0 B19R3.1799922 O=C(c1cc2ccccc2[nH]1)N3CCOCC3 WXVL_AN00478SE0001 [0,1,0,0,0,0|2,0,1]=4 1 B19R3.1799922 O=C(c1cc2ccccc2[nH]1)N3CCOCC3 WXVL_AN00478SE0001 [0,1,0,0,0,0|2,0,1]=4 2 B19R3.1799922 O=C(c1cc2ccccc2o1)N3CCOCC3 WXVL_AN00478SE0105 [0,1,0,0,0,0|2,1,0]=4 3 B19R3.1799922 O=C(c1cc2ccccc2o1)N3CCOCC3 WXVL_AN00478SE0105 [0,1,0,0,0,0|2,1,0]=4 4 B19R3.1799922 O=C(c1cc2ccccc2s1)N3CCOCC3 WXVL_AN00478SE0107 [0,1,0,0,0,0|2,0,0]=3 5 B19R3.1799922 O=C(c1cc2ccccc2s1)N3CCOCC3 WXVL_AN00478SE0107 [0,1,0,0,0,0|2,0,0]=3 6 B19R3.1799922 O=C(c1cc2ccccc2s1)N3CCSCC3 WXVL_AN0896SE0107 [0,1,0,0,0,0|2,1,0]=4 7 B19R3.1799922 O=C(c1cc2ccccn2n1)N3CCOCC3 WXVL_AN00478SE0030 [0,1,0,0,0,0|3,0,0]=4 8 B19R3.1799922 O=C(c1cc2ccccn2n1)N3CCOCC3 WXVL_AN00478SE0030 [0,1,0,0,0,0|3,0,0]=4 9 B19R3.1799922 O=C(c1cc2cccnc2s1)N3CCOCC3 WXVL_AN00478SE0061 [0,1,0,0,0,0|3,0,0]=4 10 B19R3.1799922 O=C(c1cc2cccnc2s1)N3CCOCC3 WXVL_AN00478SE0061 [0,1,0,0,0,0|3,0,0]=4 11 B19R3.1799922 O=C(c1nc2ccccc2[nH]1)N3CCOCC3 WXVL_AN00478SE0026 [0,1,0,0,0,0|2,0,0]=3 12 B19R3.1799922 O=C(c1nc2ccccc2[nH]1)N3CCOCC3 WXVL_AN00478SE0026 [0,1,0,0,0,0|2,0,0]=3 13 B19R3.1799922 O=C(c1nc2ccccc2[nH]1)N3CCSCC3 WXVL_AN0896SE0026 [0,1,0,0,0,0|2,1,0]=4 14 B19R3.1799922 O=C(c1nc2ccccc2o1)N3CCOCC3 WXVL_AN00478SE0704 [0,1,0,0,0,0|1,1,0]=3 15 B19R3.1799922 O=C(c1nc2ccccc2o1)N3CCOCC3 WXVL_AN00478SE0704 [0,1,0,0,0,0|1,1,0]=3 16 B19R3.1799922 O=C(c1nc2ccccc2o1)N3CCSCC3 WXVL_AN0896SE0704 [0,1,0,0,0,0|1,2,0]=4 17 B19R3.1799922 O=C(c1nc2ccccn2n1)N3CCOCC3 WXVL_AN00478SC00085 [0,1,0,0,0,0|3,0,0]=4 18 B19R3.1799922 O=C(c1nc2ccccn2n1)N3CCOCC3 WXVL_AN00478SC00085 [0,1,0,0,0,0|3,0,0]=4 19 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 WXVL_AG00183SB0188 [0,0,1,0,0,0|1,1,1]=4 20 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 WXVL_AG00183SB0188 [0,0,1,0,0,0|1,1,1]=4 21 B17R2.2069 COCCC(=O)Nc1nc2ccccc2s1 WXVL_AF0063SB0156 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.2069 COCCC(=O)Nc1nc2ccccc2s1 WXVL_AF0063SB0156 [0,0,1,0,0,0|3,0,0]=4 23 B17R3.8708 C1=C(CCOC1)c2cc3ccccc3s2 WXVL_LR0718BT1028 [0,0,0,0,1,0|2,0,1]=4 24 B17R3.8708 C1=C(CCOC1)c2cc3ccccc3s2 WXVL_LR0718BT1362 [0,0,0,0,1,0|2,0,1]=4 25 B17R3.8708 C1=C(CCOC1)c2nc3ccccc3[nH]2 WXVL_LR0645BT1028 [0,0,0,0,1,0|2,0,1]=4 26 B17R3.8708 C1=C(CCOC1)c2nc3ccccc3[nH]2 WXVL_LR0645BT1362 [0,0,0,0,1,0|2,0,1]=4 27 B17R3.8708 C1=C(CCOC1)c2nc3cccnc3s2 WXVL_LR0616BT1028 [0,0,0,0,1,0|2,0,1]=4 28 B17R3.8708 C1=C(CCOC1)c2nc3cccnc3s2 WXVL_LR0616BT1362 [0,0,0,0,1,0|2,0,1]=4 29 B18R2.33343 COCCN(C)C(=O)c1cc2ccccc2s1 WXVL_AN0085SE0107 [0,1,1,0,0,0|2,0,0]=4 30 B18R2.33343 COCCN(C)C(=O)c1cc2ccccc2s1 WXVL_AN0085SE0107 [0,1,1,0,0,0|2,0,0]=4 31 B18R2.33343 COCCN(C)C(=O)c1nc2ccccc2[nH]1 WXVL_AN0085SE0026 [0,1,1,0,0,0|2,0,0]=4 32 B18R2.33343 COCCN(C)C(=O)c1nc2ccccc2[nH]1 WXVL_AN0085SE0026 [0,1,1,0,0,0|2,0,0]=4 33 B18R2.33343 COCCN(C)C(=O)c1nc2ccccc2o1 WXVL_AN0085SE0704 [0,1,1,0,0,0|1,1,0]=4 34 B18R2.33343 COCCN(C)C(=O)c1nc2ccccc2o1 WXVL_AN0085SE0704 [0,1,1,0,0,0|1,1,0]=4 35 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 WXVL_AK0426SB0091 [0,1,1,0,0,0|1,0,1]=4 36 B18R2.1897 CCOCC(=O)NCc1nc2ccccc2s1 WXVL_AK0426SB0091 [0,1,1,0,0,0|1,0,1]=4 37 B18R2.75402 CCN(CCO)C(=O)c1cc2ccccc2s1 WXVL_AN3174SE0107 [0,1,1,0,0,0|2,0,0]=4 38 B18R2.75402 CCN(CCO)C(=O)c1nc2ccccc2[nH]1 WXVL_AN3174SE0026 [0,1,1,0,0,0|2,0,0]=4 39 B18R2.75402 CCN(CCO)C(=O)c1nc2ccccc2o1 WXVL_AN3174SE0704 [0,1,1,0,0,0|1,1,0]=4 40 B18R3.1438207 O=C(c1cc2ccccc2s1)N3CCCC3 WXVL_AN0008SE0107 [0,1,0,0,1,0|2,0,0]=4 41 B18R3.1438207 O=C(c1cc2ccccc2s1)N3CCCC3 WXVL_AN0008SE0107 [0,1,0,0,1,0|2,0,0]=4 42 B18R3.1438207 O=C(c1nc2ccccc2[nH]1)N3CCCC3 WXVL_AN0008SE0026 [0,1,0,0,1,0|2,0,0]=4 43 B18R3.1438207 O=C(c1nc2ccccc2[nH]1)N3CCCC3 WXVL_AN0008SE0026 [0,1,0,0,1,0|2,0,0]=4 44 B18R3.1438207 O=C(c1nc2ccccc2o1)N3CCCC3 WXVL_AN0008SE0704 [0,1,0,0,1,0|1,1,0]=4 45 B18R3.1438207 O=C(c1nc2ccccc2o1)N3CCCC3 WXVL_AN0008SE0704 [0,1,0,0,1,0|1,1,0]=4 46 B18R3.5893 Clc1cccc2c1nc(s2)C3=CCOCC3 WXVL_LR0815BT1028 [0,1,0,0,1,0|1,0,1]=4 47 B18R3.5893 Clc1cccc2c1nc(s2)C3=CCOCC3 WXVL_LR0815BT1362 [0,1,0,0,1,0|1,0,1]=4 48 B18R3.5893 Fc1cccc2c1nc(s2)C3=CCOCC3 WXVL_LR1042BT1028 [0,1,0,0,1,0|1,0,1]=4 49 B18R3.5893 Fc1cccc2c1nc(s2)C3=CCOCC3 WXVL_LR1042BT1362 [0,1,0,0,1,0|1,0,1]=4 50 B18R3.32722 Clc1ccc2nc(sc2c1)C3=CCOCC3 WXVL_LR0606BT1028 [0,1,0,0,1,0|1,0,1]=4 51 B18R3.32722 Clc1ccc2nc(sc2c1)C3=CCOCC3 WXVL_LR0606BT1362 [0,1,0,0,1,0|1,0,1]=4 52 B18R3.32722 Clc1ccc2sc(nc2c1)C3=CCOCC3 WXVL_LR1005BT1028 [0,1,0,0,1,0|1,0,1]=4 53 B18R3.32722 Clc1ccc2sc(nc2c1)C3=CCOCC3 WXVL_LR1005BT1362 [0,1,0,0,1,0|1,0,1]=4 54 B18R3.32722 Fc1ccc2nc(sc2c1)C3=CCOCC3 WXVL_LR0584BT1028 [0,1,0,0,1,0|1,0,1]=4 55 B18R3.32722 Fc1ccc2nc(sc2c1)C3=CCOCC3 WXVL_LR0584BT1362 [0,1,0,0,1,0|1,0,1]=4 56 B18R3.32722 Fc1ccc2sc(nc2c1)C3=CCOCC3 WXVL_LR0405BT1028 [0,1,0,0,1,0|1,0,1]=4 57 B18R3.32722 Fc1ccc2sc(nc2c1)C3=CCOCC3 WXVL_LR0405BT1362 [0,1,0,0,1,0|1,0,1]=4 58 B20R3.34875 O=C(c1cc2ccccc2cn1)N3CCOCC3 WXVL_AN00478SE0464 [0,1,0,0,0,1|2,0,0]=4 59 B20R3.34875 O=C(c1cc2ccccc2cn1)N3CCOCC3 WXVL_AN00478SE0464 [0,1,0,0,0,1|2,0,0]=4 60 B20R3.34875 O=C(c1ccc2ccccc2n1)N3CCOCC3 WXVL_AN00478SE0005 [0,1,0,0,0,1|2,0,0]=4 61 B20R3.34875 O=C(c1ccc2ccccc2n1)N3CCOCC3 WXVL_AN00478SE0005 [0,1,0,0,0,1|2,0,0]=4 62 B20R3.34875 O=C(c1cnc2ccccc2c1)N3CCOCC3 WXVL_AN00478SE0006 [0,1,0,0,0,1|2,0,0]=4 63 B20R3.34875 O=C(c1cnc2ccccc2c1)N3CCOCC3 WXVL_AN00478SE0006 [0,1,0,0,0,1|2,0,0]=4 64 B20R3.34875 O=C(c1cnc2ccccc2n1)N3CCOCC3 WXVL_AN00478SE0009 [0,1,0,0,0,1|2,0,0]=4 65 B20R3.34875 O=C(c1cnc2ccccc2n1)N3CCOCC3 WXVL_AN00478SE0009 [0,1,0,0,0,1|2,0,0]=4 66 B20R3.16119 O=C(Cc1cc2ccccc2s1)N3CCOCC3 WXVL_AN00478SB3591 [0,1,0,0,0,1|2,0,0]=4 67 B20R3.16119 O=C(Cc1cc2ccccc2s1)N3CCOCC3 WXVL_AN00478SB3591 [0,1,0,0,0,1|2,0,0]=4 68 B20R3.16119 O=C(Nc1nc2ccccc2s1)C3CCOCC3 WXVL_AF0063SB0149 [0,1,0,0,0,1|2,0,0]=4 69 B20R3.16119 O=C(Nc1nc2ccccc2s1)C3CCOCC3 WXVL_AF0063SB0149 [0,1,0,0,0,1|2,0,0]=4 70 B20R3.1866124 O=C(c1cc2ccccc2s1)N3CCCOCC3 WXVL_AN00350SE0107 [0,1,0,0,0,1|2,0,0]=4 71 B20R3.1866124 O=C(c1cc2ccccc2s1)N3CCCOCC3 WXVL_AN00350SE0107 [0,1,0,0,0,1|2,0,0]=4 72 B20R3.1866124 O=C(c1nc2ccccc2[nH]1)N3CCCOCC3 WXVL_AN00350SE0026 [0,1,0,0,0,1|2,0,0]=4 73 B20R3.1866124 O=C(c1nc2ccccc2[nH]1)N3CCCOCC3 WXVL_AN00350SE0026 [0,1,0,0,0,1|2,0,0]=4 74 B20R3.1866124 O=C(c1nc2ccccc2o1)N3CCCOCC3 WXVL_AN00350SE0704 [0,1,0,0,0,1|1,1,0]=4 75 B20R3.1866124 O=C(c1nc2ccccc2o1)N3CCCOCC3 WXVL_AN00350SE0704 [0,1,0,0,0,1|1,1,0]=4 76 B20R3.8734 O=C(c1sc2ccccc2c1Cl)N3CCOCC3 WXVL_AN00478SE0084 [0,2,0,0,0,0|2,0,0]=4 77 B20R3.8734 O=C(c1sc2ccccc2c1Cl)N3CCOCC3 WXVL_AN00478SE0084 [0,2,0,0,0,0|2,0,0]=4 78 B20R3.248087 Cc1cccc2c1nc([nH]2)C(=O)N3CCOCC3 WXVL_AN00478SE0513 [0,2,0,0,0,0|2,0,0]=4 79 B20R3.248087 Cc1cccc2c1nc([nH]2)C(=O)N3CCOCC3 WXVL_AN00478SE0513 [0,2,0,0,0,0|2,0,0]=4 80 B20R3.248087 O=C(c1cc2c(cccc2s1)Cl)N3CCOCC3 WXVL_AN00478SE0170 [0,2,0,0,0,0|2,0,0]=4 81 B20R3.248087 O=C(c1cc2c(cccc2s1)Cl)N3CCOCC3 WXVL_AN00478SE0170 [0,2,0,0,0,0|2,0,0]=4 82 B20R3.248087 O=C(c1cc2cccc(c2s1)Cl)N3CCOCC3 WXVL_AN00478SE0160 [0,2,0,0,0,0|2,0,0]=4 83 B20R3.248087 O=C(c1cc2cccc(c2s1)Cl)N3CCOCC3 WXVL_AN00478SE0160 [0,2,0,0,0,0|2,0,0]=4 84 B20R3.248087 O=C(c1cc2cccc(c2s1)F)N3CCOCC3 WXVL_AN00478SE0073 [0,2,0,0,0,0|2,0,0]=4 85 B20R3.248087 O=C(c1cc2cccc(c2s1)F)N3CCOCC3 WXVL_AN00478SE0073 [0,2,0,0,0,0|2,0,0]=4 86 B20R3.4835143 CC1CN(CCO1)C(=O)c2cc3ccccc3s2 WXVL_AN0569SE0107 [0,2,0,0,0,0|2,0,0]=4 87 B20R3.4835143 CC1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 WXVL_AN0569SE0026 [0,2,0,0,0,0|2,0,0]=4 88 B20R3.4835143 CC1CN(CCO1)C(=O)c2nc3ccccc3o2 WXVL_AN0569SE0704 [0,2,0,0,0,0|1,1,0]=4 89 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2cc3ccccc3s2 WXVL_AN00210SE0107 [0,2,0,0,0,0|2,0,0]=4 90 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2cc3ccccc3s2 WXVL_AN00210SE0107 [0,2,0,0,0,0|2,0,0]=4 91 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 WXVL_AN00210SE0026 [0,2,0,0,0,0|2,0,0]=4 92 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 WXVL_AN00210SE0026 [0,2,0,0,0,0|2,0,0]=4 93 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2nc3ccccc3o2 WXVL_AN00210SE0704 [0,2,0,0,0,0|1,1,0]=4 94 B20R3.4835143 C[C@@H]1CN(CCO1)C(=O)c2nc3ccccc3o2 WXVL_AN00210SE0704 [0,2,0,0,0,0|1,1,0]=4 95 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2cc3ccccc3s2 WXVL_AN00212SE0107 [0,2,0,0,0,0|2,0,0]=4 96 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2cc3ccccc3s2 WXVL_AN00212SE0107 [0,2,0,0,0,0|2,0,0]=4 97 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 WXVL_AN00212SE0026 [0,2,0,0,0,0|2,0,0]=4 98 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2nc3ccccc3[nH]2 WXVL_AN00212SE0026 [0,2,0,0,0,0|2,0,0]=4 99 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2nc3ccccc3o2 WXVL_AN00212SE0704 [0,2,0,0,0,0|1,1,0]=4 100 B20R3.4835143 C[C@H]1CN(CCO1)C(=O)c2nc3ccccc3o2 WXVL_AN00212SE0704 [0,2,0,0,0,0|1,1,0]=4 101 B20R3.4835143 O=C(c1cc2ccccc2s1)N3CCOC(C3)O WXVL_AN00776SE0107 [0,2,0,0,0,0|2,0,0]=4 102 B20R3.4835143 O=C(c1nc2ccccc2[nH]1)N3CCOC(C3)O WXVL_AN00776SE0026 [0,2,0,0,0,0|2,0,0]=4 103 B20R3.4835143 O=C(c1nc2ccccc2o1)N3CCOC(C3)O WXVL_AN00776SE0704 [0,2,0,0,0,0|1,1,0]=4 104 B20R3.94158 Cc1ccc2cc(sc2c1)C(=O)N3CCOCC3 WXVL_AN00478SE1015 [0,2,0,0,0,0|2,0,0]=4 105 B20R3.94158 Cc1ccc2cc(sc2c1)C(=O)N3CCOCC3 WXVL_AN00478SE1015 [0,2,0,0,0,0|2,0,0]=4 106 B20R3.94158 O=C(c1cc2cc(ccc2s1)Br)N3CCOCC3 WXVL_AN00478SE0385 [0,2,0,0,0,0|2,0,0]=4 107 B20R3.94158 O=C(c1cc2cc(ccc2s1)Br)N3CCOCC3 WXVL_AN00478SE0385 [0,2,0,0,0,0|2,0,0]=4 108 B20R3.94158 O=C(c1cc2cc(ccc2s1)F)N3CCOCC3 WXVL_AN00478SE0396 [0,2,0,0,0,0|2,0,0]=4 109 B20R3.94158 O=C(c1cc2cc(ccc2s1)F)N3CCOCC3 WXVL_AN00478SE0396 [0,2,0,0,0,0|2,0,0]=4 110 B20R3.94158 O=C(c1cc2ccc(cc2s1)Br)N3CCOCC3 WXVL_AN00478SE0391 [0,2,0,0,0,0|2,0,0]=4 111 B20R3.94158 O=C(c1cc2ccc(cc2s1)Br)N3CCOCC3 WXVL_AN00478SE0391 [0,2,0,0,0,0|2,0,0]=4 112 B20R3.94158 O=C(c1cc2ccc(cc2s1)Cl)N3CCOCC3 WXVL_AN00478SE0392 [0,2,0,0,0,0|2,0,0]=4 113 B20R3.94158 O=C(c1cc2ccc(cc2s1)Cl)N3CCOCC3 WXVL_AN00478SE0392 [0,2,0,0,0,0|2,0,0]=4 114 B20R3.2864785 C[C@@H]1COCCN1C(=O)c2cc3ccccc3s2 WXVL_AN00562SE0107 [0,2,0,0,0,0|2,0,0]=4 115 B20R3.2864785 C[C@@H]1COCCN1C(=O)c2nc3ccccc3[nH]2 WXVL_AN00562SE0026 [0,2,0,0,0,0|2,0,0]=4 116 B20R3.2864785 C[C@@H]1COCCN1C(=O)c2nc3ccccc3o2 WXVL_AN00562SE0704 [0,2,0,0,0,0|1,1,0]=4 117 B20R3.2864785 C[C@H]1COCCN1C(=O)c2cc3ccccc3s2 WXVL_AN00472SE0107 [0,2,0,0,0,0|2,0,0]=4 118 B20R3.2864785 C[C@H]1COCCN1C(=O)c2cc3ccccc3s2 WXVL_AN00472SE0107 [0,2,0,0,0,0|2,0,0]=4 119 B20R3.2864785 C[C@H]1COCCN1C(=O)c2nc3ccccc3[nH]2 WXVL_AN00472SE0026 [0,2,0,0,0,0|2,0,0]=4 120 B20R3.2864785 C[C@H]1COCCN1C(=O)c2nc3ccccc3[nH]2 WXVL_AN00472SE0026 [0,2,0,0,0,0|2,0,0]=4 121 B20R3.2864785 C[C@H]1COCCN1C(=O)c2nc3ccccc3o2 WXVL_AN00472SE0704 [0,2,0,0,0,0|1,1,0]=4 122 B20R3.2864785 C[C@H]1COCCN1C(=O)c2nc3ccccc3o2 WXVL_AN00472SE0704 [0,2,0,0,0,0|1,1,0]=4 123 B20R3.2846562 O=S(=O)(c1cc2ccccc2s1)N3CCOCC3 WXVL_AN00478HU0285 [0,2,0,0,0,0|1,0,1]=4 124 B20R3.2846562 O=S(=O)(c1cc2ccccc2s1)N3CCOCC3 WXVL_AN00478HU0285 [0,2,0,0,0,0|1,0,1]=4 125 B16R2.88 O=C(Cc1ccccc1)N2CCOCC2 WXVL_AN00478SB0092 [0,0,1,0,1,0|1,1,0]=4 126 B16R2.88 O=C(Cc1ccccc1)N2CCOCC2 WXVL_AN00478SB0092 [0,0,1,0,1,0|1,1,0]=4