0 B15R1.1849 C=Cc1c(ccc(c1C)C(=O)OC)OC 271570a_100011290941_100010761468 [0,0,0,0,0,0|2,0,1]=3 1 B15R1.1849 CCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000210202 [0,0,0,0,0,0|2,0,0]=2 2 B15R1.1849 CCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000210202 [0,0,0,0,0,0|2,0,0]=2 3 B15R1.1849 CCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000210202 [0,0,0,0,0,0|2,0,0]=2 4 B15R1.1849 CCC(=O)c1ccc(c(c1F)C#N)OC 1458a_200009924707_100000210202 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 11a_106832991635_100010284110 [0,0,0,0,0,0|2,0,0]=2 6 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 1626a_100102657272_100010284110 [0,0,0,0,0,0|2,0,0]=2 7 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 240690a_100102657272_100010284110 [0,0,0,0,0,0|2,0,0]=2 8 B15R1.1849 CNC(=O)c1ccc(c(c1Br)OC)OC 527a_100102657272_100010284110 [0,0,0,0,0,0|2,0,0]=2 9 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 11a_106832991635_100000092638 [0,0,0,0,0,0|2,0,0]=2 10 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 1626a_100102657272_100000092638 [0,0,0,0,0,0|2,0,0]=2 11 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 240690a_100102657272_100000092638 [0,0,0,0,0,0|2,0,0]=2 12 B15R1.1849 CNC(=O)c1ccc(c(c1C)OC)OC 527a_100102657272_100000092638 [0,0,0,0,0,0|2,0,0]=2 13 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 11a_106832991635_100011216413 [0,0,0,0,0,0|2,0,0]=2 14 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 1626a_100102657272_100011216413 [0,0,0,0,0,0|2,0,0]=2 15 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 240690a_100102657272_100011216413 [0,0,0,0,0,0|2,0,0]=2 16 B15R1.1849 CNC(=O)c1ccc(c(c1Cl)OC)OC 527a_100102657272_100011216413 [0,0,0,0,0,0|2,0,0]=2 17 B15R1.1849 CNC(=O)c1ccc(c(c1F)C#N)OC 11a_106832991635_200009924707 [0,0,0,0,0,0|4,0,0]=4 18 B15R1.1849 CNC(=O)c1ccc(c(c1F)C#N)OC 240690a_100102657272_200009924707 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.1849 COC(=O)c1ccc(c(c1C)SC)OC 62a_100010761468_200000210301 [0,0,0,0,0,0|1,1,0]=2 20 B15R1.1849 COC(=O)c1ccc(c(c1C)SC)OC 62a_200000210301_100010761468 [0,0,0,0,0,0|1,1,0]=2 21 B15R1.1849 COC(=O)c1ccc(c(c1C)S[13CH3])OC 62a_100010761468_200025704644 [0,0,0,0,0,0|1,1,0]=2 22 B15R1.1849 COC(=O)c1ccc(c(c1C)S[13CH3])OC 62a_200025704644_100010761468 [0,0,0,0,0,0|1,1,0]=2 23 B15R1.1849 COc1ccc(c(c1OC)Br)C(=O)CF 1458a_100010284110_100015361967 [0,0,0,0,0,0|3,0,0]=3 24 B15R1.1849 COc1ccc(c(c1OC)C)C(=O)CF 1458a_100000092638_100015361967 [0,0,0,0,0,0|3,0,0]=3 25 B15R1.1849 COc1ccc(c(c1OC)Cl)C(=O)CF 1458a_100011216413_100015361967 [0,0,0,0,0,0|3,0,0]=3 26 B14R1.1864 C=Cc1cc(ccc1CC)C(=O)OC 271570a_100011290941_200012360130 [1,0,0,0,0,0|2,0,1]=4 27 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)OC 271570a_100011290941_100000189012 [1,0,0,0,0,0|1,0,1]=3 28 B14R1.1864 C=Cc1cc(cnc1OC)C(=O)OC 271570a_100011290941_100010189640 [1,0,0,0,0,0|2,0,1]=4 29 B14R1.1864 C=Cc1cc(ncc1OC)C(=O)OC 271570a_100011290941_200010136175 [1,0,0,0,0,0|2,0,1]=4 30 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [1,0,0,0,0,0|1,0,1]=3 31 B14R1.1864 C=Cc1ccc(nc1OC)C(=O)OC 271570a_100011290941_100010189641 [1,0,0,0,0,0|2,0,1]=4 32 B14R1.1864 C=Cc1cnc(cc1OC)C(=O)OC 271570a_100011290941_100010136178 [1,0,0,0,0,0|2,0,1]=4 33 B14R1.1864 C=Cc1nc(ccc1OC)C(=O)OC 271570a_100011290941_100010205418 [1,0,0,0,0,0|2,0,1]=4 34 B14R1.1864 C=Cc1ncc(cc1OC)C(=O)OC 271570a_100011290941_100010074909 [1,0,0,0,0,0|2,0,1]=4 35 B14R1.1864 CCC(=O)c1ccc(c(c1)C#N)OC 1458a_100011999887_100000210202 [1,0,0,0,0,0|3,0,0]=4 36 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210202 [1,0,0,0,0,0|3,0,0]=4 37 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [1,0,0,0,0,0|1,0,0]=2 38 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [1,0,0,0,0,0|1,0,0]=2 39 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [1,0,0,0,0,0|1,0,0]=2 40 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [1,0,0,0,0,0|1,0,0]=2 41 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [1,0,0,0,0,0|1,0,0]=2 42 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [1,0,0,0,0,0|1,0,2]=4 43 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [1,0,0,0,0,0|1,0,2]=4 44 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [1,0,0,0,0,0|1,0,2]=4 45 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [1,0,0,0,0,0|1,0,2]=4 46 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 2230a_100000221037_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 269982a_100000221037_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 34a_100000221037_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 2230a_100000221037_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 269982a_100000221037_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 34a_100000221037_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200000210301_200012360130 [1,0,0,0,0,0|1,1,0]=3 53 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200012360130_200000210301 [1,0,0,0,0,0|1,1,0]=3 54 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200012360130_200025704644 [1,0,0,0,0,0|1,1,0]=3 55 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200025704644_200012360130 [1,0,0,0,0,0|1,1,0]=3 56 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 11a_106832991635_100011999887 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 1626a_100102657272_100011999887 [1,0,0,0,0,0|3,0,0]=4 58 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 240690a_100102657272_100011999887 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 527a_100102657272_100011999887 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 2230a_100000740754_200000210301 [1,0,0,0,0,0|2,0,0]=3 61 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 34a_100000740754_200000210301 [1,0,0,0,0,0|2,0,0]=3 62 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 2230a_100000740754_200025704644 [1,0,0,0,0,0|2,0,0]=3 63 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 34a_100000740754_200025704644 [1,0,0,0,0,0|2,0,0]=3 64 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 11a_106832991635_100009879710 [1,0,0,0,0,0|3,0,0]=4 65 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 1626a_100102657272_100009879710 [1,0,0,0,0,0|3,0,0]=4 66 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 240690a_100102657272_100009879710 [1,0,0,0,0,0|3,0,0]=4 67 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 527a_100102657272_100009879710 [1,0,0,0,0,0|3,0,0]=4 68 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 2230a_100011850465_200000210301 [1,0,0,0,0,0|2,0,0]=3 69 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 34a_100011850465_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 2230a_100011850465_200025704644 [1,0,0,0,0,0|2,0,0]=3 71 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 34a_100011850465_200025704644 [1,0,0,0,0,0|2,0,0]=3 72 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [1,0,0,0,0,0|1,0,0]=2 73 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [1,0,0,0,0,0|1,0,0]=2 74 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [1,0,0,0,0,0|1,0,0]=2 75 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [1,0,0,0,0,0|1,0,0]=2 76 B14R1.1864 CNC(C)c1ccc(c(c1)OC)OC 269862a_106832991636_100000171757 [1,0,0,0,0,0|2,0,1]=4 77 B14R1.1864 CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_200000210301 [1,0,0,0,0,0|2,0,1]=4 78 B14R1.1864 CNc1ccc(cc1C#N)C(=O)OC 27a_100102657272_100010150795 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.1864 CNc1ncc(cc1OC)C(=O)OC 27a_100102657272_100010074909 [1,0,0,0,0,0|2,0,0]=3 80 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200000210301_200010136175 [1,0,0,0,0,0|1,1,0]=3 81 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200010136175_200000210301 [1,0,0,0,0,0|1,1,0]=3 82 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200010136175_200025704644 [1,0,0,0,0,0|1,1,0]=3 83 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200025704644_200010136175 [1,0,0,0,0,0|1,1,0]=3 84 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_100010136178_200000210301 [1,0,0,0,0,0|1,1,0]=3 85 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_200000210301_100010136178 [1,0,0,0,0,0|1,1,0]=3 86 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_100010136178_200025704644 [1,0,0,0,0,0|1,1,0]=3 87 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010136178 [1,0,0,0,0,0|1,1,0]=3 88 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 34a_100009865136_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 7a_100009865136_200000210301 [1,0,0,0,0,0|2,0,0]=3 90 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 34a_100009865136_200025704644 [1,0,0,0,0,0|2,0,0]=3 91 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 7a_100009865136_200025704644 [1,0,0,0,0,0|2,0,0]=3 92 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)SC 62a_200000210301_100010150795 [1,0,0,0,0,0|2,1,0]=4 93 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010150795 [1,0,0,0,0,0|2,1,0]=4 94 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)SC 62a_100012274322_200000210301 [1,0,0,0,0,0|2,1,0]=4 95 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)SC 62a_200000210301_100012274322 [1,0,0,0,0,0|2,1,0]=4 96 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)S[13CH3] 62a_100012274322_200025704644 [1,0,0,0,0,0|2,1,0]=4 97 B14R1.1864 COC(=O)c1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100012274322 [1,0,0,0,0,0|2,1,0]=4 98 B14R1.1864 COC(=O)c1ccc(c(c1)CO)SC 62a_100010201863_200000210301 [1,0,0,0,0,0|2,1,0]=4 99 B14R1.1864 COC(=O)c1ccc(c(c1)CO)SC 62a_200000210301_100010201863 [1,0,0,0,0,0|2,1,0]=4 100 B14R1.1864 COC(=O)c1ccc(c(c1)CO)S[13CH3] 62a_100010201863_200025704644 [1,0,0,0,0,0|2,1,0]=4 101 B14R1.1864 COC(=O)c1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100010201863 [1,0,0,0,0,0|2,1,0]=4 102 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 34a_100000044657_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 7a_100000044657_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [1,0,0,0,0,0|0,0,0]=1 105 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [1,0,0,0,0,0|0,0,0]=1 106 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [1,0,0,0,0,0|0,0,0]=1 107 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [1,0,0,0,0,0|0,0,0]=1 108 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [1,0,0,0,0,0|0,0,0]=1 109 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [1,0,0,0,0,0|0,0,0]=1 110 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_100009816954_200000210301 [1,0,0,0,0,0|0,1,0]=2 111 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100009816954 [1,0,0,0,0,0|0,1,0]=2 112 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100009816954_200025704644 [1,0,0,0,0,0|0,1,0]=2 113 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100009816954 [1,0,0,0,0,0|0,1,0]=2 114 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 34a_100000044657_200025704644 [1,0,0,0,0,0|2,0,0]=3 115 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 7a_100000044657_200025704644 [1,0,0,0,0,0|2,0,0]=3 116 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [1,0,0,0,0,0|0,0,0]=1 117 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [1,0,0,0,0,0|0,0,0]=1 118 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C#N 62a_200000210301_100009861381 [1,0,0,0,0,0|2,1,0]=4 119 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_100012179231_200000210301 [1,0,0,0,0,0|2,1,0]=4 120 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_200000210301_100012179231 [1,0,0,0,0,0|2,1,0]=4 121 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_100012355398_200000210301 [1,0,0,0,0,0|2,1,0]=4 122 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_200000210301_100012355398 [1,0,0,0,0,0|2,1,0]=4 123 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_100000189012_200000210301 [1,0,0,0,0,0|0,1,0]=2 124 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100000189012 [1,0,0,0,0,0|0,1,0]=2 125 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100009861381 [1,0,0,0,0,0|2,1,0]=4 126 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_100012179231_200025704644 [1,0,0,0,0,0|2,1,0]=4 127 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100012179231 [1,0,0,0,0,0|2,1,0]=4 128 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_100012355398_200025704644 [1,0,0,0,0,0|2,1,0]=4 129 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_200025704644_100012355398 [1,0,0,0,0,0|2,1,0]=4 130 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100000189012_200025704644 [1,0,0,0,0,0|0,1,0]=2 131 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100000189012 [1,0,0,0,0,0|0,1,0]=2 132 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_100010189641_200000210301 [1,0,0,0,0,0|1,1,0]=3 133 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_200000210301_100010189641 [1,0,0,0,0,0|1,1,0]=3 134 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_100010189641_200025704644 [1,0,0,0,0,0|1,1,0]=3 135 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100010189641 [1,0,0,0,0,0|1,1,0]=3 136 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_100010205418_200000210301 [1,0,0,0,0,0|1,1,0]=3 137 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_200000210301_100010205418 [1,0,0,0,0,0|1,1,0]=3 138 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_100010205418_200025704644 [1,0,0,0,0,0|1,1,0]=3 139 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_200025704644_100010205418 [1,0,0,0,0,0|1,1,0]=3 140 B14R1.1864 COC(=O)c1cnc(c(c1)OC)OC 34a_100009867281_200000210301 [1,0,0,0,0,0|1,0,0]=2 141 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_100010136190_200000210301 [1,0,0,0,0,0|1,1,0]=3 142 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_200000210301_100010074909 [1,0,0,0,0,0|1,1,0]=3 143 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_100010136190_200025704644 [1,0,0,0,0,0|1,1,0]=3 144 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_200025704644_100010074909 [1,0,0,0,0,0|1,1,0]=3 145 B14R1.1864 COC(=O)c1cnc(c(c1)O[13CH3])OC 34a_100009867281_200025704644 [1,0,0,0,0,0|1,0,0]=2 146 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_100010189640_200000210301 [1,0,0,0,0,0|1,1,0]=3 147 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_200000210301_100010189640 [1,0,0,0,0,0|1,1,0]=3 148 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_100010189640_200025704644 [1,0,0,0,0,0|1,1,0]=3 149 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_200025704644_100010189640 [1,0,0,0,0,0|1,1,0]=3 150 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [1,0,0,0,0,0|2,0,0]=3 154 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [1,0,0,0,0,0|2,0,0]=3 155 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [1,0,0,0,0,0|2,0,0]=3 156 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [1,0,0,0,0,0|1,0,1]=3 157 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [1,0,0,0,0,0|1,0,1]=3 158 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [1,0,0,0,0,0|1,0,1]=3 159 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [1,0,0,0,0,0|1,0,1]=3 160 B14R1.1864 COc1ccc(cc1OC)[C@@H](C)N[13CH3] 2230a_100025717294_200025704644 [1,0,0,0,0,0|2,0,1]=4 161 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [1,0,0,0,0,0|2,0,0]=3 162 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_100000186317_200000210301 [1,0,0,0,0,0|2,1,0]=4 163 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_200000210301_100000186317 [1,0,0,0,0,0|2,1,0]=4 164 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_100000186317_200025704644 [1,0,0,0,0,0|2,1,0]=4 165 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000186317 [1,0,0,0,0,0|2,1,0]=4 166 B14R1.2023 C=C(C)c1ccc(c(c1C)OC)OC 271570a_100000694244_100010000156 [1,0,0,0,0,0|2,0,0]=3 167 B14R1.2023 C=Cc1c(ccc(c1N)C(=O)C)OC 271570a_100011290941_100010236346 [1,0,0,0,0,0|2,0,1]=4 168 B14R1.2023 COc1ccc(c(c1C#N)F)C(=O)C 1458a_200009924707_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B14R1.2023 COc1ccc(c(c1C#N)F)C(=O)[13CH3] 1458a_200009924707_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B14R1.2023 COc1ccc(c(c1OC)Br)C(=O)C 1458a_100010284110_200000210301 [1,0,0,0,0,0|1,0,0]=2 171 B14R1.2023 COc1ccc(c(c1OC)Br)C(=O)[13CH3] 1458a_100010284110_200025704644 [1,0,0,0,0,0|1,0,0]=2 172 B14R1.2023 COc1ccc(c(c1OC)C)C(=O)C 1458a_100000092638_200000210301 [1,0,0,0,0,0|1,0,0]=2 173 B14R1.2023 COc1ccc(c(c1OC)C)C(=O)[13CH3] 1458a_100000092638_200025704644 [1,0,0,0,0,0|1,0,0]=2 174 B14R1.2023 COc1ccc(c(c1OC)Cl)C(=O)C 1458a_100011216413_200000210301 [1,0,0,0,0,0|1,0,0]=2 175 B14R1.2023 COc1ccc(c(c1OC)Cl)C(=O)[13CH3] 1458a_100011216413_200025704644 [1,0,0,0,0,0|1,0,0]=2 176 B14R1.2023 COc1ccc(c(c1SC)N)C(=O)C 62a_100010236346_200000210301 [1,0,0,0,0,0|1,1,0]=3 177 B14R1.2023 COc1ccc(c(c1S[13CH3])N)C(=O)C 62a_100010236346_200025704644 [1,0,0,0,0,0|1,1,0]=3 178 B14R1.2316 C=Cc1ccc(c(c1C)C)C(=O)OC 271570a_100011290941_100010761469 [1,0,0,0,0,0|2,0,1]=4 179 B14R1.2316 C=Cc1ccc(c(c1C)F)C(=O)OC 271570a_100011290941_100010172522 [1,0,0,0,0,0|2,0,1]=4 180 B14R1.2316 C=Cc1ccc(c(c1C)N)C(=O)OC 271570a_100011290941_100000764893 [1,0,0,0,0,0|2,0,1]=4 181 B14R1.2316 C=Cc1ccc(c(c1F)O)C(=O)OC 271570a_100011290941_100011092008 [1,0,0,0,0,0|2,0,1]=4 182 B14R1.2316 C=Cc1ccc(c(c1O)C)C(=O)OC 271570a_100011290941_100010889012 [1,0,0,0,0,0|2,0,1]=4 183 B14R1.2316 C=Cc1ccc(c(c1O)F)C(=O)OC 271570a_100011290941_100011096176 [1,0,0,0,0,0|2,0,1]=4 184 B14R1.2316 CCC(=O)c1ccc(c(c1C)C)OC 1458a_200000082569_100000210202 [1,0,0,0,0,0|2,0,0]=3 185 B14R1.2316 CCC(=O)c1ccc(c(c1F)F)OC 1458a_100000061877_100000210202 [1,0,0,0,0,0|3,0,0]=4 186 B14R1.2316 CCC(=O)c1ccc(c(c1O)O)OC 1458a_100000045701_100000210202 [1,0,0,0,0,0|1,0,0]=2 187 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 11a_106832991635_200000082569 [1,0,0,0,0,0|2,0,0]=3 188 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 1626a_100102657272_200000082569 [1,0,0,0,0,0|2,0,0]=3 189 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 240690a_100102657272_200000082569 [1,0,0,0,0,0|2,0,0]=3 190 B14R1.2316 CNC(=O)c1ccc(c(c1C)C)OC 527a_100102657272_200000082569 [1,0,0,0,0,0|2,0,0]=3 191 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 11a_106832991635_100000061877 [1,0,0,0,0,0|3,0,0]=4 192 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 1626a_100102657272_100000061877 [1,0,0,0,0,0|3,0,0]=4 193 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 240690a_100102657272_100000061877 [1,0,0,0,0,0|3,0,0]=4 194 B14R1.2316 CNC(=O)c1ccc(c(c1F)F)OC 527a_100102657272_100000061877 [1,0,0,0,0,0|3,0,0]=4 195 B14R1.2316 COC(=O)c1ccc(c(c1C)C)SC 62a_100010761469_200000210301 [1,0,0,0,0,0|1,1,0]=3 196 B14R1.2316 COC(=O)c1ccc(c(c1C)C)SC 62a_200000210301_100010761469 [1,0,0,0,0,0|1,1,0]=3 197 B14R1.2316 COC(=O)c1ccc(c(c1C)C)S[13CH3] 62a_100010761469_200025704644 [1,0,0,0,0,0|1,1,0]=3 198 B14R1.2316 COC(=O)c1ccc(c(c1C)C)S[13CH3] 62a_200025704644_100010761469 [1,0,0,0,0,0|1,1,0]=3 199 B14R1.2316 COC(=O)c1ccc(c(c1C)F)SC 62a_100010291505_200000210301 [1,0,0,0,0,0|2,1,0]=4 200 B14R1.2316 COC(=O)c1ccc(c(c1C)F)SC 62a_200000210301_100010291505 [1,0,0,0,0,0|2,1,0]=4 201 B14R1.2316 COC(=O)c1ccc(c(c1C)F)S[13CH3] 62a_100010291505_200025704644 [1,0,0,0,0,0|2,1,0]=4 202 B14R1.2316 COC(=O)c1ccc(c(c1C)F)S[13CH3] 62a_200025704644_100010291505 [1,0,0,0,0,0|2,1,0]=4 203 B14R1.2316 COC(=O)c1ccc(c(c1C)O)OC 271570a_203496583355_100010761468 [1,0,0,0,0,0|1,0,0]=2 204 B14R1.2316 COC(=O)c1ccc(c(c1C)O)SC 62a_100010889012_200000210301 [1,0,0,0,0,0|1,1,0]=3 205 B14R1.2316 COC(=O)c1ccc(c(c1C)O)SC 62a_200000210301_100010889012 [1,0,0,0,0,0|1,1,0]=3 206 B14R1.2316 COC(=O)c1ccc(c(c1C)O)S[13CH3] 62a_100010889012_200025704644 [1,0,0,0,0,0|1,1,0]=3 207 B14R1.2316 COC(=O)c1ccc(c(c1C)O)S[13CH3] 62a_200025704644_100010889012 [1,0,0,0,0,0|1,1,0]=3 208 B14R1.2316 COC(=O)c1ccc(c(c1F)C)SC 62a_100010172522_200000210301 [1,0,0,0,0,0|1,1,0]=3 209 B14R1.2316 COC(=O)c1ccc(c(c1F)C)SC 62a_200000210301_100010172522 [1,0,0,0,0,0|1,1,0]=3 210 B14R1.2316 COC(=O)c1ccc(c(c1F)C)S[13CH3] 62a_100010172522_200025704644 [1,0,0,0,0,0|1,1,0]=3 211 B14R1.2316 COC(=O)c1ccc(c(c1F)C)S[13CH3] 62a_200025704644_100010172522 [1,0,0,0,0,0|1,1,0]=3 212 B14R1.2316 COC(=O)c1ccc(c(c1F)F)OC 34a_100000101000_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B14R1.2316 COC(=O)c1ccc(c(c1F)F)OC 7a_100000101000_200000210301 [1,0,0,0,0,0|2,0,0]=3 214 B14R1.2316 COC(=O)c1ccc(c(c1F)F)O[13CH3] 34a_100000101000_200025704644 [1,0,0,0,0,0|2,0,0]=3 215 B14R1.2316 COC(=O)c1ccc(c(c1F)F)O[13CH3] 7a_100000101000_200025704644 [1,0,0,0,0,0|2,0,0]=3 216 B14R1.2316 COC(=O)c1ccc(c(c1F)F)SC 62a_100010982024_200000210301 [1,0,0,0,0,0|2,1,0]=4 217 B14R1.2316 COC(=O)c1ccc(c(c1F)F)SC 62a_200000210301_100010982024 [1,0,0,0,0,0|2,1,0]=4 218 B14R1.2316 COC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_100010982024_200025704644 [1,0,0,0,0,0|2,1,0]=4 219 B14R1.2316 COC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010982024 [1,0,0,0,0,0|2,1,0]=4 220 B14R1.2316 COC(=O)c1ccc(c(c1F)O)SC 62a_100011096176_200000210301 [1,0,0,0,0,0|1,1,0]=3 221 B14R1.2316 COC(=O)c1ccc(c(c1F)O)SC 62a_200000210301_100011096176 [1,0,0,0,0,0|1,1,0]=3 222 B14R1.2316 COC(=O)c1ccc(c(c1F)O)S[13CH3] 62a_100011096176_200025704644 [1,0,0,0,0,0|1,1,0]=3 223 B14R1.2316 COC(=O)c1ccc(c(c1F)O)S[13CH3] 62a_200025704644_100011096176 [1,0,0,0,0,0|1,1,0]=3 224 B14R1.2316 COC(=O)c1ccc(c(c1N)C)SC 62a_100000764893_200000210301 [1,0,0,0,0,0|1,1,0]=3 225 B14R1.2316 COC(=O)c1ccc(c(c1N)C)S[13CH3] 62a_100000764893_200025704644 [1,0,0,0,0,0|1,1,0]=3 226 B14R1.2316 COC(=O)c1ccc(c(c1N)F)SC 62a_100022009169_200000210301 [1,0,0,0,0,0|2,1,0]=4 227 B14R1.2316 COC(=O)c1ccc(c(c1N)F)S[13CH3] 62a_100022009169_200025704644 [1,0,0,0,0,0|2,1,0]=4 228 B14R1.2316 COc1ccc(c(c1C)C)C(=O)CF 1458a_200000082569_100015361967 [1,0,0,0,0,0|3,0,0]=4 229 B14R1.2316 COc1ccc(c(c1O)O)C(=O)CF 1458a_100000045701_100015361967 [1,0,0,0,0,0|2,0,0]=3 230 B14R1.4114 C=Cc1c(ccc(c1C)C(=O)OC)C 271570a_100011290941_200010734123 [1,0,0,0,0,0|2,0,1]=4 231 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Br 1458a_100009816242_100000210202 [1,0,0,0,0,0|3,0,0]=4 232 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Cl 1458a_100010116254_100000210202 [1,0,0,0,0,0|3,0,0]=4 233 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)F 1458a_100000061937_100000210202 [1,0,0,0,0,0|3,0,0]=4 234 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 11a_106832991635_100009816242 [1,0,0,0,0,0|3,0,0]=4 235 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 1626a_100102657272_100009816242 [1,0,0,0,0,0|3,0,0]=4 236 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 240690a_100102657272_100009816242 [1,0,0,0,0,0|3,0,0]=4 237 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 527a_100102657272_100009816242 [1,0,0,0,0,0|3,0,0]=4 238 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 11a_106832991635_100010116254 [1,0,0,0,0,0|3,0,0]=4 239 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 1626a_100102657272_100010116254 [1,0,0,0,0,0|3,0,0]=4 240 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 240690a_100102657272_100010116254 [1,0,0,0,0,0|3,0,0]=4 241 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 527a_100102657272_100010116254 [1,0,0,0,0,0|3,0,0]=4 242 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 11a_106832991635_100000061937 [1,0,0,0,0,0|3,0,0]=4 243 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 1626a_100102657272_100000061937 [1,0,0,0,0,0|3,0,0]=4 244 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 240690a_100102657272_100000061937 [1,0,0,0,0,0|3,0,0]=4 245 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 527a_100102657272_100000061937 [1,0,0,0,0,0|3,0,0]=4 246 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 34a_100010889012_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 7a_100010889012_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 34a_100010889012_200025704644 [1,0,0,0,0,0|2,0,0]=3 249 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 7a_100010889012_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)C 62a_200000210301_200010734123 [1,0,0,0,0,0|1,1,0]=3 251 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)C 62a_200010734123_200000210301 [1,0,0,0,0,0|1,1,0]=3 252 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)N 62a_100010764323_200000210301 [1,0,0,0,0,0|2,1,0]=4 253 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)N 62a_200000210301_100010764323 [1,0,0,0,0,0|2,1,0]=4 254 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])C 62a_200010734123_200025704644 [1,0,0,0,0,0|1,1,0]=3 255 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])C 62a_200025704644_200010734123 [1,0,0,0,0,0|1,1,0]=3 256 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])N 62a_100010764323_200025704644 [1,0,0,0,0,0|2,1,0]=4 257 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])N 62a_200025704644_100010764323 [1,0,0,0,0,0|2,1,0]=4 258 B14R1.4114 COC(=O)c1ccc(c(c1Cl)SC)N 62a_200000210301_200016031531 [1,0,0,0,0,0|2,1,0]=4 259 B14R1.4114 COC(=O)c1ccc(c(c1Cl)SC)N 62a_200016031531_200000210301 [1,0,0,0,0,0|2,1,0]=4 260 B14R1.4114 COC(=O)c1ccc(c(c1Cl)S[13CH3])N 62a_200016031531_200025704644 [1,0,0,0,0,0|2,1,0]=4 261 B14R1.4114 COC(=O)c1ccc(c(c1Cl)S[13CH3])N 62a_200025704644_200016031531 [1,0,0,0,0,0|2,1,0]=4 262 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 34a_100011096176_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 7a_100011096176_200000210301 [1,0,0,0,0,0|2,0,0]=3 264 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 34a_100011096176_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 7a_100011096176_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B14R1.4114 COC(=O)c1ccc(c(c1F)SC)F 62a_100000697099_200000210301 [1,0,0,0,0,0|2,1,0]=4 267 B14R1.4114 COC(=O)c1ccc(c(c1F)SC)F 62a_200000210301_100000697099 [1,0,0,0,0,0|2,1,0]=4 268 B14R1.4114 COC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100000697099_200025704644 [1,0,0,0,0,0|2,1,0]=4 269 B14R1.4114 COC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100000697099 [1,0,0,0,0,0|2,1,0]=4 270 B14R1.10285 C=C=Cc1ccc(c(c1C)OC)OC 271570a_100015277604_100010000156 [1,0,0,0,0,0|2,0,1]=4 271 B14R1.10285 CC=Cc1ccc(c(c1C)OC)OC 271570a_100016259895_100010000156 [1,0,0,0,0,0|2,0,0]=3 272 B14R1.10285 CCSc1ccc(c(c1C)OC)OC 62a_100000210202_100010000156 [1,0,0,0,0,0|3,0,0]=4 273 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 207a_100102657272_100009814707 [1,0,0,0,0,0|2,0,1]=4 274 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 270004a_106832991635_100009814707 [1,0,0,0,0,0|2,0,1]=4 275 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 207a_100102657272_100000050322 [1,0,0,0,0,0|2,0,1]=4 276 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 270004a_106832991635_100000050322 [1,0,0,0,0,0|2,0,1]=4 277 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 207a_100102657272_100000033805 [1,0,0,0,0,0|2,0,1]=4 278 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 2230a_106832991635_100011890039 [1,0,0,0,0,0|2,0,1]=4 279 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 270004a_106832991635_100000033805 [1,0,0,0,0,0|2,0,1]=4 280 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 7a_106832991635_100011890039 [1,0,0,0,0,0|2,0,1]=4 282 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 207a_100102657272_100009852382 [1,0,0,0,0,0|2,0,1]=4 283 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 270004a_106832991635_100009852382 [1,0,0,0,0,0|2,0,1]=4 284 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 207a_100102657272_100010191550 [1,0,0,0,0,0|2,0,1]=4 285 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 270004a_106832991635_100010191550 [1,0,0,0,0,0|2,0,1]=4 286 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_200000210301 [1,0,0,0,0,0|1,0,1]=3 287 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_200000210301 [1,0,0,0,0,0|1,0,1]=3 288 B14R1.10285 COc1ccc(c(c1OC)Cl)CN[13CH3] 34a_102515433231_200025704644 [1,0,0,0,0,0|2,0,1]=4 289 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 34a_100011218542_200025704644 [1,0,0,0,0,0|1,0,1]=3 290 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 7a_100011218542_200025704644 [1,0,0,0,0,0|1,0,1]=3 291 B14R1.10285 COc1ccc(c(c1OC)Cl)CSC 62a_200000210301_100011890039 [1,0,0,0,0,0|1,1,1]=4 292 B14R1.10285 COc1ccc(c(c1OC)Cl)CS[13CH3] 62a_200025704644_100011890039 [1,0,0,0,0,0|1,1,1]=4 293 B16R1.20126 COc1ccc(c(c1OC)Br)C(=O)C(C)C 1458a_100010284110_100000210206 [0,1,0,0,0,0|2,0,0]=3 294 B16R1.20126 COc1ccc(c(c1OC)Br)C(=O)N(C)C 11a_100102631434_100010284110 [0,1,0,0,0,0|2,0,0]=3 295 B16R1.20126 COc1ccc(c(c1OC)Br)C(=O)N(C)C 1626a_100102631434_100010284110 [0,1,0,0,0,0|2,0,0]=3 296 B16R1.20126 COc1ccc(c(c1OC)Br)C(=O)N(C)C 240690a_100102631434_100010284110 [0,1,0,0,0,0|2,0,0]=3 297 B16R1.20126 COc1ccc(c(c1OC)Br)C(=O)N(C)C 527a_100102631434_100010284110 [0,1,0,0,0,0|2,0,0]=3 298 B16R1.20126 COc1ccc(c(c1OC)C)C(=C(C)C)C 271570a_200000049429_100010000156 [0,1,0,0,0,0|3,0,0]=4 299 B16R1.20126 COc1ccc(c(c1OC)C)C(=O)C(C)C 1458a_100000092638_100000210206 [0,1,0,0,0,0|2,0,0]=3 300 B16R1.20126 COc1ccc(c(c1OC)C)C(=O)N(C)C 11a_100102631434_100000092638 [0,1,0,0,0,0|2,0,0]=3 301 B16R1.20126 COc1ccc(c(c1OC)C)C(=O)N(C)C 1626a_100102631434_100000092638 [0,1,0,0,0,0|2,0,0]=3 302 B16R1.20126 COc1ccc(c(c1OC)C)C(=O)N(C)C 240690a_100102631434_100000092638 [0,1,0,0,0,0|2,0,0]=3 303 B16R1.20126 COc1ccc(c(c1OC)C)C(=O)N(C)C 527a_100102631434_100000092638 [0,1,0,0,0,0|2,0,0]=3 304 B16R1.20126 COc1ccc(c(c1OC)Cl)C(=O)C(C)C 1458a_100011216413_100000210206 [0,1,0,0,0,0|2,0,0]=3 305 B16R1.20126 COc1ccc(c(c1OC)Cl)C(=O)N(C)C 11a_100102631434_100011216413 [0,1,0,0,0,0|2,0,0]=3 306 B16R1.20126 COc1ccc(c(c1OC)Cl)C(=O)N(C)C 1626a_100102631434_100011216413 [0,1,0,0,0,0|2,0,0]=3 307 B16R1.20126 COc1ccc(c(c1OC)Cl)C(=O)N(C)C 240690a_100102631434_100011216413 [0,1,0,0,0,0|2,0,0]=3 308 B16R1.20126 COc1ccc(c(c1OC)Cl)C(=O)N(C)C 527a_100102631434_100011216413 [0,1,0,0,0,0|2,0,0]=3 309 B16R1.20187 C=C(C)c1c(ccc(c1C)C(=O)OC)OC 271570a_100000694244_100010761468 [0,1,0,0,0,0|2,0,0]=3 310 B16R1.25775 C=CCc1ccc(c(c1OC)C)C(=O)OC 34a_200010675153_200000210301 [0,1,0,0,0,0|2,0,1]=4 311 B16R1.25775 C=CCc1ccc(c(c1OC)C)C(=O)OC 7a_200010675153_200000210301 [0,1,0,0,0,0|2,0,1]=4 312 B16R1.25775 C=CCc1ccc(c(c1O[13CH3])C)C(=O)OC 34a_200010675153_200025704644 [0,1,0,0,0,0|2,0,1]=4 313 B16R1.25775 C=CCc1ccc(c(c1O[13CH3])C)C(=O)OC 7a_200010675153_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B16R1.30631 CCC(=O)c1ccc(c(c1OC)OC)OC 1458a_100000211208_100000210202 [0,1,0,0,0,0|1,0,0]=2 315 B16R1.30631 CNC(=O)c1ccc(c(c1OC)OC)OC 11a_106832991635_100000211208 [0,1,0,0,0,0|1,0,0]=2 316 B16R1.30631 CNC(=O)c1ccc(c(c1OC)OC)OC 1626a_100102657272_100000211208 [0,1,0,0,0,0|1,0,0]=2 317 B16R1.30631 CNC(=O)c1ccc(c(c1OC)OC)OC 240690a_100102657272_100000211208 [0,1,0,0,0,0|1,0,0]=2 318 B16R1.30631 CNC(=O)c1ccc(c(c1OC)OC)OC 527a_100102657272_100000211208 [0,1,0,0,0,0|1,0,0]=2 319 B16R1.30631 COc1ccc(c(c1OC)OC)C(=O)CF 1458a_100000211208_100015361967 [0,1,0,0,0,0|2,0,0]=3 320 B16R1.48114 C=C=Cc1c(ccc(c1C)C(=O)OC)OC 271570a_100015277604_100010761468 [0,1,0,0,0,0|2,0,1]=4 321 B16R1.48114 CC=Cc1c(ccc(c1C)C(=O)OC)OC 271570a_100016259895_100010761468 [0,1,0,0,0,0|2,0,0]=3 322 B16R1.48114 CCSc1c(ccc(c1C)C(=O)OC)OC 62a_100000210202_100010761468 [0,1,0,0,0,0|1,1,0]=3 323 B16R1.48114 CCSc1c(ccc(c1C)C(=O)OC)OC 62a_100010761468_100000210202 [0,1,0,0,0,0|1,1,0]=3 324 B16R1.48114 COC(=O)c1ccc(c(c1C)SCF)OC 62a_100010761468_100015361967 [0,1,0,0,0,0|1,1,0]=3 325 B16R1.48114 COC(=O)c1ccc(c(c1C)SCF)OC 62a_100015361967_100010761468 [0,1,0,0,0,0|1,1,0]=3 326 B16R1.70664 C#CCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000184674 [0,1,0,0,0,0|2,0,1]=4 327 B16R1.70664 C#CCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000184674 [0,1,0,0,0,0|2,0,1]=4 328 B16R1.70664 C#CCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000184674 [0,1,0,0,0,0|2,0,1]=4 329 B16R1.70664 C=CCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000210623 [0,1,0,0,0,0|2,0,1]=4 330 B16R1.70664 C=CCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000210623 [0,1,0,0,0,0|2,0,1]=4 331 B16R1.70664 C=CCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000210623 [0,1,0,0,0,0|2,0,1]=4 332 B16R1.70664 CCCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000210303 [0,1,0,0,0,0|2,0,0]=3 333 B16R1.70664 CCCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000210303 [0,1,0,0,0,0|2,0,0]=3 334 B16R1.70664 CCCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000210303 [0,1,0,0,0,0|2,0,0]=3 335 B16R1.70664 CCNC(=O)c1ccc(c(c1Br)OC)OC 11a_100015525214_100010284110 [0,1,0,0,0,0|2,0,0]=3 336 B16R1.70664 CCNC(=O)c1ccc(c(c1Br)OC)OC 240690a_100015525214_100010284110 [0,1,0,0,0,0|2,0,0]=3 337 B16R1.70664 CCNC(=O)c1ccc(c(c1Br)OC)OC 527a_100015525214_100010284110 [0,1,0,0,0,0|2,0,0]=3 338 B16R1.70664 CCNC(=O)c1ccc(c(c1C)OC)OC 11a_100015525214_100000092638 [0,1,0,0,0,0|2,0,0]=3 339 B16R1.70664 CCNC(=O)c1ccc(c(c1C)OC)OC 240690a_100015525214_100000092638 [0,1,0,0,0,0|2,0,0]=3 340 B16R1.70664 CCNC(=O)c1ccc(c(c1C)OC)OC 527a_100015525214_100000092638 [0,1,0,0,0,0|2,0,0]=3 341 B16R1.70664 CCNC(=O)c1ccc(c(c1Cl)OC)OC 11a_100015525214_100011216413 [0,1,0,0,0,0|2,0,0]=3 342 B16R1.70664 CCNC(=O)c1ccc(c(c1Cl)OC)OC 240690a_100015525214_100011216413 [0,1,0,0,0,0|2,0,0]=3 343 B16R1.70664 CCNC(=O)c1ccc(c(c1Cl)OC)OC 527a_100015525214_100011216413 [0,1,0,0,0,0|2,0,0]=3 344 B16R1.70664 CNNC(=O)c1ccc(c(c1Br)OC)OC 22a_100016993582_100010284110 [0,1,0,0,0,0|2,0,0]=3 345 B16R1.70664 CNNC(=O)c1ccc(c(c1C)OC)OC 22a_100016993582_100000092638 [0,1,0,0,0,0|2,0,0]=3 346 B16R1.70664 CNNC(=O)c1ccc(c(c1Cl)OC)OC 22a_100016993582_100011216413 [0,1,0,0,0,0|2,0,0]=3 347 B16R1.70664 COc1ccc(c(c1OC)Br)C(=O)CC#N 1458a_100010284110_100011214920 [0,1,0,0,0,0|2,0,1]=4 348 B16R1.70664 COc1ccc(c(c1OC)Br)C(=O)CCF 1458a_100010284110_100011217306 [0,1,0,0,0,0|2,0,0]=3 349 B16R1.70664 COc1ccc(c(c1OC)Br)C(=O)CCO 1458a_100010284110_100000211926 [0,1,0,0,0,0|2,0,0]=3 350 B16R1.70664 COc1ccc(c(c1OC)C)C(=O)CC#N 1458a_100000092638_100011214920 [0,1,0,0,0,0|2,0,1]=4 351 B16R1.70664 COc1ccc(c(c1OC)C)C(=O)CCF 1458a_100000092638_100011217306 [0,1,0,0,0,0|2,0,0]=3 352 B16R1.70664 COc1ccc(c(c1OC)C)C(=O)CCO 1458a_100000092638_100000211926 [0,1,0,0,0,0|2,0,0]=3 353 B16R1.70664 COc1ccc(c(c1OC)Cl)C(=O)CC#N 1458a_100011216413_100011214920 [0,1,0,0,0,0|2,0,1]=4 354 B16R1.70664 COc1ccc(c(c1OC)Cl)C(=O)CCF 1458a_100011216413_100011217306 [0,1,0,0,0,0|2,0,0]=3 355 B16R1.70664 COc1ccc(c(c1OC)Cl)C(=O)CCO 1458a_100011216413_100000211926 [0,1,0,0,0,0|2,0,0]=3 356 B16R1.88007 C#CC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000211873_100011890039 [0,0,0,0,0,1|2,0,1]=4 357 B16R1.88007 C=CC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000185746_100011890039 [0,0,0,0,0,1|2,0,1]=4 358 B16R1.88007 CCC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000210414_100011890039 [0,0,0,0,0,1|2,0,0]=3 359 B16R1.88007 CCC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100012648522_100000210202 [0,0,0,0,0,1|2,0,0]=3 360 B16R1.88007 CCC(=O)Cc1ccc(c(c1F)OC)OC 1458a_200010293705_100000210202 [0,0,0,0,0,1|2,0,0]=3 361 B16R1.88007 CNC(=O)Cc1ccc(c(c1Cl)OC)OC 11a_106832991635_100012648522 [0,0,0,0,0,1|2,0,0]=3 362 B16R1.88007 CNC(=O)Cc1ccc(c(c1Cl)OC)OC 1626a_100102657272_100012648522 [0,0,0,0,0,1|2,0,0]=3 363 B16R1.88007 CNC(=O)Cc1ccc(c(c1Cl)OC)OC 240690a_100102657272_100012648522 [0,0,0,0,0,1|2,0,0]=3 364 B16R1.88007 CNC(=O)Cc1ccc(c(c1Cl)OC)OC 527a_100102657272_100012648522 [0,0,0,0,0,1|2,0,0]=3 365 B16R1.88007 CNC(=O)Cc1ccc(c(c1F)OC)OC 11a_106832991635_200010293705 [0,0,0,0,0,1|2,0,0]=3 366 B16R1.88007 CNC(=O)Cc1ccc(c(c1F)OC)OC 1626a_100102657272_200010293705 [0,0,0,0,0,1|2,0,0]=3 367 B16R1.88007 CNC(=O)Cc1ccc(c(c1F)OC)OC 240690a_100102657272_200010293705 [0,0,0,0,0,1|2,0,0]=3 368 B16R1.88007 CNC(=O)Cc1ccc(c(c1F)OC)OC 527a_100102657272_200010293705 [0,0,0,0,0,1|2,0,0]=3 369 B16R1.88007 COC(=O)Cc1ccc(c(c1O)OC)OC 271570a_203496583355_200039450660 [0,0,0,0,0,1|0,0,0]=1 370 B16R1.88007 COc1ccc(c(c1OC)C)SC(C)OC 62a_100009879195_100010000156 [0,0,0,0,0,1|2,0,1]=4 371 B16R1.88007 COc1ccc(c(c1OC)Cl)CC(=O)CF 1458a_100012648522_100015361967 [0,0,0,0,0,1|3,0,0]=4 372 B16R1.88007 COc1ccc(c(c1OC)Cl)CC(=O)CO 1458a_100000210174_100011890039 [0,0,0,0,0,1|3,0,0]=4 373 B16R1.88007 COc1ccc(c(c1OC)F)CC(=O)CF 1458a_200010293705_100015361967 [0,0,0,0,0,1|3,0,0]=4 374 B13R1.49 C=Cc1cc(ccc1C)C(=O)OC 271570a_100011290941_100011218856 [2,0,0,0,0,0|1,0,1]=4 375 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [2,0,0,0,0,0|1,0,1]=4 376 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [2,0,0,0,0,0|2,0,0]=4 377 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [2,0,0,0,0,0|1,0,0]=3 378 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [2,0,0,0,0,0|2,0,0]=4 379 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [2,0,0,0,0,0|2,0,0]=4 380 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [2,0,0,0,0,0|2,0,0]=4 381 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [2,0,0,0,0,0|1,0,0]=3 382 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [2,0,0,0,0,0|2,0,0]=4 383 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [2,0,0,0,0,0|2,0,0]=4 384 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [2,0,0,0,0,0|2,0,0]=4 385 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [2,0,0,0,0,0|2,0,0]=4 386 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [2,0,0,0,0,0|2,0,0]=4 387 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [2,0,0,0,0,0|2,0,0]=4 388 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [2,0,0,0,0,0|2,0,0]=4 389 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [2,0,0,0,0,0|2,0,0]=4 390 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [2,0,0,0,0,0|2,0,0]=4 391 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [2,0,0,0,0,0|2,0,0]=4 392 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [2,0,0,0,0,0|1,0,0]=3 393 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [2,0,0,0,0,0|1,0,0]=3 394 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [2,0,0,0,0,0|1,0,0]=3 395 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [2,0,0,0,0,0|1,0,0]=3 396 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [2,0,0,0,0,0|2,0,0]=4 397 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [2,0,0,0,0,0|2,0,0]=4 398 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [2,0,0,0,0,0|2,0,0]=4 399 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [2,0,0,0,0,0|2,0,0]=4 400 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [2,0,0,0,0,0|2,0,0]=4 401 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [2,0,0,0,0,0|2,0,0]=4 402 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [2,0,0,0,0,0|2,0,0]=4 403 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [2,0,0,0,0,0|2,0,0]=4 404 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [2,0,0,0,0,0|2,0,0]=4 405 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [2,0,0,0,0,0|2,0,0]=4 406 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [2,0,0,0,0,0|2,0,0]=4 407 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [2,0,0,0,0,0|2,0,0]=4 408 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [2,0,0,0,0,0|1,0,0]=3 409 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_100000065005_200000210301 [2,0,0,0,0,0|1,1,0]=4 410 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_200000210301_100000065005 [2,0,0,0,0,0|1,1,0]=4 411 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_100000065005_200025704644 [2,0,0,0,0,0|1,1,0]=4 412 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_200025704644_100000065005 [2,0,0,0,0,0|1,1,0]=4 413 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [2,0,0,0,0,0|1,0,0]=3 414 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [2,0,0,0,0,0|2,0,0]=4 415 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [2,0,0,0,0,0|2,0,0]=4 416 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [2,0,0,0,0,0|2,0,0]=4 417 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [2,0,0,0,0,0|1,0,0]=3 418 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [2,0,0,0,0,0|1,0,0]=3 419 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [2,0,0,0,0,0|0,0,0]=2 420 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [2,0,0,0,0,0|0,0,0]=2 421 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [2,0,0,0,0,0|1,0,0]=3 422 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [2,0,0,0,0,0|1,0,0]=3 423 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [2,0,0,0,0,0|1,0,0]=3 424 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [2,0,0,0,0,0|1,0,0]=3 425 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [2,0,0,0,0,0|1,0,0]=3 426 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [2,0,0,0,0,0|1,0,0]=3 427 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [2,0,0,0,0,0|1,0,0]=3 428 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [2,0,0,0,0,0|1,0,0]=3 429 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [2,0,0,0,0,0|0,0,0]=2 430 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [2,0,0,0,0,0|1,0,0]=3 431 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [2,0,0,0,0,0|1,0,0]=3 432 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [2,0,0,0,0,0|0,0,0]=2 433 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [2,0,0,0,0,0|0,0,0]=2 434 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [2,0,0,0,0,0|1,0,0]=3 435 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [2,0,0,0,0,0|1,0,0]=3 436 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [2,0,0,0,0,0|1,0,0]=3 437 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [2,0,0,0,0,0|1,0,0]=3 438 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [2,0,0,0,0,0|1,0,0]=3 439 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [2,0,0,0,0,0|1,0,0]=3 440 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [2,0,0,0,0,0|1,0,0]=3 441 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [2,0,0,0,0,0|1,0,0]=3 442 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [2,0,0,0,0,0|1,1,0]=4 443 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [2,0,0,0,0,0|1,1,0]=4 444 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [2,0,0,0,0,0|0,1,0]=3 445 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [2,0,0,0,0,0|0,1,0]=3 446 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [2,0,0,0,0,0|1,1,0]=4 447 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [2,0,0,0,0,0|1,1,0]=4 448 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [2,0,0,0,0,0|1,1,0]=4 449 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [2,0,0,0,0,0|1,1,0]=4 450 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [2,0,0,0,0,0|1,1,0]=4 451 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [2,0,0,0,0,0|1,1,0]=4 452 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [2,0,0,0,0,0|0,1,0]=3 453 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [2,0,0,0,0,0|0,1,0]=3 454 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [2,0,0,0,0,0|1,1,0]=4 455 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [2,0,0,0,0,0|1,1,0]=4 456 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [2,0,0,0,0,0|0,1,0]=3 457 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [2,0,0,0,0,0|0,1,0]=3 458 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [2,0,0,0,0,0|1,1,0]=4 459 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [2,0,0,0,0,0|1,1,0]=4 460 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [2,0,0,0,0,0|1,1,0]=4 461 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [2,0,0,0,0,0|1,1,0]=4 462 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [2,0,0,0,0,0|1,1,0]=4 463 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [2,0,0,0,0,0|1,1,0]=4 464 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [2,0,0,0,0,0|0,1,0]=3 465 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [2,0,0,0,0,0|0,1,0]=3 466 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [2,0,0,0,0,0|1,0,0]=3 467 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_100010143800_200000210301 [2,0,0,0,0,0|1,1,0]=4 468 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_200000210301_100010143800 [2,0,0,0,0,0|1,1,0]=4 469 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [2,0,0,0,0,0|1,1,0]=4 470 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [2,0,0,0,0,0|1,1,0]=4 471 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_100010143800_200025704644 [2,0,0,0,0,0|1,1,0]=4 472 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_200025704644_100010143800 [2,0,0,0,0,0|1,1,0]=4 473 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [2,0,0,0,0,0|1,1,0]=4 474 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [2,0,0,0,0,0|1,1,0]=4 475 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [2,0,0,0,0,0|2,0,0]=4 476 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [2,0,0,0,0,0|2,0,0]=4 477 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [2,0,0,0,0,0|2,0,0]=4 478 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [2,0,0,0,0,0|2,0,0]=4 479 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [2,0,0,0,0,0|2,0,0]=4 480 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [2,0,0,0,0,0|2,0,0]=4 481 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [2,0,0,0,0,0|1,0,0]=3 482 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [2,0,0,0,0,0|2,0,0]=4 483 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [2,0,0,0,0,0|2,0,0]=4 484 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [2,0,0,0,0,0|2,0,0]=4 485 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [2,0,0,0,0,0|2,0,0]=4 486 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [2,0,0,0,0,0|2,0,0]=4 487 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [2,0,0,0,0,0|2,0,0]=4 488 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [2,0,0,0,0,0|1,1,0]=4 489 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [2,0,0,0,0,0|1,1,0]=4 490 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [2,0,0,0,0,0|1,1,0]=4 491 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [2,0,0,0,0,0|1,1,0]=4 492 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [2,0,0,0,0,0|2,0,0]=4 493 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [2,0,0,0,0,0|2,0,0]=4 494 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [2,0,0,0,0,0|1,0,1]=4 495 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [2,0,0,0,0,0|2,0,0]=4 496 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [2,0,0,0,0,0|2,0,0]=4 497 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [2,0,0,0,0,0|1,0,0]=3 498 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [2,0,0,0,0,0|1,0,0]=3 499 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [2,0,0,0,0,0|1,0,0]=3 500 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [2,0,0,0,0,0|1,1,0]=4 501 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [2,0,0,0,0,0|1,1,0]=4 502 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [2,0,0,0,0,0|2,0,0]=4 503 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [2,0,0,0,0,0|2,0,0]=4 504 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [2,0,0,0,0,0|1,0,1]=4 505 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [2,0,0,0,0,0|1,0,1]=4 506 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [2,0,0,0,0,0|1,0,1]=4 507 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [2,0,0,0,0,0|1,0,1]=4 508 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [2,0,0,0,0,0|2,0,0]=4 509 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [2,0,0,0,0,0|2,0,0]=4 510 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [2,0,0,0,0,0|2,0,0]=4 511 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [2,0,0,0,0,0|1,0,1]=4 512 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [2,0,0,0,0,0|1,0,1]=4 513 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [2,0,0,0,0,0|1,0,1]=4 514 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [2,0,0,0,0,0|1,0,1]=4 515 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [2,0,0,0,0,0|1,0,1]=4 516 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [2,0,0,0,0,0|1,0,1]=4 517 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [2,0,0,0,0,0|0,0,1]=3 518 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [2,0,0,0,0,0|1,0,1]=4 519 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [2,0,0,0,0,0|0,0,1]=3 520 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [2,0,0,0,0,0|0,1,1]=4 521 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [2,0,0,0,0,0|0,1,1]=4 522 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [2,0,0,0,0,0|1,0,1]=4 523 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [2,0,0,0,0,0|1,0,1]=4 524 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [2,0,0,0,0,0|2,0,0]=4 525 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [2,0,0,0,0,0|1,0,0]=3 526 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [2,0,0,0,0,0|1,1,0]=4 527 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [2,0,0,0,0,0|1,1,0]=4 528 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [2,0,0,0,0,0|1,1,0]=4 529 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [2,0,0,0,0,0|1,1,0]=4 530 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [2,0,0,0,0,0|2,0,0]=4 531 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [2,0,0,0,0,0|2,0,0]=4 532 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [2,0,0,0,0,0|2,0,0]=4 533 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [2,0,0,0,0,0|2,0,0]=4 534 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [2,0,0,0,0,0|2,0,0]=4 535 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [2,0,0,0,0,0|2,0,0]=4 536 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [2,0,0,0,0,0|2,0,0]=4 537 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [2,0,0,0,0,0|2,0,0]=4 538 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [2,0,0,0,0,0|1,0,0]=3 539 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [2,0,0,0,0,0|2,0,0]=4 540 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [2,0,0,0,0,0|2,0,0]=4 541 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [2,0,0,0,0,0|1,0,0]=3 542 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [2,0,0,0,0,0|2,0,0]=4 543 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [2,0,0,0,0,0|2,0,0]=4 544 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [2,0,0,0,0,0|2,0,0]=4 545 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [2,0,0,0,0,0|2,0,0]=4 546 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 2230a_100000739472_200000210301 [2,0,0,0,0,0|2,0,0]=4 547 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200013065384 [2,0,0,0,0,0|2,0,0]=4 548 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 34a_100000739472_200000210301 [2,0,0,0,0,0|2,0,0]=4 549 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 7a_100000739472_200000210301 [2,0,0,0,0,0|2,0,0]=4 550 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000739472_200025704644 [2,0,0,0,0,0|2,0,0]=4 551 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000739472_200025704644 [2,0,0,0,0,0|2,0,0]=4 552 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000739472_200025704644 [2,0,0,0,0,0|2,0,0]=4 553 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [2,0,0,0,0,0|1,0,0]=3 554 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [2,0,0,0,0,0|1,0,0]=3 555 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [2,0,0,0,0,0|1,0,0]=3 556 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [2,0,0,0,0,0|1,0,0]=3 557 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200013065384 [2,0,0,0,0,0|1,1,0]=4 558 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200013065384_200000210301 [2,0,0,0,0,0|1,1,0]=4 559 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200013065384_200025704644 [2,0,0,0,0,0|1,1,0]=4 560 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200013065384 [2,0,0,0,0,0|1,1,0]=4 561 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [2,0,0,0,0,0|2,0,0]=4 562 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [2,0,0,0,0,0|2,0,0]=4 563 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [2,0,0,0,0,0|2,0,0]=4 564 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [2,0,0,0,0,0|2,0,0]=4 565 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [2,0,0,0,0,0|2,0,0]=4 566 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [2,0,0,0,0,0|2,0,0]=4 567 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [2,0,0,0,0,0|2,0,0]=4 568 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [2,0,0,0,0,0|2,0,0]=4 569 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [2,0,0,0,0,0|2,0,0]=4 570 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [2,0,0,0,0,0|2,0,0]=4 571 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [2,0,0,0,0,0|2,0,0]=4 572 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [2,0,0,0,0,0|2,0,0]=4 573 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [2,0,0,0,0,0|1,0,0]=3 574 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [2,0,0,0,0,0|1,0,0]=3 575 B13R1.3088 CNc1ncc(cc1C)C(=O)OC 27a_100102657272_100009862495 [2,0,0,0,0,0|2,0,0]=4 576 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [2,0,0,0,0,0|1,0,0]=3 577 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_100010080863_200000210301 [2,0,0,0,0,0|1,1,0]=4 578 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_200000210301_100010080863 [2,0,0,0,0,0|1,1,0]=4 579 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_100010080863_200025704644 [2,0,0,0,0,0|1,1,0]=4 580 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100010080863 [2,0,0,0,0,0|1,1,0]=4 581 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [2,0,0,0,0,0|1,0,0]=3 582 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [2,0,0,0,0,0|1,0,0]=3 583 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [2,0,0,0,0,0|1,0,0]=3 584 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [2,0,0,0,0,0|1,0,0]=3 585 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [2,0,0,0,0,0|1,1,0]=4 586 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [2,0,0,0,0,0|1,1,0]=4 587 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [2,0,0,0,0,0|1,1,0]=4 588 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [2,0,0,0,0,0|1,1,0]=4 589 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [2,0,0,0,0,0|0,0,0]=2 590 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [2,0,0,0,0,0|0,0,0]=2 591 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [2,0,0,0,0,0|0,0,0]=2 592 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [2,0,0,0,0,0|0,0,0]=2 593 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [2,0,0,0,0,0|0,1,0]=3 594 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [2,0,0,0,0,0|0,1,0]=3 595 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [2,0,0,0,0,0|0,1,0]=3 596 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [2,0,0,0,0,0|0,1,0]=3 597 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [2,0,0,0,0,0|1,0,0]=3 598 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [2,0,0,0,0,0|1,0,0]=3 599 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [2,0,0,0,0,0|1,0,0]=3 600 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [2,0,0,0,0,0|1,0,0]=3 601 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [2,0,0,0,0,0|1,1,0]=4 602 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [2,0,0,0,0,0|1,1,0]=4 603 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [2,0,0,0,0,0|1,1,0]=4 604 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [2,0,0,0,0,0|1,1,0]=4 605 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [2,0,0,0,0,0|1,0,0]=3 606 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [2,0,0,0,0,0|1,0,0]=3 607 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [2,0,0,0,0,0|1,0,0]=3 608 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [2,0,0,0,0,0|1,0,0]=3 609 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [2,0,0,0,0,0|1,1,0]=4 610 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [2,0,0,0,0,0|1,1,0]=4 611 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [2,0,0,0,0,0|1,1,0]=4 612 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [2,0,0,0,0,0|1,1,0]=4 613 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [2,0,0,0,0,0|1,0,0]=3 614 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [2,0,0,0,0,0|1,0,0]=3 615 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [2,0,0,0,0,0|1,0,0]=3 616 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [2,0,0,0,0,0|1,0,0]=3 617 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [2,0,0,0,0,0|1,0,0]=3 618 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [2,0,0,0,0,0|1,0,0]=3 619 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [2,0,0,0,0,0|1,0,0]=3 620 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [2,0,0,0,0,0|1,0,0]=3 621 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [2,0,0,0,0,0|1,1,0]=4 622 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [2,0,0,0,0,0|1,1,0]=4 623 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [2,0,0,0,0,0|1,1,0]=4 624 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [2,0,0,0,0,0|1,1,0]=4 625 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [2,0,0,0,0,0|2,0,0]=4 626 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [2,0,0,0,0,0|2,0,0]=4 627 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [2,0,0,0,0,0|2,0,0]=4 628 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [2,0,0,0,0,0|0,0,0]=2 629 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [2,0,0,0,0,0|0,1,0]=3 630 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [2,0,0,0,0,0|0,1,0]=3 631 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [2,0,0,0,0,0|0,1,0]=3 632 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [2,0,0,0,0,0|0,1,0]=3 633 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 34a_200009815348_200000210301 [2,0,0,0,0,0|2,0,0]=4 634 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 7a_200009815348_200000210301 [2,0,0,0,0,0|2,0,0]=4 635 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 34a_200009815348_200025704644 [2,0,0,0,0,0|2,0,0]=4 636 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 7a_200009815348_200025704644 [2,0,0,0,0,0|2,0,0]=4 637 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_100010207261_200000210301 [2,0,0,0,0,0|1,1,0]=4 638 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_200000210301_100010207261 [2,0,0,0,0,0|1,1,0]=4 639 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_100010207261_200025704644 [2,0,0,0,0,0|1,1,0]=4 640 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_200025704644_100010207261 [2,0,0,0,0,0|1,1,0]=4 641 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [2,0,0,0,0,0|1,0,0]=3 642 B13R1.3088 COC(=O)c1ccc(c(n1)O)SC 62a_200000210301_100010189637 [2,0,0,0,0,0|1,1,0]=4 643 B13R1.3088 COC(=O)c1ccc(c(n1)O)S[13CH3] 62a_200025704644_100010189637 [2,0,0,0,0,0|1,1,0]=4 644 B13R1.3088 COC(=O)c1cnc(c(c1)Br)OC 34a_100015192546_200000210301 [2,0,0,0,0,0|2,0,0]=4 645 B13R1.3088 COC(=O)c1cnc(c(c1)Br)O[13CH3] 34a_100015192546_200025704644 [2,0,0,0,0,0|2,0,0]=4 646 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200000210301_100009862495 [2,0,0,0,0,0|1,1,0]=4 647 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200010136688_200000210301 [2,0,0,0,0,0|1,1,0]=4 648 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200010136688_200025704644 [2,0,0,0,0,0|1,1,0]=4 649 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009862495 [2,0,0,0,0,0|1,1,0]=4 650 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [2,0,0,0,0,0|1,0,0]=3 651 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_100010999399_200000210301 [2,0,0,0,0,0|1,1,0]=4 652 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010999399 [2,0,0,0,0,0|1,1,0]=4 653 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_100010999399_200025704644 [2,0,0,0,0,0|1,1,0]=4 654 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010999399 [2,0,0,0,0,0|1,1,0]=4 655 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [2,0,0,0,0,0|2,0,0]=4 656 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [2,0,0,0,0,0|2,0,0]=4 657 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [2,0,0,0,0,0|2,0,0]=4 658 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [2,0,0,0,0,0|2,0,0]=4 659 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [2,0,0,0,0,0|2,0,0]=4 660 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [2,0,0,0,0,0|1,0,0]=3 661 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [2,0,0,0,0,0|1,1,0]=4 662 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [2,0,0,0,0,0|1,1,0]=4 663 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [2,0,0,0,0,0|2,0,0]=4 664 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [2,0,0,0,0,0|2,0,0]=4 665 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [2,0,0,0,0,0|1,0,1]=4 666 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [2,0,0,0,0,0|1,0,1]=4 667 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [2,0,0,0,0,0|2,0,0]=4 668 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [2,0,0,0,0,0|2,0,0]=4 669 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [2,0,0,0,0,0|2,0,0]=4 670 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [2,0,0,0,0,0|2,0,0]=4 671 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [2,0,0,0,0,0|2,0,0]=4 672 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [2,0,0,0,0,0|2,0,0]=4 673 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [2,0,0,0,0,0|2,0,0]=4 674 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [2,0,0,0,0,0|2,0,0]=4 675 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [2,0,0,0,0,0|2,0,0]=4 676 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [2,0,0,0,0,0|0,0,0]=2 677 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [2,0,0,0,0,0|0,0,0]=2 678 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [2,0,0,0,0,0|0,0,2]=4 679 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [2,0,0,0,0,0|0,0,2]=4 680 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [2,0,0,0,0,0|1,0,1]=4 681 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [2,0,0,0,0,0|1,0,1]=4 682 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [2,0,0,0,0,0|0,1,0]=3 683 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [2,0,0,0,0,0|1,1,0]=4 684 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [2,0,0,0,0,0|0,1,0]=3 685 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [2,0,0,0,0,0|1,1,0]=4 686 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [2,0,0,0,0,0|2,0,0]=4 687 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [2,0,0,0,0,0|2,0,0]=4 688 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [2,0,0,0,0,0|2,0,0]=4 689 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [2,0,0,0,0,0|2,0,0]=4 690 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [2,0,0,0,0,0|2,0,0]=4 691 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [2,0,0,0,0,0|2,0,0]=4 692 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [2,0,0,0,0,0|0,0,0]=2 693 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [2,0,0,0,0,0|0,0,0]=2 694 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [2,0,0,0,0,0|0,0,0]=2 695 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [2,0,0,0,0,0|0,0,0]=2 696 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [2,0,0,0,0,0|0,0,0]=2 697 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [2,0,0,0,0,0|0,0,0]=2 698 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [2,0,0,0,0,0|0,0,2]=4 699 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [2,0,0,0,0,0|0,0,2]=4 700 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [2,0,0,0,0,0|1,0,1]=4 701 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [2,0,0,0,0,0|1,0,1]=4 702 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [2,0,0,0,0,0|1,0,1]=4 703 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [2,0,0,0,0,0|1,0,1]=4 704 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [2,0,0,0,0,0|0,0,0]=2 705 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [2,0,0,0,0,0|0,0,0]=2 706 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [2,0,0,0,0,0|1,0,1]=4 707 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [2,0,0,0,0,0|1,0,1]=4 708 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [2,0,0,0,0,0|0,1,0]=3 709 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [2,0,0,0,0,0|0,1,0]=3 710 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [2,0,0,0,0,0|0,1,0]=3 711 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [2,0,0,0,0,0|0,1,0]=3 712 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [2,0,0,0,0,0|1,0,1]=4 713 B13R1.2422 CNc1ccc(c(c1OC)F)OC 34a_100000070076_200000210301 [2,0,0,0,0,0|2,0,0]=4 714 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200000210301_200010981996 [2,0,0,0,0,0|1,1,0]=4 715 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200010981996_200000210301 [2,0,0,0,0,0|1,1,0]=4 716 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200010981996_200025704644 [2,0,0,0,0,0|1,1,0]=4 717 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_200010981996 [2,0,0,0,0,0|1,1,0]=4 718 B13R1.2422 COc1ccc(c(c1C)OC)SC 62a_100010234078_200000210301 [2,0,0,0,0,0|1,1,0]=4 719 B13R1.2422 COc1ccc(c(c1C)OC)SC 62a_200000210301_100010234078 [2,0,0,0,0,0|1,1,0]=4 720 B13R1.2422 COc1ccc(c(c1C)OC)S[13CH3] 62a_100010234078_200025704644 [2,0,0,0,0,0|1,1,0]=4 721 B13R1.2422 COc1ccc(c(c1C)OC)S[13CH3] 62a_200025704644_100010234078 [2,0,0,0,0,0|1,1,0]=4 722 B13R1.2422 COc1ccc(c(c1F)OC)N[13CH3] 34a_100000070076_200025704644 [2,0,0,0,0,0|2,0,0]=4 723 B13R1.2422 COc1ccc(c(c1F)OC)SC 62a_200000210301_200010341284 [2,0,0,0,0,0|1,1,0]=4 724 B13R1.2422 COc1ccc(c(c1F)OC)SC 62a_200010341284_200000210301 [2,0,0,0,0,0|1,1,0]=4 725 B13R1.2422 COc1ccc(c(c1F)OC)S[13CH3] 62a_200010341284_200025704644 [2,0,0,0,0,0|1,1,0]=4 726 B13R1.2422 COc1ccc(c(c1F)OC)S[13CH3] 62a_200025704644_200010341284 [2,0,0,0,0,0|1,1,0]=4 727 B13R1.2422 COc1ccc(c(c1F)SC)OC 62a_200000210301_200016180952 [2,0,0,0,0,0|1,1,0]=4 728 B13R1.2422 COc1ccc(c(c1F)SC)OC 62a_200016180952_200000210301 [2,0,0,0,0,0|1,1,0]=4 729 B13R1.2422 COc1ccc(c(c1F)S[13CH3])OC 62a_200016180952_200025704644 [2,0,0,0,0,0|1,1,0]=4 730 B13R1.2422 COc1ccc(c(c1F)S[13CH3])OC 62a_200025704644_200016180952 [2,0,0,0,0,0|1,1,0]=4 731 B13R1.2422 COc1ccc(c(c1OC)C)SC 62a_200000210301_100010000156 [2,0,0,0,0,0|1,1,0]=4 732 B13R1.2422 COc1ccc(c(c1OC)C)S[13CH3] 62a_200025704644_100010000156 [2,0,0,0,0,0|1,1,0]=4 733 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [2,0,0,0,0,0|0,0,0]=2 734 B13R1.2422 COc1ccc(c(c1SC)O)C=O 62a_200000210301_100016072024 [2,0,0,0,0,0|0,1,0]=3 735 B13R1.2422 COc1ccc(c(c1S[13CH3])O)C=O 62a_200025704644_100016072024 [2,0,0,0,0,0|0,1,0]=3 736 B13R1.3096 C=C(C)c1ccc(c(c1C)C)OC 271570a_100000694244_100000049725 [2,0,0,0,0,0|2,0,0]=4 737 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [2,0,0,0,0,0|1,0,0]=3 738 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [2,0,0,0,0,0|1,0,0]=3 739 B13R1.3096 COc1ccc(c(c1F)F)C(=O)C 1458a_100000061877_200000210301 [2,0,0,0,0,0|2,0,0]=4 740 B13R1.3096 COc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100000061877_200025704644 [2,0,0,0,0,0|2,0,0]=4 741 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [2,0,0,0,0,0|1,0,0]=3 742 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [2,0,0,0,0,0|0,0,0]=2 743 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [2,0,0,0,0,0|0,0,0]=2 744 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [2,0,0,0,0,0|2,0,0]=4 745 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [2,0,0,0,0,0|2,0,0]=4 746 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [2,0,0,0,0,0|2,0,0]=4 747 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [2,0,0,0,0,0|2,0,0]=4 748 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [2,0,0,0,0,0|2,0,0]=4 749 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [2,0,0,0,0,0|2,0,0]=4 750 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [2,0,0,0,0,0|1,0,1]=4 751 B13R1.95 CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210202 [2,0,0,0,0,0|2,0,0]=4 752 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [2,0,0,0,0,0|2,0,0]=4 753 B13R1.95 CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210202 [2,0,0,0,0,0|2,0,0]=4 754 B13R1.95 CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210202 [2,0,0,0,0,0|2,0,0]=4 755 B13R1.95 CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210202 [2,0,0,0,0,0|2,0,0]=4 756 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [2,0,0,0,0,0|1,0,0]=3 757 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [2,0,0,0,0,0|2,0,0]=4 758 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [2,0,0,0,0,0|2,0,0]=4 759 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [2,0,0,0,0,0|2,0,0]=4 760 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [2,0,0,0,0,0|2,0,0]=4 761 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [2,0,0,0,0,0|2,0,0]=4 762 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [2,0,0,0,0,0|2,0,0]=4 763 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [2,0,0,0,0,0|2,0,0]=4 764 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [2,0,0,0,0,0|2,0,0]=4 765 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [2,0,0,0,0,0|2,0,0]=4 766 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [2,0,0,0,0,0|2,0,0]=4 767 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [2,0,0,0,0,0|2,0,0]=4 768 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [2,0,0,0,0,0|2,0,0]=4 769 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [2,0,0,0,0,0|2,0,0]=4 770 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [2,0,0,0,0,0|2,0,0]=4 771 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [2,0,0,0,0,0|2,0,0]=4 772 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [2,0,0,0,0,0|2,0,0]=4 773 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [2,0,0,0,0,0|2,0,0]=4 774 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [2,0,0,0,0,0|2,0,0]=4 775 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [2,0,0,0,0,0|2,0,0]=4 776 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [2,0,0,0,0,0|2,0,0]=4 777 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [2,0,0,0,0,0|2,0,0]=4 778 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [2,0,0,0,0,0|2,0,0]=4 779 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [2,0,0,0,0,0|1,0,0]=3 780 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [2,0,0,0,0,0|1,0,0]=3 781 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [2,0,0,0,0,0|1,0,0]=3 782 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [2,0,0,0,0,0|1,0,0]=3 783 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [2,0,0,0,0,0|1,0,0]=3 784 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [2,0,0,0,0,0|1,0,0]=3 785 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [2,0,0,0,0,0|1,0,0]=3 786 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [2,0,0,0,0,0|1,1,0]=4 787 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [2,0,0,0,0,0|1,1,0]=4 788 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [2,0,0,0,0,0|1,1,0]=4 789 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [2,0,0,0,0,0|1,1,0]=4 790 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [2,0,0,0,0,0|1,0,0]=3 791 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [2,0,0,0,0,0|1,0,0]=3 792 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [2,0,0,0,0,0|1,0,0]=3 793 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [2,0,0,0,0,0|1,0,0]=3 794 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [2,0,0,0,0,0|1,1,0]=4 795 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [2,0,0,0,0,0|1,1,0]=4 796 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [2,0,0,0,0,0|1,1,0]=4 797 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [2,0,0,0,0,0|1,1,0]=4 798 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [2,0,0,0,0,0|1,0,0]=3 799 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [2,0,0,0,0,0|1,0,0]=3 800 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [2,0,0,0,0,0|1,0,0]=3 801 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [2,0,0,0,0,0|1,0,0]=3 802 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [2,0,0,0,0,0|1,1,0]=4 803 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [2,0,0,0,0,0|1,1,0]=4 804 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [2,0,0,0,0,0|1,1,0]=4 805 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [2,0,0,0,0,0|1,1,0]=4 806 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [2,0,0,0,0,0|1,0,0]=3 807 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [2,0,0,0,0,0|1,0,0]=3 808 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [2,0,0,0,0,0|1,0,0]=3 809 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [2,0,0,0,0,0|1,0,0]=3 810 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [2,0,0,0,0,0|1,1,0]=4 811 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [2,0,0,0,0,0|1,1,0]=4 812 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [2,0,0,0,0,0|1,1,0]=4 813 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [2,0,0,0,0,0|1,1,0]=4 814 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [2,0,0,0,0,0|1,0,0]=3 815 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [2,0,0,0,0,0|1,0,0]=3 816 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [2,0,0,0,0,0|1,0,0]=3 817 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [2,0,0,0,0,0|1,0,0]=3 818 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [2,0,0,0,0,0|1,1,0]=4 819 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [2,0,0,0,0,0|1,1,0]=4 820 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [2,0,0,0,0,0|2,0,0]=4 821 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [2,0,0,0,0,0|2,0,0]=4 822 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [2,0,0,0,0,0|0,0,0]=2 823 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [2,0,0,0,0,0|0,1,0]=3 824 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [2,0,0,0,0,0|0,1,0]=3 825 B13R1.95 COC(=O)c1ccc(nc1O)OC 271570a_203496583355_100010136187 [2,0,0,0,0,0|1,0,0]=3 826 B13R1.95 COC(=O)c1cnc(cc1O)OC 271570a_203496583355_100010136350 [2,0,0,0,0,0|1,0,0]=3 827 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 34a_100009855505_200000210301 [2,0,0,0,0,0|2,0,0]=4 828 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 7a_100009855505_200000210301 [2,0,0,0,0,0|2,0,0]=4 829 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 34a_100009855505_200025704644 [2,0,0,0,0,0|2,0,0]=4 830 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 7a_100009855505_200025704644 [2,0,0,0,0,0|2,0,0]=4 831 B13R1.95 COC(=O)c1ncc(cc1O)SC 62a_200000210301_100010071521 [2,0,0,0,0,0|1,1,0]=4 832 B13R1.95 COC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100010071521 [2,0,0,0,0,0|1,1,0]=4 833 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [2,0,0,0,0,0|2,0,0]=4 834 B13R1.1254 CC=Cc1ccc(c(c1C)C)OC 271570a_100016259895_100000049725 [2,0,0,0,0,0|2,0,0]=4 835 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [2,0,0,0,0,0|2,0,0]=4 836 B13R1.1808 CCC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_100000210202 [2,0,0,0,0,0|2,0,0]=4 837 B13R1.1808 CCC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_100000210202 [2,0,0,0,0,0|2,0,0]=4 838 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_100000210202 [2,0,0,0,0,0|1,0,0]=3 839 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [2,0,0,0,0,0|1,0,0]=3 840 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [2,0,0,0,0,0|2,0,0]=4 841 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 11a_106832991635_100010768504 [2,0,0,0,0,0|2,0,0]=4 842 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 1626a_100102657272_100010768504 [2,0,0,0,0,0|2,0,0]=4 843 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 240690a_100102657272_100010768504 [2,0,0,0,0,0|2,0,0]=4 844 B13R1.1808 CNC(=O)c1ccc(c(c1F)C)C 527a_100102657272_100010768504 [2,0,0,0,0,0|2,0,0]=4 845 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 11a_106832991635_100010188221 [2,0,0,0,0,0|2,0,0]=4 846 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 1626a_100102657272_100010188221 [2,0,0,0,0,0|2,0,0]=4 847 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 240690a_100102657272_100010188221 [2,0,0,0,0,0|2,0,0]=4 848 B13R1.1808 CNC(=O)c1ccc(c(c1I)C)C 527a_100102657272_100010188221 [2,0,0,0,0,0|2,0,0]=4 849 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 240690a_100102657272_100000742916 [2,0,0,0,0,0|1,0,0]=3 850 B13R1.1808 CNC(=O)c1ccc(c(c1O)C)C 527a_100102657272_100000742916 [2,0,0,0,0,0|1,0,0]=3 851 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [2,0,0,0,0,0|1,0,0]=3 852 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [2,0,0,0,0,0|2,0,0]=4 853 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [2,0,0,0,0,0|1,0,0]=3 854 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [2,0,0,0,0,0|2,0,0]=4 855 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [2,0,0,0,0,0|1,0,0]=3 856 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [2,0,0,0,0,0|2,0,0]=4 857 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [2,0,0,0,0,0|1,0,0]=3 858 B13R1.1808 COC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010982024 [2,0,0,0,0,0|2,0,0]=4 859 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [2,0,0,0,0,0|2,0,0]=4 860 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [2,0,0,0,0,0|1,0,0]=3 861 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [2,0,0,0,0,0|1,0,0]=3 862 B13R1.1808 COC(=O)c1ccc(c(c1N)F)O 271570a_203496583355_100022009169 [2,0,0,0,0,0|2,0,0]=4 863 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [2,0,0,0,0,0|2,0,0]=4 864 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [2,0,0,0,0,0|1,0,0]=3 865 B13R1.1808 Cc1ccc(c(c1C)O)C(=O)CF 1458a_100000742916_100015361967 [2,0,0,0,0,0|2,0,0]=4 866 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [2,0,0,0,0,0|2,0,0]=4 867 B13R1.82 C=Cc1cccc(c1O)C(=O)OC 271570a_100011290941_100009816214 [2,0,0,0,0,0|1,0,1]=4 868 B13R1.82 CCC(=O)c1cccc(c1Br)OC 1458a_100010245468_100000210202 [2,0,0,0,0,0|2,0,0]=4 869 B13R1.82 CCC(=O)c1cccc(c1C)OC 1458a_100011217801_100000210202 [2,0,0,0,0,0|2,0,0]=4 870 B13R1.82 CCC(=O)c1cccc(c1Cl)OC 1458a_100000068443_100000210202 [2,0,0,0,0,0|2,0,0]=4 871 B13R1.82 CCC(=O)c1cccc(c1F)OC 1458a_100000766180_100000210202 [2,0,0,0,0,0|2,0,0]=4 872 B13R1.82 CCC(=O)c1cccc(c1I)OC 1458a_100010075502_100000210202 [2,0,0,0,0,0|2,0,0]=4 873 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [2,0,0,0,0,0|1,0,0]=3 874 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [2,0,0,0,0,0|1,0,0]=3 875 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [2,0,0,0,0,0|2,0,0]=4 876 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [2,0,0,0,0,0|2,0,0]=4 877 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [2,0,0,0,0,0|2,0,0]=4 878 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [2,0,0,0,0,0|2,0,0]=4 879 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [2,0,0,0,0,0|2,0,0]=4 880 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [2,0,0,0,0,0|2,0,0]=4 881 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [2,0,0,0,0,0|2,0,0]=4 882 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [2,0,0,0,0,0|2,0,0]=4 883 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [2,0,0,0,0,0|2,0,0]=4 884 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [2,0,0,0,0,0|2,0,0]=4 885 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [2,0,0,0,0,0|2,0,0]=4 886 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [2,0,0,0,0,0|2,0,0]=4 887 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [2,0,0,0,0,0|2,0,0]=4 888 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [2,0,0,0,0,0|2,0,0]=4 889 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [2,0,0,0,0,0|2,0,0]=4 890 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [2,0,0,0,0,0|2,0,0]=4 891 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [2,0,0,0,0,0|2,0,0]=4 892 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [2,0,0,0,0,0|2,0,0]=4 893 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [2,0,0,0,0,0|2,0,0]=4 894 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [2,0,0,0,0,0|2,0,0]=4 895 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [2,0,0,0,0,0|1,0,0]=3 896 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [2,0,0,0,0,0|1,0,0]=3 897 B13R1.82 COC(=O)c1cccc(c1Br)OC 34a_200010230364_200000210301 [2,0,0,0,0,0|1,0,0]=3 898 B13R1.82 COC(=O)c1cccc(c1Br)OC 7a_200010230364_200000210301 [2,0,0,0,0,0|1,0,0]=3 899 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 34a_200010230364_200025704644 [2,0,0,0,0,0|1,0,0]=3 900 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 7a_200010230364_200025704644 [2,0,0,0,0,0|1,0,0]=3 901 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_100010240208_200000210301 [2,0,0,0,0,0|1,1,0]=4 902 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_200000210301_100010240208 [2,0,0,0,0,0|1,1,0]=4 903 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_100010240208_200025704644 [2,0,0,0,0,0|1,1,0]=4 904 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_200025704644_100010240208 [2,0,0,0,0,0|1,1,0]=4 905 B13R1.82 COC(=O)c1cccc(c1C)OC 34a_100011999632_200000210301 [2,0,0,0,0,0|1,0,0]=3 906 B13R1.82 COC(=O)c1cccc(c1C)OC 7a_100011999632_200000210301 [2,0,0,0,0,0|1,0,0]=3 907 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 34a_100011999632_200025704644 [2,0,0,0,0,0|1,0,0]=3 908 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 7a_100011999632_200025704644 [2,0,0,0,0,0|1,0,0]=3 909 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_100012298220_200000210301 [2,0,0,0,0,0|1,1,0]=4 910 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_200000210301_100012298220 [2,0,0,0,0,0|1,1,0]=4 911 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_100012298220_200025704644 [2,0,0,0,0,0|1,1,0]=4 912 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012298220 [2,0,0,0,0,0|1,1,0]=4 913 B13R1.82 COC(=O)c1cccc(c1Cl)OC 34a_100009866855_200000210301 [2,0,0,0,0,0|1,0,0]=3 914 B13R1.82 COC(=O)c1cccc(c1Cl)OC 7a_100009866855_200000210301 [2,0,0,0,0,0|1,0,0]=3 915 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 34a_100009866855_200025704644 [2,0,0,0,0,0|1,0,0]=3 916 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 7a_100009866855_200025704644 [2,0,0,0,0,0|1,0,0]=3 917 B13R1.82 COC(=O)c1cccc(c1F)OC 34a_100009854753_200000210301 [2,0,0,0,0,0|1,0,0]=3 918 B13R1.82 COC(=O)c1cccc(c1F)OC 7a_100009854753_200000210301 [2,0,0,0,0,0|1,0,0]=3 919 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 34a_100009854753_200025704644 [2,0,0,0,0,0|1,0,0]=3 920 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 7a_100009854753_200025704644 [2,0,0,0,0,0|1,0,0]=3 921 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_100012355674_200000210301 [2,0,0,0,0,0|1,1,0]=4 922 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_200000210301_100012355674 [2,0,0,0,0,0|1,1,0]=4 923 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_100012355674_200025704644 [2,0,0,0,0,0|1,1,0]=4 924 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355674 [2,0,0,0,0,0|1,1,0]=4 925 B13R1.82 COC(=O)c1cccc(c1N)OC 34a_100015205654_200000210301 [2,0,0,0,0,0|1,0,0]=3 926 B13R1.82 COC(=O)c1cccc(c1N)OC 7a_100015205654_200000210301 [2,0,0,0,0,0|1,0,0]=3 927 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 34a_100015205654_200025704644 [2,0,0,0,0,0|1,0,0]=3 928 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 7a_100015205654_200025704644 [2,0,0,0,0,0|1,0,0]=3 929 B13R1.82 COC(=O)c1cccc(c1N)SC 62a_100011356556_200000210301 [2,0,0,0,0,0|1,1,0]=4 930 B13R1.82 COC(=O)c1cccc(c1N)S[13CH3] 62a_100011356556_200025704644 [2,0,0,0,0,0|1,1,0]=4 931 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [2,0,0,0,0,0|0,0,0]=2 932 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [2,0,0,0,0,0|0,1,0]=3 933 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [2,0,0,0,0,0|0,1,0]=3 934 B13R1.82 COc1cccc(c1O)C(=O)CF 1458a_100000212136_100015361967 [2,0,0,0,0,0|2,0,0]=4 935 B15R1.374 CCC(=O)c1cc(c(c(c1)OC)OC)Cl 1458a_100000180162_100000210202 [1,1,0,0,0,0|1,0,0]=3 936 B15R1.374 CCC(=O)c1cc(c(c(c1)OC)OC)O 1458a_100000032013_100000210202 [1,1,0,0,0,0|1,0,0]=3 937 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 11a_106832991635_100000180162 [1,1,0,0,0,0|1,0,0]=3 938 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 1626a_100102657272_100000180162 [1,1,0,0,0,0|1,0,0]=3 939 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 240690a_100102657272_100000180162 [1,1,0,0,0,0|1,0,0]=3 940 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)Cl 527a_100102657272_100000180162 [1,1,0,0,0,0|1,0,0]=3 941 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)O 240690a_100102657272_100000032013 [1,1,0,0,0,0|1,0,0]=3 942 B15R1.374 CNC(=O)c1cc(c(c(c1)OC)OC)O 527a_100102657272_100000032013 [1,1,0,0,0,0|1,0,0]=3 943 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)Br 34a_200009811556_200000210301 [1,1,0,0,0,0|0,0,0]=2 944 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)Br 7a_200009811556_200000210301 [1,1,0,0,0,0|0,0,0]=2 945 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)F 34a_200010080224_200000210301 [1,1,0,0,0,0|0,0,0]=2 946 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)F 7a_200010080224_200000210301 [1,1,0,0,0,0|0,0,0]=2 947 B15R1.374 COC(=O)c1cc(c(c(c1)OC)OC)O 271570a_203496583355_100000727075 [1,1,0,0,0,0|0,0,0]=2 948 B15R1.374 COC(=O)c1cc(c(c(c1)OC)O[13CH3])Br 34a_200009811556_200025704644 [1,1,0,0,0,0|0,0,0]=2 949 B15R1.374 COC(=O)c1cc(c(c(c1)OC)O[13CH3])Br 7a_200009811556_200025704644 [1,1,0,0,0,0|0,0,0]=2 950 B15R1.374 COC(=O)c1cc(c(c(c1)O[13CH3])OC)F 34a_200010080224_200025704644 [1,1,0,0,0,0|0,0,0]=2 951 B15R1.374 COC(=O)c1cc(c(c(c1)O[13CH3])OC)F 7a_200010080224_200025704644 [1,1,0,0,0,0|0,0,0]=2 952 B15R1.374 COc1cc(cc(c1OC)Cl)C(=O)CF 1458a_100000180162_100015361967 [1,1,0,0,0,0|2,0,0]=4 953 B15R1.374 COc1cc(cc(c1OC)O)C(=O)CF 1458a_100000032013_100015361967 [1,1,0,0,0,0|2,0,0]=4 954 B15R1.815 C#CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000184674 [1,1,0,0,0,0|1,0,1]=4 955 B15R1.815 C=CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210623 [1,1,0,0,0,0|1,0,1]=4 956 B15R1.815 C=Cc1cc(ccc1OC)C(=O)OCC 271570a_100011290941_100012360133 [1,1,0,0,0,0|1,0,1]=4 957 B15R1.815 C=Cc1ccc(cc1OC)C(=O)OCC 271570a_100011290941_100010189661 [1,1,0,0,0,0|1,0,1]=4 958 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210303 [1,1,0,0,0,0|1,0,0]=3 959 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 34a_200010659475_200000210301 [1,1,0,0,0,0|1,0,0]=3 960 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 7a_200010659475_200000210301 [1,1,0,0,0,0|1,0,0]=3 961 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_200010659475_200025704644 [1,1,0,0,0,0|1,0,0]=3 962 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_200010659475_200025704644 [1,1,0,0,0,0|1,0,0]=3 963 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 11a_100015525214_100000211223 [1,1,0,0,0,0|1,0,0]=3 964 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 240690a_100015525214_100000211223 [1,1,0,0,0,0|1,0,0]=3 965 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 527a_100015525214_100000211223 [1,1,0,0,0,0|1,0,0]=3 966 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)OC 7a_100000038551_200000210301 [1,1,0,0,0,0|0,0,0]=2 967 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000038551_200025704644 [1,1,0,0,0,0|0,0,0]=2 968 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)SC 62a_100010189661_200000210301 [1,1,0,0,0,0|0,1,0]=3 969 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100010189661 [1,1,0,0,0,0|0,1,0]=3 970 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100010189661_200025704644 [1,1,0,0,0,0|0,1,0]=3 971 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100010189661 [1,1,0,0,0,0|0,1,0]=3 972 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)CC 62a_200000210301_200012360145 [1,1,0,0,0,0|1,1,0]=4 973 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)CC 62a_200012360145_200000210301 [1,1,0,0,0,0|1,1,0]=4 974 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)OC 62a_100012360133_200000210301 [1,1,0,0,0,0|0,1,0]=3 975 B15R1.815 CCOC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100012360133 [1,1,0,0,0,0|0,1,0]=3 976 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])CC 62a_200012360145_200025704644 [1,1,0,0,0,0|1,1,0]=4 977 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])CC 62a_200025704644_200012360145 [1,1,0,0,0,0|1,1,0]=4 978 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100012360133_200025704644 [1,1,0,0,0,0|0,1,0]=3 979 B15R1.815 CCOC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100012360133 [1,1,0,0,0,0|0,1,0]=3 980 B15R1.815 CCOC(C)c1ccc(c(c1)OC)OC 34a_100000246476_100000210202 [1,1,0,0,0,0|1,0,1]=4 981 B15R1.815 CCOC(C)c1ccc(c(c1)OC)OC 7a_100000246476_100000210202 [1,1,0,0,0,0|1,0,1]=4 982 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 2230a_106832991635_100000184214 [1,1,0,0,0,0|1,0,0]=3 983 B15R1.815 CNCC(=O)c1ccc(c(c1)OC)OC 7a_106832991635_100000184214 [1,1,0,0,0,0|1,0,0]=3 984 B15R1.815 CNNC(=O)c1ccc(c(c1)OC)OC 22a_100016993582_100000211223 [1,1,0,0,0,0|1,0,0]=3 985 B15R1.815 COC[C@H](N)c1ccc(c(c1)OC)OC 34a_100009818805_200000210301 [1,1,0,0,0,0|1,0,1]=4 986 B15R1.815 COc1ccc(cc1OC)C(=O)CC#N 1458a_100000211223_100011214920 [1,1,0,0,0,0|1,0,1]=4 987 B15R1.815 COc1ccc(cc1OC)C(=O)CCF 1458a_100000211223_100011217306 [1,1,0,0,0,0|1,0,0]=3 988 B15R1.815 COc1ccc(cc1OC)C(=O)CCO 1458a_100000211223_100000211926 [1,1,0,0,0,0|1,0,0]=3 989 B15R1.815 COc1ccc(cc1OC)C(=O)CSC 62a_100000184214_200000210301 [1,1,0,0,0,0|0,1,0]=3 990 B15R1.815 COc1ccc(cc1OC)C(=O)CS[13CH3] 62a_100000184214_200025704644 [1,1,0,0,0,0|0,1,0]=3 991 B15R1.815 COc1ccc(cc1OC)C(C)OCF 34a_100000246476_100015361967 [1,1,0,0,0,0|1,0,1]=4 992 B15R1.815 COc1ccc(cc1OC)C(C)OCF 7a_100000246476_100015361967 [1,1,0,0,0,0|1,0,1]=4 993 B15R1.815 COc1ccc(cc1OC)[C@@H](N)CO[13CH3] 34a_100009818805_200025704644 [1,1,0,0,0,0|1,0,1]=4 994 B15R1.1827 C=Cc1cc(c(cc1OC)C(=O)OC)N 271570a_100011290941_100014686525 [1,1,0,0,0,0|1,0,1]=4 995 B15R1.1827 C=Cc1cc(c(cc1OC)C)C(=O)OC 271570a_100011290941_100010236281 [1,1,0,0,0,0|1,0,1]=4 996 B15R1.1827 C=Cc1cc(c(cc1OC)F)C(=O)OC 271570a_100011290941_100015648668 [1,1,0,0,0,0|1,0,1]=4 997 B15R1.1827 C=Cc1cc(c(cc1OC)N)C(=O)OC 271570a_100011290941_100000730826 [1,1,0,0,0,0|1,0,1]=4 998 B15R1.1827 C=Cc1cc(c(cc1OC)O)C(=O)OC 271570a_100011290941_200010007936 [1,1,0,0,0,0|1,0,1]=4 999 B15R1.1827 CCC(=O)c1cc(c(cc1Br)OC)OC 1458a_100011217046_100000210202 [1,1,0,0,0,0|1,0,0]=3 1000 B15R1.1827 CCC(=O)c1cc(c(cc1C)OC)OC 1458a_100000765401_100000210202 [1,1,0,0,0,0|1,0,0]=3 1001 B15R1.1827 CCC(=O)c1cc(c(cc1Cl)OC)OC 1458a_100000692841_100000210202 [1,1,0,0,0,0|1,0,0]=3 1002 B15R1.1827 CCC(=O)c1cc(c(cc1F)OC)OC 1458a_100000687845_100000210202 [1,1,0,0,0,0|1,0,0]=3 1003 B15R1.1827 CCC(=O)c1cc(c(cc1I)OC)OC 1458a_100000749224_100000210202 [1,1,0,0,0,0|1,0,0]=3 1004 B15R1.1827 CCC(=O)c1cc(c(cc1O)OC)OC 1458a_100012177203_100000210202 [1,1,0,0,0,0|1,0,0]=3 1005 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 11a_106832991635_100011217046 [1,1,0,0,0,0|1,0,0]=3 1006 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 1626a_100102657272_100011217046 [1,1,0,0,0,0|1,0,0]=3 1007 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 240690a_100102657272_100011217046 [1,1,0,0,0,0|1,0,0]=3 1008 B15R1.1827 CNC(=O)c1cc(c(cc1Br)OC)OC 527a_100102657272_100011217046 [1,1,0,0,0,0|1,0,0]=3 1009 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 11a_106832991635_100000765401 [1,1,0,0,0,0|1,0,0]=3 1010 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 1626a_100102657272_100000765401 [1,1,0,0,0,0|1,0,0]=3 1011 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 240690a_100102657272_100000765401 [1,1,0,0,0,0|1,0,0]=3 1012 B15R1.1827 CNC(=O)c1cc(c(cc1C)OC)OC 527a_100102657272_100000765401 [1,1,0,0,0,0|1,0,0]=3 1013 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 11a_106832991635_100000692841 [1,1,0,0,0,0|1,0,0]=3 1014 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 1626a_100102657272_100000692841 [1,1,0,0,0,0|1,0,0]=3 1015 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 240690a_100102657272_100000692841 [1,1,0,0,0,0|1,0,0]=3 1016 B15R1.1827 CNC(=O)c1cc(c(cc1Cl)OC)OC 527a_100102657272_100000692841 [1,1,0,0,0,0|1,0,0]=3 1017 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 11a_106832991635_100000687845 [1,1,0,0,0,0|1,0,0]=3 1018 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 1626a_100102657272_100000687845 [1,1,0,0,0,0|1,0,0]=3 1019 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 240690a_100102657272_100000687845 [1,1,0,0,0,0|1,0,0]=3 1020 B15R1.1827 CNC(=O)c1cc(c(cc1F)OC)OC 527a_100102657272_100000687845 [1,1,0,0,0,0|1,0,0]=3 1021 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 11a_106832991635_100000749224 [1,1,0,0,0,0|1,0,0]=3 1022 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 1626a_100102657272_100000749224 [1,1,0,0,0,0|1,0,0]=3 1023 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 240690a_100102657272_100000749224 [1,1,0,0,0,0|1,0,0]=3 1024 B15R1.1827 CNC(=O)c1cc(c(cc1I)OC)OC 527a_100102657272_100000749224 [1,1,0,0,0,0|1,0,0]=3 1025 B15R1.1827 CNC(=O)c1cc(c(cc1O)OC)OC 240690a_100102657272_100012177203 [1,1,0,0,0,0|1,0,0]=3 1026 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)SC 62a_100010236281_200000210301 [1,1,0,0,0,0|0,1,0]=3 1027 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)SC 62a_200000210301_100010236281 [1,1,0,0,0,0|0,1,0]=3 1028 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)S[13CH3] 62a_100010236281_200025704644 [1,1,0,0,0,0|0,1,0]=3 1029 B15R1.1827 COC(=O)c1cc(c(cc1C)OC)S[13CH3] 62a_200025704644_100010236281 [1,1,0,0,0,0|0,1,0]=3 1030 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)SC 62a_100015648668_200000210301 [1,1,0,0,0,0|0,1,0]=3 1031 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)SC 62a_200000210301_100015648668 [1,1,0,0,0,0|0,1,0]=3 1032 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)S[13CH3] 62a_100015648668_200025704644 [1,1,0,0,0,0|0,1,0]=3 1033 B15R1.1827 COC(=O)c1cc(c(cc1F)OC)S[13CH3] 62a_200025704644_100015648668 [1,1,0,0,0,0|0,1,0]=3 1034 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)OC 34a_100009867527_200000210301 [1,1,0,0,0,0|0,0,0]=2 1035 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)OC 7a_100009867527_200000210301 [1,1,0,0,0,0|0,0,0]=2 1036 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)O[13CH3] 34a_100009867527_200025704644 [1,1,0,0,0,0|0,0,0]=2 1037 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)O[13CH3] 7a_100009867527_200025704644 [1,1,0,0,0,0|0,0,0]=2 1038 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)SC 62a_100000730826_200000210301 [1,1,0,0,0,0|0,1,0]=3 1039 B15R1.1827 COC(=O)c1cc(c(cc1N)OC)S[13CH3] 62a_100000730826_200025704644 [1,1,0,0,0,0|0,1,0]=3 1040 B15R1.1827 COC(=O)c1cc(c(cc1N)SC)OC 62a_100014686525_200000210301 [1,1,0,0,0,0|0,1,0]=3 1041 B15R1.1827 COC(=O)c1cc(c(cc1N)S[13CH3])OC 62a_100014686525_200025704644 [1,1,0,0,0,0|0,1,0]=3 1042 B15R1.1827 COC(=O)c1cc(c(cc1O)OC)OC 271570a_203496583355_100000058957 [1,1,0,0,0,0|0,0,0]=2 1043 B15R1.1827 COc1cc(c(cc1OC)C(=O)CBr)F 7a_100010235139_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)Br 1458a_100011217046_100015361967 [1,1,0,0,0,0|2,0,0]=4 1045 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)C 1458a_100000765401_100015361967 [1,1,0,0,0,0|2,0,0]=4 1046 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)Cl 1458a_100000692841_100015361967 [1,1,0,0,0,0|2,0,0]=4 1047 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)F 1458a_100000687845_100015361967 [1,1,0,0,0,0|2,0,0]=4 1048 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)I 1458a_100000749224_100015361967 [1,1,0,0,0,0|2,0,0]=4 1049 B15R1.1827 COc1cc(c(cc1OC)C(=O)CF)O 1458a_100012177203_100015361967 [1,1,0,0,0,0|2,0,0]=4 1050 B15R1.1827 COc1cc(c(cc1O[13CH3])F)C(=O)CBr 7a_100010235139_200025704644 [1,1,0,0,0,0|2,0,0]=4 1051 B15R1.3760 C=C(C)c1cc(ccc1CC)C(=O)OC 271570a_100000694244_200012360130 [1,1,0,0,0,0|2,0,0]=4 1052 B15R1.3760 C=C(C)c1cc(ccc1OC)C(=O)OC 271570a_100000694244_100000189012 [1,1,0,0,0,0|1,0,0]=3 1053 B15R1.3760 C=C(C)c1cc(cnc1OC)C(=O)OC 271570a_100000694244_100010189640 [1,1,0,0,0,0|2,0,0]=4 1054 B15R1.3760 C=C(C)c1cc(ncc1OC)C(=O)OC 271570a_100000694244_200010136175 [1,1,0,0,0,0|2,0,0]=4 1055 B15R1.3760 C=C(C)c1nc(ccc1OC)C(=O)OC 271570a_100000694244_100010205418 [1,1,0,0,0,0|2,0,0]=4 1056 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)OC 7a_100000030976_200000210301 [1,1,0,0,0,0|1,0,0]=3 1057 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000030976_200025704644 [1,1,0,0,0,0|1,0,0]=3 1058 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)SC 62a_200016005208_200000210301 [1,1,0,0,0,0|1,1,0]=4 1059 B15R1.3760 COC(=O)c1ccc(c(c1)C(=O)C)S[13CH3] 62a_200016005208_200025704644 [1,1,0,0,0,0|1,1,0]=4 1060 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)SC 62a_200000210301_200025703530 [1,1,0,0,0,0|1,1,0]=4 1061 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)SC 62a_200025703530_200000210301 [1,1,0,0,0,0|1,1,0]=4 1062 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)S[13CH3] 62a_200025703530_200025704644 [1,1,0,0,0,0|1,1,0]=4 1063 B15R1.3760 COC(=O)c1ccc(c(c1)C(C)C)S[13CH3] 62a_200025704644_200025703530 [1,1,0,0,0,0|1,1,0]=4 1064 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])OC 34a_100000188772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1065 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])OC 7a_100000188772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000188772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B15R1.3760 COC(=O)c1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000188772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1068 B15R1.4045 C=C(C)c1ccc(cc1OC)C(=O)OC 271570a_100000694244_100009816954 [1,1,0,0,0,0|1,0,0]=3 1069 B15R1.4045 C=C(C)c1ccc(nc1OC)C(=O)OC 271570a_100000694244_100010189641 [1,1,0,0,0,0|2,0,0]=4 1070 B15R1.4045 C=C(C)c1cnc(cc1OC)C(=O)OC 271570a_100000694244_100010136178 [1,1,0,0,0,0|2,0,0]=4 1071 B15R1.4045 C=C(C)c1ncc(cc1OC)C(=O)OC 271570a_100000694244_100010074909 [1,1,0,0,0,0|2,0,0]=4 1072 B15R1.4045 COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000736507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1073 B15R1.4045 COC(=O)c1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000736507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1074 B15R1.4045 COC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000736507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1075 B15R1.4045 COC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000736507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1076 B15R1.4045 COC(=O)c1ccc(c(c1)SC)C(C)C 62a_200000210301_200010236285 [1,1,0,0,0,0|1,1,0]=4 1077 B15R1.4045 COC(=O)c1ccc(c(c1)SC)C(C)C 62a_200010236285_200000210301 [1,1,0,0,0,0|1,1,0]=4 1078 B15R1.4045 COC(=O)c1ccc(c(c1)S[13CH3])C(C)C 62a_200010236285_200025704644 [1,1,0,0,0,0|1,1,0]=4 1079 B15R1.4045 COC(=O)c1ccc(c(c1)S[13CH3])C(C)C 62a_200025704644_200010236285 [1,1,0,0,0,0|1,1,0]=4 1080 B15R1.4045 COC(=O)c1cnc(c(c1)OC)N(C)C 27a_100102631434_100010074909 [1,1,0,0,0,0|2,0,0]=4 1081 B15R1.7061 C=C=Cc1ccc(cc1OC)C(=O)OC 271570a_100015277604_100009816954 [1,1,0,0,0,0|1,0,1]=4 1082 B15R1.7061 CC=Cc1ccc(cc1OC)C(=O)OC 271570a_100016259895_100009816954 [1,1,0,0,0,0|1,0,0]=3 1083 B15R1.7061 CC=Cc1ccc(nc1OC)C(=O)OC 271570a_100016259895_100010189641 [1,1,0,0,0,0|2,0,0]=4 1084 B15R1.7061 CC=Cc1cnc(cc1OC)C(=O)OC 271570a_100016259895_100010136178 [1,1,0,0,0,0|2,0,0]=4 1085 B15R1.7061 CC=Cc1ncc(cc1OC)C(=O)OC 271570a_100016259895_100010074909 [1,1,0,0,0,0|2,0,0]=4 1086 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)CNC 26a_100102657272_100000012293 [1,1,0,0,0,0|2,0,0]=4 1087 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)OCF 34a_100000012293_100015361967 [1,1,0,0,0,0|1,0,0]=3 1088 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)OCF 7a_100000012293_100015361967 [1,1,0,0,0,0|1,0,0]=3 1089 B15R1.7061 CCNc1ccc(cc1OC)C(=O)NC 2230a_100011850465_100000210202 [1,1,0,0,0,0|2,0,0]=4 1090 B15R1.7061 CCNc1ccc(cc1OC)C(=O)NC 34a_100011850465_100000210202 [1,1,0,0,0,0|2,0,0]=4 1091 B15R1.7061 CCNc1ncc(cc1OC)C(=O)OC 27a_100015525214_100010074909 [1,1,0,0,0,0|2,0,0]=4 1092 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)OC 34a_100009865136_100000210202 [1,1,0,0,0,0|2,0,0]=4 1093 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)OC 7a_100009865136_100000210202 [1,1,0,0,0,0|2,0,0]=4 1094 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 1458a_100000184834_100000210202 [1,1,0,0,0,0|1,0,0]=3 1095 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 34a_100000012293_100000210202 [1,1,0,0,0,0|1,0,0]=3 1096 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 7a_100000012293_100000210202 [1,1,0,0,0,0|1,0,0]=3 1097 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CF 1458a_100000184834_100015361967 [1,1,0,0,0,0|2,0,0]=4 1098 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 11a_106832991635_100000184834 [1,1,0,0,0,0|1,0,0]=3 1099 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 1626a_100102657272_100000184834 [1,1,0,0,0,0|1,0,0]=3 1100 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 240690a_100102657272_100000184834 [1,1,0,0,0,0|1,0,0]=3 1101 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 527a_100102657272_100000184834 [1,1,0,0,0,0|1,0,0]=3 1102 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NN 34a_100000008232_100000210202 [1,1,0,0,0,0|2,0,0]=4 1103 B15R1.7061 CCOc1ccc(cc1OC)C(=O)OC 34a_100000212147_100000210202 [1,1,0,0,0,0|0,0,0]=2 1104 B15R1.7061 CCOc1ccc(cc1OC)C(=O)OC 7a_100000212147_100000210202 [1,1,0,0,0,0|0,0,0]=2 1105 B15R1.7061 CCSc1ccc(cc1OC)C(=O)OC 62a_100000210202_100009816954 [1,1,0,0,0,0|0,1,0]=3 1106 B15R1.7061 CCSc1ccc(cc1OC)C(=O)OC 62a_100009816954_100000210202 [1,1,0,0,0,0|0,1,0]=3 1107 B15R1.7061 CCSc1ccc(nc1OC)C(=O)OC 62a_100000210202_100010189641 [1,1,0,0,0,0|1,1,0]=4 1108 B15R1.7061 CCSc1ccc(nc1OC)C(=O)OC 62a_100010189641_100000210202 [1,1,0,0,0,0|1,1,0]=4 1109 B15R1.7061 CCSc1cnc(cc1OC)C(=O)OC 62a_100000210202_100010136178 [1,1,0,0,0,0|1,1,0]=4 1110 B15R1.7061 CCSc1cnc(cc1OC)C(=O)OC 62a_100010136178_100000210202 [1,1,0,0,0,0|1,1,0]=4 1111 B15R1.7061 CCSc1ncc(cc1OC)C(=O)OC 62a_100000210202_100010074909 [1,1,0,0,0,0|1,1,0]=4 1112 B15R1.7061 CCSc1ncc(cc1OC)C(=O)OC 62a_100010136190_100000210202 [1,1,0,0,0,0|1,1,0]=4 1113 B15R1.7061 CNC(=O)c1ccc(c(c1)OC)NCF 34a_100011850465_100015361967 [1,1,0,0,0,0|2,0,0]=4 1114 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 2230a_106832991635_100000765176 [1,1,0,0,0,0|1,0,0]=3 1115 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 26a_100102657272_100000212147 [1,1,0,0,0,0|1,0,0]=3 1116 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 270004a_106832991635_100009848378 [1,1,0,0,0,0|1,0,0]=3 1117 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 34a_100102657272_100000765176 [1,1,0,0,0,0|1,0,0]=3 1118 B15R1.7061 CNCc1ccc(cc1OC)C(=O)OC 7a_106832991635_100000765176 [1,1,0,0,0,0|1,0,0]=3 1119 B15R1.7061 COC(=O)c1cc(c(cn1)SCF)OC 62a_100010136178_100015361967 [1,1,0,0,0,0|1,1,0]=4 1120 B15R1.7061 COC(=O)c1cc(c(cn1)SCF)OC 62a_100015361967_100010136178 [1,1,0,0,0,0|1,1,0]=4 1121 B15R1.7061 COC(=O)c1ccc(c(c1)C#N)OCF 34a_100009865136_100015361967 [1,1,0,0,0,0|2,0,0]=4 1122 B15R1.7061 COC(=O)c1ccc(c(c1)C#N)OCF 7a_100009865136_100015361967 [1,1,0,0,0,0|2,0,0]=4 1123 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CO[13CH3] 34a_100010744631_200025704644 [1,1,0,0,0,0|0,0,0]=2 1124 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CO[13CH3] 7a_100010744631_200025704644 [1,1,0,0,0,0|0,0,0]=2 1125 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CSC 62a_100000765176_200000210301 [1,1,0,0,0,0|0,1,0]=3 1126 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CSC 62a_200000210301_100000765176 [1,1,0,0,0,0|0,1,0]=3 1127 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CS[13CH3] 62a_100000765176_200025704644 [1,1,0,0,0,0|0,1,0]=3 1128 B15R1.7061 COC(=O)c1ccc(c(c1)OC)CS[13CH3] 62a_200025704644_100000765176 [1,1,0,0,0,0|0,1,0]=3 1129 B15R1.7061 COC(=O)c1ccc(c(c1)OC)OCF 34a_100000212147_100015361967 [1,1,0,0,0,0|0,0,0]=2 1130 B15R1.7061 COC(=O)c1ccc(c(c1)OC)OCF 7a_100000212147_100015361967 [1,1,0,0,0,0|0,0,0]=2 1131 B15R1.7061 COC(=O)c1ccc(c(c1)OC)SCF 62a_100009816954_100015361967 [1,1,0,0,0,0|0,1,0]=3 1132 B15R1.7061 COC(=O)c1ccc(c(c1)OC)SCF 62a_100015361967_100009816954 [1,1,0,0,0,0|0,1,0]=3 1133 B15R1.7061 COC(=O)c1ccc(c(n1)OC)SCF 62a_100010189641_100015361967 [1,1,0,0,0,0|1,1,0]=4 1134 B15R1.7061 COC(=O)c1ccc(c(n1)OC)SCF 62a_100015361967_100010189641 [1,1,0,0,0,0|1,1,0]=4 1135 B15R1.7061 COC(=O)c1cnc(c(c1)OC)SCF 62a_100010136190_100015361967 [1,1,0,0,0,0|1,1,0]=4 1136 B15R1.7061 COC(=O)c1cnc(c(c1)OC)SCF 62a_100015361967_100010074909 [1,1,0,0,0,0|1,1,0]=4 1137 B15R1.7061 COCc1ccc(cc1OC)C(=O)OC 34a_100010744631_200000210301 [1,1,0,0,0,0|0,0,0]=2 1138 B15R1.7061 COCc1ccc(cc1OC)C(=O)OC 34a_100138415774_100000765176 [1,1,0,0,0,0|0,0,0]=2 1139 B15R1.7061 COCc1ccc(cc1OC)C(=O)OC 7a_100010744631_200000210301 [1,1,0,0,0,0|0,0,0]=2 1140 B15R1.7061 COc1cc(ccc1OCF)C(=O)NN 34a_100000008232_100015361967 [1,1,0,0,0,0|2,0,0]=4 1141 B15R1.7680 C=C=Cc1cc(ccc1OC)C(=O)OC 271570a_100015277604_100000189012 [1,1,0,0,0,0|1,0,1]=4 1142 B15R1.7680 C=CCc1cc(ccc1OC)C(=O)OC 34a_200000028607_200000210301 [1,1,0,0,0,0|1,0,1]=4 1143 B15R1.7680 C=CCc1cc(ccc1OC)C(=O)OC 7a_200000028607_200000210301 [1,1,0,0,0,0|1,0,1]=4 1144 B15R1.7680 C=CCc1cc(ccc1O[13CH3])C(=O)OC 34a_200000028607_200025704644 [1,1,0,0,0,0|1,0,1]=4 1145 B15R1.7680 C=CCc1cc(ccc1O[13CH3])C(=O)OC 7a_200000028607_200025704644 [1,1,0,0,0,0|1,0,1]=4 1146 B15R1.7680 C=Cc1ccc(cc1COC)C(=O)OC 271570a_100011290941_200010890493 [1,1,0,0,0,0|1,0,1]=4 1147 B15R1.7680 CC=Cc1cc(ccc1CC)C(=O)OC 271570a_100016259895_200012360130 [1,1,0,0,0,0|2,0,0]=4 1148 B15R1.7680 CC=Cc1cc(ccc1OC)C(=O)OC 271570a_100016259895_100000189012 [1,1,0,0,0,0|1,0,0]=3 1149 B15R1.7680 CC=Cc1cc(cnc1OC)C(=O)OC 271570a_100016259895_100010189640 [1,1,0,0,0,0|2,0,0]=4 1150 B15R1.7680 CC=Cc1cc(ncc1OC)C(=O)OC 271570a_100016259895_200010136175 [1,1,0,0,0,0|2,0,0]=4 1151 B15R1.7680 CC=Cc1nc(ccc1OC)C(=O)OC 271570a_100016259895_100010205418 [1,1,0,0,0,0|2,0,0]=4 1152 B15R1.7680 CCNc1cc(ccc1OC)C(=O)NC 2230a_100000740754_100000210202 [1,1,0,0,0,0|2,0,0]=4 1153 B15R1.7680 CCNc1cc(ccc1OC)C(=O)NC 34a_100000740754_100000210202 [1,1,0,0,0,0|2,0,0]=4 1154 B15R1.7680 CCOc1cc(ccc1C#N)C(=O)OC 34a_100000044657_100000210202 [1,1,0,0,0,0|2,0,0]=4 1155 B15R1.7680 CCOc1cc(ccc1C#N)C(=O)OC 7a_100000044657_100000210202 [1,1,0,0,0,0|2,0,0]=4 1156 B15R1.7680 CCOc1cc(ccc1OC)C(=O)CC 1458a_100000181421_100000210202 [1,1,0,0,0,0|1,0,0]=3 1157 B15R1.7680 CCOc1cc(ccc1OC)C(=O)CF 1458a_100000181421_100015361967 [1,1,0,0,0,0|2,0,0]=4 1158 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 11a_106832991635_100000181421 [1,1,0,0,0,0|1,0,0]=3 1159 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 1626a_100102657272_100000181421 [1,1,0,0,0,0|1,0,0]=3 1160 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 240690a_100102657272_100000181421 [1,1,0,0,0,0|1,0,0]=3 1161 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NC 527a_100102657272_100000181421 [1,1,0,0,0,0|1,0,0]=3 1162 B15R1.7680 CCOc1cc(ccc1OC)C(=O)NN 34a_200012634778_100000210202 [1,1,0,0,0,0|2,0,0]=4 1163 B15R1.7680 CCOc1cc(ccc1OC)C(=O)OC 34a_100011215032_100000210202 [1,1,0,0,0,0|0,0,0]=2 1164 B15R1.7680 CCOc1cc(ccc1OC)C(=O)OC 7a_100011215032_100000210202 [1,1,0,0,0,0|0,0,0]=2 1165 B15R1.7680 CCOc1cc(cnc1OC)C(=O)OC 34a_100009867281_100000210202 [1,1,0,0,0,0|1,0,0]=3 1166 B15R1.7680 CCSc1cc(ccc1CC)C(=O)OC 62a_100000210202_200012360130 [1,1,0,0,0,0|1,1,0]=4 1167 B15R1.7680 CCSc1cc(ccc1CC)C(=O)OC 62a_200012360130_100000210202 [1,1,0,0,0,0|1,1,0]=4 1168 B15R1.7680 CCSc1cc(ccc1OC)C(=O)OC 62a_100000189012_100000210202 [1,1,0,0,0,0|0,1,0]=3 1169 B15R1.7680 CCSc1cc(ccc1OC)C(=O)OC 62a_100000210202_100000189012 [1,1,0,0,0,0|0,1,0]=3 1170 B15R1.7680 CCSc1cc(cnc1OC)C(=O)OC 62a_100000210202_100010189640 [1,1,0,0,0,0|1,1,0]=4 1171 B15R1.7680 CCSc1cc(cnc1OC)C(=O)OC 62a_100010189640_100000210202 [1,1,0,0,0,0|1,1,0]=4 1172 B15R1.7680 CCSc1cc(ncc1OC)C(=O)OC 62a_100000210202_200010136175 [1,1,0,0,0,0|1,1,0]=4 1173 B15R1.7680 CCSc1cc(ncc1OC)C(=O)OC 62a_200010136175_100000210202 [1,1,0,0,0,0|1,1,0]=4 1174 B15R1.7680 CCSc1nc(ccc1OC)C(=O)OC 62a_100000210202_100010205418 [1,1,0,0,0,0|1,1,0]=4 1175 B15R1.7680 CCSc1nc(ccc1OC)C(=O)OC 62a_100010205418_100000210202 [1,1,0,0,0,0|1,1,0]=4 1176 B15R1.7680 CCc1ccc(cc1SCF)C(=O)OC 62a_100015361967_200012360130 [1,1,0,0,0,0|1,1,0]=4 1177 B15R1.7680 CCc1ccc(cc1SCF)C(=O)OC 62a_200012360130_100015361967 [1,1,0,0,0,0|1,1,0]=4 1178 B15R1.7680 CNC(=O)c1ccc(c(c1)NCF)OC 34a_100000740754_100015361967 [1,1,0,0,0,0|2,0,0]=4 1179 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 2230a_106832991635_200010762020 [1,1,0,0,0,0|1,0,0]=3 1180 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 26a_100102657272_100011215032 [1,1,0,0,0,0|1,0,0]=3 1181 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 270004a_106832991635_100000059354 [1,1,0,0,0,0|1,0,0]=3 1182 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 34a_100102657272_200010762020 [1,1,0,0,0,0|1,0,0]=3 1183 B15R1.7680 CNCc1cc(ccc1OC)C(=O)OC 7a_106832991635_200010762020 [1,1,0,0,0,0|1,0,0]=3 1184 B15R1.7680 COC(=O)c1cc(c(cn1)OC)SCF 62a_100015361967_200010136175 [1,1,0,0,0,0|1,1,0]=4 1185 B15R1.7680 COC(=O)c1cc(c(cn1)OC)SCF 62a_200010136175_100015361967 [1,1,0,0,0,0|1,1,0]=4 1186 B15R1.7680 COC(=O)c1ccc(c(c1)CSC)OC 62a_200000210301_200010762020 [1,1,0,0,0,0|0,1,0]=3 1187 B15R1.7680 COC(=O)c1ccc(c(c1)CSC)OC 62a_200010762020_200000210301 [1,1,0,0,0,0|0,1,0]=3 1188 B15R1.7680 COC(=O)c1ccc(c(c1)CS[13CH3])OC 62a_200010762020_200025704644 [1,1,0,0,0,0|0,1,0]=3 1189 B15R1.7680 COC(=O)c1ccc(c(c1)CS[13CH3])OC 62a_200025704644_200010762020 [1,1,0,0,0,0|0,1,0]=3 1190 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)C#N 34a_100000044657_100015361967 [1,1,0,0,0,0|2,0,0]=4 1191 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)C#N 7a_100000044657_100015361967 [1,1,0,0,0,0|2,0,0]=4 1192 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)OC 34a_100011215032_100015361967 [1,1,0,0,0,0|0,0,0]=2 1193 B15R1.7680 COC(=O)c1ccc(c(c1)OCF)OC 7a_100011215032_100015361967 [1,1,0,0,0,0|0,0,0]=2 1194 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)OC 62a_100000189012_100015361967 [1,1,0,0,0,0|0,1,0]=3 1195 B15R1.7680 COC(=O)c1ccc(c(c1)SCF)OC 62a_100015361967_100000189012 [1,1,0,0,0,0|0,1,0]=3 1196 B15R1.7680 COC(=O)c1ccc(c(n1)SCF)OC 62a_100010205418_100015361967 [1,1,0,0,0,0|1,1,0]=4 1197 B15R1.7680 COC(=O)c1ccc(c(n1)SCF)OC 62a_100015361967_100010205418 [1,1,0,0,0,0|1,1,0]=4 1198 B15R1.7680 COC(=O)c1cnc(c(c1)OCF)OC 34a_100009867281_100015361967 [1,1,0,0,0,0|1,0,0]=3 1199 B15R1.7680 COC(=O)c1cnc(c(c1)SCF)OC 62a_100010189640_100015361967 [1,1,0,0,0,0|1,1,0]=4 1200 B15R1.7680 COC(=O)c1cnc(c(c1)SCF)OC 62a_100015361967_100010189640 [1,1,0,0,0,0|1,1,0]=4 1201 B15R1.7680 COCc1cc(ccc1OC)C(=O)OC 34a_100138415774_200010762020 [1,1,0,0,0,0|0,0,0]=2 1202 B15R1.7680 COCc1cc(ccc1SC)C(=O)OC 62a_200000210301_200010890493 [1,1,0,0,0,0|0,1,0]=3 1203 B15R1.7680 COCc1cc(ccc1SC)C(=O)OC 62a_200010890493_200000210301 [1,1,0,0,0,0|0,1,0]=3 1204 B15R1.7680 COCc1cc(ccc1S[13CH3])C(=O)OC 62a_200010890493_200025704644 [1,1,0,0,0,0|0,1,0]=3 1205 B15R1.7680 COCc1cc(ccc1S[13CH3])C(=O)OC 62a_200025704644_200010890493 [1,1,0,0,0,0|0,1,0]=3 1206 B15R1.7680 COc1ccc(cc1OCF)C(=O)NN 34a_200012634778_100015361967 [1,1,0,0,0,0|2,0,0]=4 1207 B15R1.12853 CNc1cc(ccc1OC)C(=O)N(C)C 2230a_100000742845_200000210301 [1,1,0,0,0,0|2,0,0]=4 1208 B15R1.12853 CNc1cc(ccc1OC)C(=O)N(C)C 34a_100000742845_200000210301 [1,1,0,0,0,0|2,0,0]=4 1209 B15R1.12853 CNc1cc(ccc1OC)C(=O)N(C)C 7a_100000742845_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B15R1.12853 COc1cc(ccc1O[13CH3])C(=O)N(C)C 34a_100009841360_200025704644 [1,1,0,0,0,0|1,0,0]=3 1211 B15R1.12853 COc1cc(ccc1O[13CH3])C(=O)N(C)C 7a_100009841360_200025704644 [1,1,0,0,0,0|1,0,0]=3 1212 B15R1.12853 COc1ccc(cc1N[13CH3])C(=O)N(C)C 2230a_100000742845_200025704644 [1,1,0,0,0,0|2,0,0]=4 1213 B15R1.12853 COc1ccc(cc1N[13CH3])C(=O)N(C)C 34a_100000742845_200025704644 [1,1,0,0,0,0|2,0,0]=4 1214 B15R1.12853 COc1ccc(cc1N[13CH3])C(=O)N(C)C 7a_100000742845_200025704644 [1,1,0,0,0,0|2,0,0]=4 1215 B15R1.12853 COc1ccc(cc1OC)C(=C(C)C)C 271570a_200000049429_100000187503 [1,1,0,0,0,0|2,0,0]=4 1216 B15R1.12853 COc1ccc(cc1OC)C(=O)C(C)C 1458a_100000211223_100000210206 [1,1,0,0,0,0|1,0,0]=3 1217 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 11a_100102631434_100000211223 [1,1,0,0,0,0|1,0,0]=3 1218 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 1626a_100102631434_100000211223 [1,1,0,0,0,0|1,0,0]=3 1219 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 240690a_100102631434_100000211223 [1,1,0,0,0,0|1,0,0]=3 1220 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 34a_100009841360_200000210301 [1,1,0,0,0,0|1,0,0]=3 1221 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 527a_100102631434_100000211223 [1,1,0,0,0,0|1,0,0]=3 1222 B15R1.12853 COc1ccc(cc1OC)C(=O)N(C)C 7a_100009841360_200000210301 [1,1,0,0,0,0|1,0,0]=3 1223 B15R1.16219 CNS(=O)(=O)c1ccc(c(c1)OC)OC 270084a_100102657272_100000212161 [1,1,0,0,0,0|2,0,0]=4 1224 B15R1.16219 CNS(=O)(=O)c1ccc(c(c1)OC)OC 274078a_100102657272_100000212161 [1,1,0,0,0,0|2,0,0]=4 1225 B15R1.16219 CNS(=O)(=O)c1ccc(c(c1)OC)OC 40a_100102657272_100010304489 [1,1,0,0,0,0|2,0,0]=4 1226 B15R1.1843 C=C(C)c1c(ccc(c1N)C(=O)C)OC 271570a_100000694244_100010236346 [1,1,0,0,0,0|2,0,0]=4 1227 B15R1.1853 C=C(C)c1ccc(c(c1OC)OC)OC 271570a_100000694244_100011320274 [1,1,0,0,0,0|1,0,0]=3 1228 B15R1.1853 COc1ccc(c(c1OC)OC)C(=O)C 1458a_100000211208_200000210301 [1,1,0,0,0,0|0,0,0]=2 1229 B15R1.1853 COc1ccc(c(c1OC)OC)C(=O)[13CH3] 1458a_100000211208_200025704644 [1,1,0,0,0,0|0,0,0]=2 1230 B15R1.14837 CC=Cc1c(ccc(c1N)C(=O)C)OC 271570a_100016259895_100010236346 [1,1,0,0,0,0|2,0,0]=4 1231 B15R1.14837 CCSc1c(ccc(c1N)C(=O)C)OC 62a_100010236346_100000210202 [1,1,0,0,0,0|1,1,0]=4 1232 B15R1.14837 COc1ccc(c(c1SCF)N)C(=O)C 62a_100010236346_100015361967 [1,1,0,0,0,0|1,1,0]=4 1233 B15R1.1875 COc1ccc(c(c1C)C)C(=O)C(C)C 1458a_200000082569_100000210206 [1,1,0,0,0,0|2,0,0]=4 1234 B15R1.1875 COc1ccc(c(c1C)C)C(=O)N(C)C 11a_100102631434_200000082569 [1,1,0,0,0,0|2,0,0]=4 1235 B15R1.1875 COc1ccc(c(c1C)C)C(=O)N(C)C 1626a_100102631434_200000082569 [1,1,0,0,0,0|2,0,0]=4 1236 B15R1.1875 COc1ccc(c(c1C)C)C(=O)N(C)C 240690a_100102631434_200000082569 [1,1,0,0,0,0|2,0,0]=4 1237 B15R1.1875 COc1ccc(c(c1C)C)C(=O)N(C)C 527a_100102631434_200000082569 [1,1,0,0,0,0|2,0,0]=4 1238 B15R1.1875 COc1ccc(c(c1O)O)C(=O)C(C)C 1458a_100000045701_100000210206 [1,1,0,0,0,0|1,0,0]=3 1239 B15R1.10149 CCC(=O)c1c(cc(c(c1Cl)O)OC)Cl 1458a_100010164187_100000210202 [1,1,0,0,0,0|2,0,0]=4 1240 B15R1.10149 CNC(=O)c1c(cc(c(c1Cl)O)OC)Cl 240690a_100102657272_100010164187 [1,1,0,0,0,0|2,0,0]=4 1241 B15R1.10559 C#CCC(=O)c1ccc(c(c1O)O)OC 1458a_100000045701_100000184674 [1,1,0,0,0,0|1,0,1]=4 1242 B15R1.10559 C=CCC(=O)c1ccc(c(c1O)O)OC 1458a_100000045701_100000210623 [1,1,0,0,0,0|1,0,1]=4 1243 B15R1.10559 CCCC(=O)c1ccc(c(c1C)C)OC 1458a_200000082569_100000210303 [1,1,0,0,0,0|2,0,0]=4 1244 B15R1.10559 CCCC(=O)c1ccc(c(c1O)O)OC 1458a_100000045701_100000210303 [1,1,0,0,0,0|1,0,0]=3 1245 B15R1.10559 CCNC(=O)c1ccc(c(c1C)C)OC 11a_100015525214_200000082569 [1,1,0,0,0,0|2,0,0]=4 1246 B15R1.10559 CCNC(=O)c1ccc(c(c1C)C)OC 240690a_100015525214_200000082569 [1,1,0,0,0,0|2,0,0]=4 1247 B15R1.10559 CCNC(=O)c1ccc(c(c1C)C)OC 527a_100015525214_200000082569 [1,1,0,0,0,0|2,0,0]=4 1248 B15R1.10559 CNNC(=O)c1ccc(c(c1C)C)OC 22a_100016993582_200000082569 [1,1,0,0,0,0|2,0,0]=4 1249 B15R1.10559 CNNC(=O)c1ccc(c(c1O)O)OC 22a_100016993582_100000045701 [1,1,0,0,0,0|1,0,0]=3 1250 B15R1.10559 COc1ccc(c(c1C)C)C(=O)CCF 1458a_200000082569_100011217306 [1,1,0,0,0,0|2,0,0]=4 1251 B15R1.10559 COc1ccc(c(c1C)C)C(=O)CCO 1458a_200000082569_100000211926 [1,1,0,0,0,0|2,0,0]=4 1252 B15R1.10559 COc1ccc(c(c1O)O)C(=O)CC#N 1458a_100000045701_100011214920 [1,1,0,0,0,0|1,0,1]=4 1253 B15R1.10559 COc1ccc(c(c1O)O)C(=O)CCF 1458a_100000045701_100011217306 [1,1,0,0,0,0|1,0,0]=3 1254 B15R1.10559 COc1ccc(c(c1O)O)C(=O)CCO 1458a_100000045701_100000211926 [1,1,0,0,0,0|1,0,0]=3 1255 B15R1.11683 C=C(C)c1ccc(c(c1C)C)C(=O)OC 271570a_100000694244_100010761469 [1,1,0,0,0,0|2,0,0]=4 1256 B15R1.11683 C=C(C)c1ccc(c(c1C)F)C(=O)OC 271570a_100000694244_100010172522 [1,1,0,0,0,0|2,0,0]=4 1257 B15R1.11683 C=C(C)c1ccc(c(c1C)N)C(=O)OC 271570a_100000694244_100000764893 [1,1,0,0,0,0|2,0,0]=4 1258 B15R1.11683 C=C(C)c1ccc(c(c1F)O)C(=O)OC 271570a_100000694244_100011092008 [1,1,0,0,0,0|2,0,0]=4 1259 B15R1.11683 C=C(C)c1ccc(c(c1O)C)C(=O)OC 271570a_100000694244_100010889012 [1,1,0,0,0,0|2,0,0]=4 1260 B15R1.11683 C=C(C)c1ccc(c(c1O)F)C(=O)OC 271570a_100000694244_100011096176 [1,1,0,0,0,0|2,0,0]=4 1261 B15R1.16575 CC=Cc1ccc(c(c1C)C)C(=O)OC 271570a_100016259895_100010761469 [1,1,0,0,0,0|2,0,0]=4 1262 B15R1.16575 CC=Cc1ccc(c(c1C)F)C(=O)OC 271570a_100016259895_100010172522 [1,1,0,0,0,0|2,0,0]=4 1263 B15R1.16575 CC=Cc1ccc(c(c1C)N)C(=O)OC 271570a_100016259895_100000764893 [1,1,0,0,0,0|2,0,0]=4 1264 B15R1.16575 CC=Cc1ccc(c(c1F)O)C(=O)OC 271570a_100016259895_100011092008 [1,1,0,0,0,0|2,0,0]=4 1265 B15R1.16575 CC=Cc1ccc(c(c1O)C)C(=O)OC 271570a_100016259895_100010889012 [1,1,0,0,0,0|2,0,0]=4 1266 B15R1.16575 CC=Cc1ccc(c(c1O)F)C(=O)OC 271570a_100016259895_100011096176 [1,1,0,0,0,0|2,0,0]=4 1267 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)OC 34a_100000101000_100000210202 [1,1,0,0,0,0|2,0,0]=4 1268 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)OC 7a_100000101000_100000210202 [1,1,0,0,0,0|2,0,0]=4 1269 B15R1.16575 CCSc1ccc(c(c1C)C)C(=O)OC 62a_100000210202_100010761469 [1,1,0,0,0,0|1,1,0]=4 1270 B15R1.16575 CCSc1ccc(c(c1C)C)C(=O)OC 62a_100010761469_100000210202 [1,1,0,0,0,0|1,1,0]=4 1271 B15R1.16575 CCSc1ccc(c(c1C)F)C(=O)OC 62a_100000210202_100010172522 [1,1,0,0,0,0|1,1,0]=4 1272 B15R1.16575 CCSc1ccc(c(c1C)F)C(=O)OC 62a_100010172522_100000210202 [1,1,0,0,0,0|1,1,0]=4 1273 B15R1.16575 CCSc1ccc(c(c1C)N)C(=O)OC 62a_100000764893_100000210202 [1,1,0,0,0,0|1,1,0]=4 1274 B15R1.16575 CCSc1ccc(c(c1O)C)C(=O)OC 62a_100000210202_100010889012 [1,1,0,0,0,0|1,1,0]=4 1275 B15R1.16575 CCSc1ccc(c(c1O)C)C(=O)OC 62a_100010889012_100000210202 [1,1,0,0,0,0|1,1,0]=4 1276 B15R1.16575 CCSc1ccc(c(c1O)F)C(=O)OC 62a_100000210202_100011096176 [1,1,0,0,0,0|1,1,0]=4 1277 B15R1.16575 CCSc1ccc(c(c1O)F)C(=O)OC 62a_100011096176_100000210202 [1,1,0,0,0,0|1,1,0]=4 1278 B15R1.16575 COC(=O)c1ccc(c(c1C)C)SCF 62a_100010761469_100015361967 [1,1,0,0,0,0|1,1,0]=4 1279 B15R1.16575 COC(=O)c1ccc(c(c1C)C)SCF 62a_100015361967_100010761469 [1,1,0,0,0,0|1,1,0]=4 1280 B15R1.16575 COC(=O)c1ccc(c(c1C)O)SCF 62a_100010889012_100015361967 [1,1,0,0,0,0|1,1,0]=4 1281 B15R1.16575 COC(=O)c1ccc(c(c1C)O)SCF 62a_100015361967_100010889012 [1,1,0,0,0,0|1,1,0]=4 1282 B15R1.16575 COC(=O)c1ccc(c(c1F)C)SCF 62a_100010172522_100015361967 [1,1,0,0,0,0|1,1,0]=4 1283 B15R1.16575 COC(=O)c1ccc(c(c1F)C)SCF 62a_100015361967_100010172522 [1,1,0,0,0,0|1,1,0]=4 1284 B15R1.16575 COC(=O)c1ccc(c(c1F)F)OCF 34a_100000101000_100015361967 [1,1,0,0,0,0|2,0,0]=4 1285 B15R1.16575 COC(=O)c1ccc(c(c1F)F)OCF 7a_100000101000_100015361967 [1,1,0,0,0,0|2,0,0]=4 1286 B15R1.16575 COC(=O)c1ccc(c(c1F)O)SCF 62a_100011096176_100015361967 [1,1,0,0,0,0|1,1,0]=4 1287 B15R1.16575 COC(=O)c1ccc(c(c1F)O)SCF 62a_100015361967_100011096176 [1,1,0,0,0,0|1,1,0]=4 1288 B15R1.16575 COC(=O)c1ccc(c(c1N)C)SCF 62a_100000764893_100015361967 [1,1,0,0,0,0|1,1,0]=4 1289 B15R1.21457 COC(=O)c1cc(c(c(c1F)F)OC)F 34a_100010189586_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B15R1.21457 COC(=O)c1cc(c(c(c1F)F)OC)F 7a_100010189586_200000210301 [1,1,0,0,0,0|2,0,0]=4 1291 B15R1.21457 COC(=O)c1cc(c(c(c1F)F)O[13CH3])F 34a_100010189586_200025704644 [1,1,0,0,0,0|2,0,0]=4 1292 B15R1.21457 COC(=O)c1cc(c(c(c1F)F)O[13CH3])F 7a_100010189586_200025704644 [1,1,0,0,0,0|2,0,0]=4 1293 B15R1.11684 C=C(C)c1c(ccc(c1C)C(=O)OC)C 271570a_100000694244_200010734123 [1,1,0,0,0,0|2,0,0]=4 1294 B15R1.20147 COC(=O)c1cc(c(c(c1F)OC)F)F 34a_200011302604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1295 B15R1.20147 COC(=O)c1cc(c(c(c1F)OC)F)F 7a_200011302604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1296 B15R1.20147 COC(=O)c1cc(c(c(c1F)O[13CH3])F)F 34a_200011302604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1297 B15R1.20147 COC(=O)c1cc(c(c(c1F)O[13CH3])F)F 7a_200011302604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1298 B15R1.27278 CC=Cc1c(ccc(c1C)C(=O)OC)C 271570a_100016259895_200010734123 [1,1,0,0,0,0|2,0,0]=4 1299 B15R1.27278 CCOc1c(ccc(c1C)C(=O)OC)Br 34a_100010889012_100000210202 [1,1,0,0,0,0|2,0,0]=4 1300 B15R1.27278 CCOc1c(ccc(c1C)C(=O)OC)Br 7a_100010889012_100000210202 [1,1,0,0,0,0|2,0,0]=4 1301 B15R1.27278 CCOc1c(ccc(c1F)C(=O)OC)Br 34a_100011096176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1302 B15R1.27278 CCOc1c(ccc(c1F)C(=O)OC)Br 7a_100011096176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1303 B15R1.27278 CCSc1c(ccc(c1C)C(=O)OC)C 62a_100000210202_200010734123 [1,1,0,0,0,0|1,1,0]=4 1304 B15R1.27278 CCSc1c(ccc(c1C)C(=O)OC)C 62a_200010734123_100000210202 [1,1,0,0,0,0|1,1,0]=4 1305 B15R1.27278 COC(=O)c1ccc(c(c1C)OCF)Br 34a_100010889012_100015361967 [1,1,0,0,0,0|2,0,0]=4 1306 B15R1.27278 COC(=O)c1ccc(c(c1C)OCF)Br 7a_100010889012_100015361967 [1,1,0,0,0,0|2,0,0]=4 1307 B15R1.27278 COC(=O)c1ccc(c(c1C)SCF)C 62a_100015361967_200010734123 [1,1,0,0,0,0|1,1,0]=4 1308 B15R1.27278 COC(=O)c1ccc(c(c1C)SCF)C 62a_200010734123_100015361967 [1,1,0,0,0,0|1,1,0]=4 1309 B15R1.27278 COC(=O)c1ccc(c(c1F)OCF)Br 34a_100011096176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1310 B15R1.27278 COC(=O)c1ccc(c(c1F)OCF)Br 7a_100011096176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1311 B15R1.13088 COc1ccc(c(c1OC)C)C=C(C)C 271570a_100102525489_100010000156 [1,1,0,0,0,0|2,0,0]=4 1312 B15R1.16568 C=C=Cc1ccc(c(c1OC)OC)OC 271570a_100015277604_100011320274 [1,1,0,0,0,0|1,0,1]=4 1313 B15R1.16568 CC=Cc1ccc(c(c1OC)OC)OC 271570a_100016259895_100011320274 [1,1,0,0,0,0|1,0,0]=3 1314 B15R1.16568 CCNc1ccc(c(c1OC)OC)OC 34a_100000751027_100000210202 [1,1,0,0,0,0|2,0,0]=4 1315 B15R1.16568 CCOc1ccc(c(c1OC)OC)OC 34a_100000074623_100000210202 [1,1,0,0,0,0|2,0,0]=4 1316 B15R1.16568 CNCc1ccc(c(c1OC)OC)OC 207a_100102657272_100000210875 [1,1,0,0,0,0|1,0,1]=4 1317 B15R1.16568 CNCc1ccc(c(c1OC)OC)OC 270004a_106832991635_100000210875 [1,1,0,0,0,0|1,0,1]=4 1318 B15R1.16568 COCc1ccc(c(c1OC)OC)OC 34a_100011216276_200000210301 [1,1,0,0,0,0|0,0,1]=3 1319 B15R1.16568 COc1ccc(c(c1OC)OC)CO[13CH3] 34a_100011216276_200025704644 [1,1,0,0,0,0|0,0,1]=3 1320 B15R1.23243 CCOCc1ccc(c(c1Cl)OC)OC 34a_100011218542_100000210202 [1,1,0,0,0,0|1,0,1]=4 1321 B15R1.23243 CCOCc1ccc(c(c1Cl)OC)OC 7a_100011218542_100000210202 [1,1,0,0,0,0|1,0,1]=4 1322 B15R1.23243 COCSc1ccc(c(c1C)OC)OC 62a_100000766300_100010000156 [1,1,0,0,0,0|1,0,1]=4 1323 B15R1.23243 COc1ccc(c(c1OC)Cl)COCF 34a_100011218542_100015361967 [1,1,0,0,0,0|1,0,1]=4 1324 B15R1.23243 COc1ccc(c(c1OC)Cl)COCF 7a_100011218542_100015361967 [1,1,0,0,0,0|1,0,1]=4 1325 B17R1.48214 C=C(C)C(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000185857_100011890039 [0,1,0,0,0,1|2,0,0]=4 1326 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)C(C)C 1458a_100000210198_100011890039 [0,1,0,0,0,1|2,0,0]=4 1327 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)C(C)C 1458a_100012648522_100000210206 [0,1,0,0,0,1|2,0,0]=4 1328 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)C(C)F 1458a_100000062450_100011890039 [0,1,0,0,0,1|2,0,0]=4 1329 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)N(C)C 11a_100102631434_100012648522 [0,1,0,0,0,1|2,0,0]=4 1330 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)N(C)C 1626a_100102631434_100012648522 [0,1,0,0,0,1|2,0,0]=4 1331 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)N(C)C 240690a_100102631434_100012648522 [0,1,0,0,0,1|2,0,0]=4 1332 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)N(C)C 527a_100102631434_100012648522 [0,1,0,0,0,1|2,0,0]=4 1333 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)[C@@H](C)O 1458a_100000717761_100011890039 [0,1,0,0,0,1|2,0,0]=4 1334 B17R1.48214 COc1ccc(c(c1OC)Cl)CC(=O)[C@H](C)O 1458a_217856618621_100011890039 [0,1,0,0,0,1|2,0,0]=4 1335 B17R1.48214 COc1ccc(c(c1OC)F)CC(=O)C(C)C 1458a_200010293705_100000210206 [0,1,0,0,0,1|2,0,0]=4 1336 B17R1.48214 COc1ccc(c(c1OC)F)CC(=O)N(C)C 11a_100102631434_200010293705 [0,1,0,0,0,1|2,0,0]=4 1337 B17R1.48214 COc1ccc(c(c1OC)F)CC(=O)N(C)C 1626a_100102631434_200010293705 [0,1,0,0,0,1|2,0,0]=4 1338 B17R1.48214 COc1ccc(c(c1OC)F)CC(=O)N(C)C 240690a_100102631434_200010293705 [0,1,0,0,0,1|2,0,0]=4 1339 B17R1.48214 COc1ccc(c(c1OC)F)CC(=O)N(C)C 527a_100102631434_200010293705 [0,1,0,0,0,1|2,0,0]=4 1340 B17R1.160507 C=CC(=O)Nc1ccc(c(c1OC)OC)OC 1626a_100000751027_100000185746 [0,1,0,0,0,1|1,0,1]=4 1341 B17R1.160507 C=CC(=O)Nc1ccc(c(c1OC)OC)OC 22a_100000751027_100000185746 [0,1,0,0,0,1|1,0,1]=4 1342 B17R1.160507 C=Cc1c(ccc(c1OC)OC)CC(=O)OC 271570a_100011290941_200039450660 [0,1,0,0,0,1|1,0,0]=3 1343 B17R1.160507 CCC(=O)Cc1ccc(c(c1OC)OC)OC 1458a_100000212332_100000210202 [0,1,0,0,0,1|1,0,0]=3 1344 B17R1.160507 CCC(=O)Nc1ccc(c(c1OC)OC)OC 11a_100000751027_100000210414 [0,1,0,0,0,1|1,0,0]=3 1345 B17R1.160507 CCC(=O)Nc1ccc(c(c1OC)OC)OC 1626a_100000751027_100000210414 [0,1,0,0,0,1|1,0,0]=3 1346 B17R1.160507 CCC(=O)Nc1ccc(c(c1OC)OC)OC 22a_100000751027_100000210414 [0,1,0,0,0,1|1,0,0]=3 1347 B17R1.160507 CCC(=O)Nc1ccc(c(c1OC)OC)OC 527a_100000751027_100000210414 [0,1,0,0,0,1|1,0,0]=3 1348 B17R1.160507 CNC(=O)Cc1ccc(c(c1OC)OC)OC 11a_106832991635_100000212332 [0,1,0,0,0,1|1,0,0]=3 1349 B17R1.160507 CNC(=O)Cc1ccc(c(c1OC)OC)OC 1626a_100102657272_100000212332 [0,1,0,0,0,1|1,0,0]=3 1350 B17R1.160507 CNC(=O)Cc1ccc(c(c1OC)OC)OC 240690a_100102657272_100000212332 [0,1,0,0,0,1|1,0,0]=3 1351 B17R1.160507 CNC(=O)Cc1ccc(c(c1OC)OC)OC 527a_100102657272_100000212332 [0,1,0,0,0,1|1,0,0]=3 1352 B17R1.160507 CNC(=O)Nc1ccc(c(c1OC)OC)OC 2430a_100000751027_100102657272 [0,1,0,0,0,1|1,0,0]=3 1353 B17R1.160507 CNC(=O)Nc1ccc(c(c1OC)OC)OC 512a_100000751027_100102657272 [0,1,0,0,0,1|1,0,0]=3 1354 B17R1.160507 COC(=O)Cc1ccc(c(c1SC)OC)OC 62a_200039450660_200000210301 [0,1,0,0,0,1|0,1,0]=3 1355 B17R1.160507 COC(=O)Cc1ccc(c(c1S[13CH3])OC)OC 62a_200039450660_200025704644 [0,1,0,0,0,1|0,1,0]=3 1356 B17R1.160507 COc1ccc(c(c1OC)OC)CC(=O)CF 1458a_100000212332_100015361967 [0,1,0,0,0,1|2,0,0]=4 1357 B17R1.160507 COc1ccc(c(c1OC)OC)NC(=O)CO 22a_100000751027_100000210174 [0,1,0,0,0,1|2,0,0]=4 1358 B17R1.160507 COc1ccc(c(c1OC)OC)NC(=O)CO 527a_100000751027_100000210174 [0,1,0,0,0,1|2,0,0]=4 1359 B17R1.173566 CC#CC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000763181_100011890039 [0,1,0,0,0,1|2,0,0]=4 1360 B17R1.173566 CC=CC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000210699_100011890039 [0,1,0,0,0,1|2,0,0]=4 1361 B17R1.173566 CCCC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000211992_100011890039 [0,1,0,0,0,1|2,0,0]=4 1362 B17R1.173566 CCCC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100012648522_100000210303 [0,1,0,0,0,1|2,0,0]=4 1363 B17R1.173566 CCCC(=O)Cc1ccc(c(c1F)OC)OC 1458a_200010293705_100000210303 [0,1,0,0,0,1|2,0,0]=4 1364 B17R1.173566 CCNC(=O)Cc1ccc(c(c1Cl)OC)OC 11a_100015525214_100012648522 [0,1,0,0,0,1|2,0,0]=4 1365 B17R1.173566 CCNC(=O)Cc1ccc(c(c1Cl)OC)OC 240690a_100015525214_100012648522 [0,1,0,0,0,1|2,0,0]=4 1366 B17R1.173566 CCNC(=O)Cc1ccc(c(c1Cl)OC)OC 527a_100015525214_100012648522 [0,1,0,0,0,1|2,0,0]=4 1367 B17R1.173566 CCNC(=O)Cc1ccc(c(c1F)OC)OC 11a_100015525214_200010293705 [0,1,0,0,0,1|2,0,0]=4 1368 B17R1.173566 CCNC(=O)Cc1ccc(c(c1F)OC)OC 240690a_100015525214_200010293705 [0,1,0,0,0,1|2,0,0]=4 1369 B17R1.173566 CCNC(=O)Cc1ccc(c(c1F)OC)OC 527a_100015525214_200010293705 [0,1,0,0,0,1|2,0,0]=4 1370 B17R1.173566 CNNC(=O)Cc1ccc(c(c1Cl)OC)OC 22a_100016993582_100012648522 [0,1,0,0,0,1|2,0,0]=4 1371 B17R1.173566 CNNC(=O)Cc1ccc(c(c1F)OC)OC 22a_100016993582_200010293705 [0,1,0,0,0,1|2,0,0]=4 1372 B17R1.173566 COCC(=O)Cc1ccc(c(c1Cl)OC)OC 1458a_100000210968_100011890039 [0,1,0,0,0,1|1,0,0]=3 1373 B17R1.173566 COc1ccc(c(c1OC)Cl)CC(=O)CCF 1458a_100012648522_100011217306 [0,1,0,0,0,1|2,0,0]=4 1374 B17R1.173566 COc1ccc(c(c1OC)Cl)CC(=O)CCO 1458a_100011216618_100011890039 [0,1,0,0,0,1|2,0,0]=4 1375 B17R1.173566 COc1ccc(c(c1OC)Cl)CC(=O)CCO 1458a_100012648522_100000211926 [0,1,0,0,0,1|2,0,0]=4 1376 B17R1.173566 COc1ccc(c(c1OC)Cl)CC(=O)CSC 1458a_100000184570_100011890039 [0,1,0,0,0,1|1,1,0]=4 1377 B17R1.173566 COc1ccc(c(c1OC)F)CC(=O)CCF 1458a_200010293705_100011217306 [0,1,0,0,0,1|2,0,0]=4 1378 B17R1.173566 COc1ccc(c(c1OC)F)CC(=O)CCO 1458a_200010293705_100000211926 [0,1,0,0,0,1|2,0,0]=4 1379 B17R1.48218 COc1ccc(c(c1OC)OC)C(=C(C)C)C 271570a_200000049429_100011320274 [0,2,0,0,0,0|2,0,0]=4 1380 B17R1.48218 COc1ccc(c(c1OC)OC)C(=O)C(C)C 1458a_100000211208_100000210206 [0,2,0,0,0,0|1,0,0]=3 1381 B17R1.48218 COc1ccc(c(c1OC)OC)C(=O)N(C)C 11a_100102631434_100000211208 [0,2,0,0,0,0|1,0,0]=3 1382 B17R1.48218 COc1ccc(c(c1OC)OC)C(=O)N(C)C 1626a_100102631434_100000211208 [0,2,0,0,0,0|1,0,0]=3 1383 B17R1.48218 COc1ccc(c(c1OC)OC)C(=O)N(C)C 240690a_100102631434_100000211208 [0,2,0,0,0,0|1,0,0]=3 1384 B17R1.48218 COc1ccc(c(c1OC)OC)C(=O)N(C)C 527a_100102631434_100000211208 [0,2,0,0,0,0|1,0,0]=3 1385 B17R1.48280 CCC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OC 1458a_100009992057_100000210202 [0,2,0,0,0,0|1,0,1]=4 1386 B17R1.48280 CNC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OC 11a_106832991635_100009992057 [0,2,0,0,0,0|1,0,1]=4 1387 B17R1.48280 CNC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OC 1626a_100102657272_100009992057 [0,2,0,0,0,0|1,0,1]=4 1388 B17R1.48280 CNC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OC 240690a_100102657272_100009992057 [0,2,0,0,0,0|1,0,1]=4 1389 B17R1.48280 CNC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OC 527a_100102657272_100009992057 [0,2,0,0,0,0|1,0,1]=4 1390 B17R1.128615 C#CCC(=O)c1ccc(c(c1OC)OC)OC 1458a_100000211208_100000184674 [0,2,0,0,0,0|1,0,1]=4 1391 B17R1.128615 C=CCC(=O)c1ccc(c(c1OC)OC)OC 1458a_100000211208_100000210623 [0,2,0,0,0,0|1,0,1]=4 1392 B17R1.128615 CCCC(=O)c1ccc(c(c1OC)OC)OC 1458a_100000211208_100000210303 [0,2,0,0,0,0|1,0,0]=3 1393 B17R1.128615 CCNC(=O)c1ccc(c(c1OC)OC)OC 11a_100015525214_100000211208 [0,2,0,0,0,0|1,0,0]=3 1394 B17R1.128615 CCNC(=O)c1ccc(c(c1OC)OC)OC 240690a_100015525214_100000211208 [0,2,0,0,0,0|1,0,0]=3 1395 B17R1.128615 CCNC(=O)c1ccc(c(c1OC)OC)OC 527a_100015525214_100000211208 [0,2,0,0,0,0|1,0,0]=3 1396 B17R1.128615 CNCC(=O)c1ccc(c(c1OC)OC)OC 2230a_106832991635_200011320270 [0,2,0,0,0,0|1,0,0]=3 1397 B17R1.128615 CNNC(=O)c1ccc(c(c1OC)OC)OC 22a_100016993582_100000211208 [0,2,0,0,0,0|1,0,0]=3 1398 B17R1.128615 COc1ccc(c(c1OC)OC)C(=O)CC#N 1458a_100000211208_100011214920 [0,2,0,0,0,0|1,0,1]=4 1399 B17R1.128615 COc1ccc(c(c1OC)OC)C(=O)CCF 1458a_100000211208_100011217306 [0,2,0,0,0,0|1,0,0]=3 1400 B17R1.128615 COc1ccc(c(c1OC)OC)C(=O)CCO 1458a_100000211208_100000211926 [0,2,0,0,0,0|1,0,0]=3 1401 B17R1.128615 COc1ccc(c(c1OC)OC)C(=O)CSC 62a_200011320270_200000210301 [0,2,0,0,0,0|0,1,0]=3 1402 B17R1.128615 COc1ccc(c(c1OC)OC)C(=O)CS[13CH3] 62a_200011320270_200025704644 [0,2,0,0,0,0|0,1,0]=3 1403 B17R1.48243 COC(=O)c1ccc(c(c1C)C=C(C)C)OC 271570a_100102525489_100010761468 [0,2,0,0,0,0|2,0,0]=4 1404 B17R1.48243 COC(=O)c1ccc(c(c1C)SC(C)C)OC 62a_100000210206_100010761468 [0,2,0,0,0,0|1,1,0]=4 1405 B17R1.48243 COC(=O)c1ccc(c(c1C)SC(C)C)OC 62a_100010761468_100000210206 [0,2,0,0,0,0|1,1,0]=4 1406 B17R1.132923 C#CCSc1c(ccc(c1C)C(=O)OC)OC 62a_100000038162_100010761468 [0,2,0,0,0,0|1,1,0]=4 1407 B17R1.132923 C=CCSc1c(ccc(c1C)C(=O)OC)OC 62a_100000210623_100010761468 [0,2,0,0,0,0|1,1,0]=4 1408 B17R1.132923 C=CCSc1c(ccc(c1C)C(=O)OC)OC 62a_100010761468_100000210623 [0,2,0,0,0,0|1,1,0]=4 1409 B17R1.132923 CCCCc1c(ccc(c1C)C(=O)OC)OC 271570a_100020621405_100010761468 [0,2,0,0,0,0|2,0,0]=4 1410 B17R1.132923 CCCSc1c(ccc(c1C)C(=O)OC)OC 62a_100000210303_100010761468 [0,2,0,0,0,0|1,1,0]=4 1411 B17R1.132923 CCCSc1c(ccc(c1C)C(=O)OC)OC 62a_100010761468_100000210303 [0,2,0,0,0,0|1,1,0]=4 1412 B17R1.132923 COC(=O)c1ccc(c(c1C)SCC#N)OC 62a_100010761468_100011215382 [0,2,0,0,0,0|1,1,0]=4 1413 B17R1.132923 COC(=O)c1ccc(c(c1C)SCC#N)OC 62a_100011215382_100010761468 [0,2,0,0,0,0|1,1,0]=4 1414 B17R1.132923 COC(=O)c1ccc(c(c1C)SCC=O)OC 62a_100010761468_200015260668 [0,2,0,0,0,0|1,1,0]=4 1415 B17R1.132923 COC(=O)c1ccc(c(c1C)SCC=O)OC 62a_200015260668_100010761468 [0,2,0,0,0,0|1,1,0]=4 1416 B17R1.132923 COC(=O)c1ccc(c(c1C)SCCF)OC 62a_100010761468_100011217306 [0,2,0,0,0,0|1,1,0]=4 1417 B17R1.132923 COC(=O)c1ccc(c(c1C)SCCF)OC 62a_100011217306_100010761468 [0,2,0,0,0,0|1,1,0]=4 1418 B17R1.132923 COC(=O)c1ccc(c(c1C)SCCO)OC 62a_100000211926_100010761468 [0,2,0,0,0,0|1,1,0]=4 1419 B17R1.132923 COC(=O)c1ccc(c(c1C)SCCO)OC 62a_100010761468_100000211926 [0,2,0,0,0,0|1,1,0]=4 1420 B17R1.132923 COC(=O)c1ccc(c(c1C)SCSC)OC 62a_100010761468_100011218213 [0,2,0,0,0,0|1,1,0]=4 1421 B17R1.132923 COC(=O)c1ccc(c(c1C)SCSC)OC 62a_100011218213_100010761468 [0,2,0,0,0,0|1,1,0]=4 1422 B17R1.132923 COCSc1c(ccc(c1C)C(=O)OC)OC 62a_100000766300_100010761468 [0,2,0,0,0,0|1,0,0]=3 1423 B17R1.132923 COCSc1c(ccc(c1C)C(=O)OC)OC 62a_100010761468_100000766300 [0,2,0,0,0,0|1,0,0]=3 1424 B17R1.48213 C=C(C)CC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000748629 [0,2,0,0,0,0|2,0,0]=4 1425 B17R1.48213 C=C(C)CC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000748629 [0,2,0,0,0,0|2,0,0]=4 1426 B17R1.48213 C=C(C)CC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000748629 [0,2,0,0,0,0|2,0,0]=4 1427 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)CC(C)C 1458a_100010284110_100000210624 [0,2,0,0,0,0|2,0,0]=4 1428 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)CC(C)O 1458a_100010284110_100011218427 [0,2,0,0,0,0|2,0,0]=4 1429 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)CC(F)F 1458a_100010284110_100011934356 [0,2,0,0,0,0|2,0,0]=4 1430 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)NC(C)C 11a_100138425928_100010284110 [0,2,0,0,0,0|2,0,0]=4 1431 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)NC(C)C 1626a_100138425928_100010284110 [0,2,0,0,0,0|2,0,0]=4 1432 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)NC(C)C 240690a_100138425928_100010284110 [0,2,0,0,0,0|2,0,0]=4 1433 B17R1.48213 COc1ccc(c(c1OC)Br)C(=O)NC(C)C 527a_100138425928_100010284110 [0,2,0,0,0,0|2,0,0]=4 1434 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)CC(C)C 1458a_100000092638_100000210624 [0,2,0,0,0,0|2,0,0]=4 1435 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)CC(C)O 1458a_100000092638_100011218427 [0,2,0,0,0,0|2,0,0]=4 1436 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)CC(F)F 1458a_100000092638_100011934356 [0,2,0,0,0,0|2,0,0]=4 1437 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)NC(C)C 11a_100138425928_100000092638 [0,2,0,0,0,0|2,0,0]=4 1438 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)NC(C)C 1626a_100138425928_100000092638 [0,2,0,0,0,0|2,0,0]=4 1439 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)NC(C)C 240690a_100138425928_100000092638 [0,2,0,0,0,0|2,0,0]=4 1440 B17R1.48213 COc1ccc(c(c1OC)C)C(=O)NC(C)C 527a_100138425928_100000092638 [0,2,0,0,0,0|2,0,0]=4 1441 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)CC(C)C 1458a_100011216413_100000210624 [0,2,0,0,0,0|2,0,0]=4 1442 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)CC(C)O 1458a_100011216413_100011218427 [0,2,0,0,0,0|2,0,0]=4 1443 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)CC(F)F 1458a_100011216413_100011934356 [0,2,0,0,0,0|2,0,0]=4 1444 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)NC(C)C 11a_100138425928_100011216413 [0,2,0,0,0,0|2,0,0]=4 1445 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)NC(C)C 1626a_100138425928_100011216413 [0,2,0,0,0,0|2,0,0]=4 1446 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)NC(C)C 240690a_100138425928_100011216413 [0,2,0,0,0,0|2,0,0]=4 1447 B17R1.48213 COc1ccc(c(c1OC)Cl)C(=O)NC(C)C 527a_100138425928_100011216413 [0,2,0,0,0,0|2,0,0]=4 1448 B17R1.48213 COc1ccc(c(c1OC)O)C(=O)CN(C)C 269982a_100102631434_100135162675 [0,2,0,0,0,0|1,0,0]=3 1449 B17R1.170810 C#CCCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000753159 [0,2,0,0,0,0|2,0,0]=4 1450 B17R1.170810 C#CCCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000753159 [0,2,0,0,0,0|2,0,0]=4 1451 B17R1.170810 C#CCCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000753159 [0,2,0,0,0,0|2,0,0]=4 1452 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Br)OC)OC 11a_100000212058_100010284110 [0,2,0,0,0,0|2,0,0]=4 1453 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Br)OC)OC 1626a_100000212058_100010284110 [0,2,0,0,0,0|2,0,0]=4 1454 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Br)OC)OC 240690a_100000212058_100010284110 [0,2,0,0,0,0|2,0,0]=4 1455 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Br)OC)OC 527a_100000212058_100010284110 [0,2,0,0,0,0|2,0,0]=4 1456 B17R1.170810 C#CCNC(=O)c1ccc(c(c1C)OC)OC 11a_100000212058_100000092638 [0,2,0,0,0,0|2,0,0]=4 1457 B17R1.170810 C#CCNC(=O)c1ccc(c(c1C)OC)OC 1626a_100000212058_100000092638 [0,2,0,0,0,0|2,0,0]=4 1458 B17R1.170810 C#CCNC(=O)c1ccc(c(c1C)OC)OC 240690a_100000212058_100000092638 [0,2,0,0,0,0|2,0,0]=4 1459 B17R1.170810 C#CCNC(=O)c1ccc(c(c1C)OC)OC 527a_100000212058_100000092638 [0,2,0,0,0,0|2,0,0]=4 1460 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Cl)OC)OC 11a_100000212058_100011216413 [0,2,0,0,0,0|2,0,0]=4 1461 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Cl)OC)OC 1626a_100000212058_100011216413 [0,2,0,0,0,0|2,0,0]=4 1462 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Cl)OC)OC 240690a_100000212058_100011216413 [0,2,0,0,0,0|2,0,0]=4 1463 B17R1.170810 C#CCNC(=O)c1ccc(c(c1Cl)OC)OC 527a_100000212058_100011216413 [0,2,0,0,0,0|2,0,0]=4 1464 B17R1.170810 C/C=C/CC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100102629194 [0,2,0,0,0,0|2,0,0]=4 1465 B17R1.170810 C/C=C/CC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100102629194 [0,2,0,0,0,0|2,0,0]=4 1466 B17R1.170810 C/C=C/CC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100102629194 [0,2,0,0,0,0|2,0,0]=4 1467 B17R1.170810 C=CCCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000754431 [0,2,0,0,0,0|2,0,0]=4 1468 B17R1.170810 C=CCCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000754431 [0,2,0,0,0,0|2,0,0]=4 1469 B17R1.170810 C=CCCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000754431 [0,2,0,0,0,0|2,0,0]=4 1470 B17R1.170810 C=CCNC(=O)c1ccc(c(c1Br)OC)OC 1626a_100020586998_100010284110 [0,2,0,0,0,0|2,0,0]=4 1471 B17R1.170810 C=CCNC(=O)c1ccc(c(c1Br)OC)OC 240690a_100020586998_100010284110 [0,2,0,0,0,0|2,0,0]=4 1472 B17R1.170810 C=CCNC(=O)c1ccc(c(c1Br)OC)OC 527a_100020586998_100010284110 [0,2,0,0,0,0|2,0,0]=4 1473 B17R1.170810 C=CCNC(=O)c1ccc(c(c1C)OC)OC 1626a_100020586998_100000092638 [0,2,0,0,0,0|2,0,0]=4 1474 B17R1.170810 C=CCNC(=O)c1ccc(c(c1C)OC)OC 240690a_100020586998_100000092638 [0,2,0,0,0,0|2,0,0]=4 1475 B17R1.170810 C=CCNC(=O)c1ccc(c(c1C)OC)OC 527a_100020586998_100000092638 [0,2,0,0,0,0|2,0,0]=4 1476 B17R1.170810 C=CCNC(=O)c1ccc(c(c1Cl)OC)OC 1626a_100020586998_100011216413 [0,2,0,0,0,0|2,0,0]=4 1477 B17R1.170810 C=CCNC(=O)c1ccc(c(c1Cl)OC)OC 240690a_100020586998_100011216413 [0,2,0,0,0,0|2,0,0]=4 1478 B17R1.170810 C=CCNC(=O)c1ccc(c(c1Cl)OC)OC 527a_100020586998_100011216413 [0,2,0,0,0,0|2,0,0]=4 1479 B17R1.170810 CC#CCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000748600 [0,2,0,0,0,0|2,0,0]=4 1480 B17R1.170810 CC#CCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000748600 [0,2,0,0,0,0|2,0,0]=4 1481 B17R1.170810 CC#CCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000748600 [0,2,0,0,0,0|2,0,0]=4 1482 B17R1.170810 CC=CCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000070051 [0,2,0,0,0,0|2,0,0]=4 1483 B17R1.170810 CC=CCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000070051 [0,2,0,0,0,0|2,0,0]=4 1484 B17R1.170810 CC=CCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000070051 [0,2,0,0,0,0|2,0,0]=4 1485 B17R1.170810 CCCCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000210211 [0,2,0,0,0,0|2,0,0]=4 1486 B17R1.170810 CCCCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000210211 [0,2,0,0,0,0|2,0,0]=4 1487 B17R1.170810 CCCCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000210211 [0,2,0,0,0,0|2,0,0]=4 1488 B17R1.170810 CCCNC(=O)c1ccc(c(c1Br)OC)OC 11a_100020643023_100010284110 [0,2,0,0,0,0|2,0,0]=4 1489 B17R1.170810 CCCNC(=O)c1ccc(c(c1Br)OC)OC 1626a_100020643023_100010284110 [0,2,0,0,0,0|2,0,0]=4 1490 B17R1.170810 CCCNC(=O)c1ccc(c(c1Br)OC)OC 240690a_100020643023_100010284110 [0,2,0,0,0,0|2,0,0]=4 1491 B17R1.170810 CCCNC(=O)c1ccc(c(c1Br)OC)OC 527a_100020643023_100010284110 [0,2,0,0,0,0|2,0,0]=4 1492 B17R1.170810 CCCNC(=O)c1ccc(c(c1C)OC)OC 11a_100020643023_100000092638 [0,2,0,0,0,0|2,0,0]=4 1493 B17R1.170810 CCCNC(=O)c1ccc(c(c1C)OC)OC 1626a_100020643023_100000092638 [0,2,0,0,0,0|2,0,0]=4 1494 B17R1.170810 CCCNC(=O)c1ccc(c(c1C)OC)OC 240690a_100020643023_100000092638 [0,2,0,0,0,0|2,0,0]=4 1495 B17R1.170810 CCCNC(=O)c1ccc(c(c1C)OC)OC 527a_100020643023_100000092638 [0,2,0,0,0,0|2,0,0]=4 1496 B17R1.170810 CCCNC(=O)c1ccc(c(c1Cl)OC)OC 11a_100020643023_100011216413 [0,2,0,0,0,0|2,0,0]=4 1497 B17R1.170810 CCCNC(=O)c1ccc(c(c1Cl)OC)OC 1626a_100020643023_100011216413 [0,2,0,0,0,0|2,0,0]=4 1498 B17R1.170810 CCCNC(=O)c1ccc(c(c1Cl)OC)OC 240690a_100020643023_100011216413 [0,2,0,0,0,0|2,0,0]=4 1499 B17R1.170810 CCCNC(=O)c1ccc(c(c1Cl)OC)OC 527a_100020643023_100011216413 [0,2,0,0,0,0|2,0,0]=4 1500 B17R1.170810 CCNN=C(C)c1ccc(c(c1O)OC)OC 4a_100000756455_100000061221 [0,2,0,0,0,0|2,0,0]=4 1501 B17R1.170810 CCNNC(=O)c1ccc(c(c1Br)OC)OC 22a_100000756455_100010284110 [0,2,0,0,0,0|2,0,0]=4 1502 B17R1.170810 CCNNC(=O)c1ccc(c(c1C)OC)OC 22a_100000756455_100000092638 [0,2,0,0,0,0|2,0,0]=4 1503 B17R1.170810 CCNNC(=O)c1ccc(c(c1Cl)OC)OC 22a_100000756455_100011216413 [0,2,0,0,0,0|2,0,0]=4 1504 B17R1.170810 COCCC(=O)c1ccc(c(c1Br)OC)OC 1458a_100010284110_100000233755 [0,2,0,0,0,0|1,0,0]=3 1505 B17R1.170810 COCCC(=O)c1ccc(c(c1C)OC)OC 1458a_100000092638_100000233755 [0,2,0,0,0,0|1,0,0]=3 1506 B17R1.170810 COCCC(=O)c1ccc(c(c1Cl)OC)OC 1458a_100011216413_100000233755 [0,2,0,0,0,0|1,0,0]=3 1507 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)CCC#N 1458a_100010284110_100011215226 [0,2,0,0,0,0|2,0,0]=4 1508 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)CCCF 1458a_100010284110_100011934791 [0,2,0,0,0,0|2,0,0]=4 1509 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)CCCO 1458a_100010284110_100011215043 [0,2,0,0,0,0|2,0,0]=4 1510 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)CCSC 1458a_100010284110_100000751147 [0,2,0,0,0,0|1,1,0]=4 1511 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCC#N 1626a_100000734998_100010284110 [0,2,0,0,0,0|2,0,0]=4 1512 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCC#N 527a_100000734998_100010284110 [0,2,0,0,0,0|2,0,0]=4 1513 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCCF 11a_100000724931_100010284110 [0,2,0,0,0,0|2,0,0]=4 1514 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCCF 1626a_100000724931_100010284110 [0,2,0,0,0,0|2,0,0]=4 1515 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCCF 240690a_100000724931_100010284110 [0,2,0,0,0,0|2,0,0]=4 1516 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCCF 527a_100000724931_100010284110 [0,2,0,0,0,0|2,0,0]=4 1517 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCCO 240690a_100000210304_100010284110 [0,2,0,0,0,0|2,0,0]=4 1518 B17R1.170810 COc1ccc(c(c1OC)Br)C(=O)NCCO 527a_100000210304_100010284110 [0,2,0,0,0,0|2,0,0]=4 1519 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)CCC#N 1458a_100000092638_100011215226 [0,2,0,0,0,0|2,0,0]=4 1520 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)CCCF 1458a_100000092638_100011934791 [0,2,0,0,0,0|2,0,0]=4 1521 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)CCCO 1458a_100000092638_100011215043 [0,2,0,0,0,0|2,0,0]=4 1522 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)CCSC 1458a_100000092638_100000751147 [0,2,0,0,0,0|1,1,0]=4 1523 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCC#N 1626a_100000734998_100000092638 [0,2,0,0,0,0|2,0,0]=4 1524 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCC#N 527a_100000734998_100000092638 [0,2,0,0,0,0|2,0,0]=4 1525 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCCF 11a_100000724931_100000092638 [0,2,0,0,0,0|2,0,0]=4 1526 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCCF 1626a_100000724931_100000092638 [0,2,0,0,0,0|2,0,0]=4 1527 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCCF 240690a_100000724931_100000092638 [0,2,0,0,0,0|2,0,0]=4 1528 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCCF 527a_100000724931_100000092638 [0,2,0,0,0,0|2,0,0]=4 1529 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCCO 240690a_100000210304_100000092638 [0,2,0,0,0,0|2,0,0]=4 1530 B17R1.170810 COc1ccc(c(c1OC)C)C(=O)NCCO 527a_100000210304_100000092638 [0,2,0,0,0,0|2,0,0]=4 1531 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)CCC#N 1458a_100011216413_100011215226 [0,2,0,0,0,0|2,0,0]=4 1532 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)CCCF 1458a_100011216413_100011934791 [0,2,0,0,0,0|2,0,0]=4 1533 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)CCCO 1458a_100011216413_100011215043 [0,2,0,0,0,0|2,0,0]=4 1534 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)CCSC 1458a_100011216413_100000751147 [0,2,0,0,0,0|1,1,0]=4 1535 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCC#N 1626a_100000734998_100011216413 [0,2,0,0,0,0|2,0,0]=4 1536 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCC#N 527a_100000734998_100011216413 [0,2,0,0,0,0|2,0,0]=4 1537 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCCF 11a_100000724931_100011216413 [0,2,0,0,0,0|2,0,0]=4 1538 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCCF 1626a_100000724931_100011216413 [0,2,0,0,0,0|2,0,0]=4 1539 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCCF 240690a_100000724931_100011216413 [0,2,0,0,0,0|2,0,0]=4 1540 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCCF 527a_100000724931_100011216413 [0,2,0,0,0,0|2,0,0]=4 1541 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCCO 240690a_100000210304_100011216413 [0,2,0,0,0,0|2,0,0]=4 1542 B17R1.170810 COc1ccc(c(c1OC)Cl)C(=O)NCCO 527a_100000210304_100011216413 [0,2,0,0,0,0|2,0,0]=4 1543 B15R1.9232 CC=Cc1cc(ccc1C(=O)OC)OC 271570a_100016259895_100009815674 [0,0,1,1,0,0|2,0,0]=4 1544 B15R1.9232 CC=Cc1nc(ccc1C(=O)OC)OC 271570a_100016259895_100010136187 [0,0,1,1,0,0|2,0,0]=4 1545 B15R1.9232 COCc1cc(ccc1C(=O)OC)OC 34a_100138415774_100010138730 [0,0,1,1,0,0|1,0,1]=4 1546 B15R1.27362 CC=Cc1cc(c(cc1C)O)C(=O)OC 271570a_100016259895_100010233952 [0,0,1,1,0,0|2,0,0]=4 1547 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)OC 34a_100000074908_200000210301 [0,0,1,1,0,0|1,0,1]=4 1548 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)OC 34a_100009869222_200000210301 [0,0,1,1,0,0|1,0,1]=4 1549 B15R1.3769 COC(=O)Cc1ccc(c(c1)OC)O[13CH3] 34a_100000074908_200025704644 [0,0,1,1,0,0|1,0,1]=4 1550 B15R1.3769 COC(=O)Cc1ccc(c(c1)O[13CH3])OC 34a_100009869222_200025704644 [0,0,1,1,0,0|1,0,1]=4 1551 B15R2.1601 CCC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_100000210202 [1,0,0,1,0,0|2,0,0]=4 1552 B15R2.1601 CCC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_100000210202 [1,0,0,1,0,0|1,0,0]=3 1553 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 11a_106832991635_100011398765 [1,0,0,1,0,0|2,0,0]=4 1554 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 1626a_100102657272_100011398765 [1,0,0,1,0,0|2,0,0]=4 1555 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 240690a_100102657272_100011398765 [1,0,0,1,0,0|2,0,0]=4 1556 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 527a_100102657272_100011398765 [1,0,0,1,0,0|2,0,0]=4 1557 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 11a_106832991635_100000182659 [1,0,0,1,0,0|1,0,0]=3 1558 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 1626a_100102657272_100000182659 [1,0,0,1,0,0|1,0,0]=3 1559 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 240690a_100102657272_100000182659 [1,0,0,1,0,0|1,0,0]=3 1560 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 527a_100102657272_100000182659 [1,0,0,1,0,0|1,0,0]=3 1561 B15R2.1601 O=C(CF)c1ccc2c(c1)OCCO2 1458a_100000182659_100015361967 [1,0,0,1,0,0|2,0,0]=4 1562 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200000210301_200010010916 [1,0,0,1,0,0|1,1,0]=4 1563 B15R2.21574 COc1cc2c(cc1SC)C(=O)CC2 62a_200010010916_200000210301 [1,0,0,1,0,0|1,1,0]=4 1564 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_100010233615_200000210301 [1,0,0,1,0,0|1,1,0]=4 1565 B15R2.21574 COc1cc2c(cc1SC)CCC2=O 62a_200000210301_100010233615 [1,0,0,1,0,0|1,1,0]=4 1566 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200010010916_200025704644 [1,0,0,1,0,0|1,1,0]=4 1567 B15R2.21574 COc1cc2c(cc1S[13CH3])C(=O)CC2 62a_200025704644_200010010916 [1,0,0,1,0,0|1,1,0]=4 1568 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_100010233615_200025704644 [1,0,0,1,0,0|1,1,0]=4 1569 B15R2.21574 COc1cc2c(cc1S[13CH3])CCC2=O 62a_200025704644_100010233615 [1,0,0,1,0,0|1,1,0]=4 1570 B15R2.22325 COc1ccc2c(c1SC)CCC2=O 62a_100010212354_200000210301 [1,0,0,1,0,0|1,1,0]=4 1571 B15R2.22325 COc1ccc2c(c1SC)CCC2=O 62a_200000210301_100010212354 [1,0,0,1,0,0|1,1,0]=4 1572 B15R2.22325 COc1ccc2c(c1S[13CH3])CCC2=O 62a_100010212354_200025704644 [1,0,0,1,0,0|1,1,0]=4 1573 B15R2.22325 COc1ccc2c(c1S[13CH3])CCC2=O 62a_200025704644_100010212354 [1,0,0,1,0,0|1,1,0]=4 1574 B15R2.627 C=C(C)c1ccc2c(c1C)OCCO2 271570a_100000694244_100010072848 [1,0,0,1,0,0|2,0,0]=4 1575 B15R2.22219 C=Cc1ccc(c2c1OCO2)C(=O)C 271570a_100011290941_100021123059 [1,0,0,1,0,0|1,0,1]=4 1576 B15R2.22219 CC(=O)c1ccc(c2c1CCC2)O[13CH3] 34a_100010637159_200025704644 [1,0,0,1,0,0|2,0,0]=4 1577 B15R2.22219 CC(=O)c1ccc(c2c1CCC2)O[13CH3] 7a_100010637159_200025704644 [1,0,0,1,0,0|2,0,0]=4 1578 B15R2.22219 CC(=O)c1ccc(c2c1OCO2)S[13CH3] 62a_100021123059_200025704644 [1,0,0,1,0,0|0,1,0]=3 1579 B15R2.22219 COc1ccc(c2c1CCC2)C(=O)C 34a_100010637159_200000210301 [1,0,0,1,0,0|2,0,0]=4 1580 B15R2.22219 COc1ccc(c2c1CCC2)C(=O)C 7a_100010637159_200000210301 [1,0,0,1,0,0|2,0,0]=4 1581 B15R2.22219 CSc1ccc(c2c1OCO2)C(=O)C 62a_100021123059_200000210301 [1,0,0,1,0,0|0,1,0]=3 1582 B15R2.1586 CCC(=O)c1ccc2c(c1C)OCO2 1458a_100009908537_100000210202 [1,0,0,1,0,0|2,0,0]=4 1583 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 11a_106832991635_100009908537 [1,0,0,1,0,0|2,0,0]=4 1584 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 1626a_100102657272_100009908537 [1,0,0,1,0,0|2,0,0]=4 1585 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 240690a_100102657272_100009908537 [1,0,0,1,0,0|2,0,0]=4 1586 B15R2.1586 CNC(=O)c1ccc2c(c1C)OCO2 527a_100102657272_100009908537 [1,0,0,1,0,0|2,0,0]=4 1587 B15R2.22378 COc1ccc2c(c1C)OCCC2=O 34a_100000113194_200000210301 [1,0,0,1,0,0|1,0,0]=3 1588 B15R2.22378 COc1ccc2c(c1C)OCCC2=O 7a_100000113194_200000210301 [1,0,0,1,0,0|1,0,0]=3 1589 B15R2.22378 Cc1c(ccc2c1OCCC2=O)O[13CH3] 34a_100000113194_200025704644 [1,0,0,1,0,0|1,0,0]=3 1590 B15R2.22378 Cc1c(ccc2c1OCCC2=O)O[13CH3] 7a_100000113194_200025704644 [1,0,0,1,0,0|1,0,0]=3 1591 B15R2.5778 COc1c(ccc2c1CCCC2=O)C 34a_100009872817_200000210301 [1,0,0,1,0,0|2,0,0]=4 1592 B15R2.5778 COc1c(ccc2c1CCCC2=O)C 7a_100009872817_200000210301 [1,0,0,1,0,0|2,0,0]=4 1593 B15R2.5778 Cc1ccc2c(c1O[13CH3])CCCC2=O 34a_100009872817_200025704644 [1,0,0,1,0,0|2,0,0]=4 1594 B15R2.5778 Cc1ccc2c(c1O[13CH3])CCCC2=O 7a_100009872817_200025704644 [1,0,0,1,0,0|2,0,0]=4 1595 B15R2.2220 CC=Cc1ccc2c(c1C)OCCO2 271570a_100016259895_100010072848 [1,0,0,1,0,0|2,0,0]=4 1596 B17R2.12316 COc1ccc(c(c1OC)C)C2=CCOC2 271570a_100009872500_100010000156 [0,1,0,1,0,0|2,0,0]=4 1597 B17R2.12316 COc1ccc(c(c1OC)C)C2=COCC2 271570a_100000118173_100010000156 [0,1,0,1,0,0|2,0,0]=4 1598 B17R2.73360 COC(=O)c1ccc(c(c1C)C2CC2)OC 271570a_100011220607_100010761468 [0,1,0,1,0,0|2,0,0]=4 1599 B17R2.356959 COC(=O)c1cc(c2c(c1O)CCCC2)O 271570a_203496583355_100010113800 [0,1,0,1,0,0|2,0,0]=4 1600 B13R1.2067 COC(=O)c1cc(c(s1)OC)SC 62a_100134754287_200000210301 [1,0,0,0,1,0|1,1,0]=4 1601 B13R1.2067 COC(=O)c1cc(c(s1)OC)SC 62a_200000210301_100134754287 [1,0,0,0,1,0|1,1,0]=4 1602 B13R1.2067 COC(=O)c1cc(c(s1)OC)S[13CH3] 62a_100134754287_200025704644 [1,0,0,0,1,0|1,1,0]=4 1603 B13R1.2067 COC(=O)c1cc(c(s1)OC)S[13CH3] 62a_200025704644_100134754287 [1,0,0,0,1,0|1,1,0]=4 1604 B13R1.3099 COC(=O)c1csc(c1OC)SC 62a_200000210301_100010277438 [1,0,0,0,1,0|1,1,0]=4 1605 B13R1.3099 COC(=O)c1csc(c1OC)S[13CH3] 62a_200025704644_100010277438 [1,0,0,0,1,0|1,1,0]=4 1606 B15R1.1846 CCC(=O)Nc1ccc(c(c1C)C)OC 11a_100025755787_100000210414 [1,0,0,0,0,1|2,0,0]=4 1607 B15R1.1846 CCC(=O)Nc1ccc(c(c1C)C)OC 1626a_100025755787_100000210414 [1,0,0,0,0,1|2,0,0]=4 1608 B15R1.1846 CCC(=O)Nc1ccc(c(c1C)C)OC 22a_100025755787_100000210414 [1,0,0,0,0,1|2,0,0]=4 1609 B15R1.1846 CCC(=O)Nc1ccc(c(c1C)C)OC 527a_100025755787_100000210414 [1,0,0,0,0,1|2,0,0]=4 1610 B15R1.1846 CNC(=O)Nc1ccc(c(c1C)C)OC 2430a_100025755787_100102657272 [1,0,0,0,0,1|2,0,0]=4 1611 B15R1.695 C=Cc1cc(c(c(c1)C(=O)OC)O)OC 271570a_100011290941_100010164242 [0,0,0,0,1,1|1,0,1]=4 1612 B17R1.48215 CCC(=O)C=Cc1ccc(c(c1Cl)OC)OC 1458a_200020587463_100000210202 [0,0,0,0,0,2|2,0,0]=4 1613 B17R1.48215 CCC(=O)C=Cc1ccc(c(c1I)OC)OC 6a_100010191550_100000211110 [0,0,0,0,0,2|2,0,0]=4 1614 B17R1.48215 CCC(=O)CCc1ccc(c(c1C)OC)OC 1458a_200010008019_100000210202 [0,0,0,0,0,2|2,0,0]=4 1615 B17R1.48215 CCC(=O)CSc1ccc(c(c1C)OC)OC 62a_100000747405_100010000156 [0,0,0,0,0,2|2,0,0]=4 1616 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 11a_102515433231_100000210414 [0,0,0,0,0,2|2,0,0]=4 1617 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 1626a_102515433231_100000210414 [0,0,0,0,0,2|2,0,0]=4 1618 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 240690a_102515433231_100000210414 [0,0,0,0,0,2|2,0,0]=4 1619 B17R1.48215 CCC(=O)NCc1ccc(c(c1Cl)OC)OC 527a_102515433231_100000210414 [0,0,0,0,0,2|2,0,0]=4 1620 B17R1.48215 CNC(=O)C=Cc1ccc(c(c1Cl)OC)OC 11a_106832991635_200020587463 [0,0,0,0,0,2|2,0,0]=4 1621 B17R1.48215 CNC(=O)C=Cc1ccc(c(c1Cl)OC)OC 1626a_100102657272_200020587463 [0,0,0,0,0,2|2,0,0]=4 1622 B17R1.48215 CNC(=O)C=Cc1ccc(c(c1Cl)OC)OC 240690a_100102657272_200020587463 [0,0,0,0,0,2|2,0,0]=4 1623 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 11a_106832991635_200010008019 [0,0,0,0,0,2|2,0,0]=4 1624 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 1626a_100102657272_200010008019 [0,0,0,0,0,2|2,0,0]=4 1625 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 240690a_100102657272_200010008019 [0,0,0,0,0,2|2,0,0]=4 1626 B17R1.48215 CNC(=O)CCc1ccc(c(c1C)OC)OC 527a_100102657272_200010008019 [0,0,0,0,0,2|2,0,0]=4 1627 B17R1.48215 CNC(=O)CSc1ccc(c(c1C)OC)OC 62a_100000183359_100010000156 [0,0,0,0,0,2|2,0,0]=4 1628 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 2708a_100102657272_102515433231 [0,0,0,0,0,2|2,0,0]=4 1629 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 2708a_102515433231_106832991635 [0,0,0,0,0,2|2,0,0]=4 1630 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 273464a_100102657272_102515433231 [0,0,0,0,0,2|2,0,0]=4 1631 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 273464a_102515433231_100102657272 [0,0,0,0,0,2|2,0,0]=4 1632 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 512a_102515433231_100102657272 [0,0,0,0,0,2|2,0,0]=4 1633 B17R1.48215 CNC(=O)NCc1ccc(c(c1Cl)OC)OC 512a_106832991638_102515433231 [0,0,0,0,0,2|2,0,0]=4 1634 B17R1.48215 COC(=O)CSc1ccc(c(c1C)OC)OC 62a_100000747449_100010000156 [0,0,0,0,0,2|1,0,0]=3