119 [0,1,0,0,0,0|1,0,2]=4 138 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0761SB1186 [0,1,0,0,0,0|1,0,2]=4 139 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0761SB1186 [0,1,0,0,0,0|1,0,2]=4 140 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0354 [0,1,0,0,0,0|2,0,1]=4 141 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0354 [0,1,0,0,0,0|2,0,1]=4 142 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0354 [0,1,0,0,0,0|2,0,1]=4 143 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0354 [0,1,0,0,0,0|2,0,1]=4 144 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0354 [0,1,0,0,0,0|2,0,1]=4 145 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0354 [0,1,0,0,0,0|2,0,1]=4 146 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0354 [0,1,0,0,0,0|2,0,1]=4 147 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0354 [0,1,0,0,0,0|2,0,1]=4 148 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0354 [0,1,0,0,0,0|2,0,1]=4 149 B16R1.1061 CC(C)CCC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0354 [0,1,0,0,0,0|2,0,1]=4 150 B16R1.1061 CC(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00544SB0418 [0,1,0,0,0,0|1,0,0]=2 151 B16R1.1061 CC(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00544SB0418 [0,1,0,0,0,0|1,0,0]=2 152 B16R1.1061 CC(C)CNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00544SB3517 [0,1,0,0,0,0|1,0,2]=4 153 B16R1.1061 CC(C)CNC(=O)C#Cc1ccc(cc1)Cl WXVL_AK00544SB3517 [0,1,0,0,0,0|1,0,2]=4 154 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00544SB1122 [0,1,0,0,0,0|1,0,0]=2 155 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00544SB1122 [0,1,0,0,0,0|1,0,0]=2 156 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00544SB0119 [0,1,0,0,0,0|1,0,0]=2 157 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00544SB0119 [0,1,0,0,0,0|1,0,0]=2 158 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00544SB1186 [0,1,0,0,0,0|1,0,0]=2 159 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00544SB1186 [0,1,0,0,0,0|1,0,0]=2 160 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Br WXVL_AK00544SB1166 [0,1,0,0,0,0|1,0,2]=4 161 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)Br WXVL_AK00544SB1166 [0,1,0,0,0,0|1,0,2]=4 162 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)F WXVL_AK00544SB1123 [0,1,0,0,0,0|1,0,2]=4 163 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)F WXVL_AK00544SB1123 [0,1,0,0,0,0|1,0,2]=4 164 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)O WXVL_AK00544SB2324 [0,1,0,0,0,0|1,0,2]=4 165 B16R1.1061 CC(C)CNC(=O)CCc1ccc(cc1)O WXVL_AK00544SB2324 [0,1,0,0,0,0|1,0,2]=4 166 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F WXVL_AK00544SB0088 [0,1,0,0,0,0|2,0,1]=4 167 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)F WXVL_AK00544SB0088 [0,1,0,0,0,0|2,0,1]=4 168 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)O WXVL_AK00544SB3388 [0,1,0,0,0,0|2,0,1]=4 169 B16R1.1061 CC(C)CNC(=O)COc1ccc(cc1)O WXVL_AK00544SB3388 [0,1,0,0,0,0|2,0,1]=4 170 B16R1.1061 CC(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0052SB0418 [0,1,0,0,0,0|2,0,0]=3 171 B16R1.1061 CC(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0052SB0418 [0,1,0,0,0,0|2,0,0]=3 172 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0052SB1122 [0,1,0,0,0,0|2,0,0]=3 173 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0052SB1122 [0,1,0,0,0,0|2,0,0]=3 174 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0052SB0119 [0,1,0,0,0,0|2,0,0]=3 175 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0052SB0119 [0,1,0,0,0,0|2,0,0]=3 176 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0052SB1186 [0,1,0,0,0,0|2,0,0]=3 177 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0052SB1186 [0,1,0,0,0,0|2,0,0]=3 178 B16R1.1061 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0113SB0418 [0,1,0,0,0,0|2,0,0]=3 179 B16R1.1061 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0113SB0418 [0,1,0,0,0,0|2,0,0]=3 180 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0113SB1122 [0,1,0,0,0,0|2,0,0]=3 181 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0113SB1122 [0,1,0,0,0,0|2,0,0]=3 182 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0113SB0119 [0,1,0,0,0,0|2,0,0]=3 183 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0113SB0119 [0,1,0,0,0,0|2,0,0]=3 184 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0113SB1186 [0,1,0,0,0,0|2,0,0]=3 185 B16R1.1061 C[C@H](O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0113SB1186 [0,1,0,0,0,0|2,0,0]=3 186 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C WXVL_AK00544SB0060 [0,1,0,0,0,0|1,0,0]=2 187 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C WXVL_AK00544SB0060 [0,1,0,0,0,0|1,0,0]=2 188 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O WXVL_AK0052SB0060 [0,1,0,0,0,0|2,0,0]=3 189 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O WXVL_AK0052SB0060 [0,1,0,0,0,0|2,0,0]=3 190 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F WXVL_AK0136SB0060 [0,1,0,0,0,0|3,0,0]=4 191 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F WXVL_AK0136SB0060 [0,1,0,0,0,0|3,0,0]=4 192 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0060 [0,1,0,0,0,0|2,0,0]=3 193 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0060 [0,1,0,0,0,0|2,0,0]=3 194 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)C WXVL_AK00544SB0421 [0,1,0,0,0,0|1,0,2]=4 195 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)C WXVL_AK00544SB0421 [0,1,0,0,0,0|1,0,2]=4 196 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C WXVL_AK0048SB0354 [0,1,0,0,0,0|2,0,1]=4 197 B16R1.1061 Cc1ccc(cc1)CNC(=O)CCC(C)C WXVL_AK0048SB0354 [0,1,0,0,0,0|2,0,1]=4 198 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C WXVL_AK00544YV0067 [0,1,0,0,0,0|2,0,1]=4 199 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)C WXVL_AK00544YV0067 [0,1,0,0,0,0|2,0,1]=4 200 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C WXVL_AK00544SB0138 [0,1,0,0,0,0|2,0,1]=4 201 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)C WXVL_AK00544SB0138 [0,1,0,0,0,0|2,0,1]=4 202 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C WXVL_AK00544SB0830 [0,1,0,0,0,0|2,0,1]=4 203 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)C WXVL_AK00544SB0830 [0,1,0,0,0,0|2,0,1]=4 204 B16R1.1061 O=C(/C=C/c1ccc(cc1)O)NCC(F)F WXVL_AK0136SB0418 [0,1,0,0,0,0|3,0,0]=4 205 B16R1.1061 O=C(/C=C/c1ccc(cc1)O)NCC(F)F WXVL_AK0136SB0418 [0,1,0,0,0,0|3,0,0]=4 206 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F WXVL_AK0136SB1122 [0,1,0,0,0,0|3,0,0]=4 207 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F WXVL_AK0136SB1122 [0,1,0,0,0,0|3,0,0]=4 208 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F WXVL_AK0136SB0119 [0,1,0,0,0,0|3,0,0]=4 209 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F WXVL_AK0136SB0119 [0,1,0,0,0,0|3,0,0]=4 210 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F WXVL_AK0136SB1186 [0,1,0,0,0,0|3,0,0]=4 211 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F WXVL_AK0136SB1186 [0,1,0,0,0,0|3,0,0]=4 212 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)C WXVL_AK00544SA1933 [0,1,0,0,0,0|2,0,0]=3 213 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)C WXVL_AK00544SA1933 [0,1,0,0,0,0|2,0,0]=3 214 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)O WXVL_AK0052SA1933 [0,1,0,0,0,0|3,0,0]=4 215 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NCC(C)O WXVL_AK0052SA1933 [0,1,0,0,0,0|3,0,0]=4 216 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NC[C@H](C)O WXVL_AK0113SA1933 [0,1,0,0,0,0|3,0,0]=4 217 B16R1.1284 C/C(=C\c1cccnc1)/C(=O)NC[C@H](C)O WXVL_AK0113SA1933 [0,1,0,0,0,0|3,0,0]=4 218 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C WXVL_AK00544SB0413 [0,1,0,0,0,0|1,0,1]=3 219 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C WXVL_AK00544SB0413 [0,1,0,0,0,0|1,0,1]=3 220 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)O WXVL_AK0052SB0413 [0,1,0,0,0,0|2,0,1]=4 221 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)O WXVL_AK0052SB0413 [0,1,0,0,0,0|2,0,1]=4 222 B16R1.1284 C=C(Cc1ccccc1)C(=O)NC[C@H](C)O WXVL_AK0113SB0413 [0,1,0,0,0,0|2,0,1]=4 223 B16R1.1284 C=C(Cc1ccccc1)C(=O)NC[C@H](C)O WXVL_AK0113SB0413 [0,1,0,0,0,0|2,0,1]=4 224 B16R1.1284 CC(C)CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0354 [0,1,0,0,0,0|2,0,1]=4 225 B16R1.1284 CC(C)CCC(=O)N(C)Cc1ccccc1 WXVL_AN0033SB0354 [0,1,0,0,0,0|2,0,1]=4 226 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 WXVL_AK00544SB3205 [0,1,0,0,0,0|1,0,2]=4 227 B16R1.1284 CC(C)CNC(=O)C(C)Cc1ccccc1 WXVL_AK00544SB3205 [0,1,0,0,0,0|1,0,2]=4 228 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 WXVL_AK00544SB0426 [0,1,0,0,0,0|2,0,1]=4 229 B16R1.1284 CC(C)CNC(=O)C(C)Oc1ccccc1 WXVL_AK00544SB0426 [0,1,0,0,0,0|2,0,1]=4 230 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 WXVL_AK00544SB9992 [0,1,0,0,0,0|2,0,1]=4 231 B16R1.1284 CC(C)CNC(=O)C(C)Sc1ccccc1 WXVL_AK00544SB9992 [0,1,0,0,0,0|2,0,1]=4 232 B16R1.1284 CC(C)CNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00544SB5803 [0,1,0,0,0,0|2,0,1]=4 233 B16R1.1284 CC(C)CNC(=O)[C@@H](C)Oc1ccccc1 WXVL_AK00544SB5803 [0,1,0,0,0,0|2,0,1]=4 234 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK1222SB0115 [0,1,0,0,0,0|2,0,1]=4 235 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK1222SB0115 [0,1,0,0,0,0|2,0,1]=4 236 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [0,1,0,0,0,0|1,0,0]=2 237 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00704SB0115 [0,1,0,0,0,0|1,0,0]=2 238 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00704SA0193 [0,1,0,0,0,0|2,0,0]=3 239 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00704SA0193 [0,1,0,0,0,0|2,0,0]=3 240 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00704SA2885 [0,1,0,0,0,0|3,0,0]=4 241 B16R1.1343 CO[C@H](C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00704SA2885 [0,1,0,0,0,0|3,0,0]=4 242 B16R1.1343 CO[C@H](C)CNC(=O)C#Cc1ccccc1 WXVL_AK00704SB0114 [0,1,0,0,0,0|1,0,2]=4 243 B16R1.1343 CO[C@H](C)CNC(=O)C#Cc1ccccc1 WXVL_AK00704SB0114 [0,1,0,0,0,0|1,0,2]=4 244 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 WXVL_AK00704SB0067 [0,1,0,0,0,0|1,0,2]=4 245 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 WXVL_AK00704SB0067 [0,1,0,0,0,0|1,0,2]=4 246 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 WXVL_AK00704SB0086 [0,1,0,0,0,0|2,0,1]=4 247 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 WXVL_AK00704SB0086 [0,1,0,0,0,0|2,0,1]=4 248 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 WXVL_AK00704SB0113 [0,1,0,0,0,0|2,0,1]=4 249 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 WXVL_AK00704SB0113 [0,1,0,0,0,0|2,0,1]=4 250 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [0,1,0,0,0,0|2,0,0]=3 251 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@@H](F)CO WXVL_AK00590SB0115 [0,1,0,0,0,0|2,0,0]=3 252 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [0,1,0,0,0,0|2,0,0]=3 253 B16R1.1343 O=C(/C=C/c1ccccc1)NC[C@H](O)CO WXVL_AK00483SB0115 [0,1,0,0,0,0|2,0,0]=3 254 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@@H](F)CO WXVL_AK00590SA0193 [0,1,0,0,0,0|3,0,0]=4 255 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@@H](F)CO WXVL_AK00590SA0193 [0,1,0,0,0,0|3,0,0]=4 256 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@H](O)CO WXVL_AK00483SA0193 [0,1,0,0,0,0|3,0,0]=4 257 B16R1.1343 O=C(/C=C/c1cccnc1)NC[C@H](O)CO WXVL_AK00483SA0193 [0,1,0,0,0,0|3,0,0]=4 258 B16R1.1771 CC(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00544HU0026 [0,1,0,0,0,0|2,0,0]=3 259 B16R1.1771 CC(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00544HU0026 [0,1,0,0,0,0|2,0,0]=3 260 B16R1.1771 CC(O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0052HU0026 [0,1,0,0,0,0|3,0,0]=4 261 B16R1.1771 CC(O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0052HU0026 [0,1,0,0,0,0|3,0,0]=4 262 B16R1.1771 C[C@H](O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0113HU0026 [0,1,0,0,0,0|3,0,0]=4 263 B16R1.1771 C[C@H](O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0113HU0026 [0,1,0,0,0,0|3,0,0]=4 264 B16R1.6944 CC(C)CC(O)C(=O)NCc1ccccc1 WXVL_AK00502SB4281 [0,1,0,0,0,0|2,0,1]=4 265 B16R1.6944 CC(C)CC(O)C(=O)NCc1ccccc1 WXVL_AK00502SB4281 [0,1,0,0,0,0|2,0,1]=4 266 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 WXVL_AK00544SB0419 [0,1,0,0,0,0|1,0,2]=4 267 B16R1.7611 CC(C)CNC(=O)CC(C)c1ccccc1 WXVL_AK00544SB0419 [0,1,0,0,0,0|1,0,2]=4 268 B16R1.7611 CC(C)CNC(=O)CC(O)c1ccccc1 WXVL_AK00544SB2325 [0,1,0,0,0,0|1,0,2]=4 269 B16R1.7611 CC(C)CNC(=O)CC(O)c1ccccc1 WXVL_AK00544SB2325 [0,1,0,0,0,0|1,0,2]=4 270 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,1,0,0,0,0|2,0,0]=3 271 B16R1.7611 CC(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00544YV0027 [0,1,0,0,0,0|2,0,0]=3 272 B16R1.7611 CC(C)CNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00544YV0029 [0,1,0,0,0,0|2,0,1]=4 273 B16R1.7611 CC(C)CNC(=O)N[C@@H](C)c1ccccc1 WXVL_AK00544YV0029 [0,1,0,0,0,0|2,0,1]=4 274 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00544YV0061 [0,1,0,0,0,0|2,0,1]=4 275 B16R1.7611 CC(C)CNC(=O)N[C@H](C)c1ccccc1 WXVL_AK00544YV0061 [0,1,0,0,0,0|2,0,1]=4 276 B16R1.7611 CC(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0052YV0027 [0,1,0,0,0,0|3,0,0]=4 277 B16R1.7611 CC(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0052YV0027 [0,1,0,0,0,0|3,0,0]=4 278 B16R1.7611 C[C@H](O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0113YV0027 [0,1,0,0,0,0|3,0,0]=4 279 B16R1.7611 C[C@H](O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0113YV0027 [0,1,0,0,0,0|3,0,0]=4 280 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0761SB1601 [0,1,0,0,0,0|1,0,2]=4 281 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0761SB1601 [0,1,0,0,0,0|1,0,2]=4 282 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0761SB0417 [0,1,0,0,0,0|1,0,2]=4 283 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0761SB0417 [0,1,0,0,0,0|1,0,2]=4 284 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0354 [0,1,0,0,0,0|2,0,1]=4 285 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0354 [0,1,0,0,0,0|2,0,1]=4 286 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0354 [0,1,0,0,0,0|2,0,1]=4 287 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0354 [0,1,0,0,0,0|2,0,1]=4 288 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0354 [0,1,0,0,0,0|2,0,1]=4 289 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)F WXVL_AK0041SB0354 [0,1,0,0,0,0|2,0,1]=4 290 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0354 [0,1,0,0,0,0|2,0,1]=4 291 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)I WXVL_AK1572SB0354 [0,1,0,0,0,0|2,0,1]=4 292 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0354 [0,1,0,0,0,0|2,0,1]=4 293 B16R1.11227 CC(C)CCC(=O)NCc1cccc(c1)O WXVL_AK0974SB0354 [0,1,0,0,0,0|2,0,1]=4 294 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00544SB1601 [0,1,0,0,0,0|1,0,0]=2 295 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00544SB1601 [0,1,0,0,0,0|1,0,0]=2 296 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00544SB0417 [0,1,0,0,0,0|1,0,0]=2 297 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00544SB0417 [0,1,0,0,0,0|1,0,0]=2 298 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Br WXVL_AK00544SB0278 [0,1,0,0,0,0|1,0,2]=4 299 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)Br WXVL_AK00544SB0278 [0,1,0,0,0,0|1,0,2]=4 300 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)O WXVL_AK00544SB3088 [0,1,0,0,0,0|1,0,2]=4 301 B16R1.11227 CC(C)CNC(=O)CCc1cccc(c1)O WXVL_AK00544SB3088 [0,1,0,0,0,0|1,0,2]=4 302 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl WXVL_AK00544SB0493 [0,1,0,0,0,0|2,0,1]=4 303 B16R1.11227 CC(C)CNC(=O)COc1cccc(c1)Cl WXVL_AK00544SB0493 [0,1,0,0,0,0|2,0,1]=4 304 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F WXVL_AK00544YV0073 [0,1,0,0,0,0|2,0,1]=4 305 B16R1.11227 CC(C)CNC(=O)NCc1cccc(c1)F WXVL_AK00544YV0073 [0,1,0,0,0,0|2,0,1]=4 306 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0052SB1601 [0,1,0,0,0,0|2,0,0]=3 307 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0052SB1601 [0,1,0,0,0,0|2,0,0]=3 308 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0052SB0417 [0,1,0,0,0,0|2,0,0]=3 309 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0052SB0417 [0,1,0,0,0,0|2,0,0]=3 310 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0113SB1601 [0,1,0,0,0,0|2,0,0]=3 311 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0113SB1601 [0,1,0,0,0,0|2,0,0]=3 312 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0113SB0417 [0,1,0,0,0,0|2,0,0]=3 313 B16R1.11227 C[C@H](O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0113SB0417 [0,1,0,0,0,0|2,0,0]=3 314 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)C WXVL_AK00544SB1394 [0,1,0,0,0,0|1,0,2]=4 315 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)C WXVL_AK00544SB1394 [0,1,0,0,0,0|1,0,2]=4 316 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C WXVL_AK0045SB0354 [0,1,0,0,0,0|2,0,1]=4 317 B16R1.11227 Cc1cccc(c1)CNC(=O)CCC(C)C WXVL_AK0045SB0354 [0,1,0,0,0,0|2,0,1]=4 318 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C WXVL_AK00544YV0178 [0,1,0,0,0,0|2,0,1]=4 319 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)C WXVL_AK00544YV0178 [0,1,0,0,0,0|2,0,1]=4 320 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F WXVL_AK0136SB1601 [0,1,0,0,0,0|3,0,0]=4 321 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F WXVL_AK0136SB1601 [0,1,0,0,0,0|3,0,0]=4 322 B16R1.11227 O=C(C=Cc1cccc(c1)O)NCC(F)F WXVL_AK0136SB0417 [0,1,0,0,0,0|3,0,0]=4 323 B16R1.11227 O=C(C=Cc1cccc(c1)O)NCC(F)F WXVL_AK0136SB0417 [0,1,0,0,0,0|3,0,0]=4 324 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00655SB0115 [0,1,0,0,0,0|1,0,0]=2 325 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1ccccc1 WXVL_AK00655SB0115 [0,1,0,0,0,0|1,0,0]=2 326 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00655SA0193 [0,1,0,0,0,0|2,0,0]=3 327 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cccnc1 WXVL_AK00655SA0193 [0,1,0,0,0,0|2,0,0]=3 328 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00655SA2885 [0,1,0,0,0,0|3,0,0]=4 329 B16R1.22556 CC(C)(C)CNC(=O)/C=C/c1cnccn1 WXVL_AK00655SA2885 [0,1,0,0,0,0|3,0,0]=4 330 B16R1.22556 CC(C)(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00655SB0114 [0,1,0,0,0,0|1,0,2]=4 331 B16R1.22556 CC(C)(C)CNC(=O)C#Cc1ccccc1 WXVL_AK00655SB0114 [0,1,0,0,0,0|1,0,2]=4 332 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 WXVL_AK00655SB0067 [0,1,0,0,0,0|1,0,2]=4 333 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 WXVL_AK00655SB0067 [0,1,0,0,0,0|1,0,2]=4 334 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 WXVL_AK00655SB0086 [0,1,0,0,0,0|2,0,1]=4 335 B16R1.22556 CC(C)(C)CNC(=O)COc1ccccc1 WXVL_AK00655SB0086 [0,1,0,0,0,0|2,0,1]=4 336 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 WXVL_AK00655SB0113 [0,1,0,0,0,0|2,0,1]=4 337 B16R1.22556 CC(C)(C)CNC(=O)CSc1ccccc1 WXVL_AK00655SB0113 [0,1,0,0,0,0|2,0,1]=4 338 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK00660SB0115 [0,1,0,0,0,0|1,0,0]=2 339 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK00660SB0115 [0,1,0,0,0,0|1,0,0]=2 340 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK00660SA0193 [0,1,0,0,0,0|2,0,0]=3 341 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK00660SA0193 [0,1,0,0,0,0|2,0,0]=3 342 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cnccn1 WXVL_AK00660SA2885 [0,1,0,0,0,0|3,0,0]=4 343 B16R1.22556 CC(C)(F)CNC(=O)/C=C/c1cnccn1 WXVL_AK00660SA2885 [0,1,0,0,0,0|3,0,0]=4 344 B16R1.22556 CC(C)(F)CNC(=O)C#Cc1ccccc1 WXVL_AK00660SB0114 [0,1,0,0,0,0|1,0,2]=4 345 B16R1.22556 CC(C)(F)CNC(=O)C#Cc1ccccc1 WXVL_AK00660SB0114 [0,1,0,0,0,0|1,0,2]=4 346 B16R1.22556 CC(C)(F)CNC(=O)CCc1ccccc1 WXVL_AK00660SB0067 [0,1,0,0,0,0|1,0,2]=4 347 B16R1.22556 CC(C)(F)CNC(=O)CCc1ccccc1 WXVL_AK00660SB0067 [0,1,0,0,0,0|1,0,2]=4 348 B16R1.22556 CC(C)(F)CNC(=O)COc1ccccc1 WXVL_AK00660SB0086 [0,1,0,0,0,0|2,0,1]=4 349 B16R1.22556 CC(C)(F)CNC(=O)COc1ccccc1 WXVL_AK00660SB0086 [0,1,0,0,0,0|2,0,1]=4 350 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 WXVL_AK00660SB0113 [0,1,0,0,0,0|2,0,1]=4 351 B16R1.22556 CC(C)(F)CNC(=O)CSc1ccccc1 WXVL_AK00660SB0113 [0,1,0,0,0,0|2,0,1]=4 352 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0490SB0115 [0,1,0,0,0,0|1,0,0]=2 353 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1ccccc1 WXVL_AK0490SB0115 [0,1,0,0,0,0|1,0,0]=2 354 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0490SA0193 [0,1,0,0,0,0|2,0,0]=3 355 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cccnc1 WXVL_AK0490SA0193 [0,1,0,0,0,0|2,0,0]=3 356 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0490SA2885 [0,1,0,0,0,0|3,0,0]=4 357 B16R1.22556 CC(C)(O)CNC(=O)/C=C/c1cnccn1 WXVL_AK0490SA2885 [0,1,0,0,0,0|3,0,0]=4 358 B16R1.22556 CC(C)(O)CNC(=O)C#Cc1ccccc1 WXVL_AK0490SB0114 [0,1,0,0,0,0|1,0,2]=4 359 B16R1.22556 CC(C)(O)CNC(=O)C#Cc1ccccc1 WXVL_AK0490SB0114 [0,1,0,0,0,0|1,0,2]=4 360 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 WXVL_AK0490SB0067 [0,1,0,0,0,0|1,0,2]=4 361 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 WXVL_AK0490SB0067 [0,1,0,0,0,0|1,0,2]=4 362 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 WXVL_AK0490SB0086 [0,1,0,0,0,0|2,0,1]=4 363 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 WXVL_AK0490SB0086 [0,1,0,0,0,0|2,0,1]=4 364 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 WXVL_AK0490SB0113 [0,1,0,0,0,0|2,0,1]=4 365 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 WXVL_AK0490SB0113 [0,1,0,0,0,0|2,0,1]=4 366 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK0308SB0115 [0,1,0,0,0,0|2,0,0]=3 367 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1ccccc1 WXVL_AK0308SB0115 [0,1,0,0,0,0|2,0,0]=3 368 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK0308SA0193 [0,1,0,0,0,0|3,0,0]=4 369 B16R1.22556 CC(F)(F)CNC(=O)/C=C/c1cccnc1 WXVL_AK0308SA0193 [0,1,0,0,0,0|3,0,0]=4 370 B16R1.22556 O=C(/C=C/c1ccccc1)NCC(F)(F)F WXVL_AK00033SB0115 [0,1,0,0,0,0|3,0,0]=4 371 B16R1.22556 O=C(/C=C/c1ccccc1)NCC(F)(F)F WXVL_AK00033SB0115 [0,1,0,0,0,0|3,0,0]=4 372 B16R2.477 CC(C)CNc1ncc2ccccc2n1 WXVL_AK00544LP0064 [0,0,0,1,0,0|3,0,0]=4 373 B16R2.477 CC(C)CNc1ncc2ccccc2n1 WXVL_AK00544LP0064 [0,0,0,1,0,0|3,0,0]=4 374 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0291SB0115 [0,0,0,1,0,0|1,0,0]=2 375 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0291SB0115 [0,0,0,1,0,0|1,0,0]=2 376 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0291SA0193 [0,0,0,1,0,0|2,0,0]=3 377 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0291SA0193 [0,0,0,1,0,0|2,0,0]=3 378 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN0291SA2885 [0,0,0,1,0,0|3,0,0]=4 379 B16R2.3322 CC1CN(C1)C(=O)/C=C/c2cnccn2 WXVL_AN0291SA2885 [0,0,0,1,0,0|3,0,0]=4 380 B16R2.3322 CC1CN(C1)C(=O)C#Cc2ccccc2 WXVL_AN0291SB0114 [0,0,0,1,0,0|1,0,2]=4 381 B16R2.3322 CC1CN(C1)C(=O)C#Cc2ccccc2 WXVL_AN0291SB0114 [0,0,0,1,0,0|1,0,2]=4 382 B16R2.3322 CC1CN(C1)C(=O)CCc2ccccc2 WXVL_AN0291SB0067 [0,0,0,1,0,0|1,0,2]=4 383 B16R2.3322 CC1CN(C1)C(=O)CCc2ccccc2 WXVL_AN0291SB0067 [0,0,0,1,0,0|1,0,2]=4 384 B16R2.3322 CC1CN(C1)C(=O)COc2ccccc2 WXVL_AN0291SB0086 [0,0,0,1,0,0|2,0,1]=4 385 B16R2.3322 CC1CN(C1)C(=O)COc2ccccc2 WXVL_AN0291SB0086 [0,0,0,1,0,0|2,0,1]=4 386 B16R2.3322 CC1CN(C1)C(=O)CSc2ccccc2 WXVL_AN0291SB0113 [0,0,0,1,0,0|2,0,1]=4 387 B16R2.3322 CC1CN(C1)C(=O)CSc2ccccc2 WXVL_AN0291SB0113 [0,0,0,1,0,0|2,0,1]=4 388 B16R2.3322 O=C(/C=C/c1ccccc1)N2CC(C2)O WXVL_AN0284SB0115 [0,0,0,1,0,0|2,0,0]=3 389 B16R2.3322 O=C(/C=C/c1ccccc1)N2CC(C2)O WXVL_AN0284SB0115 [0,0,0,1,0,0|2,0,0]=3 390 B16R2.3322 O=C(/C=C/c1cccnc1)N2CC(C2)O WXVL_AN0284SA0193 [0,0,0,1,0,0|3,0,0]=4 391 B16R2.3322 O=C(/C=C/c1cccnc1)N2CC(C2)O WXVL_AN0284SA0193 [0,0,0,1,0,0|3,0,0]=4 392 B16R2.44147 CC1(CC1C(=O)NCc2ccccc2)C WXVL_AK00502SB0012 [0,0,0,1,0,0|2,0,1]=4 393 B16R2.44147 CC1(CC1C(=O)NCc2ccccc2)C WXVL_AK00502SB0012 [0,0,0,1,0,0|2,0,1]=4 394 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 WXVL_AK00502SB5360 [0,0,0,1,0,0|2,0,1]=4 395 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 WXVL_AK00502SB5360 [0,0,0,1,0,0|2,0,1]=4 396 B14R1.423 CC(C)/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0036 [0,0,0,0,1,0|2,0,1]=4 397 B14R1.423 CC(C)/C=C/C(=O)Nc1ccccc1 WXVL_AG00183SB0036 [0,0,0,0,1,0|2,0,1]=4 398 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,0,0,0,1,0|2,0,0]=3 399 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB0354 [0,0,0,0,1,0|2,0,0]=3 400 B14R1.423 CC(C)CCC(=O)Nc1ccccn1 WXVL_AF00298SB0354 [0,0,0,0,1,0|3,0,0]=4 401 B14R1.423 CC(C)CCC(=O)Nc1ccccn1 WXVL_AF00298SB0354 [0,0,0,0,1,0|3,0,0]=4 402 B14R1.423 CC(C)CNC(=O)Cc1ccccc1 WXVL_AK00544SB0092 [0,0,0,0,1,0|1,0,1]=3 403 B14R1.423 CC(C)CNC(=O)Cc1ccccc1 WXVL_AK00544SB0092 [0,0,0,0,1,0|1,0,1]=3 404 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 WXVL_AK00544SA0032 [0,0,0,0,1,0|2,0,1]=4 405 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 WXVL_AK00544SA0032 [0,0,0,0,1,0|2,0,1]=4 406 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 WXVL_AK00544SA0029 [0,0,0,0,1,0|2,0,1]=4 407 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 WXVL_AK00544SA0029 [0,0,0,0,1,0|2,0,1]=4 408 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 WXVL_AK00544SB00049 [0,0,0,0,1,0|2,0,1]=4 409 B14R1.423 CC(C)CNC(=O)Cc1cccnc1 WXVL_AK00544SB00049 [0,0,0,0,1,0|2,0,1]=4 410 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 WXVL_AK00544SA00106 [0,0,0,0,1,0|2,0,1]=4 411 B14R1.423 CC(C)CNC(=O)Cc1ccncc1 WXVL_AK00544SA00106 [0,0,0,0,1,0|2,0,1]=4 412 B14R1.423 CC(C)CNC(=O)Nc1ccccn1 WXVL_AK00544YV0189 [0,0,0,0,1,0|3,0,0]=4 413 B14R1.423 CC(C)CNC(=O)Nc1ccccn1 WXVL_AK00544YV0189 [0,0,0,0,1,0|3,0,0]=4 414 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 WXVL_AG00183SB0213 [0,0,0,0,1,0|3,0,0]=4 415 B14R1.423 CC(C)OCC(=O)Nc1ccccc1 WXVL_AG00183SB0213 [0,0,0,0,1,0|3,0,0]=4 416 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 WXVL_AK0052SB0092 [0,0,0,0,1,0|2,0,1]=4 417 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 WXVL_AK0052SB0092 [0,0,0,0,1,0|2,0,1]=4 418 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB00052 [0,0,0,0,1,0|3,0,0]=4 419 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 WXVL_AG00183SB00052 [0,0,0,0,1,0|3,0,0]=4 420 B14R1.423 C[C@H](O)CNC(=O)Cc1ccccc1 WXVL_AK0113SB0092 [0,0,0,0,1,0|2,0,1]=4 421 B14R1.423 C[C@H](O)CNC(=O)Cc1ccccc1 WXVL_AK0113SB0092 [0,0,0,0,1,0|2,0,1]=4 422 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [0,0,0,0,1,0|1,0,1]=3 423 B14R1.818 CC(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0063 [0,0,0,0,1,0|1,0,1]=3 424 B14R1.818 CC(C)CC(=O)NCc1ccccn1 WXVL_AK0018SB0063 [0,0,0,0,1,0|2,0,1]=4 425 B14R1.818 CC(C)CC(=O)NCc1ccccn1 WXVL_AK0018SB0063 [0,0,0,0,1,0|2,0,1]=4 426 B14R1.818 CC(C)CC(=O)NCc1cccnc1 WXVL_AK0020SB0063 [0,0,0,0,1,0|2,0,1]=4 427 B14R1.818 CC(C)CC(=O)NCc1cccnc1 WXVL_AK0020SB0063 [0,0,0,0,1,0|2,0,1]=4 428 B14R1.818 CC(C)CC(=O)NCc1ccncc1 WXVL_AK0021SB0063 [0,0,0,0,1,0|2,0,1]=4 429 B14R1.818 CC(C)CC(=O)NCc1ccncc1 WXVL_AK0021SB0063 [0,0,0,0,1,0|2,0,1]=4 430 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,0,0,0,1,0|1,0,0]=2 431 B14R1.818 CC(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0030SB0115 [0,0,0,0,1,0|1,0,0]=2 432 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,0,0,0,1,0|2,0,0]=3 433 B14R1.818 CC(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0030SA0193 [0,0,0,0,1,0|2,0,0]=3 434 B14R1.818 CC(C)NC(=O)/C=C/c1cnccn1 WXVL_AK0030SA2885 [0,0,0,0,1,0|3,0,0]=4 435 B14R1.818 CC(C)NC(=O)/C=C/c1cnccn1 WXVL_AK0030SA2885 [0,0,0,0,1,0|3,0,0]=4 436 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 WXVL_AK0030SB0114 [0,0,0,0,1,0|1,0,2]=4 437 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 WXVL_AK0030SB0114 [0,0,0,0,1,0|1,0,2]=4 438 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [0,0,0,0,1,0|1,0,2]=4 439 B14R1.818 CC(C)NC(=O)CCc1ccccc1 WXVL_AK0030SB0067 [0,0,0,0,1,0|1,0,2]=4 440 B14R1.818 CC(C)NC(=O)COc1ccccc1 WXVL_AK0030SB0086 [0,0,0,0,1,0|2,0,1]=4 441 B14R1.818 CC(C)NC(=O)COc1ccccc1 WXVL_AK0030SB0086 [0,0,0,0,1,0|2,0,1]=4 442 B14R1.818 CC(C)NC(=O)CSc1ccccc1 WXVL_AK0030SB0113 [0,0,0,0,1,0|2,0,1]=4 443 B14R1.818 CC(C)NC(=O)CSc1ccccc1 WXVL_AK0030SB0113 [0,0,0,0,1,0|2,0,1]=4 444 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [0,0,0,0,1,0|2,0,1]=4 445 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [0,0,0,0,1,0|2,0,1]=4 446 B14R1.818 CN(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0085 [0,0,0,0,1,0|2,0,1]=4 447 B14R1.818 CN(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0085 [0,0,0,0,1,0|2,0,1]=4 448 B14R1.4526 CC(C)CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00544SA0730 [0,0,0,0,1,0|3,0,0]=4 449 B14R1.4526 CC(C)CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00544SA0730 [0,0,0,0,1,0|3,0,0]=4 450 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00544SA0180 [0,0,0,0,1,0|2,0,0]=3 451 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00544SA0180 [0,0,0,0,1,0|2,0,0]=3 452 B14R1.4526 CC(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00544SA0001 [0,0,0,0,1,0|2,0,0]=3 453 B14R1.4526 CC(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00544SA0001 [0,0,0,0,1,0|2,0,0]=3 454 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00544SA0047 [0,0,0,0,1,0|2,0,0]=3 455 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00544SA0047 [0,0,0,0,1,0|2,0,0]=3 456 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00544SA0251 [0,0,0,0,1,0|2,0,0]=3 457 B14R1.4526 CC(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00544SA0251 [0,0,0,0,1,0|2,0,0]=3 458 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccco1 WXVL_AK0052SA0180 [0,0,0,0,1,0|3,0,0]=4 459 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccco1 WXVL_AK0052SA0180 [0,0,0,0,1,0|3,0,0]=4 460 B14R1.4526 CC(O)CNC(=O)/C=C/c1cccs1 WXVL_AK0052SA0001 [0,0,0,0,1,0|3,0,0]=4 461 B14R1.4526 CC(O)CNC(=O)/C=C/c1cccs1 WXVL_AK0052SA0001 [0,0,0,0,1,0|3,0,0]=4 462 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0052SA0047 [0,0,0,0,1,0|3,0,0]=4 463 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0052SA0047 [0,0,0,0,1,0|3,0,0]=4 464 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0052SA0251 [0,0,0,0,1,0|3,0,0]=4 465 B14R1.4526 CC(O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0052SA0251 [0,0,0,0,1,0|3,0,0]=4 466 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccco1 WXVL_AK0113SA0180 [0,0,0,0,1,0|3,0,0]=4 467 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccco1 WXVL_AK0113SA0180 [0,0,0,0,1,0|3,0,0]=4 468 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1cccs1 WXVL_AK0113SA0001 [0,0,0,0,1,0|3,0,0]=4 469 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1cccs1 WXVL_AK0113SA0001 [0,0,0,0,1,0|3,0,0]=4 470 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0113SA0047 [0,0,0,0,1,0|3,0,0]=4 471 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0113SA0047 [0,0,0,0,1,0|3,0,0]=4 472 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0113SA0251 [0,0,0,0,1,0|3,0,0]=4 473 B14R1.4526 C[C@H](O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0113SA0251 [0,0,0,0,1,0|3,0,0]=4 474 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB1301 [0,0,0,0,0,1|2,0,1]=4 475 B16R1.608 CC(C)CCCC(=O)NCc1ccccc1 WXVL_AK00502SB1301 [0,0,0,0,0,1|2,0,1]=4 476 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,0,0,0,0,1|1,0,0]=2 477 B16R1.608 CC(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0068SB0115 [0,0,0,0,0,1|1,0,0]=2 478 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,0,0,0,0,1|2,0,0]=3 479 B16R1.608 CC(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0068SA0193 [0,0,0,0,0,1|2,0,0]=3 480 B16R1.608 CC(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0068SA2885 [0,0,0,0,0,1|3,0,0]=4 481 B16R1.608 CC(C)CCNC(=O)/C=C/c1cnccn1 WXVL_AK0068SA2885 [0,0,0,0,0,1|3,0,0]=4 482 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0068SB0114 [0,0,0,0,0,1|1,0,2]=4 483 B16R1.608 CC(C)CCNC(=O)C#Cc1ccccc1 WXVL_AK0068SB0114 [0,0,0,0,0,1|1,0,2]=4 484 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 WXVL_AK0068SB0067 [0,0,0,0,0,1|1,0,2]=4 485 B16R1.608 CC(C)CCNC(=O)CCc1ccccc1 WXVL_AK0068SB0067 [0,0,0,0,0,1|1,0,2]=4 486 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 WXVL_AK0068SB0086 [0,0,0,0,0,1|2,0,1]=4 487 B16R1.608 CC(C)CCNC(=O)COc1ccccc1 WXVL_AK0068SB0086 [0,0,0,0,0,1|2,0,1]=4 488 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 WXVL_AK0068SB0113 [0,0,0,0,0,1|2,0,1]=4 489 B16R1.608 CC(C)CCNC(=O)CSc1ccccc1 WXVL_AK0068SB0113 [0,0,0,0,0,1|2,0,1]=4 490 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,0,0,0,0,1|2,0,0]=3 491 B16R1.608 CN(C)CCNC(=O)/C=C/c1ccccc1 WXVL_AK0058SB0115 [0,0,0,0,0,1|2,0,0]=3 492 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,0,0,0,0,1|3,0,0]=4 493 B16R1.608 CN(C)CCNC(=O)/C=C/c1cccnc1 WXVL_AK0058SA0193 [0,0,0,0,0,1|3,0,0]=4 494 B16R1.18213 CC(C)CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0354 [0,0,0,0,0,1|1,0,2]=4 495 B16R1.18213 CC(C)CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0354 [0,0,0,0,0,1|1,0,2]=4 496 B16R1.18213 CC(C)CNC(=O)CCCc1ccccc1 WXVL_AK00544SB0121 [0,0,0,0,0,1|1,0,2]=4 497 B16R1.18213 CC(C)CNC(=O)CCCc1ccccc1 WXVL_AK00544SB0121 [0,0,0,0,0,1|1,0,2]=4 498 B16R1.18213 CC(C)CNC(=O)CCOc1ccccc1 WXVL_AK00544SB0066 [0,0,0,0,0,1|1,0,2]=4 499 B16R1.18213 CC(C)CNC(=O)CCOc1ccccc1 WXVL_AK00544SB0066 [0,0,0,0,0,1|1,0,2]=4 500 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 WXVL_AK00544SB0185 [0,0,0,0,0,1|1,0,2]=4 501 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 WXVL_AK00544SB0185 [0,0,0,0,0,1|1,0,2]=4 502 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [2,0,0,0,0,0|1,0,1]=4 503 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [2,0,0,0,0,0|1,0,1]=4 504 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [2,0,0,0,0,0|1,0,0]=3 505 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [2,0,0,0,0,0|1,0,0]=3 506 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [2,0,0,0,0,0|2,0,0]=4 507 B13R1.42 CCNC(=O)/C=C/c1cccnc1 WXVL_AK00476SA0193 [2,0,0,0,0,0|2,0,0]=4 508 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [1,1,0,0,0,0|1,0,1]=4 509 B15R1.78 C#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK3109SB0115 [1,1,0,0,0,0|1,0,1]=4 510 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [1,1,0,0,0,0|1,0,1]=4 511 B15R1.78 C=CCCNC(=O)/C=C/c1ccccc1 WXVL_AK00138SB0115 [1,1,0,0,0,0|1,0,1]=4 512 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [1,1,0,0,0,0|1,0,0]=3 513 B15R1.78 CCCCNC(=O)/C=C/c1ccccc1 WXVL_AK00588SB0115 [1,1,0,0,0,0|1,0,0]=3 514 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [1,1,0,0,0,0|2,0,0]=4 515 B15R1.78 CCCCNC(=O)/C=C/c1cccnc1 WXVL_AK00588SA0193 [1,1,0,0,0,0|2,0,0]=4 516 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [1,1,0,0,0,0|1,0,0]=3 517 B15R1.78 CSCCNC(=O)/C=C/c1ccccc1 WXVL_AK00440SB0115 [1,1,0,0,0,0|1,0,0]=3 518 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [1,1,0,0,0,0|2,0,0]=4 519 B15R1.78 CSCCNC(=O)/C=C/c1cccnc1 WXVL_AK00440SA0193 [1,1,0,0,0,0|2,0,0]=4 520 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [1,1,0,0,0,0|1,0,1]=4 521 B15R1.78 N#CCCNC(=O)/C=C/c1ccccc1 WXVL_AK0087SB0115 [1,1,0,0,0,0|1,0,1]=4 522 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [1,1,0,0,0,0|1,0,0]=3 523 B15R1.78 O=C(/C=C/c1ccccc1)NCCCO WXVL_AK0073SB0115 [1,1,0,0,0,0|1,0,0]=3 524 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [1,1,0,0,0,0|2,0,0]=4 525 B15R1.78 O=C(/C=C/c1cccnc1)NCCCO WXVL_AK0073SA0193 [1,1,0,0,0,0|2,0,0]=4 526 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [1,1,0,0,0,0|2,0,0]=4 527 B15R1.115 CCCNC(=O)NC(=O)c1ccccc1 WXVL_AK00504YV0027 [1,1,0,0,0,0|2,0,0]=4 528 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [1,1,0,0,0,0|1,0,0]=3 529 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00504SB1601 [1,1,0,0,0,0|1,0,0]=3 530 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [1,1,0,0,0,0|1,0,0]=3 531 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)O WXVL_AK00504SB0417 [1,1,0,0,0,0|1,0,0]=3 532 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [1,1,0,0,0,0|2,0,0]=4 533 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF WXVL_AK00466SB1601 [1,1,0,0,0,0|2,0,0]=4 534 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [1,1,0,0,0,0|2,0,0]=4 535 B15R1.127 O=C(C=Cc1cccc(c1)O)NCCF WXVL_AK00466SB0417 [1,1,0,0,0,0|2,0,0]=4 536 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [1,1,0,0,0,0|1,0,0]=3 537 B15R1.139 CCCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00504SB0418 [1,1,0,0,0,0|1,0,0]=3 538 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [1,1,0,0,0,0|1,0,0]=3 539 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00504SB1122 [1,1,0,0,0,0|1,0,0]=3 540 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [1,1,0,0,0,0|1,0,0]=3 541 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C WXVL_AK00504SB0060 [1,1,0,0,0,0|1,0,0]=3 542 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [1,1,0,0,0,0|1,0,0]=3 543 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00504SB0119 [1,1,0,0,0,0|1,0,0]=3 544 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [1,1,0,0,0,0|1,0,0]=3 545 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F WXVL_AK00504SB1186 [1,1,0,0,0,0|1,0,0]=3 546 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [1,1,0,0,0,0|2,0,0]=4 547 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF WXVL_AK00466SB0060 [1,1,0,0,0,0|2,0,0]=4 548 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [1,1,0,0,0,0|2,0,0]=4 549 B15R1.139 O=C(/C=C/c1ccc(cc1)O)NCCF WXVL_AK00466SB0418 [1,1,0,0,0,0|2,0,0]=4 550 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [1,1,0,0,0,0|2,0,0]=4 551 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF WXVL_AK00466SB1122 [1,1,0,0,0,0|2,0,0]=4 552 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [1,1,0,0,0,0|2,0,0]=4 553 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF WXVL_AK00466SB0119 [1,1,0,0,0,0|2,0,0]=4 554 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [1,1,0,0,0,0|2,0,0]=4 555 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF WXVL_AK00466SB1186 [1,1,0,0,0,0|2,0,0]=4 556 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [1,1,0,0,0,0|1,0,1]=4 557 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC WXVL_AK00504SB0413 [1,1,0,0,0,0|1,0,1]=4 558 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [1,1,0,0,0,0|2,0,0]=4 559 B15R1.551 CCCNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00504SA1933 [1,1,0,0,0,0|2,0,0]=4 560 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [1,1,0,0,0,0|1,0,0]=3 561 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1ccccc1 WXVL_AK00678SB0115 [1,1,0,0,0,0|1,0,0]=3 562 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [1,1,0,0,0,0|2,0,0]=4 563 B15R1.741 CC[C@H](C)NC(=O)/C=C/c1cccnc1 WXVL_AK00678SA0193 [1,1,0,0,0,0|2,0,0]=4 564 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [1,1,0,0,0,0|2,0,0]=4 565 B15R1.741 C[C@@H](CF)NC(=O)/C=C/c1ccccc1 WXVL_AK00558SB0115 [1,1,0,0,0,0|2,0,0]=4 566 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [1,1,0,0,0,0|2,0,0]=4 567 B15R1.741 C[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0109SB0115 [1,1,0,0,0,0|2,0,0]=4 568 B15R1.826 CN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN2670SB0115 [1,1,0,0,0,0|2,0,0]=4 569 B15R1.826 CN(CCO)C(=O)/C=C/c1ccccc1 WXVL_AN2670SB0115 [1,1,0,0,0,0|2,0,0]=4 570 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [1,1,0,0,0,0|1,0,0]=3 571 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br WXVL_AK00504SB3065 [1,1,0,0,0,0|1,0,0]=3 572 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [1,1,0,0,0,0|2,0,0]=4 573 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF WXVL_AK00466SB3065 [1,1,0,0,0,0|2,0,0]=4 574 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [1,1,0,0,0,0|2,0,0]=4 575 B15R1.5934 CCCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00504HU0026 [1,1,0,0,0,0|2,0,0]=4 576 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0354 [0,1,0,0,1,0|2,0,0]=4 577 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)Cl WXVL_AG0062SB0354 [0,1,0,0,1,0|2,0,0]=4 578 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0354 [0,1,0,0,1,0|2,0,0]=4 579 B15R1.111 CC(C)CCC(=O)Nc1ccc(cc1)I WXVL_AG1742SB0354 [0,1,0,0,1,0|2,0,0]=4 580 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Br WXVL_AK00544SB0926 [0,1,0,0,1,0|1,0,1]=4 581 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Br WXVL_AK00544SB0926 [0,1,0,0,1,0|1,0,1]=4 582 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00544SB0107 [0,1,0,0,1,0|1,0,1]=4 583 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)Cl WXVL_AK00544SB0107 [0,1,0,0,1,0|1,0,1]=4 584 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)F WXVL_AK00544SB0106 [0,1,0,0,1,0|1,0,1]=4 585 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)F WXVL_AK00544SB0106 [0,1,0,0,1,0|1,0,1]=4 586 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)O WXVL_AK00544SB0110 [0,1,0,0,1,0|1,0,1]=4 587 B15R1.111 CC(C)CNC(=O)Cc1ccc(cc1)O WXVL_AK00544SB0110 [0,1,0,0,1,0|1,0,1]=4 588 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)Cl WXVL_AK00544YV0023 [0,1,0,0,1,0|2,0,0]=4 589 B15R1.111 CC(C)CNC(=O)Nc1ccc(cc1)Cl WXVL_AK00544YV0023 [0,1,0,0,1,0|2,0,0]=4 590 B15R1.111 Cc1ccc(cc1)CC(=O)NCC(C)C WXVL_AK00544SB0112 [0,1,0,0,1,0|1,0,1]=4 591 B15R1.111 Cc1ccc(cc1)CC(=O)NCC(C)C WXVL_AK00544SB0112 [0,1,0,0,1,0|1,0,1]=4 592 B15R1.111 Cc1ccc(cc1)NC(=O)NCC(C)C WXVL_AK00544YV0026 [0,1,0,0,1,0|2,0,0]=4 593 B15R1.111 Cc1ccc(cc1)NC(=O)NCC(C)C WXVL_AK00544YV0026 [0,1,0,0,1,0|2,0,0]=4 594 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0354 [0,1,0,0,1,0|2,0,0]=4 595 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)I WXVL_AG0649SB0354 [0,1,0,0,1,0|2,0,0]=4 596 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0354 [0,1,0,0,1,0|2,0,0]=4 597 B15R1.120 CC(C)CCC(=O)Nc1cccc(c1)O WXVL_AG00200SB0354 [0,1,0,0,1,0|2,0,0]=4 598 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Br WXVL_AK00544SB0099 [0,1,0,0,1,0|1,0,1]=4 599 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Br WXVL_AK00544SB0099 [0,1,0,0,1,0|1,0,1]=4 600 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Cl WXVL_AK00544SB0101 [0,1,0,0,1,0|1,0,1]=4 601 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)Cl WXVL_AK00544SB0101 [0,1,0,0,1,0|1,0,1]=4 602 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)F WXVL_AK00544SB0100 [0,1,0,0,1,0|1,0,1]=4 603 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)F WXVL_AK00544SB0100 [0,1,0,0,1,0|1,0,1]=4 604 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O WXVL_AK00544SB0104 [0,1,0,0,1,0|1,0,1]=4 605 B15R1.120 CC(C)CNC(=O)Cc1cccc(c1)O WXVL_AK00544SB0104 [0,1,0,0,1,0|1,0,1]=4 606 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Br WXVL_AK00544YV0098 [0,1,0,0,1,0|2,0,0]=4 607 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Br WXVL_AK00544YV0098 [0,1,0,0,1,0|2,0,0]=4 608 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Cl WXVL_AK00544YV0016 [0,1,0,0,1,0|2,0,0]=4 609 B15R1.120 CC(C)CNC(=O)Nc1cccc(c1)Cl WXVL_AK00544YV0016 [0,1,0,0,1,0|2,0,0]=4 610 B15R1.120 Cc1cccc(c1)CC(=O)NCC(C)C WXVL_AK00544SB0105 [0,1,0,0,1,0|1,0,1]=4 611 B15R1.120 Cc1cccc(c1)CC(=O)NCC(C)C WXVL_AK00544SB0105 [0,1,0,0,1,0|1,0,1]=4 612 B15R1.120 Cc1cccc(c1)NC(=O)CCC(C)C WXVL_AG0052SB0354 [0,1,0,0,1,0|2,0,0]=4 613 B15R1.120 Cc1cccc(c1)NC(=O)CCC(C)C WXVL_AG0052SB0354 [0,1,0,0,1,0|2,0,0]=4 614 B15R1.120 Cc1cccc(c1)NC(=O)NCC(C)C WXVL_AK00544YV0020 [0,1,0,0,1,0|2,0,0]=4 615 B15R1.120 Cc1cccc(c1)NC(=O)NCC(C)C WXVL_AK00544YV0020 [0,1,0,0,1,0|2,0,0]=4 616 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0354 [0,1,0,0,1,0|2,0,0]=4 617 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Br WXVL_AG00180SB0354 [0,1,0,0,1,0|2,0,0]=4 618 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0354 [0,1,0,0,1,0|2,0,0]=4 619 B15R1.256 CC(C)CCC(=O)Nc1ccccc1Cl WXVL_AG00129SB0354 [0,1,0,0,1,0|2,0,0]=4 620 B15R1.256 CC(C)CCC(=O)Nc1ccccc1I WXVL_AG0385SB0354 [0,1,0,0,1,0|2,0,0]=4 621 B15R1.256 CC(C)CCC(=O)Nc1ccccc1I WXVL_AG0385SB0354 [0,1,0,0,1,0|2,0,0]=4 622 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Br WXVL_AK00544SB0093 [0,1,0,0,1,0|1,0,1]=4 623 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Br WXVL_AK00544SB0093 [0,1,0,0,1,0|1,0,1]=4 624 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl WXVL_AK00544SB0095 [0,1,0,0,1,0|1,0,1]=4 625 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl WXVL_AK00544SB0095 [0,1,0,0,1,0|1,0,1]=4 626 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F WXVL_AK00544SB0094 [0,1,0,0,1,0|1,0,1]=4 627 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F WXVL_AK00544SB0094 [0,1,0,0,1,0|1,0,1]=4 628 B15R1.256 CC(C)CNC(=O)Cc1ccccc1I WXVL_AK00544SB1145 [0,1,0,0,1,0|1,0,1]=4 629 B15R1.256 CC(C)CNC(=O)Cc1ccccc1I WXVL_AK00544SB1145 [0,1,0,0,1,0|1,0,1]=4 630 B15R1.256 CC(C)CNC(=O)Cc1ccccc1O WXVL_AK00544SB0400 [0,1,0,0,1,0|1,0,1]=4 631 B15R1.256 CC(C)CNC(=O)Cc1ccccc1O WXVL_AK00544SB0400 [0,1,0,0,1,0|1,0,1]=4 632 B15R1.256 CC(C)CNC(=O)Nc1ccccc1Br WXVL_AK00544YV0003 [0,1,0,0,1,0|2,0,0]=4 633 B15R1.256 CC(C)CNC(=O)Nc1ccccc1Br WXVL_AK00544YV0003 [0,1,0,0,1,0|2,0,0]=4 634 B15R1.256 CC(C)CNC(=O)Nc1ccccc1Cl WXVL_AK00544YV0007 [0,1,0,0,1,0|2,0,0]=4 635 B15R1.256 CC(C)CNC(=O)Nc1ccccc1Cl WXVL_AK00544YV0007 [0,1,0,0,1,0|2,0,0]=4 636 B15R1.256 Cc1ccccc1CC(=O)NCC(C)C WXVL_AK00544SB0098 [0,1,0,0,1,0|1,0,1]=4 637 B15R1.256 Cc1ccccc1CC(=O)NCC(C)C WXVL_AK00544SB0098 [0,1,0,0,1,0|1,0,1]=4 638 B15R1.256 Cc1ccccc1NC(=O)CCC(C)C WXVL_AG0027SB0354 [0,1,0,0,1,0|2,0,0]=4 639 B15R1.256 Cc1ccccc1NC(=O)CCC(C)C WXVL_AG0027SB0354 [0,1,0,0,1,0|2,0,0]=4 640 B15R1.256 Cc1ccccc1NC(=O)NCC(C)C WXVL_AK00544YV0013 [0,1,0,0,1,0|2,0,0]=4 641 B15R1.256 Cc1ccccc1NC(=O)NCC(C)C WXVL_AK00544YV0013 [0,1,0,0,1,0|2,0,0]=4 642 B15R1.496 CC(C)CC(O)C(=O)Nc1ccccc1 WXVL_AG00183SB4281 [0,1,0,0,1,0|2,0,0]=4 643 B15R1.496 CC(C)CC(O)C(=O)Nc1ccccc1 WXVL_AG00183SB4281 [0,1,0,0,1,0|2,0,0]=4 644 B15R1.964 CO[C@H](C)CNC(=O)Cc1ccccc1 WXVL_AK00704SB0092 [0,1,0,0,1,0|1,0,1]=4 645 B15R1.964 CO[C@H](C)CNC(=O)Cc1ccccc1 WXVL_AK00704SB0092 [0,1,0,0,1,0|1,0,1]=4 646 B15R1.1078 CC(C)CNC(=O)C(=O)c1ccccc1 WXVL_AK00544SB0050 [0,1,0,0,1,0|1,0,0]=3 647 B15R1.1078 CC(C)CNC(=O)C(=O)c1ccccc1 WXVL_AK00544SB0050 [0,1,0,0,1,0|1,0,0]=3 648 B15R1.1078 CC(C)CNC(=O)C(C)c1ccccc1 WXVL_AK00544SB2326 [0,1,0,0,1,0|1,0,1]=4 649 B15R1.1078 CC(C)CNC(=O)C(C)c1ccccc1 WXVL_AK00544SB2326 [0,1,0,0,1,0|1,0,1]=4 650 B15R1.1078 CC(C)CNC(=O)C(O)c1ccccc1 WXVL_AK00544SB0168 [0,1,0,0,1,0|1,0,1]=4 651 B15R1.1078 CC(C)CNC(=O)C(O)c1ccccc1 WXVL_AK00544SB0168 [0,1,0,0,1,0|1,0,1]=4 652 B15R1.1078 CC(O)CNC(=O)C(=O)c1ccccc1 WXVL_AK0052SB0050 [0,1,0,0,1,0|2,0,0]=4 653 B15R1.1078 CC(O)CNC(=O)C(=O)c1ccccc1 WXVL_AK0052SB0050 [0,1,0,0,1,0|2,0,0]=4 654 B15R1.1078 C[C@H](O)CNC(=O)C(=O)c1ccccc1 WXVL_AK0113SB0050 [0,1,0,0,1,0|2,0,0]=4 655 B15R1.1078 C[C@H](O)CNC(=O)C(=O)c1ccccc1 WXVL_AK0113SB0050 [0,1,0,0,1,0|2,0,0]=4 656 B15R1.9108 CC(C)(C)CNC(=O)Cc1ccccc1 WXVL_AK00655SB0092 [0,1,0,0,1,0|1,0,1]=4 657 B15R1.9108 CC(C)(C)CNC(=O)Cc1ccccc1 WXVL_AK00655SB0092 [0,1,0,0,1,0|1,0,1]=4 658 B15R1.9108 CC(C)(F)CNC(=O)Cc1ccccc1 WXVL_AK00660SB0092 [0,1,0,0,1,0|1,0,1]=4 659 B15R1.9108 CC(C)(F)CNC(=O)Cc1ccccc1 WXVL_AK00660SB0092 [0,1,0,0,1,0|1,0,1]=4 660 B15R1.9108 CC(C)(O)CNC(=O)Cc1ccccc1 WXVL_AK0490SB0092 [0,1,0,0,1,0|1,0,1]=4 661 B15R1.9108 CC(C)(O)CNC(=O)Cc1ccccc1 WXVL_AK0490SB0092 [0,1,0,0,1,0|1,0,1]=4 662 B15R1.130 CC(C)CC(=O)NCc1ccccc1Br WXVL_AK1632SB0063 [0,1,0,0,1,0|1,0,1]=4 663 B15R1.130 CC(C)CC(=O)NCc1ccccc1Br WXVL_AK1632SB0063 [0,1,0,0,1,0|1,0,1]=4 664 B15R1.130 CC(C)CC(=O)NCc1ccccc1Cl WXVL_AK0038SB0063 [0,1,0,0,1,0|1,0,1]=4 665 B15R1.130 CC(C)CC(=O)NCc1ccccc1Cl WXVL_AK0038SB0063 [0,1,0,0,1,0|1,0,1]=4 666 B15R1.130 CC(C)CC(=O)NCc1ccccc1F WXVL_AK0037SB0063 [0,1,0,0,1,0|1,0,1]=4 667 B15R1.130 CC(C)CC(=O)NCc1ccccc1F WXVL_AK0037SB0063 [0,1,0,0,1,0|1,0,1]=4 668 B15R1.130 CC(C)CC(=O)NCc1ccccc1I WXVL_AK3923SB0063 [0,1,0,0,1,0|1,0,1]=4 669 B15R1.130 CC(C)CC(=O)NCc1ccccc1I WXVL_AK3923SB0063 [0,1,0,0,1,0|1,0,1]=4 670 B15R1.130 CC(C)CC(=O)NCc1ccccc1O WXVL_AK0963SB0063 [0,1,0,0,1,0|1,0,1]=4 671 B15R1.130 CC(C)CC(=O)NCc1ccccc1O WXVL_AK0963SB0063 [0,1,0,0,1,0|1,0,1]=4 672 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br WXVL_AK0030SB3065 [0,1,0,0,1,0|1,0,0]=3 673 B15R1.130 CC(C)NC(=O)C=Cc1ccccc1Br WXVL_AK0030SB3065 [0,1,0,0,1,0|1,0,0]=3 674 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C WXVL_AK0040SB0063 [0,1,0,0,1,0|1,0,1]=4 675 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C WXVL_AK0040SB0063 [0,1,0,0,1,0|1,0,1]=4 676 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0063 [0,1,0,0,1,0|1,0,1]=4 677 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Br WXVL_AK1474SB0063 [0,1,0,0,1,0|1,0,1]=4 678 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0063 [0,1,0,0,1,0|1,0,1]=4 679 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)Cl WXVL_AK0047SB0063 [0,1,0,0,1,0|1,0,1]=4 680 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0063 [0,1,0,0,1,0|1,0,1]=4 681 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)F WXVL_AK0046SB0063 [0,1,0,0,1,0|1,0,1]=4 682 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0063 [0,1,0,0,1,0|1,0,1]=4 683 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)I WXVL_AK1644SB0063 [0,1,0,0,1,0|1,0,1]=4 684 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0063 [0,1,0,0,1,0|1,0,1]=4 685 B15R1.870 CC(C)CC(=O)NCc1ccc(cc1)O WXVL_AK0926SB0063 [0,1,0,0,1,0|1,0,1]=4 686 B15R1.870 CC(C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0030SB0418 [0,1,0,0,1,0|1,0,0]=3 687 B15R1.870 CC(C)NC(=O)/C=C/c1ccc(cc1)O WXVL_AK0030SB0418 [0,1,0,0,1,0|1,0,0]=3 688 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0030SB1122 [0,1,0,0,1,0|1,0,0]=3 689 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Br WXVL_AK0030SB1122 [0,1,0,0,1,0|1,0,0]=3 690 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0030SB0119 [0,1,0,0,1,0|1,0,0]=3 691 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0030SB0119 [0,1,0,0,1,0|1,0,0]=3 692 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0030SB1186 [0,1,0,0,1,0|1,0,0]=3 693 B15R1.870 CC(C)NC(=O)C=Cc1ccc(cc1)F WXVL_AK0030SB1186 [0,1,0,0,1,0|1,0,0]=3 694 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C WXVL_AK0030SB0060 [0,1,0,0,1,0|1,0,0]=3 695 B15R1.870 Cc1ccc(cc1)C=CC(=O)NC(C)C WXVL_AK0030SB0060 [0,1,0,0,1,0|1,0,0]=3 696 B15R1.870 Cc1ccc(cc1)CNC(=O)CC(C)C WXVL_AK0048SB0063 [0,1,0,0,1,0|1,0,1]=4 697 B15R1.870 Cc1ccc(cc1)CNC(=O)CC(C)C WXVL_AK0048SB0063 [0,1,0,0,1,0|1,0,1]=4 698 B15R1.1076 CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0030YV0027 [0,1,0,0,1,0|2,0,0]=4 699 B15R1.1076 CC(C)NC(=O)NC(=O)c1ccccc1 WXVL_AK0030YV0027 [0,1,0,0,1,0|2,0,0]=4 700 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0062 [0,1,0,0,1,0|1,0,1]=4 701 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 WXVL_AK00502SB0062 [0,1,0,0,1,0|1,0,1]=4 702 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0024SB0115 [0,1,0,0,1,0|1,0,0]=3 703 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1ccccc1 WXVL_AK0024SB0115 [0,1,0,0,1,0|1,0,0]=3 704 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0024SA0193 [0,1,0,0,1,0|2,0,0]=4 705 B15R1.3465 CC(C)(C)NC(=O)/C=C/c1cccnc1 WXVL_AK0024SA0193 [0,1,0,0,1,0|2,0,0]=4 706 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB0163 [0,1,0,0,1,0|1,0,1]=4 707 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB0163 [0,1,0,0,1,0|1,0,1]=4 708 B15R1.3678 CC(C)C(O)C(=O)NCc1ccccc1 WXVL_AK00502SB1147 [0,1,0,0,1,0|1,0,1]=4 709 B15R1.3678 CC(C)C(O)C(=O)NCc1ccccc1 WXVL_AK00502SB1147 [0,1,0,0,1,0|1,0,1]=4 710 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1ccccc1 WXVL_AN0073SB0115 [0,1,0,0,1,0|1,0,0]=3 711 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1ccccc1 WXVL_AN0073SB0115 [0,1,0,0,1,0|1,0,0]=3 712 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1cccnc1 WXVL_AN0073SA0193 [0,1,0,0,1,0|2,0,0]=4 713 B15R1.3678 CC(C)N(C)C(=O)/C=C/c1cccnc1 WXVL_AN0073SA0193 [0,1,0,0,1,0|2,0,0]=4 714 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0063 [0,1,0,0,1,0|1,0,1]=4 715 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Br WXVL_AK1177SB0063 [0,1,0,0,1,0|1,0,1]=4 716 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0063 [0,1,0,0,1,0|1,0,1]=4 717 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)Cl WXVL_AK0094SB0063 [0,1,0,0,1,0|1,0,1]=4 718 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)F WXVL_AK0041SB0063 [0,1,0,0,1,0|1,0,1]=4 719 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)F WXVL_AK0041SB0063 [0,1,0,0,1,0|1,0,1]=4 720 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)I WXVL_AK1572SB0063 [0,1,0,0,1,0|1,0,1]=4 721 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)I WXVL_AK1572SB0063 [0,1,0,0,1,0|1,0,1]=4 722 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)O WXVL_AK0974SB0063 [0,1,0,0,1,0|1,0,1]=4 723 B15R1.8263 CC(C)CC(=O)NCc1cccc(c1)O WXVL_AK0974SB0063 [0,1,0,0,1,0|1,0,1]=4 724 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0030SB1601 [0,1,0,0,1,0|1,0,0]=3 725 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)Cl WXVL_AK0030SB1601 [0,1,0,0,1,0|1,0,0]=3 726 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0030SB0417 [0,1,0,0,1,0|1,0,0]=3 727 B15R1.8263 CC(C)NC(=O)C=Cc1cccc(c1)O WXVL_AK0030SB0417 [0,1,0,0,1,0|1,0,0]=3 728 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(C)C WXVL_AK0045SB0063 [0,1,0,0,1,0|1,0,1]=4 729 B15R1.8263 Cc1cccc(c1)CNC(=O)CC(C)C WXVL_AK0045SB0063 [0,1,0,0,1,0|1,0,1]=4 730 B15R1.12240 CC(C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0030HU0026 [0,1,0,0,1,0|2,0,0]=4 731 B15R1.12240 CC(C)NS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0030HU0026 [0,1,0,0,1,0|2,0,0]=4 732 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1ccco1 WXVL_AK00704SA0180 [0,1,0,0,1,0|2,0,0]=4 733 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1ccco1 WXVL_AK00704SA0180 [0,1,0,0,1,0|2,0,0]=4 734 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1cccs1 WXVL_AK00704SA0001 [0,1,0,0,1,0|2,0,0]=4 735 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1cccs1 WXVL_AK00704SA0001 [0,1,0,0,1,0|2,0,0]=4 736 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00704SA0047 [0,1,0,0,1,0|2,0,0]=4 737 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00704SA0047 [0,1,0,0,1,0|2,0,0]=4 738 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00704SA0251 [0,1,0,0,1,0|2,0,0]=4 739 B15R1.1115 CO[C@H](C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00704SA0251 [0,1,0,0,1,0|2,0,0]=4 740 B15R1.5464 Cc1ccc(s1)/C=C/C(=O)NCC(C)C WXVL_AK00544SA1334 [0,1,0,0,1,0|2,0,0]=4 741 B15R1.5464 Cc1ccc(s1)/C=C/C(=O)NCC(C)C WXVL_AK00544SA1334 [0,1,0,0,1,0|2,0,0]=4 742 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00655SA0180 [0,1,0,0,1,0|2,0,0]=4 743 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1ccco1 WXVL_AK00655SA0180 [0,1,0,0,1,0|2,0,0]=4 744 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00655SA0001 [0,1,0,0,1,0|2,0,0]=4 745 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1cccs1 WXVL_AK00655SA0001 [0,1,0,0,1,0|2,0,0]=4 746 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00655SA0047 [0,1,0,0,1,0|2,0,0]=4 747 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1ccoc1 WXVL_AK00655SA0047 [0,1,0,0,1,0|2,0,0]=4 748 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00655SA0251 [0,1,0,0,1,0|2,0,0]=4 749 B15R1.14834 CC(C)(C)CNC(=O)/C=C/c1ccsc1 WXVL_AK00655SA0251 [0,1,0,0,1,0|2,0,0]=4 750 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1ccco1 WXVL_AK00660SA0180 [0,1,0,0,1,0|2,0,0]=4 751 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1ccco1 WXVL_AK00660SA0180 [0,1,0,0,1,0|2,0,0]=4 752 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1cccs1 WXVL_AK00660SA0001 [0,1,0,0,1,0|2,0,0]=4 753 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1cccs1 WXVL_AK00660SA0001 [0,1,0,0,1,0|2,0,0]=4 754 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1ccoc1 WXVL_AK00660SA0047 [0,1,0,0,1,0|2,0,0]=4 755 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1ccoc1 WXVL_AK00660SA0047 [0,1,0,0,1,0|2,0,0]=4 756 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1ccsc1 WXVL_AK00660SA0251 [0,1,0,0,1,0|2,0,0]=4 757 B15R1.14834 CC(C)(F)CNC(=O)/C=C/c1ccsc1 WXVL_AK00660SA0251 [0,1,0,0,1,0|2,0,0]=4 758 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1ccco1 WXVL_AK0490SA0180 [0,1,0,0,1,0|2,0,0]=4 759 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1ccco1 WXVL_AK0490SA0180 [0,1,0,0,1,0|2,0,0]=4 760 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1cccs1 WXVL_AK0490SA0001 [0,1,0,0,1,0|2,0,0]=4 761 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1cccs1 WXVL_AK0490SA0001 [0,1,0,0,1,0|2,0,0]=4 762 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0490SA0047 [0,1,0,0,1,0|2,0,0]=4 763 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1ccoc1 WXVL_AK0490SA0047 [0,1,0,0,1,0|2,0,0]=4 764 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0490SA0251 [0,1,0,0,1,0|2,0,0]=4 765 B15R1.14834 CC(C)(O)CNC(=O)/C=C/c1ccsc1 WXVL_AK0490SA0251 [0,1,0,0,1,0|2,0,0]=4 766 B17R1.675 CC(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0068YV0027 [0,1,0,0,0,1|2,0,0]=4 767 B17R1.675 CC(C)CCNC(=O)NC(=O)c1ccccc1 WXVL_AK0068YV0027 [0,1,0,0,0,1|2,0,0]=4 768 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0068SB0418 [0,1,0,0,0,1|1,0,0]=3 769 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0068SB0418 [0,1,0,0,0,1|1,0,0]=3 770 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0068SB1122 [0,1,0,0,0,1|1,0,0]=3 771 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0068SB1122 [0,1,0,0,0,1|1,0,0]=3 772 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0068SB0119 [0,1,0,0,0,1|1,0,0]=3 773 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0068SB0119 [0,1,0,0,0,1|1,0,0]=3 774 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0068SB1186 [0,1,0,0,0,1|1,0,0]=3 775 B17R1.1079 CC(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0068SB1186 [0,1,0,0,0,1|1,0,0]=3 776 B17R1.1079 CN(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0058SB0418 [0,1,0,0,0,1|2,0,0]=4 777 B17R1.1079 CN(C)CCNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0058SB0418 [0,1,0,0,0,1|2,0,0]=4 778 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0058SB1122 [0,1,0,0,0,1|2,0,0]=4 779 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0058SB1122 [0,1,0,0,0,1|2,0,0]=4 780 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0058SB0119 [0,1,0,0,0,1|2,0,0]=4 781 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0058SB0119 [0,1,0,0,0,1|2,0,0]=4 782 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0058SB1186 [0,1,0,0,0,1|2,0,0]=4 783 B17R1.1079 CN(C)CCNC(=O)C=Cc1ccc(cc1)F WXVL_AK0058SB1186 [0,1,0,0,0,1|2,0,0]=4 784 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0060 [0,1,0,0,0,1|1,0,0]=3 785 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCC(C)C WXVL_AK0068SB0060 [0,1,0,0,0,1|1,0,0]=3 786 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0060 [0,1,0,0,0,1|2,0,0]=4 787 B17R1.1079 Cc1ccc(cc1)C=CC(=O)NCCN(C)C WXVL_AK0058SB0060 [0,1,0,0,0,1|2,0,0]=4 788 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4143SB0115 [0,1,0,0,0,1|1,0,0]=3 789 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1ccccc1 WXVL_AK4143SB0115 [0,1,0,0,0,1|1,0,0]=3 790 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cccnc1 WXVL_AK4143SA0193 [0,1,0,0,0,1|2,0,0]=4 791 B17R1.1218 CC(CO)CCNC(=O)/C=C/c1cccnc1 WXVL_AK4143SA0193 [0,1,0,0,0,1|2,0,0]=4 792 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0052SB0115 [0,1,0,0,0,1|2,0,0]=4 793 B17R1.5010 CN(C)CCN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0052SB0115 [0,1,0,0,0,1|2,0,0]=4 794 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0068SB3065 [0,1,0,0,0,1|1,0,0]=3 795 B17R1.9015 CC(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0068SB3065 [0,1,0,0,0,1|1,0,0]=3 796 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0058SB3065 [0,1,0,0,0,1|2,0,0]=4 797 B17R1.9015 CN(C)CCNC(=O)C=Cc1ccccc1Br WXVL_AK0058SB3065 [0,1,0,0,0,1|2,0,0]=4 798 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCC(C)C WXVL_AK0068SA1933 [0,1,0,0,0,1|2,0,0]=4 799 B17R1.9289 C/C(=C\c1cccnc1)/C(=O)NCCC(C)C WXVL_AK0068SA1933 [0,1,0,0,0,1|2,0,0]=4 800 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C WXVL_AK0068SB0413 [0,1,0,0,0,1|1,0,1]=4 801 B17R1.9289 C=C(Cc1ccccc1)C(=O)NCCC(C)C WXVL_AK0068SB0413 [0,1,0,0,0,1|1,0,1]=4 802 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0068SB1601 [0,1,0,0,0,1|1,0,0]=3 803 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0068SB1601 [0,1,0,0,0,1|1,0,0]=3 804 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0068SB0417 [0,1,0,0,0,1|1,0,0]=3 805 B17R1.14359 CC(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0068SB0417 [0,1,0,0,0,1|1,0,0]=3 806 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0058SB1601 [0,1,0,0,0,1|2,0,0]=4 807 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0058SB1601 [0,1,0,0,0,1|2,0,0]=4 808 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0058SB0417 [0,1,0,0,0,1|2,0,0]=4 809 B17R1.14359 CN(C)CCNC(=O)C=Cc1cccc(c1)O WXVL_AK0058SB0417 [0,1,0,0,0,1|2,0,0]=4 810 B17R1.16221 CC(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0068HU0026 [0,1,0,0,0,1|2,0,0]=4 811 B17R1.16221 CC(C)CCNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0068HU0026 [0,1,0,0,0,1|2,0,0]=4 812 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1ccccc1 WXVL_AK0938SB0115 [0,1,0,0,0,1|2,0,0]=4 813 B17R1.16524 CC(CN(C)C)NC(=O)/C=C/c1ccccc1 WXVL_AK0938SB0115 [0,1,0,0,0,1|2,0,0]=4 814 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK00415SB0115 [0,1,0,0,0,1|2,0,0]=4 815 B17R1.16633 CN(C)C(=O)CNC(=O)/C=C/c1ccccc1 WXVL_AK00415SB0115 [0,1,0,0,0,1|2,0,0]=4 816 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK1558SB0115 [0,1,0,0,0,1|1,0,0]=3 817 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1ccccc1 WXVL_AK1558SB0115 [0,1,0,0,0,1|1,0,0]=3 818 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cccnc1 WXVL_AK1558SA0193 [0,1,0,0,0,1|2,0,0]=4 819 B17R1.40529 CC(C)(O)CCNC(=O)/C=C/c1cccnc1 WXVL_AK1558SA0193 [0,1,0,0,0,1|2,0,0]=4 820 B17R1.1327 CC(C)CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00544SB0466 [0,1,0,0,0,1|1,0,1]=4 821 B17R1.1327 CC(C)CNC(=O)CNC(=O)c1ccccc1 WXVL_AK00544SB0466 [0,1,0,0,0,1|1,0,1]=4 822 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00704SB3065 [0,2,0,0,0,0|1,0,0]=3 823 B17R1.9042 CO[C@H](C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00704SB3065 [0,2,0,0,0,0|1,0,0]=3 824 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@@H](F)CO WXVL_AK00590SB3065 [0,2,0,0,0,0|2,0,0]=4 825 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@@H](F)CO WXVL_AK00590SB3065 [0,2,0,0,0,0|2,0,0]=4 826 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@H](O)CO WXVL_AK00483SB3065 [0,2,0,0,0,0|2,0,0]=4 827 B17R1.9042 O=C(C=Cc1ccccc1Br)NC[C@H](O)CO WXVL_AK00483SB3065 [0,2,0,0,0,0|2,0,0]=4 828 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00655SB3065 [0,2,0,0,0,0|1,0,0]=3 829 B17R1.11257 CC(C)(C)CNC(=O)C=Cc1ccccc1Br WXVL_AK00655SB3065 [0,2,0,0,0,0|1,0,0]=3 830 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Br WXVL_AK00660SB3065 [0,2,0,0,0,0|1,0,0]=3 831 B17R1.11257 CC(C)(F)CNC(=O)C=Cc1ccccc1Br WXVL_AK00660SB3065 [0,2,0,0,0,0|1,0,0]=3 832 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0490SB3065 [0,2,0,0,0,0|1,0,0]=3 833 B17R1.11257 CC(C)(O)CNC(=O)C=Cc1ccccc1Br WXVL_AK0490SB3065 [0,2,0,0,0,0|1,0,0]=3 834 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Br WXVL_AK0308SB3065 [0,2,0,0,0,0|2,0,0]=4 835 B17R1.11257 CC(F)(F)CNC(=O)C=Cc1ccccc1Br WXVL_AK0308SB3065 [0,2,0,0,0,0|2,0,0]=4 836 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00544SB5557 [0,2,0,0,0,0|1,0,0]=3 837 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK00544SB5557 [0,2,0,0,0,0|1,0,0]=3 838 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00544SB8094 [0,2,0,0,0,0|1,0,0]=3 839 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK00544SB8094 [0,2,0,0,0,0|1,0,0]=3 840 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00544SB1318 [0,2,0,0,0,0|1,0,0]=3 841 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK00544SB1318 [0,2,0,0,0,0|1,0,0]=3 842 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00544SB1257 [0,2,0,0,0,0|1,0,0]=3 843 B17R1.14600 CC(C)CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK00544SB1257 [0,2,0,0,0,0|1,0,0]=3 844 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00544SB0256 [0,2,0,0,0,0|1,0,0]=3 845 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK00544SB0256 [0,2,0,0,0,0|1,0,0]=3 846 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00544SB3115 [0,2,0,0,0,0|1,0,0]=3 847 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK00544SB3115 [0,2,0,0,0,0|1,0,0]=3 848 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00544SB0235 [0,2,0,0,0,0|1,0,0]=3 849 B17R1.14600 CC(C)CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK00544SB0235 [0,2,0,0,0,0|1,0,0]=3 850 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0052SB5557 [0,2,0,0,0,0|2,0,0]=4 851 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0052SB5557 [0,2,0,0,0,0|2,0,0]=4 852 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0052SB8094 [0,2,0,0,0,0|2,0,0]=4 853 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0052SB8094 [0,2,0,0,0,0|2,0,0]=4 854 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0052SB1318 [0,2,0,0,0,0|2,0,0]=4 855 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0052SB1318 [0,2,0,0,0,0|2,0,0]=4 856 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0052SB1257 [0,2,0,0,0,0|2,0,0]=4 857 B17R1.14600 CC(O)CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0052SB1257 [0,2,0,0,0,0|2,0,0]=4 858 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0052SB0256 [0,2,0,0,0,0|2,0,0]=4 859 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0052SB0256 [0,2,0,0,0,0|2,0,0]=4 860 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0052SB3115 [0,2,0,0,0,0|2,0,0]=4 861 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0052SB3115 [0,2,0,0,0,0|2,0,0]=4 862 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0052SB0235 [0,2,0,0,0,0|2,0,0]=4 863 B17R1.14600 CC(O)CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0052SB0235 [0,2,0,0,0,0|2,0,0]=4 864 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0113SB5557 [0,2,0,0,0,0|2,0,0]=4 865 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1Cl)Br WXVL_AK0113SB5557 [0,2,0,0,0,0|2,0,0]=4 866 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0113SB8094 [0,2,0,0,0,0|2,0,0]=4 867 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1Cl)O WXVL_AK0113SB8094 [0,2,0,0,0,0|2,0,0]=4 868 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0113SB1318 [0,2,0,0,0,0|2,0,0]=4 869 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1F)Br WXVL_AK0113SB1318 [0,2,0,0,0,0|2,0,0]=4 870 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0113SB1257 [0,2,0,0,0,0|2,0,0]=4 871 B17R1.14600 C[C@H](O)CNC(=O)/C=C/c1ccc(cc1F)F WXVL_AK0113SB1257 [0,2,0,0,0,0|2,0,0]=4 872 B17R1.14600 C[C@H](O)CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0113SB0256 [0,2,0,0,0,0|2,0,0]=4 873 B17R1.14600 C[C@H](O)CNC(=O)C=Cc1ccc(cc1Cl)Cl WXVL_AK0113SB0256 [0,2,0,0,0,0|2,0,0]=4 874 B17R1.14600 C[C@H](O)CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0113SB3115 [0,2,0,0,0,0|2,0,0]=4 875 B17R1.14600 C[C@H](O)CNC(=O)C=Cc1ccc(cc1Cl)F WXVL_AK0113SB3115 [0,2,0,0,0,0|2,0,0]=4 876 B17R1.14600 C[C@H](O)CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0113SB0235 [0,2,0,0,0,0|2,0,0]=4 877 B17R1.14600 C[C@H](O)CNC(=O)C=Cc1ccc(cc1F)Cl WXVL_AK0113SB0235 [0,2,0,0,0,0|2,0,0]=4 878 B17R1.192 COc1ccc(cc1)/C=C/C(=O)NCC(C)C WXVL_AK00544SB0120 [0,2,0,0,0,0|1,0,0]=3 879 B17R1.192 COc1ccc(cc1)/C=C/C(=O)NCC(C)C WXVL_AK00544SB0120 [0,2,0,0,0,0|1,0,0]=3 880 B17R1.192 COc1ccc(cc1)/C=C/C(=O)NCC(C)O WXVL_AK0052SB0120 [0,2,0,0,0,0|2,0,0]=4 881 B17R1.192 COc1ccc(cc1)/C=C/C(=O)NCC(C)O WXVL_AK0052SB0120 [0,2,0,0,0,0|2,0,0]=4 882 B17R1.192 COc1ccc(cc1)/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0120 [0,2,0,0,0,0|2,0,0]=4 883 B17R1.192 COc1ccc(cc1)/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0120 [0,2,0,0,0,0|2,0,0]=4 884 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00544SB0118 [0,2,0,0,0,0|1,0,0]=3 885 B17R1.1062 CC(C)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK00544SB0118 [0,2,0,0,0,0|1,0,0]=3 886 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0052SB0118 [0,2,0,0,0,0|2,0,0]=4 887 B17R1.1062 CC(O)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0052SB0118 [0,2,0,0,0,0|2,0,0]=4 888 B17R1.1062 C[C@H](O)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0113SB0118 [0,2,0,0,0,0|2,0,0]=4 889 B17R1.1062 C[C@H](O)CNC(=O)C=Cc1ccc(c(c1)Cl)Cl WXVL_AK0113SB0118 [0,2,0,0,0,0|2,0,0]=4 890 B17R1.1121 CC(C)CNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00544SB2710 [0,2,0,0,0,0|1,0,1]=4 891 B17R1.1121 CC(C)CNC(=O)C(=O)Cc1ccc(cc1)O WXVL_AK00544SB2710 [0,2,0,0,0,0|1,0,1]=4 892 B17R1.1402 CO[C@H](C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00704SB0418 [0,2,0,0,0,0|1,0,0]=3 893 B17R1.1402 CO[C@H](C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00704SB0418 [0,2,0,0,0,0|1,0,0]=3 894 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00704SB1122 [0,2,0,0,0,0|1,0,0]=3 895 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00704SB1122 [0,2,0,0,0,0|1,0,0]=3 896 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00704SB0060 [0,2,0,0,0,0|1,0,0]=3 897 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00704SB0060 [0,2,0,0,0,0|1,0,0]=3 898 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00704SB0119 [0,2,0,0,0,0|1,0,0]=3 899 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00704SB0119 [0,2,0,0,0,0|1,0,0]=3 900 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00704SB1186 [0,2,0,0,0,0|1,0,0]=3 901 B17R1.1402 CO[C@H](C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00704SB1186 [0,2,0,0,0,0|1,0,0]=3 902 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0060 [0,2,0,0,0,0|2,0,0]=4 903 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0060 [0,2,0,0,0,0|2,0,0]=4 904 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO WXVL_AK00483SB0060 [0,2,0,0,0,0|2,0,0]=4 905 B17R1.1402 Cc1ccc(cc1)C=CC(=O)NC[C@H](O)CO WXVL_AK00483SB0060 [0,2,0,0,0,0|2,0,0]=4 906 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@@H](F)CO WXVL_AK00590SB0418 [0,2,0,0,0,0|2,0,0]=4 907 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@@H](F)CO WXVL_AK00590SB0418 [0,2,0,0,0,0|2,0,0]=4 908 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@H](O)CO WXVL_AK00483SB0418 [0,2,0,0,0,0|2,0,0]=4 909 B17R1.1402 O=C(/C=C/c1ccc(cc1)O)NC[C@H](O)CO WXVL_AK00483SB0418 [0,2,0,0,0,0|2,0,0]=4 910 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@@H](F)CO WXVL_AK00590SB1122 [0,2,0,0,0,0|2,0,0]=4 911 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@@H](F)CO WXVL_AK00590SB1122 [0,2,0,0,0,0|2,0,0]=4 912 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@H](O)CO WXVL_AK00483SB1122 [0,2,0,0,0,0|2,0,0]=4 913 B17R1.1402 O=C(C=Cc1ccc(cc1)Br)NC[C@H](O)CO WXVL_AK00483SB1122 [0,2,0,0,0,0|2,0,0]=4 914 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@@H](F)CO WXVL_AK00590SB0119 [0,2,0,0,0,0|2,0,0]=4 915 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@@H](F)CO WXVL_AK00590SB0119 [0,2,0,0,0,0|2,0,0]=4 916 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO WXVL_AK00483SB0119 [0,2,0,0,0,0|2,0,0]=4 917 B17R1.1402 O=C(C=Cc1ccc(cc1)Cl)NC[C@H](O)CO WXVL_AK00483SB0119 [0,2,0,0,0,0|2,0,0]=4 918 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@@H](F)CO WXVL_AK00590SB1186 [0,2,0,0,0,0|2,0,0]=4 919 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@@H](F)CO WXVL_AK00590SB1186 [0,2,0,0,0,0|2,0,0]=4 920 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO WXVL_AK00483SB1186 [0,2,0,0,0,0|2,0,0]=4 921 B17R1.1402 O=C(C=Cc1ccc(cc1)F)NC[C@H](O)CO WXVL_AK00483SB1186 [0,2,0,0,0,0|2,0,0]=4 922 B17R1.8288 CC(C)(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00655SB0418 [0,2,0,0,0,0|1,0,0]=3 923 B17R1.8288 CC(C)(C)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00655SB0418 [0,2,0,0,0,0|1,0,0]=3 924 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00655SB1122 [0,2,0,0,0,0|1,0,0]=3 925 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00655SB1122 [0,2,0,0,0,0|1,0,0]=3 926 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00655SB0119 [0,2,0,0,0,0|1,0,0]=3 927 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00655SB0119 [0,2,0,0,0,0|1,0,0]=3 928 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00655SB1186 [0,2,0,0,0,0|1,0,0]=3 929 B17R1.8288 CC(C)(C)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00655SB1186 [0,2,0,0,0,0|1,0,0]=3 930 B17R1.8288 CC(C)(F)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00660SB0418 [0,2,0,0,0,0|1,0,0]=3 931 B17R1.8288 CC(C)(F)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00660SB0418 [0,2,0,0,0,0|1,0,0]=3 932 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00660SB1122 [0,2,0,0,0,0|1,0,0]=3 933 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00660SB1122 [0,2,0,0,0,0|1,0,0]=3 934 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00660SB0119 [0,2,0,0,0,0|1,0,0]=3 935 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00660SB0119 [0,2,0,0,0,0|1,0,0]=3 936 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00660SB1186 [0,2,0,0,0,0|1,0,0]=3 937 B17R1.8288 CC(C)(F)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00660SB1186 [0,2,0,0,0,0|1,0,0]=3 938 B17R1.8288 CC(C)(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0490SB0418 [0,2,0,0,0,0|1,0,0]=3 939 B17R1.8288 CC(C)(O)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0490SB0418 [0,2,0,0,0,0|1,0,0]=3 940 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0490SB1122 [0,2,0,0,0,0|1,0,0]=3 941 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0490SB1122 [0,2,0,0,0,0|1,0,0]=3 942 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0490SB0119 [0,2,0,0,0,0|1,0,0]=3 943 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0490SB0119 [0,2,0,0,0,0|1,0,0]=3 944 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0490SB1186 [0,2,0,0,0,0|1,0,0]=3 945 B17R1.8288 CC(C)(O)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0490SB1186 [0,2,0,0,0,0|1,0,0]=3 946 B17R1.8288 CC(F)(F)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0308SB0418 [0,2,0,0,0,0|2,0,0]=4 947 B17R1.8288 CC(F)(F)CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK0308SB0418 [0,2,0,0,0,0|2,0,0]=4 948 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0308SB1122 [0,2,0,0,0,0|2,0,0]=4 949 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK0308SB1122 [0,2,0,0,0,0|2,0,0]=4 950 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0308SB0119 [0,2,0,0,0,0|2,0,0]=4 951 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK0308SB0119 [0,2,0,0,0,0|2,0,0]=4 952 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0308SB1186 [0,2,0,0,0,0|2,0,0]=4 953 B17R1.8288 CC(F)(F)CNC(=O)C=Cc1ccc(cc1)F WXVL_AK0308SB1186 [0,2,0,0,0,0|2,0,0]=4 954 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)C WXVL_AK00655SB0060 [0,2,0,0,0,0|1,0,0]=3 955 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)C WXVL_AK00655SB0060 [0,2,0,0,0,0|1,0,0]=3 956 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)F WXVL_AK00660SB0060 [0,2,0,0,0,0|1,0,0]=3 957 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)F WXVL_AK00660SB0060 [0,2,0,0,0,0|1,0,0]=3 958 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)O WXVL_AK0490SB0060 [0,2,0,0,0,0|1,0,0]=3 959 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(C)O WXVL_AK0490SB0060 [0,2,0,0,0,0|1,0,0]=3 960 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(F)F WXVL_AK0308SB0060 [0,2,0,0,0,0|2,0,0]=4 961 B17R1.8288 Cc1ccc(cc1)C=CC(=O)NCC(C)(F)F WXVL_AK0308SB0060 [0,2,0,0,0,0|2,0,0]=4 962 B17R1.1375 C=C(Cc1ccccc1)C(=O)NC[C@@H](C)OC WXVL_AK00704SB0413 [0,2,0,0,0,0|1,0,1]=4 963 B17R1.1375 C=C(Cc1ccccc1)C(=O)NC[C@@H](C)OC WXVL_AK00704SB0413 [0,2,0,0,0,0|1,0,1]=4 964 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00704SA1933 [0,2,0,0,0,0|2,0,0]=4 965 B17R1.1375 CO[C@H](C)CNC(=O)/C(=C/c1cccnc1)/C WXVL_AK00704SA1933 [0,2,0,0,0,0|2,0,0]=4 966 B17R1.16665 C/C(=C\c1cccnc1)/C(=O)NCC(C)(C)C WXVL_AK00655SA1933 [0,2,0,0,0,0|2,0,0]=4 967 B17R1.16665 C/C(=C\c1cccnc1)/C(=O)NCC(C)(C)C WXVL_AK00655SA1933 [0,2,0,0,0,0|2,0,0]=4 968 B17R1.16665 C/C(=C\c1cccnc1)/C(=O)NCC(C)(C)F WXVL_AK00660SA1933 [0,2,0,0,0,0|2,0,0]=4 969 B17R1.16665 C/C(=C\c1cccnc1)/C(=O)NCC(C)(C)F WXVL_AK00660SA1933 [0,2,0,0,0,0|2,0,0]=4 970 B17R1.16665 C/C(=C\c1cccnc1)/C(=O)NCC(C)(C)O WXVL_AK0490SA1933 [0,2,0,0,0,0|2,0,0]=4 971 B17R1.16665 C/C(=C\c1cccnc1)/C(=O)NCC(C)(C)O WXVL_AK0490SA1933 [0,2,0,0,0,0|2,0,0]=4 972 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)C WXVL_AK00655SB0413 [0,2,0,0,0,0|1,0,1]=4 973 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)C WXVL_AK00655SB0413 [0,2,0,0,0,0|1,0,1]=4 974 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)F WXVL_AK00660SB0413 [0,2,0,0,0,0|1,0,1]=4 975 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)F WXVL_AK00660SB0413 [0,2,0,0,0,0|1,0,1]=4 976 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)O WXVL_AK0490SB0413 [0,2,0,0,0,0|1,0,1]=4 977 B17R1.16665 C=C(Cc1ccccc1)C(=O)NCC(C)(C)O WXVL_AK0490SB0413 [0,2,0,0,0,0|1,0,1]=4 978 B17R1.1357 CO[C@H](C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00704YV0027 [0,2,0,0,0,0|2,0,0]=4 979 B17R1.1357 CO[C@H](C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00704YV0027 [0,2,0,0,0,0|2,0,0]=4 980 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00704SB1601 [0,2,0,0,0,0|1,0,0]=3 981 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00704SB1601 [0,2,0,0,0,0|1,0,0]=3 982 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00704SB0417 [0,2,0,0,0,0|1,0,0]=3 983 B17R1.1403 CO[C@H](C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00704SB0417 [0,2,0,0,0,0|1,0,0]=3 984 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@@H](F)CO WXVL_AK00590SB1601 [0,2,0,0,0,0|2,0,0]=4 985 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@@H](F)CO WXVL_AK00590SB1601 [0,2,0,0,0,0|2,0,0]=4 986 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO WXVL_AK00483SB1601 [0,2,0,0,0,0|2,0,0]=4 987 B17R1.1403 O=C(C=Cc1cccc(c1)Cl)NC[C@H](O)CO WXVL_AK00483SB1601 [0,2,0,0,0,0|2,0,0]=4 988 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@@H](F)CO WXVL_AK00590SB0417 [0,2,0,0,0,0|2,0,0]=4 989 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@@H](F)CO WXVL_AK00590SB0417 [0,2,0,0,0,0|2,0,0]=4 990 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@H](O)CO WXVL_AK00483SB0417 [0,2,0,0,0,0|2,0,0]=4 991 B17R1.1403 O=C(C=Cc1cccc(c1)O)NC[C@H](O)CO WXVL_AK00483SB0417 [0,2,0,0,0,0|2,0,0]=4 992 B17R1.13184 CC(C)(CO)CNC(=O)/C=C/c1ccccc1 WXVL_AK0104SB0115 [0,2,0,0,0,0|1,0,0]=3 993 B17R1.13184 CC(C)(CO)CNC(=O)/C=C/c1ccccc1 WXVL_AK0104SB0115 [0,2,0,0,0,0|1,0,0]=3 994 B17R1.13184 CC(C)(CO)CNC(=O)/C=C/c1cccnc1 WXVL_AK0104SA0193 [0,2,0,0,0,0|2,0,0]=4 995 B17R1.13184 CC(C)(CO)CNC(=O)/C=C/c1cccnc1 WXVL_AK0104SA0193 [0,2,0,0,0,0|2,0,0]=4 996 B17R1.26714 CO[C@H](C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00704HU0026 [0,2,0,0,0,0|2,0,0]=4 997 B17R1.26714 CO[C@H](C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00704HU0026 [0,2,0,0,0,0|2,0,0]=4 998 B17R1.264423 CC(C)(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00655HU0026 [0,2,0,0,0,0|2,0,0]=4 999 B17R1.264423 CC(C)(C)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00655HU0026 [0,2,0,0,0,0|2,0,0]=4 1000 B17R1.264423 CC(C)(F)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00660HU0026 [0,2,0,0,0,0|2,0,0]=4 1001 B17R1.264423 CC(C)(F)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK00660HU0026 [0,2,0,0,0,0|2,0,0]=4 1002 B17R1.264423 CC(C)(O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0490HU0026 [0,2,0,0,0,0|2,0,0]=4 1003 B17R1.264423 CC(C)(O)CNS(=O)(=O)/C=C/c1ccccc1 WXVL_AK0490HU0026 [0,2,0,0,0,0|2,0,0]=4 1004 B17R1.19899 CC(C)C(CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0106SB0115 [0,2,0,0,0,0|1,0,0]=3 1005 B17R1.19899 CC(C)C(CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0106SB0115 [0,2,0,0,0,0|1,0,0]=3 1006 B17R1.19899 CC(C)C(CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0106SA0193 [0,2,0,0,0,0|2,0,0]=4 1007 B17R1.19899 CC(C)C(CO)NC(=O)/C=C/c1cccnc1 WXVL_AK0106SA0193 [0,2,0,0,0,0|2,0,0]=4 1008 B17R1.19899 CC[C@H](NC(=O)/C=C/c1ccccc1)[C@@H](C)O WXVL_AK00602SB0115 [0,2,0,0,0,0|2,0,0]=4 1009 B17R1.19899 CC[C@H](NC(=O)/C=C/c1ccccc1)[C@@H](C)O WXVL_AK00602SB0115 [0,2,0,0,0,0|2,0,0]=4 1010 B17R1.19899 C[C@@H](O)[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0126SB0115 [0,2,0,0,0,0|2,0,0]=4 1011 B17R1.19899 C[C@@H](O)[C@@H](CO)NC(=O)/C=C/c1ccccc1 WXVL_AK0126SB0115 [0,2,0,0,0,0|2,0,0]=4 1012 B17R1.16667 CC(C)(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00655YV0027 [0,2,0,0,0,0|2,0,0]=4 1013 B17R1.16667 CC(C)(C)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00655YV0027 [0,2,0,0,0,0|2,0,0]=4 1014 B17R1.16667 CC(C)(F)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00660YV0027 [0,2,0,0,0,0|2,0,0]=4 1015 B17R1.16667 CC(C)(F)CNC(=O)NC(=O)c1ccccc1 WXVL_AK00660YV0027 [0,2,0,0,0,0|2,0,0]=4 1016 B17R1.16667 CC(C)(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0490YV0027 [0,2,0,0,0,0|2,0,0]=4 1017 B17R1.16667 CC(C)(O)CNC(=O)NC(=O)c1ccccc1 WXVL_AK0490YV0027 [0,2,0,0,0,0|2,0,0]=4 1018 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00544SB1124 [0,2,0,0,0,0|1,0,0]=3 1019 B17R1.8189 CC(C)CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK00544SB1124 [0,2,0,0,0,0|1,0,0]=3 1020 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0052SB1124 [0,2,0,0,0,0|2,0,0]=4 1021 B17R1.8189 CC(O)CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0052SB1124 [0,2,0,0,0,0|2,0,0]=4 1022 B17R1.8189 C[C@H](O)CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0113SB1124 [0,2,0,0,0,0|2,0,0]=4 1023 B17R1.8189 C[C@H](O)CNC(=O)C=Cc1cc(cc(c1)F)F WXVL_AK0113SB1124 [0,2,0,0,0,0|2,0,0]=4 1024 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00655SB1601 [0,2,0,0,0,0|1,0,0]=3 1025 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00655SB1601 [0,2,0,0,0,0|1,0,0]=3 1026 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00655SB0417 [0,2,0,0,0,0|1,0,0]=3 1027 B17R1.8834 CC(C)(C)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00655SB0417 [0,2,0,0,0,0|1,0,0]=3 1028 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00660SB1601 [0,2,0,0,0,0|1,0,0]=3 1029 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00660SB1601 [0,2,0,0,0,0|1,0,0]=3 1030 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00660SB0417 [0,2,0,0,0,0|1,0,0]=3 1031 B17R1.8834 CC(C)(F)CNC(=O)C=Cc1cccc(c1)O WXVL_AK00660SB0417 [0,2,0,0,0,0|1,0,0]=3 1032 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0490SB1601 [0,2,0,0,0,0|1,0,0]=3 1033 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0490SB1601 [0,2,0,0,0,0|1,0,0]=3 1034 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0490SB0417 [0,2,0,0,0,0|1,0,0]=3 1035 B17R1.8834 CC(C)(O)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0490SB0417 [0,2,0,0,0,0|1,0,0]=3 1036 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0308SB1601 [0,2,0,0,0,0|2,0,0]=4 1037 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK0308SB1601 [0,2,0,0,0,0|2,0,0]=4 1038 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0308SB0417 [0,2,0,0,0,0|2,0,0]=4 1039 B17R1.8834 CC(F)(F)CNC(=O)C=Cc1cccc(c1)O WXVL_AK0308SB0417 [0,2,0,0,0,0|2,0,0]=4 1040 B17R1.28454 CC(C)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00544SB2454 [0,2,0,0,0,0|1,0,0]=3 1041 B17R1.28454 CC(C)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK00544SB2454 [0,2,0,0,0,0|1,0,0]=3 1042 B17R1.28454 CC(O)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0052SB2454 [0,2,0,0,0,0|2,0,0]=4 1043 B17R1.28454 CC(O)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0052SB2454 [0,2,0,0,0,0|2,0,0]=4 1044 B17R1.28454 COc1cccc(c1)C=CC(=O)NCC(C)C WXVL_AK00544SB0458 [0,2,0,0,0,0|1,0,0]=3 1045 B17R1.28454 COc1cccc(c1)C=CC(=O)NCC(C)C WXVL_AK00544SB0458 [0,2,0,0,0,0|1,0,0]=3 1046 B17R1.28454 COc1cccc(c1)C=CC(=O)NCC(C)O WXVL_AK0052SB0458 [0,2,0,0,0,0|2,0,0]=4 1047 B17R1.28454 COc1cccc(c1)C=CC(=O)NCC(C)O WXVL_AK0052SB0458 [0,2,0,0,0,0|2,0,0]=4 1048 B17R1.28454 COc1cccc(c1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0458 [0,2,0,0,0,0|2,0,0]=4 1049 B17R1.28454 COc1cccc(c1)C=CC(=O)NC[C@H](C)O WXVL_AK0113SB0458 [0,2,0,0,0,0|2,0,0]=4 1050 B17R1.28454 C[C@H](O)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0113SB2454 [0,2,0,0,0,0|2,0,0]=4 1051 B17R1.28454 C[C@H](O)CNC(=O)/C=C/c1cccc(c1)C#N WXVL_AK0113SB2454 [0,2,0,0,0,0|2,0,0]=4 1052 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [1,0,0,1,0,0|1,0,0]=3 1053 B15R2.24494 O=C(/C=C/c1ccccc1)NC2CC2 WXVL_AK0001SB0115 [1,0,0,1,0,0|1,0,0]=3 1054 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [1,0,0,1,0,0|2,0,0]=4 1055 B15R2.24494 O=C(/C=C/c1cccnc1)NC2CC2 WXVL_AK0001SA0193 [1,0,0,1,0,0|2,0,0]=4 1056 B15R2.596 CC1CN(C1)C(=O)Cc2ccccc2 WXVL_AN0291SB0092 [0,0,0,1,1,0|1,0,1]=4 1057 B15R2.596 CC1CN(C1)C(=O)Cc2ccccc2 WXVL_AN0291SB0092 [0,0,0,1,1,0|1,0,1]=4 1058 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 WXVL_AG00183SB5360 [0,0,0,1,1,0|2,0,0]=4 1059 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 WXVL_AG00183SB5360 [0,0,0,1,1,0|2,0,0]=4 1060 B15R2.16445 CC1(CC1C(=O)Nc2ccccc2)C WXVL_AG00183SB0012 [0,0,0,1,1,0|2,0,0]=4 1061 B15R2.16445 CC1(CC1C(=O)Nc2ccccc2)C WXVL_AG00183SB0012 [0,0,0,1,1,0|2,0,0]=4 1062 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2ccco2 WXVL_AN0291SA0180 [0,0,0,1,1,0|2,0,0]=4 1063 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2ccco2 WXVL_AN0291SA0180 [0,0,0,1,1,0|2,0,0]=4 1064 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2cccs2 WXVL_AN0291SA0001 [0,0,0,1,1,0|2,0,0]=4 1065 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2cccs2 WXVL_AN0291SA0001 [0,0,0,1,1,0|2,0,0]=4 1066 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN0291SA0047 [0,0,0,1,1,0|2,0,0]=4 1067 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2ccoc2 WXVL_AN0291SA0047 [0,0,0,1,1,0|2,0,0]=4 1068 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN0291SA0251 [0,0,0,1,1,0|2,0,0]=4 1069 B15R2.1095 CC1CN(C1)C(=O)/C=C/c2ccsc2 WXVL_AN0291SA0251 [0,0,0,1,1,0|2,0,0]=4 1070 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0556SB0115 [0,0,0,1,0,1|1,0,0]=3 1071 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN0556SB0115 [0,0,0,1,0,1|1,0,0]=3 1072 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0556SA0193 [0,0,0,1,0,1|2,0,0]=4 1073 B17R2.3231 CC1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN0556SA0193 [0,0,0,1,0,1|2,0,0]=4 1074 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00488SB0115 [0,0,0,1,0,1|1,0,0]=3 1075 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00488SB0115 [0,0,0,1,0,1|1,0,0]=3 1076 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00488SA0193 [0,0,0,1,0,1|2,0,0]=4 1077 B17R2.3231 C[C@@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00488SA0193 [0,0,0,1,0,1|2,0,0]=4 1078 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00094SB0115 [0,0,0,1,0,1|1,0,0]=3 1079 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2ccccc2 WXVL_AN00094SB0115 [0,0,0,1,0,1|1,0,0]=3 1080 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00094SA0193 [0,0,0,1,0,1|2,0,0]=4 1081 B17R2.3231 C[C@H]1CCN(C1)C(=O)/C=C/c2cccnc2 WXVL_AN00094SA0193 [0,0,0,1,0,1|2,0,0]=4 1082 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)Br WXVL_AN00715SB0115 [0,0,0,1,0,1|2,0,0]=4 1083 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)F WXVL_AN00338SB0115 [0,0,0,1,0,1|2,0,0]=4 1084 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)F WXVL_AN00338SB0115 [0,0,0,1,0,1|2,0,0]=4 1085 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)O WXVL_AN0158SB0115 [0,0,0,1,0,1|2,0,0]=4 1086 B17R2.3231 O=C(/C=C/c1ccccc1)N2CCC(C2)O WXVL_AN0158SB0115 [0,0,0,1,0,1|2,0,0]=4 1087 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)O WXVL_AN00391SB0115 [0,0,0,1,0,1|2,0,0]=4 1088 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@@H](C2)O WXVL_AN00391SB0115 [0,0,0,1,0,1|2,0,0]=4 1089 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)F WXVL_AN00035SB0115 [0,0,0,1,0,1|2,0,0]=4 1090 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)F WXVL_AN00035SB0115 [0,0,0,1,0,1|2,0,0]=4 1091 B17R2.3231 O=C(/C=C/c1ccccc1)N2CC[C@H](C2)O WXVL_AN00543SB0115 [0,0,0,1,0,1|2,0,0]=4 1092 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK0309SB0115 [0,0,0,1,0,1|1,0,0]=3 1093 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK0309SB0115 [0,0,0,1,0,1|1,0,0]=3 1094 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK0309SA0193 [0,0,0,1,0,1|2,0,0]=4 1095 B17R2.5233 CC1CC(C1)NC(=O)/C=C/c2cccnc2 WXVL_AK0309SA0193 [0,0,0,1,0,1|2,0,0]=4 1096 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK1377SB0115 [0,0,0,1,0,1|2,0,0]=4 1097 B17R2.5233 CN1CC(C1)NC(=O)/C=C/c2ccccc2 WXVL_AK1377SB0115 [0,0,0,1,0,1|2,0,0]=4 1098 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)F WXVL_AK0307SB0115 [0,0,0,1,0,1|2,0,0]=4 1099 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)F WXVL_AK0307SB0115 [0,0,0,1,0,1|2,0,0]=4 1100 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)O WXVL_AK0306SB0115 [0,0,0,1,0,1|2,0,0]=4 1101 B17R2.5233 O=C(/C=C/c1ccccc1)NC2CC(C2)O WXVL_AK0306SB0115 [0,0,0,1,0,1|2,0,0]=4 1102 B17R2.5233 O=C(/C=C/c1ccccc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0115 [0,0,0,1,0,1|2,0,0]=4 1103 B17R2.5233 O=C(/C=C/c1ccccc1)N[C@H]2C[C@H](C2)O WXVL_AK1397SB0115 [0,0,0,1,0,1|2,0,0]=4 1104 B17R2.45566 O=C(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594SB0115 [0,0,0,1,0,1|1,0,0]=3 1105 B17R2.45566 O=C(/C=C/c1ccccc1)NCCC2CC2 WXVL_AK00594SB0115 [0,0,0,1,0,1|1,0,0]=3 1106 B17R2.45566 O=C(/C=C/c1cccnc1)NCCC2CC2 WXVL_AK00594SA0193 [0,0,0,1,0,1|2,0,0]=4 1107 B17R2.45566 O=C(/C=C/c1cccnc1)NCCC2CC2 WXVL_AK00594SA0193 [0,0,0,1,0,1|2,0,0]=4 1108 B17R2.877 CC(C)CNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00544SE0048 [0,0,0,1,0,1|2,0,0]=4 1109 B17R2.877 CC(C)CNC(=O)c1c[nH]c2c1cccn2 WXVL_AK00544SE0048 [0,0,0,1,0,1|2,0,0]=4 1110 B17R2.877 CC(C)CNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00544SE0638 [0,0,0,1,0,1|2,0,0]=4 1111 B17R2.877 CC(C)CNC(=O)c1c[nH]c2c1ccnc2 WXVL_AK00544SE0638 [0,0,0,1,0,1|2,0,0]=4 1112 B17R2.877 CC(C)CNC(=O)c1cnc2n1cccc2 WXVL_AK00544SE0102 [0,0,0,1,0,1|2,0,0]=4 1113 B17R2.877 CC(C)CNC(=O)c1cnc2n1cccc2 WXVL_AK00544SE0102 [0,0,0,1,0,1|2,0,0]=4 1114 B17R2.877 CC(C)CNC(=O)c1cnn2c1cccc2 WXVL_AK00544SE0033 [0,0,0,1,0,1|2,0,0]=4 1115 B17R2.877 CC(C)CNC(=O)c1cnn2c1cccc2 WXVL_AK00544SE0033 [0,0,0,1,0,1|2,0,0]=4 1116 B17R2.877 CC(C)CNC(=O)c1coc2c1cccc2 WXVL_AK00544SE0302 [0,0,0,1,0,1|1,0,0]=3 1117 B17R2.877 CC(C)CNC(=O)c1coc2c1cccc2 WXVL_AK00544SE0302 [0,0,0,1,0,1|1,0,0]=3 1118 B17R2.877 CC(C)CNC(=O)c1csc2c1cccc2 WXVL_AK00544SE0108 [0,0,0,1,0,1|1,0,0]=3 1119 B17R2.877 CC(C)CNC(=O)c1csc2c1cccc2 WXVL_AK00544SE0108 [0,0,0,1,0,1|1,0,0]=3 1120 B17R2.877 CC(C)CNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00544SE0379 [0,0,0,1,0,1|2,0,0]=4 1121 B17R2.877 CC(C)CNC(=O)c1n[nH]c2c1cccc2 WXVL_AK00544SE0379 [0,0,0,1,0,1|2,0,0]=4 1122 B17R2.877 CC(C)CNC(=O)c1onc2c1cccc2 WXVL_AK00544SE0896 [0,0,0,1,0,1|2,0,0]=4 1123 B17R2.877 CC(C)CNC(=O)c1onc2c1cccc2 WXVL_AK00544SE0896 [0,0,0,1,0,1|2,0,0]=4 1124 B17R2.877 CC(O)CNC(=O)c1coc2c1cccc2 WXVL_AK0052SE0302 [0,0,0,1,0,1|2,0,0]=4 1125 B17R2.877 CC(O)CNC(=O)c1coc2c1cccc2 WXVL_AK0052SE0302 [0,0,0,1,0,1|2,0,0]=4 1126 B17R2.877 CC(O)CNC(=O)c1csc2c1cccc2 WXVL_AK0052SE0108 [0,0,0,1,0,1|2,0,0]=4 1127 B17R2.877 CC(O)CNC(=O)c1csc2c1cccc2 WXVL_AK0052SE0108 [0,0,0,1,0,1|2,0,0]=4 1128 B17R2.877 C[C@H](O)CNC(=O)c1coc2c1cccc2 WXVL_AK0113SE0302 [0,0,0,1,0,1|2,0,0]=4 1129 B17R2.877 C[C@H](O)CNC(=O)c1coc2c1cccc2 WXVL_AK0113SE0302 [0,0,0,1,0,1|2,0,0]=4 1130 B17R2.877 C[C@H](O)CNC(=O)c1csc2c1cccc2 WXVL_AK0113SE0108 [0,0,0,1,0,1|2,0,0]=4 1131 B17R2.877 C[C@H](O)CNC(=O)c1csc2c1cccc2 WXVL_AK0113SE0108 [0,0,0,1,0,1|2,0,0]=4 1132 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00544SE0001 [0,1,0,1,0,0|1,0,0]=3 1133 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK00544SE0001 [0,1,0,1,0,0|1,0,0]=3 1134 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2o1 WXVL_AK00544SE0105 [0,1,0,1,0,0|1,0,0]=3 1135 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2o1 WXVL_AK00544SE0105 [0,1,0,1,0,0|1,0,0]=3 1136 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2s1 WXVL_AK00544SE0107 [0,1,0,1,0,0|1,0,0]=3 1137 B17R2.10110 CC(C)CNC(=O)c1cc2ccccc2s1 WXVL_AK00544SE0107 [0,1,0,1,0,0|1,0,0]=3 1138 B17R2.10110 CC(C)CNC(=O)c1cc2ccccn2n1 WXVL_AK00544SE0030 [0,1,0,1,0,0|2,0,0]=4 1139 B17R2.10110 CC(C)CNC(=O)c1cc2ccccn2n1 WXVL_AK00544SE0030 [0,1,0,1,0,0|2,0,0]=4 1140 B17R2.10110 CC(C)CNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00544SE0450 [0,1,0,1,0,0|2,0,0]=4 1141 B17R2.10110 CC(C)CNC(=O)c1cc2cccnc2[nH]1 WXVL_AK00544SE0450 [0,1,0,1,0,0|2,0,0]=4 1142 B17R2.10110 CC(C)CNC(=O)c1cc2cccnc2s1 WXVL_AK00544SE0061 [0,1,0,1,0,0|2,0,0]=4 1143 B17R2.10110 CC(C)CNC(=O)c1cc2cccnc2s1 WXVL_AK00544SE0061 [0,1,0,1,0,0|2,0,0]=4 1144 B17R2.10110 CC(C)CNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00544SE0511 [0,1,0,1,0,0|2,0,0]=4 1145 B17R2.10110 CC(C)CNC(=O)c1cc2cnccc2[nH]1 WXVL_AK00544SE0511 [0,1,0,1,0,0|2,0,0]=4 1146 B17R2.10110 CC(C)CNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00544SE0680 [0,1,0,1,0,0|2,0,0]=4 1147 B17R2.10110 CC(C)CNC(=O)c1cc2ncccc2[nH]1 WXVL_AK00544SE0680 [0,1,0,1,0,0|2,0,0]=4 1148 B17R2.10110 CC(C)CNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00544SE0026 [0,1,0,1,0,0|2,0,0]=4 1149 B17R2.10110 CC(C)CNC(=O)c1nc2ccccc2[nH]1 WXVL_AK00544SE0026 [0,1,0,1,0,0|2,0,0]=4 1150 B17R2.10110 CC(C)CNC(=O)c1nc2ccccc2o1 WXVL_AK00544SE0704 [0,1,0,1,0,0|2,0,0]=4 1151 B17R2.10110 CC(C)CNC(=O)c1nc2ccccc2o1 WXVL_AK00544SE0704 [0,1,0,1,0,0|2,0,0]=4 1152 B17R2.10110 CC(O)CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0052SE0001 [0,1,0,1,0,0|2,0,0]=4 1153 B17R2.10110 CC(O)CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0052SE0001 [0,1,0,1,0,0|2,0,0]=4 1154 B17R2.10110 CC(O)CNC(=O)c1cc2ccccc2o1 WXVL_AK0052SE0105 [0,1,0,1,0,0|2,0,0]=4 1155 B17R2.10110 CC(O)CNC(=O)c1cc2ccccc2o1 WXVL_AK0052SE0105 [0,1,0,1,0,0|2,0,0]=4 1156 B17R2.10110 CC(O)CNC(=O)c1cc2ccccc2s1 WXVL_AK0052SE0107 [0,1,0,1,0,0|2,0,0]=4 1157 B17R2.10110 CC(O)CNC(=O)c1cc2ccccc2s1 WXVL_AK0052SE0107 [0,1,0,1,0,0|2,0,0]=4 1158 B17R2.10110 C[C@H](O)CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0113SE0001 [0,1,0,1,0,0|2,0,0]=4 1159 B17R2.10110 C[C@H](O)CNC(=O)c1cc2ccccc2[nH]1 WXVL_AK0113SE0001 [0,1,0,1,0,0|2,0,0]=4 1160 B17R2.10110 C[C@H](O)CNC(=O)c1cc2ccccc2o1 WXVL_AK0113SE0105 [0,1,0,1,0,0|2,0,0]=4 1161 B17R2.10110 C[C@H](O)CNC(=O)c1cc2ccccc2o1 WXVL_AK0113SE0105 [0,1,0,1,0,0|2,0,0]=4 1162 B17R2.10110 C[C@H](O)CNC(=O)c1cc2ccccc2s1 WXVL_AK0113SE0107 [0,1,0,1,0,0|2,0,0]=4 1163 B17R2.10110 C[C@H](O)CNC(=O)c1cc2ccccc2s1 WXVL_AK0113SE0107 [0,1,0,1,0,0|2,0,0]=4 1164 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN0291SB3065 [0,1,0,1,0,0|1,0,0]=3 1165 B17R2.20595 CC1CN(C1)C(=O)C=Cc2ccccc2Br WXVL_AN0291SB3065 [0,1,0,1,0,0|1,0,0]=3 1166 B17R2.20595 O=C(C=Cc1ccccc1Br)N2CC(C2)O WXVL_AN0284SB3065 [0,1,0,1,0,0|2,0,0]=4 1167 B17R2.20595 O=C(C=Cc1ccccc1Br)N2CC(C2)O WXVL_AN0284SB3065 [0,1,0,1,0,0|2,0,0]=4 1168 B17R2.417 CC1CN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN0291SB0418 [0,1,0,1,0,0|1,0,0]=3 1169 B17R2.417 CC1CN(C1)C(=O)/C=C/c2ccc(cc2)O WXVL_AN0291SB0418 [0,1,0,1,0,0|1,0,0]=3 1170 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN0291SB1122 [0,1,0,1,0,0|1,0,0]=3 1171 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Br WXVL_AN0291SB1122 [0,1,0,1,0,0|1,0,0]=3 1172 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN0291SB0119 [0,1,0,1,0,0|1,0,0]=3 1173 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)Cl WXVL_AN0291SB0119 [0,1,0,1,0,0|1,0,0]=3 1174 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN0291SB1186 [0,1,0,1,0,0|1,0,0]=3 1175 B17R2.417 CC1CN(C1)C(=O)C=Cc2ccc(cc2)F WXVL_AN0291SB1186 [0,1,0,1,0,0|1,0,0]=3 1176 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)C WXVL_AN0291SB0060 [0,1,0,1,0,0|1,0,0]=3 1177 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)C WXVL_AN0291SB0060 [0,1,0,1,0,0|1,0,0]=3 1178 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)O WXVL_AN0284SB0060 [0,1,0,1,0,0|2,0,0]=4 1179 B17R2.417 Cc1ccc(cc1)C=CC(=O)N2CC(C2)O WXVL_AN0284SB0060 [0,1,0,1,0,0|2,0,0]=4 1180 B17R2.417 O=C(/C=C/c1ccc(cc1)O)N2CC(C2)O WXVL_AN0284SB0418 [0,1,0,1,0,0|2,0,0]=4 1181 B17R2.417 O=C(/C=C/c1ccc(cc1)O)N2CC(C2)O WXVL_AN0284SB0418 [0,1,0,1,0,0|2,0,0]=4 1182 B17R2.417 O=C(C=Cc1ccc(cc1)Br)N2CC(C2)O WXVL_AN0284SB1122 [0,1,0,1,0,0|2,0,0]=4 1183 B17R2.417 O=C(C=Cc1ccc(cc1)Br)N2CC(C2)O WXVL_AN0284SB1122 [0,1,0,1,0,0|2,0,0]=4 1184 B17R2.417 O=C(C=Cc1ccc(cc1)Cl)N2CC(C2)O WXVL_AN0284SB0119 [0,1,0,1,0,0|2,0,0]=4 1185 B17R2.417 O=C(C=Cc1ccc(cc1)Cl)N2CC(C2)O WXVL_AN0284SB0119 [0,1,0,1,0,0|2,0,0]=4 1186 B17R2.417 O=C(C=Cc1ccc(cc1)F)N2CC(C2)O WXVL_AN0284SB1186 [0,1,0,1,0,0|2,0,0]=4 1187 B17R2.417 O=C(C=Cc1ccc(cc1)F)N2CC(C2)O WXVL_AN0284SB1186 [0,1,0,1,0,0|2,0,0]=4 1188 B17R2.4007 C/C(=C\c1cccnc1)/C(=O)N2CC(C2)C WXVL_AN0291SA1933 [0,1,0,1,0,0|2,0,0]=4 1189 B17R2.4007 C/C(=C\c1cccnc1)/C(=O)N2CC(C2)C WXVL_AN0291SA1933 [0,1,0,1,0,0|2,0,0]=4 1190 B17R2.4007 C=C(Cc1ccccc1)C(=O)N2CC(C2)C WXVL_AN0291SB0413 [0,1,0,1,0,0|1,0,1]=4 1191 B17R2.4007 C=C(Cc1ccccc1)C(=O)N2CC(C2)C WXVL_AN0291SB0413 [0,1,0,1,0,0|1,0,1]=4 1192 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCC2 WXVL_AK00492SB0115 [0,1,0,1,0,0|1,0,0]=3 1193 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCC2 WXVL_AK00492SB0115 [0,1,0,1,0,0|1,0,0]=3 1194 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCO2 WXVL_AK1433SB0115 [0,1,0,1,0,0|1,0,0]=3 1195 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2CCO2 WXVL_AK1433SB0115 [0,1,0,1,0,0|1,0,0]=3 1196 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2COC2 WXVL_AK0186SB0115 [0,1,0,1,0,0|1,0,0]=3 1197 B17R2.76752 O=C(/C=C/c1ccccc1)NCC2COC2 WXVL_AK0186SB0115 [0,1,0,1,0,0|1,0,0]=3 1198 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCC2 WXVL_AK00492SA0193 [0,1,0,1,0,0|2,0,0]=4 1199 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCC2 WXVL_AK00492SA0193 [0,1,0,1,0,0|2,0,0]=4 1200 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCO2 WXVL_AK1433SA0193 [0,1,0,1,0,0|2,0,0]=4 1201 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2CCO2 WXVL_AK1433SA0193 [0,1,0,1,0,0|2,0,0]=4 1202 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2COC2 WXVL_AK0186SA0193 [0,1,0,1,0,0|2,0,0]=4 1203 B17R2.76752 O=C(/C=C/c1cccnc1)NCC2COC2 WXVL_AK0186SA0193 [0,1,0,1,0,0|2,0,0]=4 1204 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2ccccc2 WXVL_AK00811SB0115 [0,1,0,1,0,0|1,0,0]=3 1205 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2ccccc2 WXVL_AK00811SB0115 [0,1,0,1,0,0|1,0,0]=3 1206 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2cccnc2 WXVL_AK00811SA0193 [0,1,0,1,0,0|2,0,0]=4 1207 B17R2.76770 CC1(CC1)CNC(=O)/C=C/c2cccnc2 WXVL_AK00811SA0193 [0,1,0,1,0,0|2,0,0]=4 1208 B17R2.76770 O=C(/C=C/c1ccccc1)NCC2(CC2)O WXVL_AK0301SB0115 [0,1,0,1,0,0|1,0,0]=3 1209 B17R2.76770 O=C(/C=C/c1ccccc1)NCC2(CC2)O WXVL_AK0301SB0115 [0,1,0,1,0,0|1,0,0]=3 1210 B17R2.76770 O=C(/C=C/c1cccnc1)NCC2(CC2)O WXVL_AK0301SA0193 [0,1,0,1,0,0|2,0,0]=4 1211 B17R2.76770 O=C(/C=C/c1cccnc1)NCC2(CC2)O WXVL_AK0301SA0193 [0,1,0,1,0,0|2,0,0]=4 1212 B17R2.41426 CC1CN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN0291HU0026 [0,1,0,1,0,0|2,0,0]=4 1213 B17R2.41426 CC1CN(C1)S(=O)(=O)/C=C/c2ccccc2 WXVL_AN0291HU0026 [0,1,0,1,0,0|2,0,0]=4 1214 B17R2.76771 CC(NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK00200SB0115 [0,1,0,1,0,0|1,0,0]=3 1215 B17R2.76771 CC(NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK00200SB0115 [0,1,0,1,0,0|1,0,0]=3 1216 B17R2.76771 CC(NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK00200SA0193 [0,1,0,1,0,0|2,0,0]=4 1217 B17R2.76771 CC(NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK00200SA0193 [0,1,0,1,0,0|2,0,0]=4 1218 B17R2.76771 C[C@H](NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK0484SB0115 [0,1,0,1,0,0|1,0,0]=3 1219 B17R2.76771 C[C@H](NC(=O)/C=C/c1ccccc1)C2CC2 WXVL_AK0484SB0115 [0,1,0,1,0,0|1,0,0]=3 1220 B17R2.76771 C[C@H](NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK0484SA0193 [0,1,0,1,0,0|2,0,0]=4 1221 B17R2.76771 C[C@H](NC(=O)/C=C/c1cccnc1)C2CC2 WXVL_AK0484SA0193 [0,1,0,1,0,0|2,0,0]=4 1222 B17R2.76751 CC1(CN(C1)C(=O)/C=C/c2ccccc2)O WXVL_AN0497SB0115 [0,1,0,1,0,0|1,0,0]=3 1223 B17R2.76751 CC1(CN(C1)C(=O)/C=C/c2ccccc2)O WXVL_AN0497SB0115 [0,1,0,1,0,0|1,0,0]=3 1224 B17R2.76751 CC1(CN(C1)C(=O)/C=C/c2cccnc2)O WXVL_AN0497SA0193 [0,1,0,1,0,0|2,0,0]=4 1225 B17R2.76751 CC1(CN(C1)C(=O)/C=C/c2cccnc2)O WXVL_AN0497SA0193 [0,1,0,1,0,0|2,0,0]=4 1226 B17R2.76751 O=C(/C=C/c1ccccc1)N2CC(C2)(F)F WXVL_AN0288SB0115 [0,1,0,1,0,0|2,0,0]=4 1227 B17R2.76751 O=C(/C=C/c1ccccc1)N2CC(C2)(F)F WXVL_AN0288SB0115 [0,1,0,1,0,0|2,0,0]=4 1228 B17R2.5218 CC1CN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN0291YV0027 [0,1,0,1,0,0|2,0,0]=4 1229 B17R2.5218 CC1CN(C1)C(=O)NC(=O)c2ccccc2 WXVL_AN0291YV0027 [0,1,0,1,0,0|2,0,0]=4 1230 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN0291SB1601 [0,1,0,1,0,0|1,0,0]=3 1231 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)Cl WXVL_AN0291SB1601 [0,1,0,1,0,0|1,0,0]=3 1232 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN0291SB0417 [0,1,0,1,0,0|1,0,0]=3 1233 B17R2.41777 CC1CN(C1)C(=O)C=Cc2cccc(c2)O WXVL_AN0291SB0417 [0,1,0,1,0,0|1,0,0]=3 1234 B17R2.41777 O=C(C=Cc1cccc(c1)Cl)N2CC(C2)O WXVL_AN0284SB1601 [0,1,0,1,0,0|2,0,0]=4 1235 B17R2.41777 O=C(C=Cc1cccc(c1)Cl)N2CC(C2)O WXVL_AN0284SB1601 [0,1,0,1,0,0|2,0,0]=4 1236 B17R2.41777 O=C(C=Cc1cccc(c1)O)N2CC(C2)O WXVL_AN0284SB0417 [0,1,0,1,0,0|2,0,0]=4 1237 B17R2.41777 O=C(C=Cc1cccc(c1)O)N2CC(C2)O WXVL_AN0284SB0417 [0,1,0,1,0,0|2,0,0]=4 1238 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [1,0,0,0,1,0|1,0,1]=4 1239 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [1,0,0,0,1,0|1,0,1]=4 1240 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [1,0,0,0,1,0|2,0,0]=4 1241 B13R1.153 CCCNC(=O)/C=C/c1ccco1 WXVL_AK00504SA0180 [1,0,0,0,1,0|2,0,0]=4 1242 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [1,0,0,0,1,0|2,0,0]=4 1243 B13R1.153 CCCNC(=O)/C=C/c1cccs1 WXVL_AK00504SA0001 [1,0,0,0,1,0|2,0,0]=4 1244 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [1,0,0,0,1,0|2,0,0]=4 1245 B13R1.153 CCCNC(=O)/C=C/c1ccoc1 WXVL_AK00504SA0047 [1,0,0,0,1,0|2,0,0]=4 1246 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [1,0,0,0,1,0|2,0,0]=4 1247 B13R1.153 CCCNC(=O)/C=C/c1ccsc1 WXVL_AK00504SA0251 [1,0,0,0,1,0|2,0,0]=4 1248 B13R1.45 CC(C)CNC(=O)c1ccccc1 WXVL_AK00544SD0001 [0,0,0,0,2,0|1,0,0]=3 1249 B13R1.45 CC(C)CNC(=O)c1ccccc1 WXVL_AK00544SD0001 [0,0,0,0,2,0|1,0,0]=3 1250 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,0,0,0,2,0|2,0,0]=4 1251 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,0,0,0,2,0|2,0,0]=4 1252 B13R1.45 CC(C)CNC(=O)c1cccnc1 WXVL_AK00544SC0061 [0,0,0,0,2,0|2,0,0]=4 1253 B13R1.45 CC(C)CNC(=O)c1cccnc1 WXVL_AK00544SC0061 [0,0,0,0,2,0|2,0,0]=4 1254 B13R1.45 CC(C)CNC(=O)c1ccncc1 WXVL_AK00544SC0062 [0,0,0,0,2,0|2,0,0]=4 1255 B13R1.45 CC(C)CNC(=O)c1ccncc1 WXVL_AK00544SC0062 [0,0,0,0,2,0|2,0,0]=4 1256 B13R1.45 CC(O)CNC(=O)c1ccccc1 WXVL_AK0052SD0001 [0,0,0,0,2,0|2,0,0]=4 1257 B13R1.45 CC(O)CNC(=O)c1ccccc1 WXVL_AK0052SD0001 [0,0,0,0,2,0|2,0,0]=4 1258 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 WXVL_AK0113SD0001 [0,0,0,0,2,0|2,0,0]=4 1259 B13R1.45 C[C@H](O)CNC(=O)c1ccccc1 WXVL_AK0113SD0001 [0,0,0,0,2,0|2,0,0]=4 1260 B13R1.348 CC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0063 [0,0,0,0,2,0|1,0,0]=3 1261 B13R1.348 CC(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0063 [0,0,0,0,2,0|1,0,0]=3 1262 B13R1.348 CC(C)CC(=O)Nc1ccccn1 WXVL_AF00298SB0063 [0,0,0,0,2,0|2,0,0]=4 1263 B13R1.348 CC(C)CC(=O)Nc1ccccn1 WXVL_AF00298SB0063 [0,0,0,0,2,0|2,0,0]=4 1264 B13R1.348 CC(C)NC(=O)Cc1ccccc1 WXVL_AK0030SB0092 [0,0,0,0,2,0|1,0,1]=4 1265 B13R1.348 CC(C)NC(=O)Cc1ccccc1 WXVL_AK0030SB0092 [0,0,0,0,2,0|1,0,1]=4 1266 B13R1.348 CC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3643 [0,0,0,0,2,0|2,0,0]=4 1267 B13R1.348 CC(O)CC(=O)Nc1ccccc1 WXVL_AG00183SB3643 [0,0,0,0,2,0|2,0,0]=4 1268 B13R1.348 CN(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0085 [0,0,0,0,2,0|2,0,0]=4 1269 B13R1.348 CN(C)CC(=O)Nc1ccccc1 WXVL_AG00183SB0085 [0,0,0,0,2,0|2,0,0]=4 1270 B13R1.351 CC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0052 [0,0,0,0,2,0|1,0,1]=4 1271 B13R1.351 CC(C)C(=O)NCc1ccccc1 WXVL_AK00502SB0052 [0,0,0,0,2,0|1,0,1]=4 1272 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [0,0,0,0,2,0|1,0,0]=3 1273 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [0,0,0,0,2,0|1,0,0]=3 1274 B13R1.351 CN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0032SA0193 [0,0,0,0,2,0|2,0,0]=4 1275 B13R1.351 CN(C)C(=O)/C=C/c1cccnc1 WXVL_AN0032SA0193 [0,0,0,0,2,0|2,0,0]=4 1276 B13R1.593 CC(C)NC(=O)/C=C/c1ccco1 WXVL_AK0030SA0180 [0,0,0,0,2,0|2,0,0]=4 1277 B13R1.593 CC(C)NC(=O)/C=C/c1ccco1 WXVL_AK0030SA0180 [0,0,0,0,2,0|2,0,0]=4 1278 B13R1.593 CC(C)NC(=O)/C=C/c1cccs1 WXVL_AK0030SA0001 [0,0,0,0,2,0|2,0,0]=4 1279 B13R1.593 CC(C)NC(=O)/C=C/c1cccs1 WXVL_AK0030SA0001 [0,0,0,0,2,0|2,0,0]=4 1280 B13R1.593 CC(C)NC(=O)/C=C/c1ccoc1 WXVL_AK0030SA0047 [0,0,0,0,2,0|2,0,0]=4 1281 B13R1.593 CC(C)NC(=O)/C=C/c1ccoc1 WXVL_AK0030SA0047 [0,0,0,0,2,0|2,0,0]=4 1282 B13R1.593 CC(C)NC(=O)/C=C/c1ccsc1 WXVL_AK0030SA0251 [0,0,0,0,2,0|2,0,0]=4 1283 B13R1.593 CC(C)NC(=O)/C=C/c1ccsc1 WXVL_AK0030SA0251 [0,0,0,0,2,0|2,0,0]=4 1284 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0068SA0180 [0,0,0,0,1,1|2,0,0]=4 1285 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccco1 WXVL_AK0068SA0180 [0,0,0,0,1,1|2,0,0]=4 1286 B15R1.503 CC(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0068SA0001 [0,0,0,0,1,1|2,0,0]=4 1287 B15R1.503 CC(C)CCNC(=O)/C=C/c1cccs1 WXVL_AK0068SA0001 [0,0,0,0,1,1|2,0,0]=4 1288 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0068SA0047 [0,0,0,0,1,1|2,0,0]=4 1289 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccoc1 WXVL_AK0068SA0047 [0,0,0,0,1,1|2,0,0]=4 1290 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0068SA0251 [0,0,0,0,1,1|2,0,0]=4 1291 B15R1.503 CC(C)CCNC(=O)/C=C/c1ccsc1 WXVL_AK0068SA0251 [0,0,0,0,1,1|2,0,0]=4 1292 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1ccccc1 WXVL_AK0128SB0115 [0,0,0,0,0,2|1,0,0]=3 1293 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1ccccc1 WXVL_AK0128SB0115 [0,0,0,0,0,2|1,0,0]=3 1294 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cccnc1 WXVL_AK0128SA0193 [0,0,0,0,0,2|2,0,0]=4 1295 B17R1.1324 CC(C)OCCNC(=O)/C=C/c1cccnc1 WXVL_AK0128SA0193 [0,0,0,0,0,2|2,0,0]=4 1296 B17R1.4992 CC(C)/C=C/C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0036 [0,0,0,0,0,2|1,0,1]=4 1297 B17R1.4992 CC(C)/C=C/C(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0036 [0,0,0,0,0,2|1,0,1]=4 1298 B17R1.4992 CC(C)CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0354 [0,0,0,0,0,2|1,0,0]=3 1299 B17R1.4992 CC(C)CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0354 [0,0,0,0,0,2|1,0,0]=3 1300 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0213 [0,0,0,0,0,2|2,0,0]=4 1301 B17R1.4992 CC(C)OCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB0213 [0,0,0,0,0,2|2,0,0]=4 1302 B17R1.4992 CN(C)CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB00052 [0,0,0,0,0,2|2,0,0]=4 1303 B17R1.4992 CN(C)CCC(=O)NC/C=C/c1ccccc1 WXVL_AK00073SB00052 [0,0,0,0,0,2|2,0,0]=4