0 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.8 OCCCCNc1ccncn1 WXVL_AK0075LP3358 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.8 OCCCCNc1ccncn1 WXVL_AK0075LP3358 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.8 OCCCCNc1ncccn1 WXVL_AK0075LP0002 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.8 OCCCCNc1ncccn1 WXVL_AK0075LP0002 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.6 Cc1cc(ncn1)NCCCCO WXVL_AK0075LP0109 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.6 Cc1cc(ncn1)NCCCCO WXVL_AK0075LP0109 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.6 Cc1ccnc(n1)NCCCCO WXVL_AK0075LP0007 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.6 Cc1ccnc(n1)NCCCCO WXVL_AK0075LP0007 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.6 Cc1nccc(n1)NCCCCO WXVL_AK0075LP0556 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.6 Cc1nccc(n1)NCCCCO WXVL_AK0075LP0556 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.6 OCCCCNc1ccnc(n1)Br WXVL_AK0075LQ4646 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.6 OCCCCNc1ccnc(n1)Br WXVL_AK0075LQ4646 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.6 OCCCCNc1nccc(n1)Br WXVL_AK0075LQ3192 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.6 OCCCCNc1nccc(n1)Br WXVL_AK0075LQ3192 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.9 Cc1cnc(nc1)NCCCCO WXVL_AK0075LP0025 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.9 Cc1cnc(nc1)NCCCCO WXVL_AK0075LP0025 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.9 OCCCCNc1ncc(cn1)Br WXVL_AK0075LQ1546 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.9 OCCCCNc1ncc(cn1)Br WXVL_AK0075LQ1546 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.9 OCCCCNc1ncc(cn1)F WXVL_AK0075LP0017 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.9 OCCCCNc1ncc(cn1)F WXVL_AK0075LP0017 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.9 OCCCCNc1ncc(cn1)I WXVL_AK0075LP3340 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.9 OCCCCNc1ncc(cn1)I WXVL_AK0075LP3340 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.24 O=C(NCCCO)c1ccccc1 WXVL_AK0073SD0001 [0,1,0,0,0,0|1,0,1]=3 38 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.24 O=C(NCCCO)c1cccnc1 WXVL_AK0073SC0061 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.24 O=C(NCCCO)c1ccncc1 WXVL_AK0073SC0062 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.28 CCCCCCNc1ccncn1 WXVL_AK0286LP3358 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.28 CCCCCCNc1ccncn1 WXVL_AK0286LP3358 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.28 CCCCCCNc1ncccn1 WXVL_AK0286LP0002 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.28 CCCCCCNc1ncccn1 WXVL_AK0286LP0002 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.28 OCCCCCNc1ccncn1 WXVL_AK0077LP3358 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.28 OCCCCCNc1ccncn1 WXVL_AK0077LP3358 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.28 OCCCCCNc1ncccn1 WXVL_AK0077LP0002 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.28 OCCCCCNc1ncccn1 WXVL_AK0077LP0002 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.28 OCCNCCNc1ccncn1 WXVL_AK0954LP3358 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.28 OCCNCCNc1ccncn1 WXVL_AK0954LP3358 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.28 OCCNCCNc1ncccn1 WXVL_AK0954LP0002 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.28 OCCNCCNc1ncccn1 WXVL_AK0954LP0002 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.44 O=C(Cc1ccccc1)NCCF WXVL_AK00466SB0092 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,1,0,0,0,0|1,0,2]=4 65 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,1,0,0,0,0|1,0,2]=4 66 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,1,0,0,0,0|0,0,2]=3 67 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,1,0,0,0,0|0,0,2]=3 68 B13R1.555 Cc1cncnc1NCCCCO WXVL_AK0075LP0053 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.555 Cc1cncnc1NCCCCO WXVL_AK0075LP0053 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.555 OCCCCNc1ncncc1Br WXVL_AK0075LQ2111 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.555 OCCCCNc1ncncc1Br WXVL_AK0075LQ2111 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.555 OCCCCNc1ncncc1F WXVL_AK0075LP0435 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.555 OCCCCNc1ncncc1F WXVL_AK0075LP0435 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.555 OCCCCNc1ncncc1I WXVL_AK0075LP3348 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.555 OCCCCNc1ncncc1I WXVL_AK0075LP3348 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.718 CC(CO)CCNc1ccncn1 WXVL_AK4143LP3358 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.718 CC(CO)CCNc1ccncn1 WXVL_AK4143LP3358 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.718 CC(CO)CCNc1ncccn1 WXVL_AK4143LP0002 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.718 CC(CO)CCNc1ncccn1 WXVL_AK4143LP0002 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.718 O=C(CO)NCCc1ccccc1 WXVL_AK00498SB2706 [0,1,0,0,0,0|1,0,1]=3 85 B13R1.718 O=C(CO)NCCc1ccccc1 WXVL_AK00498SB2706 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.718 O=C(CO)NCCc1ccccn1 WXVL_AK0019SB2706 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.718 O=C(CO)NCCc1ccccn1 WXVL_AK0019SB2706 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.718 O=C(CO)NCCc1cccnc1 WXVL_AK00436SB2706 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.718 O=C(CO)NCCc1cccnc1 WXVL_AK00436SB2706 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.718 O=C(CO)NCCc1ccncc1 WXVL_AK0093SB2706 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.718 O=C(CO)NCCc1ccncc1 WXVL_AK0093SB2706 [0,1,0,0,0,0|2,0,1]=4 92 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,0,1,0,0,0|2,0,1]=4 93 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,0,1,0,0,0|2,0,1]=4 94 B13R2.56 OC[C@@H]1CCN1c2ccncn2 WXVL_AN3414LP3358 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.56 OC[C@@H]1CCN1c2ccncn2 WXVL_AN3414LP3358 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.56 OC[C@@H]1CCN1c2ncccn2 WXVL_AN3414LP0002 [0,0,0,1,0,0|3,0,0]=4 97 B13R2.56 OC[C@@H]1CCN1c2ncccn2 WXVL_AN3414LP0002 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.56 OC[C@H]1CCN1c2ccncn2 WXVL_AN00694LP3358 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.56 OC[C@H]1CCN1c2ncccn2 WXVL_AN00694LP0002 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.2383 c1cc(ncn1)NCC2CCO2 WXVL_AK1433LP3358 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.2383 c1cc(ncn1)NCC2CCO2 WXVL_AK1433LP3358 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.2383 c1cnc(nc1)NCC2CCO2 WXVL_AK1433LP0002 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.2383 c1cnc(nc1)NCC2CCO2 WXVL_AK1433LP0002 [0,0,0,1,0,0|3,0,0]=4 104 B12R0.47 C/C=C/C=C/C(=O)NCCCCO WXVL_AK0075SB0348 [0,1,1,0,0,0|1,0,1]=4 105 B12R0.47 C/C=C/C=C/C(=O)NCCCCO WXVL_AK0075SB0348 [0,1,1,0,0,0|1,0,1]=4 106 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.27 O=C(CO)NCc1ccccc1 WXVL_AK00502SB2706 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [1,1,0,0,0,0|0,0,2]=4 121 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [1,1,0,0,0,0|0,0,2]=4 122 B14R1.20 Cc1cccc(c1)C(=O)NCCCO WXVL_AK0073SD0056 [0,2,0,0,0,0|1,0,1]=4 123 B14R1.20 Cc1cccc(c1)C(=O)NCCCO WXVL_AK0073SD0056 [0,2,0,0,0,0|1,0,1]=4 124 B14R1.20 O=C(NCCCO)c1cccc(c1)Br WXVL_AK0073SD0041 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.20 O=C(NCCCO)c1cccc(c1)Br WXVL_AK0073SD0041 [0,2,0,0,0,0|1,0,1]=4 126 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl WXVL_AK0073SD0045 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl WXVL_AK0073SD0045 [0,2,0,0,0,0|1,0,1]=4 128 B14R1.20 O=C(NCCCO)c1cccc(c1)F WXVL_AK0073SD0043 [0,2,0,0,0,0|1,0,1]=4 129 B14R1.20 O=C(NCCCO)c1cccc(c1)F WXVL_AK0073SD0043 [0,2,0,0,0,0|1,0,1]=4 130 B14R1.20 O=C(NCCCO)c1cccc(c1)I WXVL_AK0073SD0405 [0,2,0,0,0,0|1,0,1]=4 131 B14R1.20 O=C(NCCCO)c1cccc(c1)I WXVL_AK0073SD0405 [0,2,0,0,0,0|1,0,1]=4 132 B14R1.20 O=C(NCCCO)c1cccc(c1)O WXVL_AK0073SD1724 [0,2,0,0,0,0|1,0,1]=4 133 B14R1.20 O=C(NCCCO)c1cccc(c1)O WXVL_AK0073SD1724 [0,2,0,0,0,0|1,0,1]=4 134 B14R1.26 Cc1cc(ncn1)NCCCCCO WXVL_AK0077LP0109 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.26 Cc1cc(ncn1)NCCCCCO WXVL_AK0077LP0109 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.26 Cc1ccnc(n1)NCCCCCO WXVL_AK0077LP0007 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.26 Cc1ccnc(n1)NCCCCCO WXVL_AK0077LP0007 [0,2,0,0,0,0|2,0,0]=4 138 B14R1.26 Cc1nccc(n1)NCCCCCO WXVL_AK0077LP0556 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.26 Cc1nccc(n1)NCCCCCO WXVL_AK0077LP0556 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.26 OCCCCCNc1ccnc(n1)Br WXVL_AK0077LQ4646 [0,2,0,0,0,0|2,0,0]=4 141 B14R1.26 OCCCCCNc1ccnc(n1)Br WXVL_AK0077LQ4646 [0,2,0,0,0,0|2,0,0]=4 142 B14R1.26 OCCCCCNc1nccc(n1)Br WXVL_AK0077LQ3192 [0,2,0,0,0,0|2,0,0]=4 143 B14R1.26 OCCCCCNc1nccc(n1)Br WXVL_AK0077LQ3192 [0,2,0,0,0,0|2,0,0]=4 144 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO WXVL_AK8219SB2706 [0,2,0,0,0,0|1,0,1]=4 145 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO WXVL_AK8219SB2706 [0,2,0,0,0,0|1,0,1]=4 146 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br WXVL_AK0800SB2706 [0,2,0,0,0,0|1,0,1]=4 147 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br WXVL_AK0800SB2706 [0,2,0,0,0,0|1,0,1]=4 148 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl WXVL_AK0776SB2706 [0,2,0,0,0,0|1,0,1]=4 149 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl WXVL_AK0776SB2706 [0,2,0,0,0,0|1,0,1]=4 150 B14R1.1025 O=C(CO)NCCc1cccc(c1)F WXVL_AK0117SB2706 [0,2,0,0,0,0|1,0,1]=4 151 B14R1.1025 O=C(CO)NCCc1cccc(c1)F WXVL_AK0117SB2706 [0,2,0,0,0,0|1,0,1]=4 152 B14R1.1025 O=C(CO)NCCc1cccc(c1)O WXVL_AK00421SB2706 [0,2,0,0,0,0|1,0,1]=4 153 B14R1.1025 O=C(CO)NCCc1cccc(c1)O WXVL_AK00421SB2706 [0,2,0,0,0,0|1,0,1]=4 154 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO WXVL_AK0066SB2706 [0,2,0,0,0,0|1,0,1]=4 155 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO WXVL_AK0066SB2706 [0,2,0,0,0,0|1,0,1]=4 156 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br WXVL_AK0745SB2706 [0,2,0,0,0,0|1,0,1]=4 157 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br WXVL_AK0745SB2706 [0,2,0,0,0,0|1,0,1]=4 158 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl WXVL_AK1369SB2706 [0,2,0,0,0,0|1,0,1]=4 159 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl WXVL_AK1369SB2706 [0,2,0,0,0,0|1,0,1]=4 160 B14R1.13 O=C(CO)NCCc1ccc(cc1)F WXVL_AK0123SB2706 [0,2,0,0,0,0|1,0,1]=4 161 B14R1.13 O=C(CO)NCCc1ccc(cc1)F WXVL_AK0123SB2706 [0,2,0,0,0,0|1,0,1]=4 162 B14R1.13 O=C(CO)NCCc1ccc(cc1)O WXVL_AK0748SB2706 [0,2,0,0,0,0|1,0,1]=4 163 B14R1.13 O=C(CO)NCCc1ccc(cc1)O WXVL_AK0748SB2706 [0,2,0,0,0,0|1,0,1]=4 164 B14R1.14 Cc1cnc(nc1)NCCCCCO WXVL_AK0077LP0025 [0,2,0,0,0,0|2,0,0]=4 165 B14R1.14 Cc1cnc(nc1)NCCCCCO WXVL_AK0077LP0025 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.14 OCCCCCNc1ncc(cn1)Br WXVL_AK0077LQ1546 [0,2,0,0,0,0|2,0,0]=4 167 B14R1.14 OCCCCCNc1ncc(cn1)Br WXVL_AK0077LQ1546 [0,2,0,0,0,0|2,0,0]=4 168 B14R1.14 OCCCCCNc1ncc(cn1)F WXVL_AK0077LP0017 [0,2,0,0,0,0|2,0,0]=4 169 B14R1.14 OCCCCCNc1ncc(cn1)F WXVL_AK0077LP0017 [0,2,0,0,0,0|2,0,0]=4 170 B14R1.14 OCCCCCNc1ncc(cn1)I WXVL_AK0077LP3340 [0,2,0,0,0,0|2,0,0]=4 171 B14R1.14 OCCCCCNc1ncc(cn1)I WXVL_AK0077LP3340 [0,2,0,0,0,0|2,0,0]=4 172 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO WXVL_AK0073SD0078 [0,2,0,0,0,0|1,0,1]=4 173 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO WXVL_AK0073SD0078 [0,2,0,0,0,0|1,0,1]=4 174 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br WXVL_AK0073SD0060 [0,2,0,0,0,0|1,0,1]=4 175 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br WXVL_AK0073SD0060 [0,2,0,0,0,0|1,0,1]=4 176 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl WXVL_AK0073SD0062 [0,2,0,0,0,0|1,0,1]=4 177 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl WXVL_AK0073SD0062 [0,2,0,0,0,0|1,0,1]=4 178 B14R1.19 O=C(NCCCO)c1ccc(cc1)F WXVL_AK0073SD0061 [0,2,0,0,0,0|1,0,1]=4 179 B14R1.19 O=C(NCCCO)c1ccc(cc1)F WXVL_AK0073SD0061 [0,2,0,0,0,0|1,0,1]=4 180 B14R1.19 O=C(NCCCO)c1ccc(cc1)I WXVL_AK0073SD0421 [0,2,0,0,0,0|1,0,1]=4 181 B14R1.19 O=C(NCCCO)c1ccc(cc1)I WXVL_AK0073SD0421 [0,2,0,0,0,0|1,0,1]=4 182 B14R1.19 O=C(NCCCO)c1ccc(cc1)O WXVL_AK0073SD0069 [0,2,0,0,0,0|1,0,1]=4 183 B14R1.19 O=C(NCCCO)c1ccc(cc1)O WXVL_AK0073SD0069 [0,2,0,0,0,0|1,0,1]=4 184 B14R1.19 O=C(NCCCO)c1ccc(cc1)S WXVL_AK0073SD0154 [0,2,0,0,0,0|1,0,1]=4 185 B14R1.19 O=C(NCCCO)c1ccc(cc1)S WXVL_AK0073SD0154 [0,2,0,0,0,0|1,0,1]=4 186 B14R1.29 CC(CCO)NC(=O)c1ccccc1 WXVL_AK1288SD0001 [0,2,0,0,0,0|1,0,1]=4 187 B14R1.29 CC(CCO)NC(=O)c1ccccc1 WXVL_AK1288SD0001 [0,2,0,0,0,0|1,0,1]=4 188 B14R1.38 CCCCCNC(=O)c1ccccc1 WXVL_AK0076SD0001 [0,2,0,0,0,0|1,0,1]=4 189 B14R1.38 CCCCCNC(=O)c1ccccc1 WXVL_AK0076SD0001 [0,2,0,0,0,0|1,0,1]=4 190 B14R1.38 COCCCNC(=O)c1ccccc1 WXVL_AK00637SD0001 [0,2,0,0,0,0|1,0,1]=4 191 B14R1.38 COCCCNC(=O)c1ccccc1 WXVL_AK00637SD0001 [0,2,0,0,0,0|1,0,1]=4 192 B14R1.38 O=C(NCCCCO)c1ccccc1 WXVL_AK0075SD0001 [0,2,0,0,0,0|0,0,1]=3 193 B14R1.38 O=C(NCCCCO)c1ccccc1 WXVL_AK0075SD0001 [0,2,0,0,0,0|0,0,1]=3 194 B14R1.38 O=C(NCCCCO)c1ccccn1 WXVL_AK0075SC0058 [0,2,0,0,0,0|1,0,1]=4 195 B14R1.38 O=C(NCCCCO)c1ccccn1 WXVL_AK0075SC0058 [0,2,0,0,0,0|1,0,1]=4 196 B14R1.38 O=C(NCCCCO)c1cccnc1 WXVL_AK0075SC0061 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.38 O=C(NCCCCO)c1cccnc1 WXVL_AK0075SC0061 [0,2,0,0,0,0|1,0,1]=4 198 B14R1.38 O=C(NCCCCO)c1ccncc1 WXVL_AK0075SC0062 [0,2,0,0,0,0|1,0,1]=4 199 B14R1.38 O=C(NCCCCO)c1ccncc1 WXVL_AK0075SC0062 [0,2,0,0,0,0|1,0,1]=4 200 B14R1.163 CC(CNC(=O)CO)c1ccccc1 WXVL_AK00546SB2706 [0,2,0,0,0,0|1,0,1]=4 201 B14R1.163 CC(CNC(=O)CO)c1ccccc1 WXVL_AK00546SB2706 [0,2,0,0,0,0|1,0,1]=4 202 B14R1.163 C[C@H](CNC(=O)CO)c1ccccc1 WXVL_AK00506SB2706 [0,2,0,0,0,0|1,0,1]=4 203 B14R1.163 C[C@H](CNC(=O)CO)c1ccccc1 WXVL_AK00506SB2706 [0,2,0,0,0,0|1,0,1]=4 204 B14R1.163 O=C(CO)NCC(O)c1ccccc1 WXVL_AK0051SB2706 [0,2,0,0,0,0|1,0,1]=4 205 B14R1.163 O=C(CO)NCC(O)c1ccccc1 WXVL_AK0051SB2706 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 WXVL_AK00590SD0001 [0,2,0,0,0,0|1,0,1]=4 207 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 WXVL_AK00590SD0001 [0,2,0,0,0,0|1,0,1]=4 208 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 WXVL_AK00483SD0001 [0,2,0,0,0,0|1,0,1]=4 209 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 WXVL_AK00483SD0001 [0,2,0,0,0,0|1,0,1]=4 210 B14R1.1035 Cc1ccccc1C(=O)NCCCO WXVL_AK0073SD0037 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.1035 Cc1ccccc1C(=O)NCCCO WXVL_AK0073SD0037 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.1035 O=C(NCCCO)c1ccccc1Br WXVL_AK0073SD0002 [0,2,0,0,0,0|1,0,1]=4 213 B14R1.1035 O=C(NCCCO)c1ccccc1Br WXVL_AK0073SD0002 [0,2,0,0,0,0|1,0,1]=4 214 B14R1.1035 O=C(NCCCO)c1ccccc1Cl WXVL_AK0073SD0006 [0,2,0,0,0,0|1,0,1]=4 215 B14R1.1035 O=C(NCCCO)c1ccccc1Cl WXVL_AK0073SD0006 [0,2,0,0,0,0|1,0,1]=4 216 B14R1.1035 O=C(NCCCO)c1ccccc1F WXVL_AK0073SD0003 [0,2,0,0,0,0|1,0,1]=4 217 B14R1.1035 O=C(NCCCO)c1ccccc1F WXVL_AK0073SD0003 [0,2,0,0,0,0|1,0,1]=4 218 B14R1.1035 O=C(NCCCO)c1ccccc1I WXVL_AK0073SD0303 [0,2,0,0,0,0|1,0,1]=4 219 B14R1.1035 O=C(NCCCO)c1ccccc1I WXVL_AK0073SD0303 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.1035 O=C(NCCCO)c1ccccc1O WXVL_AK0073SD00056 [0,2,0,0,0,0|1,0,1]=4 221 B14R1.1035 O=C(NCCCO)c1ccccc1O WXVL_AK0073SD00056 [0,2,0,0,0,0|1,0,1]=4 222 B14R1.1035 O=C(NCCCO)c1ccccc1S WXVL_AK0073SD0153 [0,2,0,0,0,0|1,0,1]=4 223 B14R1.1035 O=C(NCCCO)c1ccccc1S WXVL_AK0073SD0153 [0,2,0,0,0,0|1,0,1]=4 224 B14R1.123 OCCCCCCNc1ccncn1 WXVL_AK0751LP3358 [0,2,0,0,0,0|2,0,0]=4 225 B14R1.123 OCCCCCCNc1ccncn1 WXVL_AK0751LP3358 [0,2,0,0,0,0|2,0,0]=4 226 B14R1.123 OCCCCCCNc1ncccn1 WXVL_AK0751LP0002 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.123 OCCCCCCNc1ncccn1 WXVL_AK0751LP0002 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,2,0,0,0,0|1,0,1]=4 229 B14R1.156 CCCNC(=O)CCc1ccccc1 WXVL_AK00504SB0067 [0,2,0,0,0,0|1,0,1]=4 230 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,2,0,0,0,0|1,0,1]=4 231 B14R1.156 COCCC(=O)NCc1ccccc1 WXVL_AK00502SB0156 [0,2,0,0,0,0|1,0,1]=4 232 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,2,0,0,0,0|1,0,1]=4 233 B14R1.156 O=C(CCc1ccccc1)NCCF WXVL_AK00466SB0067 [0,2,0,0,0,0|1,0,1]=4 234 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,2,0,0,0,0|1,0,1]=4 235 B14R1.158 CCCCNC(=O)Cc1ccccc1 WXVL_AK00588SB0092 [0,2,0,0,0,0|1,0,1]=4 236 B14R1.158 O=C(CCCCBr)Nc1ccccc1 WXVL_AG00183SB3153 [0,2,0,0,0,0|1,0,1]=4 237 B14R1.158 O=C(CCCCBr)Nc1ccccc1 WXVL_AG00183SB3153 [0,2,0,0,0,0|1,0,1]=4 238 B14R1.158 O=C(CCCCCl)Nc1ccccc1 WXVL_AG00183SB0379 [0,2,0,0,0,0|1,0,1]=4 239 B14R1.158 O=C(CCCCCl)Nc1ccccc1 WXVL_AG00183SB0379 [0,2,0,0,0,0|1,0,1]=4 240 B14R1.158 O=C(Cc1ccccc1)NCCCO WXVL_AK0073SB0092 [0,2,0,0,0,0|0,0,1]=3 241 B14R1.158 O=C(Cc1ccccc1)NCCCO WXVL_AK0073SB0092 [0,2,0,0,0,0|0,0,1]=3 242 B14R1.158 O=C(Cc1ccccn1)NCCCO WXVL_AK0073SA0032 [0,2,0,0,0,0|1,0,1]=4 243 B14R1.158 O=C(Cc1ccccn1)NCCCO WXVL_AK0073SA0032 [0,2,0,0,0,0|1,0,1]=4 244 B14R1.158 O=C(Cc1cccnc1)NCCCO WXVL_AK0073SA0029 [0,2,0,0,0,0|1,0,1]=4 245 B14R1.158 O=C(Cc1cccnc1)NCCCO WXVL_AK0073SA0029 [0,2,0,0,0,0|1,0,1]=4 246 B14R1.158 O=C(Cc1cccnc1)NCCCO WXVL_AK0073SB00049 [0,2,0,0,0,0|1,0,1]=4 247 B14R1.158 O=C(Cc1cccnc1)NCCCO WXVL_AK0073SB00049 [0,2,0,0,0,0|1,0,1]=4 248 B14R1.158 O=C(Cc1ccncc1)NCCCO WXVL_AK0073SA00106 [0,2,0,0,0,0|1,0,1]=4 249 B14R1.158 O=C(Cc1ccncc1)NCCCO WXVL_AK0073SA00106 [0,2,0,0,0,0|1,0,1]=4 250 B14R1.422 CC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0150 [0,2,0,0,0,0|0,0,2]=4 251 B14R1.422 CC(=O)NCCCCc1ccccc1 WXVL_AK00516SB0150 [0,2,0,0,0,0|0,0,2]=4 252 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [0,2,0,0,0,0|1,0,1]=4 253 B14R1.520 CCCC(=O)NCCc1ccccc1 WXVL_AK00498SB0073 [0,2,0,0,0,0|1,0,1]=4 254 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [0,2,0,0,0,0|1,0,1]=4 255 B14R1.520 CCNC(=O)CCCc1ccccc1 WXVL_AK00476SB0121 [0,2,0,0,0,0|1,0,1]=4 256 B14R1.520 COCC(=O)NCCc1ccccc1 WXVL_AK00498SB0090 [0,2,0,0,0,0|1,0,1]=4 257 B14R1.520 COCC(=O)NCCc1ccccc1 WXVL_AK00498SB0090 [0,2,0,0,0,0|1,0,1]=4 258 B14R1.716 CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0064 [0,2,0,0,0,0|1,0,1]=4 259 B14R1.716 CCC(=O)NCCCc1ccccc1 WXVL_AK0074SB0064 [0,2,0,0,0,0|1,0,1]=4 260 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,2,0,0,0,0|0,0,2]=4 261 B14R1.716 CNC(=O)CCCCc1ccccc1 WXVL_AK00442SB0460 [0,2,0,0,0,0|0,0,2]=4 262 B14R1.716 O=C(CO)NCCCc1ccccc1 WXVL_AK0074SB2706 [0,2,0,0,0,0|0,0,1]=3 263 B14R1.716 O=C(CO)NCCCc1ccccc1 WXVL_AK0074SB2706 [0,2,0,0,0,0|0,0,1]=3 264 B14R1.716 O=C(CO)NCCCc1cccnc1 WXVL_AK2339SB2706 [0,2,0,0,0,0|1,0,1]=4 265 B14R1.716 O=C(CO)NCCCc1cccnc1 WXVL_AK2339SB2706 [0,2,0,0,0,0|1,0,1]=4 266 B14R1.716 O=C(CO)NCCCc1ccncc1 WXVL_AK1251SB2706 [0,2,0,0,0,0|1,0,1]=4 267 B14R1.716 O=C(CO)NCCCc1ccncc1 WXVL_AK1251SB2706 [0,2,0,0,0,0|1,0,1]=4 268 B14R1.716 O=C(CO)NCCNc1ccccc1 WXVL_AK2478SB2706 [0,2,0,0,0,0|1,0,1]=4 269 B14R1.716 O=C(CO)NCCNc1ccccc1 WXVL_AK2478SB2706 [0,2,0,0,0,0|1,0,1]=4 270 B14R1.716 O=C(CO)NCCOc1ccccc1 WXVL_AK0103SB2706 [0,2,0,0,0,0|1,0,1]=4 271 B14R1.716 O=C(CO)NCCOc1ccccc1 WXVL_AK0103SB2706 [0,2,0,0,0,0|1,0,1]=4 272 B14R1.882 Cc1cncnc1NCCCCCO WXVL_AK0077LP0053 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.882 Cc1cncnc1NCCCCCO WXVL_AK0077LP0053 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.882 OCCCCCNc1ncncc1Br WXVL_AK0077LQ2111 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.882 OCCCCCNc1ncncc1Br WXVL_AK0077LQ2111 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.882 OCCCCCNc1ncncc1F WXVL_AK0077LP0435 [0,2,0,0,0,0|2,0,0]=4 277 B14R1.882 OCCCCCNc1ncncc1F WXVL_AK0077LP0435 [0,2,0,0,0,0|2,0,0]=4 278 B14R1.882 OCCCCCNc1ncncc1I WXVL_AK0077LP3348 [0,2,0,0,0,0|2,0,0]=4 279 B14R1.882 OCCCCCNc1ncncc1I WXVL_AK0077LP3348 [0,2,0,0,0,0|2,0,0]=4 280 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 WXVL_AN2670SB0092 [0,2,0,0,0,0|1,0,1]=4 281 B14R1.60 CN(CCO)C(=O)Cc1ccccc1 WXVL_AN2670SB0092 [0,2,0,0,0,0|1,0,1]=4 282 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [0,2,0,0,0,0|1,0,1]=4 283 B14R1.818 CC(O)CC(=O)NCc1ccccc1 WXVL_AK00502SB3643 [0,2,0,0,0,0|1,0,1]=4 284 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 WXVL_AK0052SB0092 [0,2,0,0,0,0|1,0,1]=4 285 B14R1.423 CC(O)CNC(=O)Cc1ccccc1 WXVL_AK0052SB0092 [0,2,0,0,0,0|1,0,1]=4 286 B14R1.423 C[C@H](O)CNC(=O)Cc1ccccc1 WXVL_AK0113SB0092 [0,2,0,0,0,0|1,0,1]=4 287 B14R1.423 C[C@H](O)CNC(=O)Cc1ccccc1 WXVL_AK0113SB0092 [0,2,0,0,0,0|1,0,1]=4 288 B14R1.743 C[C@@H](CO)NC(=O)Cc1ccccc1 WXVL_AK0109SB0092 [0,2,0,0,0,0|1,0,1]=4 289 B14R1.743 C[C@@H](CO)NC(=O)Cc1ccccc1 WXVL_AK0109SB0092 [0,2,0,0,0,0|1,0,1]=4 290 B14R1.6449 C[C@@H](O)C(=O)NCCc1ccccc1 WXVL_AK00498SB1085 [0,2,0,0,0,0|1,0,1]=4 291 B14R1.6449 C[C@@H](O)C(=O)NCCc1ccccc1 WXVL_AK00498SB1085 [0,2,0,0,0,0|1,0,1]=4 292 B14R1.837 Cc1ccccc1CCNC(=O)CO WXVL_AK0254SB2706 [0,2,0,0,0,0|1,0,1]=4 293 B14R1.837 Cc1ccccc1CCNC(=O)CO WXVL_AK0254SB2706 [0,2,0,0,0,0|1,0,1]=4 294 B14R1.837 O=C(CO)NCCc1ccccc1Br WXVL_AK0778SB2706 [0,2,0,0,0,0|1,0,1]=4 295 B14R1.837 O=C(CO)NCCc1ccccc1Br WXVL_AK0778SB2706 [0,2,0,0,0,0|1,0,1]=4 296 B14R1.837 O=C(CO)NCCc1ccccc1Cl WXVL_AK0715SB2706 [0,2,0,0,0,0|1,0,1]=4 297 B14R1.837 O=C(CO)NCCc1ccccc1Cl WXVL_AK0715SB2706 [0,2,0,0,0,0|1,0,1]=4 298 B14R1.837 O=C(CO)NCCc1ccccc1F WXVL_AK0118SB2706 [0,2,0,0,0,0|1,0,1]=4 299 B14R1.837 O=C(CO)NCCc1ccccc1F WXVL_AK0118SB2706 [0,2,0,0,0,0|1,0,1]=4 300 B14R1.837 O=C(CO)NCCc1ccccc1O WXVL_AK2884SB2706 [0,2,0,0,0,0|1,0,1]=4 301 B14R1.837 O=C(CO)NCCc1ccccc1O WXVL_AK2884SB2706 [0,2,0,0,0,0|1,0,1]=4 302 B14R2.14 OC[C@@H]1CCCN1c2ccncn2 WXVL_AN0917LP3358 [0,1,0,1,0,0|2,0,0]=4 303 B14R2.14 OC[C@@H]1CCCN1c2ncccn2 WXVL_AN0917LP0002 [0,1,0,1,0,0|2,0,0]=4 304 B14R2.101 c1cc(ncn1)NC[C@@H]2CCCO2 WXVL_AK00754LP3358 [0,1,0,1,0,0|2,0,0]=4 305 B14R2.101 c1cc(ncn1)NC[C@@H]2CCCO2 WXVL_AK00754LP3358 [0,1,0,1,0,0|2,0,0]=4 306 B14R2.101 c1cnc(nc1)NC[C@@H]2CCCO2 WXVL_AK00754LP0002 [0,1,0,1,0,0|2,0,0]=4 307 B14R2.101 c1cnc(nc1)NC[C@@H]2CCCO2 WXVL_AK00754LP0002 [0,1,0,1,0,0|2,0,0]=4 308 B14R2.31359 NC(=O)[C@H]1CCCc2c1cccc2 WXVL_AK0084SB4181 [0,1,0,1,0,0|0,0,2]=4 309 B14R2.31359 NC(=O)[C@H]1CCCc2c1cccc2 WXVL_AK0084SB4181 [0,1,0,1,0,0|0,0,2]=4