0 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3ccccc3o2 WXVL_AK2136SE0105 [0,0,0,0,0,0|4,0,0]=4 1 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3ccccc3o2 WXVL_AK2136SE0105 [0,0,0,0,0,0|4,0,0]=4 2 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3cccnc3[nH]2 WXVL_AK2136SE0450 [0,0,0,0,0,0|3,0,1]=4 3 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3cccnc3[nH]2 WXVL_AK2136SE0450 [0,0,0,0,0,0|3,0,1]=4 4 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3cccnc3s2 WXVL_AK2136SE0061 [0,0,0,0,0,0|4,0,0]=4 5 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3cccnc3s2 WXVL_AK2136SE0061 [0,0,0,0,0,0|4,0,0]=4 6 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3cccnn3n2 WXVL_AK2136SC00097 [0,0,0,0,0,0|4,0,0]=4 7 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3cccnn3n2 WXVL_AK2136SC00097 [0,0,0,0,0,0|4,0,0]=4 8 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3ncccc3[nH]2 WXVL_AK2136SE0680 [0,0,0,0,0,0|4,0,0]=4 9 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cc3ncccc3[nH]2 WXVL_AK2136SE0680 [0,0,0,0,0,0|4,0,0]=4 10 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cn3cccnc3n2 WXVL_AK2136SE0332 [0,0,0,0,0,0|4,0,0]=4 11 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2cn3cccnc3n2 WXVL_AK2136SE0332 [0,0,0,0,0,0|4,0,0]=4 12 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2nc3ccccc3[nH]2 WXVL_AK2136SE0026 [0,0,0,0,0,0|4,0,0]=4 13 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2nc3ccccc3[nH]2 WXVL_AK2136SE0026 [0,0,0,0,0,0|4,0,0]=4 14 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2nc3ccccc3o2 WXVL_AK2136SE0704 [0,0,0,0,0,0|3,0,0]=3 15 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2nc3ccccc3o2 WXVL_AK2136SE0704 [0,0,0,0,0,0|3,0,0]=3 16 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2nc3ncccn3n2 WXVL_AK2136SE0103 [0,0,0,0,0,0|4,0,0]=4 17 B25R3.32645266 O=C(NCCCOCc1ccccc1)c2nc3ncccn3n2 WXVL_AK2136SE0103 [0,0,0,0,0,0|4,0,0]=4 18 B26R3.17541786 Cc1ccc2oc(cc2n1)C(=O)NCCCOCc3ccccc3 WXVL_AK2136SC00024 [0,1,0,0,0,0|3,0,0]=4 19 B26R3.17541786 Cc1ccc2oc(cc2n1)C(=O)NCCCOCc3ccccc3 WXVL_AK2136SC00024 [0,1,0,0,0,0|3,0,0]=4 20 B26R4.1545094 O=C(c1cc2ccccc2o1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0105 [0,0,0,1,0,0|3,0,0]=4 21 B26R4.1545094 O=C(c1cc2ccccc2o1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0105 [0,0,0,1,0,0|3,0,0]=4 22 B26R4.1545094 O=C(c1cc2ccccc2o1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0105 [0,0,0,1,0,0|3,0,0]=4 23 B26R4.1545094 O=C(c1cc2cccnc2[nH]1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0450 [0,0,0,1,0,0|2,0,1]=4 24 B26R4.1545094 O=C(c1cc2cccnc2[nH]1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0450 [0,0,0,1,0,0|2,0,1]=4 25 B26R4.1545094 O=C(c1cc2cccnc2[nH]1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0450 [0,0,0,1,0,0|2,0,1]=4 26 B26R4.1545094 O=C(c1cc2cccnc2s1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0061 [0,0,0,1,0,0|3,0,0]=4 27 B26R4.1545094 O=C(c1cc2cccnc2s1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0061 [0,0,0,1,0,0|3,0,0]=4 28 B26R4.1545094 O=C(c1cc2cccnc2s1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0061 [0,0,0,1,0,0|3,0,0]=4 29 B26R4.1545094 O=C(c1cc2cccnn2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SC00097 [0,0,0,1,0,0|3,0,0]=4 30 B26R4.1545094 O=C(c1cc2cccnn2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SC00097 [0,0,0,1,0,0|3,0,0]=4 31 B26R4.1545094 O=C(c1cc2cccnn2n1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SC00097 [0,0,0,1,0,0|3,0,0]=4 32 B26R4.1545094 O=C(c1cc2ncccc2[nH]1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0680 [0,0,0,1,0,0|3,0,0]=4 33 B26R4.1545094 O=C(c1cc2ncccc2[nH]1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0680 [0,0,0,1,0,0|3,0,0]=4 34 B26R4.1545094 O=C(c1cc2ncccc2[nH]1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0680 [0,0,0,1,0,0|3,0,0]=4 35 B26R4.1545094 O=C(c1cn2cccnc2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0332 [0,0,0,1,0,0|3,0,0]=4 36 B26R4.1545094 O=C(c1cn2cccnc2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0332 [0,0,0,1,0,0|3,0,0]=4 37 B26R4.1545094 O=C(c1cn2cccnc2n1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0332 [0,0,0,1,0,0|3,0,0]=4 38 B26R4.1545094 O=C(c1nc2ccccc2[nH]1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0026 [0,0,0,1,0,0|3,0,0]=4 39 B26R4.1545094 O=C(c1nc2ccccc2[nH]1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0026 [0,0,0,1,0,0|3,0,0]=4 40 B26R4.1545094 O=C(c1nc2ccccc2[nH]1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0026 [0,0,0,1,0,0|3,0,0]=4 41 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0704 [0,0,0,1,0,0|2,0,0]=3 42 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0704 [0,0,0,1,0,0|2,0,0]=3 43 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0704 [0,0,0,1,0,0|2,0,0]=3 44 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCOC[C@@H]3c4ccccc4 WXVL_AN0508SE0704 [0,0,0,1,0,0|3,0,0]=4 45 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCOC[C@H]3c4ccccc4 WXVL_AN00861SE0704 [0,0,0,1,0,0|3,0,0]=4 46 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCSCC3c4ccccc4 WXVL_AN2875SE0704 [0,0,0,1,0,0|3,0,0]=4 47 B26R4.1545094 O=C(c1nc2ccccc2o1)N3CCSCC3c4ccccc4 WXVL_AN2875SE0704 [0,0,0,1,0,0|3,0,0]=4 48 B26R4.1545094 O=C(c1nc2ncccn2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0103 [0,0,0,1,0,0|3,0,0]=4 49 B26R4.1545094 O=C(c1nc2ncccn2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0103 [0,0,0,1,0,0|3,0,0]=4 50 B26R4.1545094 O=C(c1nc2ncccn2n1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0103 [0,0,0,1,0,0|3,0,0]=4 51 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4ccccc4o3 WXVL_AK5906SE0105 [0,0,0,1,0,0|3,0,0]=4 52 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4ccccc4o3 WXVL_AK5906SE0105 [0,0,0,1,0,0|3,0,0]=4 53 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4cccnc4[nH]3 WXVL_AK5906SE0450 [0,0,0,1,0,0|2,0,1]=4 54 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4cccnc4[nH]3 WXVL_AK5906SE0450 [0,0,0,1,0,0|2,0,1]=4 55 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4cccnc4s3 WXVL_AK5906SE0061 [0,0,0,1,0,0|3,0,0]=4 56 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4cccnc4s3 WXVL_AK5906SE0061 [0,0,0,1,0,0|3,0,0]=4 57 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4cccnn4n3 WXVL_AK5906SC00097 [0,0,0,1,0,0|3,0,0]=4 58 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4cccnn4n3 WXVL_AK5906SC00097 [0,0,0,1,0,0|3,0,0]=4 59 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4ncccc4[nH]3 WXVL_AK5906SE0680 [0,0,0,1,0,0|3,0,0]=4 60 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cc4ncccc4[nH]3 WXVL_AK5906SE0680 [0,0,0,1,0,0|3,0,0]=4 61 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cn4cccnc4n3 WXVL_AK5906SE0332 [0,0,0,1,0,0|3,0,0]=4 62 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3cn4cccnc4n3 WXVL_AK5906SE0332 [0,0,0,1,0,0|3,0,0]=4 63 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3nc4ccccc4[nH]3 WXVL_AK5906SE0026 [0,0,0,1,0,0|3,0,0]=4 64 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3nc4ccccc4[nH]3 WXVL_AK5906SE0026 [0,0,0,1,0,0|3,0,0]=4 65 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK5906SE0704 [0,0,0,1,0,0|2,0,0]=3 66 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK5906SE0704 [0,0,0,1,0,0|2,0,0]=3 67 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3nc4ncccn4n3 WXVL_AK5906SE0103 [0,0,0,1,0,0|3,0,0]=4 68 B26R4.152967814 O=C(NCC1CCCc2c1cccc2)c3nc4ncccn4n3 WXVL_AK5906SE0103 [0,0,0,1,0,0|3,0,0]=4 69 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3ccccc3o2 WXVL_AK00516SE0105 [0,0,0,0,1,0|3,0,0]=4 70 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3ccccc3o2 WXVL_AK00516SE0105 [0,0,0,0,1,0|3,0,0]=4 71 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3cccnc3[nH]2 WXVL_AK00516SE0450 [0,0,0,0,1,0|2,0,1]=4 72 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3cccnc3[nH]2 WXVL_AK00516SE0450 [0,0,0,0,1,0|2,0,1]=4 73 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3cccnc3s2 WXVL_AK00516SE0061 [0,0,0,0,1,0|3,0,0]=4 74 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3cccnc3s2 WXVL_AK00516SE0061 [0,0,0,0,1,0|3,0,0]=4 75 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3cccnn3n2 WXVL_AK00516SC00097 [0,0,0,0,1,0|3,0,0]=4 76 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3cccnn3n2 WXVL_AK00516SC00097 [0,0,0,0,1,0|3,0,0]=4 77 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3ncccc3[nH]2 WXVL_AK00516SE0680 [0,0,0,0,1,0|3,0,0]=4 78 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cc3ncccc3[nH]2 WXVL_AK00516SE0680 [0,0,0,0,1,0|3,0,0]=4 79 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cn3cccnc3n2 WXVL_AK00516SE0332 [0,0,0,0,1,0|3,0,0]=4 80 B24R3.28951759 O=C(NCCCCc1ccccc1)c2cn3cccnc3n2 WXVL_AK00516SE0332 [0,0,0,0,1,0|3,0,0]=4 81 B24R3.28951759 O=C(NCCCCc1ccccc1)c2nc3ccccc3[nH]2 WXVL_AK00516SE0026 [0,0,0,0,1,0|3,0,0]=4 82 B24R3.28951759 O=C(NCCCCc1ccccc1)c2nc3ccccc3[nH]2 WXVL_AK00516SE0026 [0,0,0,0,1,0|3,0,0]=4 83 B24R3.28951759 O=C(NCCCCc1ccccc1)c2nc3ccccc3o2 WXVL_AK00516SE0704 [0,0,0,0,1,0|2,0,0]=3 84 B24R3.28951759 O=C(NCCCCc1ccccc1)c2nc3ccccc3o2 WXVL_AK00516SE0704 [0,0,0,0,1,0|2,0,0]=3 85 B24R3.28951759 O=C(NCCCCc1ccccc1)c2nc3ncccn3n2 WXVL_AK00516SE0103 [0,0,0,0,1,0|3,0,0]=4 86 B24R3.28951759 O=C(NCCCCc1ccccc1)c2nc3ncccn3n2 WXVL_AK00516SE0103 [0,0,0,0,1,0|3,0,0]=4 87 B24R3.28951759 O=C(NCCCOc1ccccc1)c2nc3ccccc3o2 WXVL_AK2366SE0704 [0,0,0,0,1,0|3,0,0]=4 88 B24R3.28951759 O=C(NCCCOc1ccccc1)c2nc3ccccc3o2 WXVL_AK2366SE0704 [0,0,0,0,1,0|3,0,0]=4 89 B24R3.28951759 O=C(NCCOCc1ccccc1)c2nc3ccccc3o2 WXVL_AK1105SE0704 [0,0,0,0,1,0|3,0,0]=4 90 B24R3.28951759 O=C(NCCOCc1ccccc1)c2nc3ccccc3o2 WXVL_AK1105SE0704 [0,0,0,0,1,0|3,0,0]=4 91 B26R3.4549812 O=C(NCCCOCc1ccccc1)c2ccc3cccnc3n2 WXVL_AK2136SE0284 [0,0,0,0,0,1|3,0,0]=4 92 B26R3.4549812 O=C(NCCCOCc1ccccc1)c2ccc3cccnc3n2 WXVL_AK2136SE0284 [0,0,0,0,0,1|3,0,0]=4 93 B25R3.13931682 Cc1ccc2oc(cc2n1)C(=O)NCCCCc3ccccc3 WXVL_AK00516SC00024 [0,1,0,0,1,0|2,0,0]=4 94 B25R3.13931682 Cc1ccc2oc(cc2n1)C(=O)NCCCCc3ccccc3 WXVL_AK00516SC00024 [0,1,0,0,1,0|2,0,0]=4 95 B25R3.42914746 O=C(NCCCCc1ccc(cc1)Cl)c2nc3ccccc3o2 WXVL_AK5305SE0704 [0,1,0,0,1,0|2,0,0]=4 96 B25R3.42914746 O=C(NCCCCc1ccc(cc1)Cl)c2nc3ccccc3o2 WXVL_AK5305SE0704 [0,1,0,0,1,0|2,0,0]=4 97 B25R4.1551014 O=C(c1nc2ccccc2o1)N3CCCC3c4ccccc4 WXVL_AN2347SE0704 [0,0,0,1,1,0|2,0,0]=4 98 B25R4.1551014 O=C(c1nc2ccccc2o1)N3CCCC3c4ccccc4 WXVL_AN2347SE0704 [0,0,0,1,1,0|2,0,0]=4 99 B25R4.1551014 O=C(c1nc2ccccc2o1)N3CCC[C@H]3c4ccccc4 WXVL_AN00549SE0704 [0,0,0,1,1,0|2,0,0]=4 100 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK0134SE0704 [0,0,0,1,1,0|2,0,0]=4 101 B25R4.441814131 O=C(N[C@@H]1CCCc2c1cccc2)c3nc4ccccc4o3 WXVL_AK0134SE0704 [0,0,0,1,1,0|2,0,0]=4 102 B27R4.1563184 O=C(c1ccc2cccnc2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0284 [0,0,0,1,0,1|2,0,0]=4 103 B27R4.1563184 O=C(c1ccc2cccnc2n1)N3CCCCC3c4ccccc4 WXVL_AN0302SE0284 [0,0,0,1,0,1|2,0,0]=4 104 B27R4.1563184 O=C(c1ccc2cccnc2n1)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SE0284 [0,0,0,1,0,1|2,0,0]=4 105 B27R4.30247468 O=C(NCC1CCCc2c1cccc2)c3ccc4cccnc4n3 WXVL_AK5906SE0284 [0,0,0,1,0,1|2,0,0]=4 106 B27R4.30247468 O=C(NCC1CCCc2c1cccc2)c3ccc4cccnc4n3 WXVL_AK5906SE0284 [0,0,0,1,0,1|2,0,0]=4 107 B27R4.1566534 O=C(c1nc2ccccc2o1)N3CCOC[C@@H]3Cc4ccccc4 WXVL_AN00830SE0704 [0,0,0,1,0,1|2,0,0]=4 108 B27R4.14128457 Cc1ccc2oc(cc2n1)C(=O)NCC3CCCc4c3cccc4 WXVL_AK5906SC00024 [0,1,0,1,0,0|2,0,0]=4 109 B27R4.14128457 Cc1ccc2oc(cc2n1)C(=O)NCC3CCCc4c3cccc4 WXVL_AK5906SC00024 [0,1,0,1,0,0|2,0,0]=4 110 B27R4.14128475 Cc1ccc2oc(cc2n1)C(=O)N3CCCCC3c4ccccc4 WXVL_AN0302SC00024 [0,1,0,1,0,0|2,0,0]=4 111 B27R4.14128475 Cc1ccc2oc(cc2n1)C(=O)N3CCCCC3c4ccccc4 WXVL_AN0302SC00024 [0,1,0,1,0,0|2,0,0]=4 112 B27R4.14128475 Cc1ccc2oc(cc2n1)C(=O)N3CCCC[C@@H]3c4ccccc4 WXVL_AN00696SC00024 [0,1,0,1,0,0|2,0,0]=4 113 B27R4.14602682 O=C(c1nc2ccccc2o1)N3CCCCC3c4ccccc4F WXVL_AN2335SE0704 [0,1,0,1,0,0|2,0,0]=4 114 B23R3.19444762 O=C(NCCCc1ccccc1)c2nc3ccccc3o2 WXVL_AK0074SE0704 [0,0,0,0,2,0|2,0,0]=4 115 B23R3.19444762 O=C(NCCCc1ccccc1)c2nc3ccccc3o2 WXVL_AK0074SE0704 [0,0,0,0,2,0|2,0,0]=4 116 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3cccnc3n2 WXVL_AK00516SE0284 [0,0,0,0,1,1|2,0,0]=4 117 B25R3.3979048 O=C(NCCCCc1ccccc1)c2ccc3cccnc3n2 WXVL_AK00516SE0284 [0,0,0,0,1,1|2,0,0]=4