0 B15R1.794 CCOC(=O)CCNC(=O)c1ccco1 WXVL_AK0465SC0049 [0,1,0,0,0,0|1,0,1]=3 1 B15R1.794 CCOC(=O)CCNC(=O)c1ccco1 WXVL_AK0465SC0049 [0,1,0,0,0,0|1,0,1]=3 2 B15R1.794 CCOC(=O)CCNC(=O)c1cccs1 WXVL_AK0465SC0051 [0,1,0,0,0,0|1,1,1]=4 3 B15R1.794 CCOC(=O)CCNC(=O)c1cccs1 WXVL_AK0465SC0051 [0,1,0,0,0,0|1,1,1]=4 4 B15R1.794 CCOC(=O)CCNC(=O)c1ccno1 WXVL_AK0465SC0080 [0,1,0,0,0,0|2,0,1]=4 5 B15R1.794 CCOC(=O)CCNC(=O)c1ccno1 WXVL_AK0465SC0080 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.794 CCOC(=O)CCNC(=O)c1cnco1 WXVL_AK0465SC0018 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.794 CCOC(=O)CCNC(=O)c1cnco1 WXVL_AK0465SC0018 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.1284 CCOC(=O)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB3094 [0,1,0,0,0,0|2,0,1]=4 9 B15R1.1284 CCOC(=O)CC(=O)NCc1ccc[nH]1 WXVL_AK00759SB3094 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.1284 CCOC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB3094 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.1284 CCOC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB3094 [0,1,0,0,0,0|1,0,1]=3 12 B15R1.1284 CCOC(=O)CC(=O)NCc1cccs1 WXVL_AK0014SB3094 [0,1,0,0,0,0|1,1,1]=4 13 B15R1.1284 CCOC(=O)CC(=O)NCc1cccs1 WXVL_AK0014SB3094 [0,1,0,0,0,0|1,1,1]=4 14 B15R1.1284 CCOC(=O)CC(=O)NCc1cnco1 WXVL_AK1437SB3094 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.1284 CCOC(=O)CC(=O)NCc1cnco1 WXVL_AK1437SB3094 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.9921 CCOC(=O)C(=O)NCCc1ccco1 WXVL_AK0989SB4144 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.9921 CCOC(=O)C(=O)NCCc1ccco1 WXVL_AK0989SB4144 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.404 C/C=C/C(=O)NCCc1ccco1 WXVL_AK0989SB0340 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.404 C/C=C/C(=O)NCCc1ccco1 WXVL_AK0989SB0340 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.404 CC#CC(=O)NCCc1ccco1 WXVL_AK0989SB1240 [0,0,0,0,1,0|2,0,1]=4 21 B13R1.404 CC#CC(=O)NCCc1ccco1 WXVL_AK0989SB1240 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.404 CCCC(=O)NCCc1ccco1 WXVL_AK0989SB0073 [0,0,0,0,1,0|2,0,0]=3 23 B13R1.404 CCCC(=O)NCCc1ccco1 WXVL_AK0989SB0073 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.404 CCCC(=O)NCCc1cccs1 WXVL_AK0098SB0073 [0,0,0,0,1,0|2,1,0]=4 25 B13R1.404 CCCC(=O)NCCc1cccs1 WXVL_AK0098SB0073 [0,0,0,0,1,0|2,1,0]=4 26 B13R1.404 CCNC(=O)CCCn1cccc1 WXVL_AK00476SA2501 [0,0,0,0,1,0|3,0,0]=4 27 B13R1.404 CCNC(=O)CCCn1cccc1 WXVL_AK00476SA2501 [0,0,0,0,1,0|3,0,0]=4 28 B13R1.404 COCC(=O)NCCc1ccco1 WXVL_AK0989SB0090 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.404 COCC(=O)NCCc1ccco1 WXVL_AK0989SB0090 [0,0,0,0,1,0|3,0,0]=4 30 B13R1.404 CSCC(=O)NCCc1ccco1 WXVL_AK0989SB1267 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.404 CSCC(=O)NCCc1ccco1 WXVL_AK0989SB1267 [0,0,0,0,1,0|3,0,0]=4 32 B15R1.778 CCNC(=O)CCCCc1ccccc1 WXVL_AK00476SB0460 [0,0,0,0,0,1|3,0,0]=4 33 B15R1.778 CCNC(=O)CCCCc1ccccc1 WXVL_AK00476SB0460 [0,0,0,0,0,1|3,0,0]=4 34 B15R1.795 C#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB3070 [0,0,0,0,0,1|1,0,2]=4 35 B15R1.795 C#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB3070 [0,0,0,0,0,1|1,0,2]=4 36 B15R1.795 C/C=C/C(=O)NCCSCc1ccco1 WXVL_AK1129SB0340 [0,0,0,0,0,1|1,0,1]=3 37 B15R1.795 C/C=C/C(=O)NCCSCc1ccco1 WXVL_AK1129SB0340 [0,0,0,0,0,1|1,0,1]=3 38 B15R1.795 C=CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB2732 [0,0,0,0,0,1|1,0,2]=4 39 B15R1.795 C=CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB2732 [0,0,0,0,0,1|1,0,2]=4 40 B15R1.795 CC#CC(=O)NCCSCc1ccco1 WXVL_AK1129SB1240 [0,0,0,0,0,1|1,0,1]=3 41 B15R1.795 CC#CC(=O)NCCSCc1ccco1 WXVL_AK1129SB1240 [0,0,0,0,0,1|1,0,1]=3 42 B15R1.795 CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0073 [0,0,0,0,0,1|1,0,0]=2 43 B15R1.795 CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0073 [0,0,0,0,0,1|1,0,0]=2 44 B15R1.795 COCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0090 [0,0,0,0,0,1|2,0,0]=3 45 B15R1.795 COCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0090 [0,0,0,0,0,1|2,0,0]=3 46 B15R1.795 CSCC(=O)NCCSCc1ccco1 WXVL_AK1129SB1267 [0,0,0,0,0,1|2,0,0]=3 47 B15R1.795 CSCC(=O)NCCSCc1ccco1 WXVL_AK1129SB1267 [0,0,0,0,0,1|2,0,0]=3 48 B15R1.795 N#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0057 [0,0,0,0,0,1|2,0,1]=4 49 B15R1.795 N#CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0057 [0,0,0,0,0,1|2,0,1]=4 50 B14R1.730 CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0064 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.730 CCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0064 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.588 COC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB2790 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.588 COC(=O)CC(=O)NCc1ccco1 WXVL_AK0010SB2790 [1,1,0,0,0,0|1,0,1]=4 54 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB4144 [0,1,0,0,1,0|1,0,1]=4 55 B14R1.633 CCOC(=O)C(=O)NCc1ccco1 WXVL_AK0010SB4144 [0,1,0,0,1,0|1,0,1]=4 56 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 WXVL_AK0989SB0063 [0,1,0,0,1,0|2,0,0]=4 57 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 WXVL_AK0989SB0063 [0,1,0,0,1,0|2,0,0]=4 58 B14R1.6454 CC(O)CC(=O)NCCc1ccco1 WXVL_AK0989SB3643 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.6454 CC(O)CC(=O)NCCc1ccco1 WXVL_AK0989SB3643 [0,1,0,0,1,0|2,0,0]=4 60 B16R1.9 CCNC(=O)CCSCc1ccc(cc1)C WXVL_AK00476SB7299 [0,1,0,0,0,1|2,0,0]=4 61 B16R1.9 CCNC(=O)CCSCc1ccc(cc1)C WXVL_AK00476SB7299 [0,1,0,0,0,1|2,0,0]=4 62 B16R1.1482 C#CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB2189 [0,1,0,0,0,1|1,0,1]=4 63 B16R1.1482 C#CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB2189 [0,1,0,0,0,1|1,0,1]=4 64 B16R1.1482 C=CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB1035 [0,1,0,0,0,1|1,0,1]=4 65 B16R1.1482 C=CCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB1035 [0,1,0,0,0,1|1,0,1]=4 66 B16R1.1482 CCOCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0091 [0,1,0,0,0,1|0,0,0]=2 67 B16R1.1482 CCOCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0091 [0,1,0,0,0,1|0,0,0]=2 68 B16R1.1482 CCSCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0002 [0,1,0,0,0,1|0,1,0]=3 69 B16R1.1482 CCSCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0002 [0,1,0,0,0,1|0,1,0]=3 70 B16R1.1482 COCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0156 [0,1,0,0,0,1|1,0,0]=3 71 B16R1.1482 COCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0156 [0,1,0,0,0,1|1,0,0]=3 72 B16R1.1482 CSCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0361 [0,1,0,0,0,1|1,0,0]=3 73 B16R1.1482 CSCCC(=O)NCCSCc1ccco1 WXVL_AK1129SB0361 [0,1,0,0,0,1|1,0,0]=3 74 B16R1.1482 O=C(/C=C/CBr)NCCSCc1ccco1 WXVL_AK1129SB0424 [0,1,0,0,0,1|1,0,1]=4 75 B16R1.1482 O=C(/C=C/CBr)NCCSCc1ccco1 WXVL_AK1129SB0424 [0,1,0,0,0,1|1,0,1]=4 76 B16R1.1482 O=C(NCCCl)NCCSCc1ccco1 WXVL_AK1129YV0092 [0,1,0,0,0,1|1,0,0]=3 77 B16R1.1482 O=C(NCCCl)NCCSCc1ccco1 WXVL_AK1129YV0092 [0,1,0,0,0,1|1,0,0]=3 78 B16R1.1544 CCOC(=O)CCNC(=O)Cc1cccs1 WXVL_AK0465SA0018 [0,1,0,0,0,1|1,1,0]=4 79 B16R1.1544 CCOC(=O)CCNC(=O)Cc1cccs1 WXVL_AK0465SA0018 [0,1,0,0,0,1|1,1,0]=4 80 B16R1.1648 C/C=C(\C)/C(=O)NCCSCc1ccco1 WXVL_AK1129SB0343 [0,1,0,0,0,1|1,0,1]=4 81 B16R1.1648 C/C=C(\C)/C(=O)NCCSCc1ccco1 WXVL_AK1129SB0343 [0,1,0,0,0,1|1,0,1]=4 82 B16R1.1648 CCC(=O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0344 [0,1,0,0,0,1|1,0,0]=3 83 B16R1.1648 CCC(=O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0344 [0,1,0,0,0,1|1,0,0]=3 84 B16R1.1648 CCC(C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0054 [0,1,0,0,0,1|1,0,0]=3 85 B16R1.1648 CCC(C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB0054 [0,1,0,0,0,1|1,0,0]=3 86 B16R1.1648 CC[C@@H](C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB00054 [0,1,0,0,0,1|1,0,0]=3 87 B16R1.1648 CC[C@@H](C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB00054 [0,1,0,0,0,1|1,0,0]=3 88 B16R1.1648 CC[C@H](O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB3573 [0,1,0,0,0,1|1,0,0]=3 89 B16R1.1648 CC[C@H](O)C(=O)NCCSCc1ccco1 WXVL_AK1129SB3573 [0,1,0,0,0,1|1,0,0]=3 90 B16R1.1648 CO[C@H](C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB2926 [0,1,0,0,0,1|2,0,0]=4 91 B16R1.1648 CO[C@H](C)C(=O)NCCSCc1ccco1 WXVL_AK1129SB2926 [0,1,0,0,0,1|2,0,0]=4 92 B16R1.3977 CCCS(=O)(=O)NCCSCc1ccco1 WXVL_AK1129HU0030 [0,1,0,0,0,1|2,0,0]=4 93 B16R1.3977 CCCS(=O)(=O)NCCSCc1ccco1 WXVL_AK1129HU0030 [0,1,0,0,0,1|2,0,0]=4 94 B16R1.6935 CC(=CC(=O)NCCSCc1ccco1)C WXVL_AK1129SB0342 [0,1,0,0,0,1|1,0,1]=4 95 B16R1.6935 CC(=CC(=O)NCCSCc1ccco1)C WXVL_AK1129SB0342 [0,1,0,0,0,1|1,0,1]=4 96 B16R1.6935 CC(C)CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0063 [0,1,0,0,0,1|1,0,0]=3 97 B16R1.6935 CC(C)CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0063 [0,1,0,0,0,1|1,0,0]=3 98 B16R1.6935 CC(O)CC(=O)NCCSCc1ccco1 WXVL_AK1129SB3643 [0,1,0,0,0,1|1,0,0]=3 99 B16R1.6935 CC(O)CC(=O)NCCSCc1ccco1 WXVL_AK1129SB3643 [0,1,0,0,0,1|1,0,0]=3 100 B16R1.6935 CN(C)CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0085 [0,1,0,0,0,1|2,0,0]=4 101 B16R1.6935 CN(C)CC(=O)NCCSCc1ccco1 WXVL_AK1129SB0085 [0,1,0,0,0,1|2,0,0]=4 102 B16R1.13680 CCOC(=O)CNC(=O)NCc1ccco1 WXVL_AK0010YV0151 [0,1,0,0,0,1|1,0,1]=4 103 B16R1.13680 CCOC(=O)CNC(=O)NCc1ccco1 WXVL_AK0010YV0151 [0,1,0,0,0,1|1,0,1]=4 104 B16R1.15561 CCOC(=O)CC(=O)NCCc1ccco1 WXVL_AK0989SB3094 [0,1,0,0,0,1|1,0,1]=4 105 B16R1.15561 CCOC(=O)CC(=O)NCCc1ccco1 WXVL_AK0989SB3094 [0,1,0,0,0,1|1,0,1]=4 106 B16R1.928 CCOC(=O)CCNC(=O)c1ccc(o1)C WXVL_AK0465SC0005 [0,2,0,0,0,0|1,0,1]=4 107 B16R1.928 CCOC(=O)CCNC(=O)c1ccc(o1)C WXVL_AK0465SC0005 [0,2,0,0,0,0|1,0,1]=4 108 B16R1.928 CCOC(=O)CCNC(=O)c1ccc(o1)Cl WXVL_AK0465SC0926 [0,2,0,0,0,0|1,0,1]=4 109 B16R1.928 CCOC(=O)CCNC(=O)c1ccc(o1)Cl WXVL_AK0465SC0926 [0,2,0,0,0,0|1,0,1]=4 110 B16R1.15191 CCOC(=O)CCNC(=O)c1occc1Br WXVL_AK0465SC0241 [0,2,0,0,0,0|1,0,1]=4 111 B16R1.15191 CCOC(=O)CCNC(=O)c1occc1Br WXVL_AK0465SC0241 [0,2,0,0,0,0|1,0,1]=4 112 B16R1.15191 CCOC(=O)CCNC(=O)c1occc1C WXVL_AK0465SC0230 [0,2,0,0,0,0|1,0,1]=4 113 B16R1.15191 CCOC(=O)CCNC(=O)c1occc1C WXVL_AK0465SC0230 [0,2,0,0,0,0|1,0,1]=4 114 B16R1.2181 CCOC(=O)CS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0462 [0,2,0,0,0,0|2,0,0]=4 115 B16R1.2181 CCOC(=O)CS(=O)(=O)NCc1ccco1 WXVL_AK0010HU0462 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.31850 O=C(NCCc1ccco1)C2CC2 WXVL_AK0989SB0038 [0,0,0,1,1,0|2,0,0]=4 117 B14R2.31850 O=C(NCCc1ccco1)C2CC2 WXVL_AK0989SB0038 [0,0,0,1,1,0|2,0,0]=4 118 B16R2.147079 O=C(NCCSCc1ccco1)C2CC2 WXVL_AK1129SB0038 [0,0,0,1,0,1|1,0,0]=3 119 B16R2.147079 O=C(NCCSCc1ccco1)C2CC2 WXVL_AK1129SB0038 [0,0,0,1,0,1|1,0,0]=3 120 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [1,0,0,0,1,0|1,0,0]=3 121 B12R1.477 CCC(=O)NCCc1ccco1 WXVL_AK0989SB0064 [1,0,0,0,1,0|1,0,0]=3 122 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [1,0,0,0,1,0|1,1,0]=4 123 B12R1.477 CCC(=O)NCCc1cccs1 WXVL_AK0098SB0064 [1,0,0,0,1,0|1,1,0]=4 124 B12R1.477 O=C(CO)NCCc1ccco1 WXVL_AK0989SB2706 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.477 O=C(CO)NCCc1ccco1 WXVL_AK0989SB2706 [1,0,0,0,1,0|2,0,0]=4 126 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,0,0,0,2,0|2,0,0]=4 127 B12R1.51 CCCC(=O)NCc1ccco1 WXVL_AK0010SB0073 [0,0,0,0,2,0|2,0,0]=4 128 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,0,0,0,2,0|2,0,0]=4 129 B12R1.51 CCNC(=O)CCc1ccc[nH]1 WXVL_AK00476SA0009 [0,0,0,0,2,0|2,0,0]=4 130 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,0,0,0,2,0|1,0,0]=3 131 B12R1.51 CCNC(=O)CCc1ccco1 WXVL_AK00476SA0167 [0,0,0,0,2,0|1,0,0]=3 132 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,0,0,0,2,0|1,1,0]=4 133 B12R1.51 CCNC(=O)CCc1cccs1 WXVL_AK00476SA0303 [0,0,0,0,2,0|1,1,0]=4