0 B15R1.1788 CCc1cc(c(cc1C)OC)OC(C)C 34a_200010661296_100000210206 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.1788 CCc1cc(c(cc1C)OC)OC(C)C 7a_200010661296_100000210206 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.1788 COc1cc(c(cc1Br)OC)C=C(C)C 271570a_100102525489_100013799044 [0,0,0,0,0,0|1,0,2]=3 3 B15R1.1788 COc1cc(c(cc1Br)OC)CN(C)C 270004a_100102631434_100000188581 [0,0,0,0,0,0|2,0,0]=2 4 B15R1.1788 COc1cc(c(cc1Br)OC)OC(C)C 34a_100009816818_100000210206 [0,0,0,0,0,0|2,0,0]=2 5 B15R1.1788 COc1cc(c(cc1Br)OC)OC(C)C 7a_100009816818_100000210206 [0,0,0,0,0,0|2,0,0]=2 6 B15R1.1788 COc1cc(c(cc1Br)OC)SC(C)C 62a_100000210206_100013799044 [0,0,0,0,0,0|2,0,0]=2 7 B15R1.1788 COc1cc(c(cc1Br)OC)SC(C)C 62a_100013799044_100000210206 [0,0,0,0,0,0|2,0,0]=2 8 B15R1.1788 COc1cc(c(cc1C)OC)C=C(C)C 271570a_100102525489_100000039368 [0,0,0,0,0,0|2,0,2]=4 9 B15R1.1788 COc1cc(c(cc1C)OC)CN(C)C 270004a_100102631434_100000079178 [0,0,0,0,0,0|3,0,0]=3 10 B15R1.1788 COc1cc(c(cc1C)OC)SC(C)C 62a_100000039368_100000210206 [0,0,0,0,0,0|3,0,0]=3 11 B15R1.1788 COc1cc(c(cc1C)OC)SC(C)C 62a_100000210206_100000039368 [0,0,0,0,0,0|3,0,0]=3 12 B15R1.1788 COc1cc(c(cc1Cl)OC)C=C(C)C 271570a_100102525489_100000023288 [0,0,0,0,0,0|1,1,2]=4 13 B15R1.1788 COc1cc(c(cc1Cl)OC)CN(C)C 270004a_100102631434_100010168916 [0,0,0,0,0,0|2,1,0]=3 14 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 11a_100000179761_100015343762 [0,0,0,0,0,0|2,1,1]=4 15 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 1626a_100000179761_100015343762 [0,0,0,0,0,0|2,1,1]=4 16 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 22a_100000179761_100000070787 [0,0,0,0,0,0|2,1,1]=4 17 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(C)C 2230a_100000179761_100000210206 [0,0,0,0,0,0|2,1,0]=3 18 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(C)C 34a_100000179761_100000210206 [0,0,0,0,0,0|2,1,0]=3 19 B15R1.1788 COc1cc(c(cc1Cl)OC)SC(C)C 62a_100000023288_100000210206 [0,0,0,0,0,0|2,1,0]=3 20 B15R1.1788 COc1cc(c(cc1Cl)OC)SC(C)C 62a_100000210206_100000023288 [0,0,0,0,0,0|2,1,0]=3 21 B15R1.1788 COc1cc(c(cc1I)OC)CN(C)C 270004a_100102631434_200010262236 [0,0,0,0,0,0|2,1,0]=3 22 B15R1.1788 COc1cc(c(cc1O)OC)C=C(C)C 271570a_100102525489_100009816818 [0,0,0,0,0,0|2,0,2]=4 23 B14R1.881 COc1cc(c(cc1Br)Br)CN(C)C 270004a_100102631434_100010996155 [1,0,0,0,0,0|3,0,0]=4 24 B14R1.881 COc1cc(c(cc1Br)Br)NC(C)C 34a_100000718616_100000210206 [1,0,0,0,0,0|3,0,0]=4 25 B14R1.881 COc1cc(c(cc1Br)Br)NC(C)C 7a_100000718616_100000210206 [1,0,0,0,0,0|3,0,0]=4 26 B14R1.881 COc1cc(c(cc1Br)Br)SC(C)C 62a_100000210206_200014006352 [1,0,0,0,0,0|3,0,0]=4 27 B14R1.881 COc1cc(c(cc1Br)Br)SC(C)C 62a_200014006352_100000210206 [1,0,0,0,0,0|3,0,0]=4 28 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 11a_100010232211_100015343762 [1,0,0,0,0,0|2,0,1]=4 29 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 1626a_100010232211_100015343762 [1,0,0,0,0,0|2,0,1]=4 30 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 22a_100010232211_100000070787 [1,0,0,0,0,0|2,0,1]=4 31 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 527a_100010232211_100103153847 [1,0,0,0,0,0|2,0,1]=4 32 B14R1.881 COc1cc(c(cc1Br)C)NC(C)C 34a_100010232211_100000210206 [1,0,0,0,0,0|2,0,0]=3 33 B14R1.881 COc1cc(c(cc1Br)C)NC(C)C 7a_100010232211_100000210206 [1,0,0,0,0,0|2,0,0]=3 34 B14R1.881 COc1cc(c(cc1Br)Cl)NC(C)C 34a_100012361290_100000210206 [1,0,0,0,0,0|3,0,0]=4 35 B14R1.881 COc1cc(c(cc1Br)Cl)NC(C)C 7a_100012361290_100000210206 [1,0,0,0,0,0|3,0,0]=4 36 B14R1.881 COc1cc(c(cc1Br)F)CN(C)C 270004a_100102631434_100000695681 [1,0,0,0,0,0|3,0,0]=4 37 B14R1.881 COc1cc(c(cc1Cl)C)NC(C)C 2230a_100009858536_100000210206 [1,0,0,0,0,0|2,1,0]=4 38 B14R1.881 COc1cc(c(cc1Cl)C)NC(C)C 34a_100009858536_100000210206 [1,0,0,0,0,0|2,1,0]=4 39 B14R1.881 COc1cc(c(cc1Cl)C)NC(C)C 7a_100009858536_100000210206 [1,0,0,0,0,0|2,1,0]=4 40 B14R1.881 COc1cc(c(cc1F)C)SC(C)C 62a_100000210206_100011009880 [1,0,0,0,0,0|2,1,0]=4 41 B14R1.881 COc1cc(c(cc1F)C)SC(C)C 62a_100011009880_100000210206 [1,0,0,0,0,0|2,1,0]=4 42 B14R1.881 COc1cc(c(cc1N)C)SC(C)C 62a_100000210206_100010141321 [1,0,0,0,0,0|3,0,0]=4 43 B14R1.881 COc1cc(c(cc1N)C)SC(C)C 62a_100010141321_100000210206 [1,0,0,0,0,0|3,0,0]=4 44 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Br 11a_100010141321_100015343762 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Br 1626a_100010141321_100015343762 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Br 22a_100010141321_100000070787 [1,0,0,0,0,0|2,0,1]=4 47 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Br 2230a_100010141321_100000210206 [1,0,0,0,0,0|2,0,0]=3 48 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Br 34a_100010141321_100000210206 [1,0,0,0,0,0|2,0,0]=3 49 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Cl 2230a_100000211396_100000210206 [1,0,0,0,0,0|2,1,0]=4 50 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Cl 34a_100000211396_100000210206 [1,0,0,0,0,0|2,1,0]=4 51 B14R1.2295 COc1cc(c(cc1NC(C)C)Cl)Br 2230a_100010212225_100000210206 [1,0,0,0,0,0|3,0,0]=4 52 B14R1.2295 COc1cc(c(cc1NC(C)C)Cl)Br 34a_100010212225_100000210206 [1,0,0,0,0,0|3,0,0]=4 53 B14R1.2295 COc1cc(c(cc1NC(C)C)F)Br 2230a_100012766639_100000210206 [1,0,0,0,0,0|3,0,0]=4 54 B14R1.2295 COc1cc(c(cc1NC(C)C)F)Br 34a_100012766639_100000210206 [1,0,0,0,0,0|3,0,0]=4 55 B14R1.2295 COc1cc(c(cc1OC(C)C)F)Br 34a_100010189133_100000210206 [1,0,0,0,0,0|3,0,0]=4 56 B14R1.2295 COc1cc(c(cc1OC(C)C)F)Br 7a_100010189133_100000210206 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.2295 COc1cc(c(cc1SC(C)C)C)F 62a_100000210206_100010201977 [1,0,0,0,0,0|2,1,0]=4 58 B14R1.2295 COc1cc(c(cc1SC(C)C)C)F 62a_100010201977_100000210206 [1,0,0,0,0,0|2,1,0]=4 59 B14R1.2295 COc1cc(c(cc1SC(C)C)C)N 62a_100000210206_100010232211 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.2295 COc1cc(c(cc1SC(C)C)C)N 62a_100010232211_100000210206 [1,0,0,0,0,0|3,0,0]=4 61 B14R1.3723 CCc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_200000117280 [1,0,0,0,0,0|3,0,0]=4 62 B14R1.3723 CCc1ccc(c(c1)NC(C)C)OC 2230a_100012035449_100000210206 [1,0,0,0,0,0|3,0,0]=4 63 B14R1.3723 CCc1ccc(c(c1)NC(C)C)OC 34a_100012035449_100000210206 [1,0,0,0,0,0|3,0,0]=4 64 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 34a_100009844796_100000210206 [1,0,0,0,0,0|3,0,0]=4 65 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 7a_100009844796_100000210206 [1,0,0,0,0,0|3,0,0]=4 66 B14R1.3723 CCc1ccc(c(c1)SC(C)C)OC 62a_100000210206_100010062400 [1,0,0,0,0,0|3,0,0]=4 67 B14R1.3723 CCc1ccc(c(c1)SC(C)C)OC 62a_100010062400_100000210206 [1,0,0,0,0,0|3,0,0]=4 68 B14R1.3723 CNc1ccc(c(c1)SC(C)C)OC 62a_100000210206_114948341033 [1,0,0,0,0,0|3,0,0]=4 69 B14R1.3723 CNc1ccc(c(c1)SC(C)C)OC 62a_114948341033_100000210206 [1,0,0,0,0,0|3,0,0]=4 70 B14R1.3723 COc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_100011215452 [1,0,0,0,0,0|1,0,2]=4 71 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_100000205131 [1,0,0,0,0,0|1,0,1]=3 72 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000212042_200000210301 [1,0,0,0,0,0|1,0,1]=3 73 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 34a_200000075431_200000210301 [1,0,0,0,0,0|1,0,1]=3 74 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 7a_200000075431_200000210301 [1,0,0,0,0,0|1,0,1]=3 75 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 34a_200000075431_200025704644 [1,0,0,0,0,0|1,0,1]=3 76 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 7a_200000075431_200025704644 [1,0,0,0,0,0|1,0,1]=3 77 B14R1.3723 COc1ccc(c(c1)CC(=O)[13CH3])OC 1458a_100000212042_200025704644 [1,0,0,0,0,0|1,0,1]=3 78 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 269982a_100102631434_100011233847 [1,0,0,0,0,0|2,0,0]=3 79 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_100000170336 [1,0,0,0,0,0|2,0,0]=3 80 B14R1.3723 COc1ccc(c(c1)CN(C)C)SC 62a_100000727244_200000210301 [1,0,0,0,0,0|2,1,0]=4 81 B14R1.3723 COc1ccc(c(c1)CN(C)C)SC 62a_200000210301_100000727244 [1,0,0,0,0,0|2,1,0]=4 82 B14R1.3723 COc1ccc(c(c1)CN(C)C)S[13CH3] 62a_100000727244_200025704644 [1,0,0,0,0,0|2,1,0]=4 83 B14R1.3723 COc1ccc(c(c1)CN(C)C)S[13CH3] 62a_200025704644_100000727244 [1,0,0,0,0,0|2,1,0]=4 84 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 11a_100000184736_100015343762 [1,0,0,0,0,0|2,0,1]=4 85 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 1626a_100000184736_100015343762 [1,0,0,0,0,0|2,0,1]=4 86 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 22a_100000184736_100000070787 [1,0,0,0,0,0|2,0,1]=4 87 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 2230a_100000184736_100000210206 [1,0,0,0,0,0|2,0,0]=3 88 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 34a_100000184736_100000210206 [1,0,0,0,0,0|2,0,0]=3 89 B14R1.3723 COc1ccc(c(c1)OC(C)C)OC 34a_100000074795_100000210206 [1,0,0,0,0,0|2,0,0]=3 90 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100000210206_100011215452 [1,0,0,0,0,0|2,0,0]=3 91 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100011215452_100000210206 [1,0,0,0,0,0|2,0,0]=3 92 B14R1.3723 COc1ccc(cc1CC(=O)C)SC 62a_200011493461_200000210301 [1,0,0,0,0,0|1,1,1]=4 93 B14R1.3723 COc1ccc(cc1CC(=O)C)S[13CH3] 62a_200011493461_200025704644 [1,0,0,0,0,0|1,1,1]=4 94 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200000210301_200010232110 [1,0,0,0,0,0|2,1,0]=4 95 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200010232110_200000210301 [1,0,0,0,0,0|2,1,0]=4 96 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200010232110_200025704644 [1,0,0,0,0,0|2,1,0]=4 97 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200025704644_200010232110 [1,0,0,0,0,0|2,1,0]=4 98 B14R1.15069 C=C=Cc1cc(c(cc1OC)Br)OC 271570a_100015277604_100013799044 [1,0,0,0,0,0|0,0,3]=4 99 B14R1.15069 CC=Cc1cc(c(cc1OC)Br)OC 271570a_100016259895_100013799044 [1,0,0,0,0,0|0,0,2]=3 100 B14R1.15069 CC=Cc1cc(c(cc1OC)C)OC 271570a_100016259895_100000039368 [1,0,0,0,0,0|1,0,2]=4 101 B14R1.15069 CC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016259895_100000023288 [1,0,0,0,0,0|0,1,2]=4 102 B14R1.15069 CC=Cc1cc(c(cc1OC)O)OC 271570a_100016259895_100009816818 [1,0,0,0,0,0|1,0,2]=4 103 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210202 [1,0,0,0,0,0|1,1,0]=3 104 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210202 [1,0,0,0,0,0|1,1,0]=3 105 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 34a_100009814618_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 7a_100009814618_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210202 [1,0,0,0,0,0|1,0,0]=2 108 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210202 [1,0,0,0,0,0|1,0,0]=2 109 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210202 [1,0,0,0,0,0|3,0,0]=4 110 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210202 [1,0,0,0,0,0|3,0,0]=4 111 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 34a_100009814618_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 7a_100009814618_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100000210202_100013799044 [1,0,0,0,0,0|1,0,0]=2 114 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210202 [1,0,0,0,0,0|1,0,0]=2 115 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210202 [1,0,0,0,0,0|2,0,0]=3 116 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000210202_100000039368 [1,0,0,0,0,0|2,0,0]=3 117 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210202 [1,0,0,0,0,0|1,1,0]=3 118 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000210202_100000023288 [1,0,0,0,0,0|1,1,0]=3 119 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 207a_100102657272_100000188581 [1,0,0,0,0,0|1,0,0]=2 120 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 26a_100102657272_100009816818 [1,0,0,0,0,0|1,0,0]=2 121 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 270004a_106832991635_100000188581 [1,0,0,0,0,0|1,0,0]=2 122 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 207a_100102657272_100000079178 [1,0,0,0,0,0|2,0,0]=3 123 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 270004a_106832991635_100000079178 [1,0,0,0,0,0|2,0,0]=3 124 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 207a_100102657272_100010168916 [1,0,0,0,0,0|1,1,0]=3 125 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 270004a_106832991635_100010168916 [1,0,0,0,0,0|1,1,0]=3 126 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 207a_100102657272_200010262236 [1,0,0,0,0,0|1,1,0]=3 127 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 270004a_106832991635_200010262236 [1,0,0,0,0,0|1,1,0]=3 128 B14R1.15069 COCc1cc(c(cc1OC)C)OC 34a_200010309539_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B14R1.15069 COCc1cc(c(cc1OC)C)OC 7a_200010309539_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 34a_100009816818_100015361967 [1,0,0,0,0,0|2,0,0]=3 131 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 7a_100009816818_100015361967 [1,0,0,0,0,0|2,0,0]=3 132 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100013799044_100015361967 [1,0,0,0,0,0|2,0,0]=3 133 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100015361967_100013799044 [1,0,0,0,0,0|2,0,0]=3 134 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 34a_200010309539_200025704644 [1,0,0,0,0,0|2,0,0]=3 135 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 7a_200010309539_200025704644 [1,0,0,0,0,0|2,0,0]=3 136 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100000039368_100015361967 [1,0,0,0,0,0|3,0,0]=4 137 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100015361967_100000039368 [1,0,0,0,0,0|3,0,0]=4 138 B14R1.15069 COc1cc(c(cc1Cl)OC)NCF 34a_100000179761_100015361967 [1,0,0,0,0,0|2,1,0]=4 139 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100000023288_100015361967 [1,0,0,0,0,0|2,1,0]=4 140 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100015361967_100000023288 [1,0,0,0,0,0|2,1,0]=4 141 B16R1.20043 CCc1cc(c(cc1OC)CN(C)C)OC 270004a_100102631434_200000092834 [0,1,0,0,0,0|3,0,0]=4 142 B16R1.20043 COc1cc(c(cc1C=O)OC)SC(C)C 62a_100000188581_100000210206 [0,1,0,0,0,0|3,0,0]=4 143 B16R1.20043 COc1cc(c(cc1CN(C)C)OC)OC 270004a_100102631434_100000210981 [0,1,0,0,0,0|3,0,0]=4 144 B16R1.20083 COc1cc(c(cc1Br)OC)OC(C)(C)C 34a_100009816818_100000210625 [0,1,0,0,0,0|2,0,0]=3 145 B16R1.20083 COc1cc(c(cc1Br)OC)OC(F)(F)F 34a_100009816818_200103152311 [0,1,0,0,0,0|3,0,0]=4 146 B16R1.20083 COc1cc(c(cc1Br)OC)OC(F)(F)F 7a_100009816818_200000243211 [0,1,0,0,0,0|3,0,0]=4 147 B16R1.20083 COc1cc(c(cc1Br)OC)SC(C)(C)C 62a_100000211941_100013799044 [0,1,0,0,0,0|2,0,0]=3 148 B16R1.20083 COc1cc(c(cc1Br)OC)SC(C)(C)C 62a_100013799044_100000211941 [0,1,0,0,0,0|2,0,0]=3 149 B16R1.20083 COc1cc(c(cc1Br)OC)SC(F)(F)F 62a_100013799044_200103152311 [0,1,0,0,0,0|3,0,0]=4 150 B16R1.20083 COc1cc(c(cc1Br)OC)SC(F)(F)F 62a_200000243211_100013799044 [0,1,0,0,0,0|3,0,0]=4 151 B16R1.20083 COc1cc(c(cc1C)OC)SC(C)(C)C 62a_100000039368_100000211941 [0,1,0,0,0,0|3,0,0]=4 152 B16R1.20083 COc1cc(c(cc1C)OC)SC(C)(C)C 62a_100000211941_100000039368 [0,1,0,0,0,0|3,0,0]=4 153 B16R1.20083 COc1cc(c(cc1Cl)OC)NC(C)(C)C 34a_100000179761_100000210625 [0,1,0,0,0,0|2,1,0]=4 154 B16R1.20083 COc1cc(c(cc1Cl)OC)SC(C)(C)C 62a_100000023288_100000211941 [0,1,0,0,0,0|2,1,0]=4 155 B16R1.20083 COc1cc(c(cc1Cl)OC)SC(C)(C)C 62a_100000211941_100000023288 [0,1,0,0,0,0|2,1,0]=4 156 B16R1.20087 C#CC(C)Nc1cc(c(cc1OC)Cl)OC 34a_100000179761_200000035995 [0,1,0,0,0,0|2,1,0]=4 157 B16R1.20087 C#CC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_200000035995 [0,1,0,0,0,0|2,0,0]=3 158 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)Br)OC 62a_200000035995_100013799044 [0,1,0,0,0,0|2,0,0]=3 159 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)C)OC 62a_200000035995_100000039368 [0,1,0,0,0,0|3,0,0]=4 160 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)Cl)OC 62a_200000035995_100000023288 [0,1,0,0,0,0|2,1,0]=4 161 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)Br)OC 62a_100011215867_100013799044 [0,1,0,0,0,0|2,0,0]=3 162 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)C)OC 62a_100011215867_100000039368 [0,1,0,0,0,0|3,0,0]=4 163 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100011215867_100000023288 [0,1,0,0,0,0|2,1,0]=4 164 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000758301 [0,1,0,0,0,0|2,1,0]=4 165 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 34a_100000179761_100011215416 [0,1,0,0,0,0|2,1,0]=4 166 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100011215416 [0,1,0,0,0,0|2,0,0]=3 167 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000758301 [0,1,0,0,0,0|2,0,0]=3 168 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100000758301_100013799044 [0,1,0,0,0,0|2,0,0]=3 169 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000758301 [0,1,0,0,0,0|2,0,0]=3 170 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000039368_100000758301 [0,1,0,0,0,0|3,0,0]=4 171 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000758301_100000039368 [0,1,0,0,0,0|3,0,0]=4 172 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000758301 [0,1,0,0,0,0|2,1,0]=4 173 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000758301_100000023288 [0,1,0,0,0,0|2,1,0]=4 174 B16R1.20087 CCN(C)Cc1cc(c(cc1OC)Br)OC 26a_100000225621_100009816818 [0,1,0,0,0,0|2,0,0]=3 175 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)C#N 7a_100009816818_100000703298 [0,1,0,0,0,0|1,0,1]=3 176 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 34a_100009816818_100012180447 [0,1,0,0,0,0|2,0,0]=3 177 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 7a_100009816818_100012180447 [0,1,0,0,0,0|2,0,0]=3 178 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)C#N 62a_100000703298_100013799044 [0,1,0,0,0,0|1,0,1]=3 179 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)C#N 62a_100013799044_100000703298 [0,1,0,0,0,0|1,0,1]=3 180 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)CO 62a_100012180447_100013799044 [0,1,0,0,0,0|2,0,0]=3 181 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)OC 62a_100009879195_100013799044 [0,1,0,0,0,0|2,0,0]=3 182 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)OC 62a_100013799044_100009879195 [0,1,0,0,0,0|2,0,0]=3 183 B16R1.20087 COc1cc(c(cc1Br)OC)SC(F)C#N 62a_100013799044_200000117898 [0,1,0,0,0,0|2,0,1]=4 184 B16R1.20087 COc1cc(c(cc1Br)OC)SC(F)C#N 62a_200000117898_100013799044 [0,1,0,0,0,0|2,0,1]=4 185 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100013799044_100016084084 [0,1,0,0,0,0|2,0,0]=3 186 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100016084084_100013799044 [0,1,0,0,0,0|2,0,0]=3 187 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)C#N 62a_100000039368_100000703298 [0,1,0,0,0,0|2,0,1]=4 188 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)C#N 62a_100000703298_100000039368 [0,1,0,0,0,0|2,0,1]=4 189 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)CO 62a_100012180447_100000039368 [0,1,0,0,0,0|3,0,0]=4 190 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)OC 62a_100000039368_100009879195 [0,1,0,0,0,0|3,0,0]=4 191 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)OC 62a_100009879195_100000039368 [0,1,0,0,0,0|3,0,0]=4 192 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100000039368_100016084084 [0,1,0,0,0,0|3,0,0]=4 193 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100016084084_100000039368 [0,1,0,0,0,0|3,0,0]=4 194 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)C#N 2230a_100000179761_100000184139 [0,1,0,0,0,0|1,1,1]=4 195 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 2230a_100000179761_100012180447 [0,1,0,0,0,0|2,1,0]=4 196 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 34a_100000179761_100012180447 [0,1,0,0,0,0|2,1,0]=4 197 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)C#N 62a_100000023288_100000703298 [0,1,0,0,0,0|1,1,1]=4 198 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)C#N 62a_100000703298_100000023288 [0,1,0,0,0,0|1,1,1]=4 199 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)CO 62a_100012180447_100000023288 [0,1,0,0,0,0|2,1,0]=4 200 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)OC 62a_100000023288_100009879195 [0,1,0,0,0,0|2,1,0]=4 201 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)OC 62a_100009879195_100000023288 [0,1,0,0,0,0|2,1,0]=4 202 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100000023288_100016084084 [0,1,0,0,0,0|2,1,0]=4 203 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100016084084_100000023288 [0,1,0,0,0,0|2,1,0]=4 204 B16R1.20096 COc1cc(c(cc1Br)C(=O)C)OC(C)C 7a_100009813116_100000210206 [0,1,0,0,0,0|3,0,0]=4 205 B16R1.84460 COc1cc(c(cc1Br)OC)C(=C(C)C)C 271570a_200000049429_100013799044 [0,1,0,0,0,0|1,0,2]=4 206 B16R2.1579 COc1cc2c(cc1CN(C)C)OCO2 270004a_100102631434_100000186743 [0,0,0,1,0,0|3,0,0]=4 207 B16R2.1579 COc1cc2c(cc1NC(C)C)OCO2 2230a_200000088178_100000210206 [0,0,0,1,0,0|3,0,0]=4 208 B16R2.1579 COc1cc2c(cc1NC(C)C)OCO2 34a_200000088178_100000210206 [0,0,0,1,0,0|3,0,0]=4 209 B16R2.41793 COc1cc(c(cc1Br)OC)OC2CC2 34a_100009816818_100000211595 [0,0,0,1,0,0|2,0,0]=3 210 B16R2.41793 COc1cc(c(cc1Br)OC)SC2CC2 62a_100013799044_100000211595 [0,0,0,1,0,0|2,0,0]=3 211 B16R2.41793 COc1cc(c(cc1C)OC)SC2CC2 62a_100000039368_100000211595 [0,0,0,1,0,0|3,0,0]=4 212 B16R2.41793 COc1cc(c(cc1Cl)OC)NC2CC2 34a_100000179761_100000211595 [0,0,0,1,0,0|2,1,0]=4 213 B16R2.41793 COc1cc(c(cc1Cl)OC)SC2CC2 62a_100000023288_100000211595 [0,0,0,1,0,0|2,1,0]=4 214 B14R1.2288 C=C(C)c1cc(c(cc1OC)Br)OC 271570a_100000694244_100013799044 [0,0,0,0,1,0|1,0,1]=3 215 B14R1.2288 C=C(C)c1cc(c(cc1OC)C)OC 271570a_100000694244_100000039368 [0,0,0,0,1,0|2,0,1]=4 216 B14R1.2288 C=C(C)c1cc(c(cc1OC)Cl)OC 271570a_100000694244_100000023288 [0,0,0,0,1,0|1,1,1]=4 217 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)OC 271570a_100000694244_100009816818 [0,0,0,0,1,0|2,0,1]=4 218 B14R1.2288 COc1cc(c(cc1O)OC)C(=O)C 271570a_203496583355_100012352748 [0,0,0,0,1,0|2,0,1]=4 219 B16R1.20060 C=C(C)CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000748629 [0,0,0,0,0,1|1,1,1]=4 220 B16R1.20060 C=C(C)CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000748629 [0,0,0,0,0,1|1,1,1]=4 221 B16R1.20060 C=C(C)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000748629 [0,0,0,0,0,1|1,0,1]=3 222 B16R1.20060 C=C(C)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000748629 [0,0,0,0,0,1|1,0,1]=3 223 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Br)OC 62a_100000748629_100013799044 [0,0,0,0,0,1|1,0,1]=3 224 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000211660 [0,0,0,0,0,1|1,0,1]=3 225 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)C)OC 62a_100000039368_100000211660 [0,0,0,0,0,1|2,0,1]=4 226 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)C)OC 62a_100000748629_100000039368 [0,0,0,0,0,1|2,0,1]=4 227 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000211660 [0,0,0,0,0,1|1,1,1]=4 228 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Cl)OC 62a_100000748629_100000023288 [0,0,0,0,0,1|1,1,1]=4 229 B16R1.20060 C=C(F)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100009893438 [0,0,0,0,0,1|1,0,2]=4 230 B16R1.20060 C=C(F)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000042424 [0,0,0,0,0,1|1,0,2]=4 231 B16R1.20060 C=C(F)CSc1cc(c(cc1OC)Br)OC 62a_100000042424_100013799044 [0,0,0,0,0,1|1,0,2]=4 232 B16R1.20060 C=C(F)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000042424 [0,0,0,0,0,1|1,0,2]=4 233 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)C 34a_200010661296_100000210624 [0,0,0,0,0,1|3,0,0]=4 234 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)C 7a_200010661296_100000210760 [0,0,0,0,0,1|3,0,0]=4 235 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)O 34a_200010661296_100011218427 [0,0,0,0,0,1|3,0,0]=4 236 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)O 7a_200010661296_100011218427 [0,0,0,0,0,1|3,0,0]=4 237 B16R1.20060 CCc1cc(c(cc1C)OC)OC[C@@H](C)O 34a_200010661296_100009817552 [0,0,0,0,0,1|3,0,0]=4 238 B16R1.20060 CCc1cc(c(cc1C)OC)OC[C@@H](C)O 7a_200010661296_100009817552 [0,0,0,0,0,1|3,0,0]=4 239 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)C 271570a_100016257149_100013799044 [0,0,0,0,0,1|1,0,1]=3 240 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)O 271570a_200011019289_100013799044 [0,0,0,0,0,1|1,0,1]=3 241 B16R1.20060 COc1cc(c(cc1Br)OC)CNC(C)C 207a_100138425928_100000188581 [0,0,0,0,0,1|1,0,0]=2 242 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)N 34a_100009816818_100000187820 [0,0,0,0,0,1|1,0,1]=3 243 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)N 7a_100009816818_100000187820 [0,0,0,0,0,1|1,0,1]=3 244 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)[O-] 34a_100009816818_100020667443 [0,0,0,0,0,1|2,0,1]=4 245 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)C 34a_100009816818_100000210624 [0,0,0,0,0,1|1,0,0]=2 246 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)C 7a_100009816818_100000210760 [0,0,0,0,0,1|1,0,0]=2 247 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)O 34a_100009816818_100011218427 [0,0,0,0,0,1|1,0,0]=2 248 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)O 7a_100009816818_100011218427 [0,0,0,0,0,1|1,0,0]=2 249 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(F)F 34a_100009816818_100011934356 [0,0,0,0,0,1|2,0,0]=3 250 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(F)F 7a_100009816818_100011934356 [0,0,0,0,0,1|2,0,0]=3 251 B16R1.20060 COc1cc(c(cc1Br)OC)OC[C@@H](C)O 34a_100009816818_100009817552 [0,0,0,0,0,1|1,0,0]=2 252 B16R1.20060 COc1cc(c(cc1Br)OC)OC[C@@H](C)O 7a_100009816818_100009817552 [0,0,0,0,0,1|1,0,0]=2 253 B16R1.20060 COc1cc(c(cc1Br)OC)OC[N+](=O)[O-] 34a_100009816818_100000761209 [0,0,0,0,0,1|3,0,0]=4 254 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)N 62a_100000747473_100013799044 [0,0,0,0,0,1|1,0,1]=3 255 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)N 62a_100013799044_100000747473 [0,0,0,0,0,1|1,0,1]=3 256 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)[O-] 62a_100013799044_100020667443 [0,0,0,0,0,1|2,0,1]=4 257 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)[O-] 62a_100020667443_100013799044 [0,0,0,0,0,1|2,0,1]=4 258 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)C 62a_100000210624_100013799044 [0,0,0,0,0,1|1,0,0]=2 259 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)C 62a_100013799044_100000210760 [0,0,0,0,0,1|1,0,0]=2 260 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)O 62a_100011218427_100013799044 [0,0,0,0,0,1|1,0,0]=2 261 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)O 62a_100013799044_100011218427 [0,0,0,0,0,1|1,0,0]=2 262 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(F)F 62a_100011934356_100013799044 [0,0,0,0,0,1|2,0,0]=3 263 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(F)F 62a_100013799044_100011934356 [0,0,0,0,0,1|2,0,0]=3 264 B16R1.20060 COc1cc(c(cc1Br)OC)SC[C@@H](C)O 62a_100009817552_100013799044 [0,0,0,0,0,1|1,0,0]=2 265 B16R1.20060 COc1cc(c(cc1Br)OC)SC[C@@H](C)O 62a_100013799044_100009817552 [0,0,0,0,0,1|1,0,0]=2 266 B16R1.20060 COc1cc(c(cc1Br)OC)SC[N+](=O)[O-] 62a_100013799044_100000761209 [0,0,0,0,0,1|3,0,0]=4 267 B16R1.20060 COc1cc(c(cc1C)OC)C=CC(C)C 271570a_100016257149_100000039368 [0,0,0,0,0,1|2,0,1]=4 268 B16R1.20060 COc1cc(c(cc1C)OC)C=CC(C)O 271570a_200011019289_100000039368 [0,0,0,0,0,1|2,0,1]=4 269 B16R1.20060 COc1cc(c(cc1C)OC)CNC(C)C 207a_100138425928_100000079178 [0,0,0,0,0,1|2,0,0]=3 270 B16R1.20060 COc1cc(c(cc1C)OC)COC(C)C 34a_200010309539_100000210206 [0,0,0,0,0,1|2,0,0]=3 271 B16R1.20060 COc1cc(c(cc1C)OC)COC(C)C 7a_200010309539_100000210206 [0,0,0,0,0,1|2,0,0]=3 272 B16R1.20060 COc1cc(c(cc1C)OC)SCC(=O)N 62a_100000039368_100000747473 [0,0,0,0,0,1|2,0,1]=4 273 B16R1.20060 COc1cc(c(cc1C)OC)SCC(=O)N 62a_100000747473_100000039368 [0,0,0,0,0,1|2,0,1]=4 274 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)C 62a_100000039368_100000210760 [0,0,0,0,0,1|2,0,0]=3 275 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)C 62a_100000210624_100000039368 [0,0,0,0,0,1|2,0,0]=3 276 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)O 62a_100000039368_100011218427 [0,0,0,0,0,1|2,0,0]=3 277 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)O 62a_100011218427_100000039368 [0,0,0,0,0,1|2,0,0]=3 278 B16R1.20060 COc1cc(c(cc1C)OC)SCC(F)F 62a_100000039368_100011934356 [0,0,0,0,0,1|3,0,0]=4 279 B16R1.20060 COc1cc(c(cc1C)OC)SCC(F)F 62a_100011934356_100000039368 [0,0,0,0,0,1|3,0,0]=4 280 B16R1.20060 COc1cc(c(cc1C)OC)SC[C@@H](C)O 62a_100000039368_100009817552 [0,0,0,0,0,1|2,0,0]=3 281 B16R1.20060 COc1cc(c(cc1C)OC)SC[C@@H](C)O 62a_100009817552_100000039368 [0,0,0,0,0,1|2,0,0]=3 282 B16R1.20060 COc1cc(c(cc1Cl)OC)C=CC(C)C 271570a_100016257149_100000023288 [0,0,0,0,0,1|1,1,1]=4 283 B16R1.20060 COc1cc(c(cc1Cl)OC)C=CC(C)O 271570a_200011019289_100000023288 [0,0,0,0,0,1|1,1,1]=4 284 B16R1.20060 COc1cc(c(cc1Cl)OC)CNC(C)C 207a_100138425928_100010168916 [0,0,0,0,0,1|1,1,0]=3 285 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(=O)N 2230a_100000179761_100000747473 [0,0,0,0,0,1|1,1,1]=4 286 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(=O)N 34a_100000179761_100000187820 [0,0,0,0,0,1|1,1,1]=4 287 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)C 2230a_100000179761_100000210760 [0,0,0,0,0,1|1,1,0]=3 288 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)C 34a_100000179761_100000210624 [0,0,0,0,0,1|1,1,0]=3 289 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)O 2230a_100000179761_100011218427 [0,0,0,0,0,1|1,1,0]=3 290 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)O 34a_100000179761_100011218427 [0,0,0,0,0,1|1,1,0]=3 291 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(F)F 2230a_100000179761_100011934356 [0,0,0,0,0,1|2,1,0]=4 292 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(F)F 34a_100000179761_100011934356 [0,0,0,0,0,1|2,1,0]=4 293 B16R1.20060 COc1cc(c(cc1Cl)OC)NC[C@@H](C)O 2230a_100000179761_100009817552 [0,0,0,0,0,1|1,1,0]=3 294 B16R1.20060 COc1cc(c(cc1Cl)OC)NC[C@@H](C)O 34a_100000179761_100009817552 [0,0,0,0,0,1|1,1,0]=3 295 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(=O)N 62a_100000023288_100000747473 [0,0,0,0,0,1|1,1,1]=4 296 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(=O)N 62a_100000747473_100000023288 [0,0,0,0,0,1|1,1,1]=4 297 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)C 62a_100000023288_100000210760 [0,0,0,0,0,1|1,1,0]=3 298 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)C 62a_100000210624_100000023288 [0,0,0,0,0,1|1,1,0]=3 299 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)O 62a_100000023288_100011218427 [0,0,0,0,0,1|1,1,0]=3 300 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)O 62a_100011218427_100000023288 [0,0,0,0,0,1|1,1,0]=3 301 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(F)F 62a_100000023288_100011934356 [0,0,0,0,0,1|2,1,0]=4 302 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(F)F 62a_100011934356_100000023288 [0,0,0,0,0,1|2,1,0]=4 303 B16R1.20060 COc1cc(c(cc1Cl)OC)SC[C@@H](C)O 62a_100000023288_100009817552 [0,0,0,0,0,1|1,1,0]=3 304 B16R1.20060 COc1cc(c(cc1Cl)OC)SC[C@@H](C)O 62a_100009817552_100000023288 [0,0,0,0,0,1|1,1,0]=3 305 B16R1.20060 COc1cc(c(cc1I)OC)CNC(C)C 207a_100138425928_200010262236 [0,0,0,0,0,1|1,1,0]=3 306 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)C 271570a_100016257149_100009816818 [0,0,0,0,0,1|2,0,1]=4 307 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)O 271570a_200011019289_100009816818 [0,0,0,0,0,1|2,0,1]=4 308 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [2,0,0,0,0,0|1,0,1]=4 309 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [2,0,0,0,0,0|1,0,1]=4 310 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [2,0,0,0,0,0|1,0,1]=4 311 B13R1.52 COc1cc(ccc1Br)CN(C)C 2230a_100102631434_100010110085 [2,0,0,0,0,0|2,0,0]=4 312 B13R1.52 COc1cc(ccc1Br)CN(C)C 269982a_100102631434_100010110085 [2,0,0,0,0,0|2,0,0]=4 313 B13R1.52 COc1cc(ccc1Br)CN(C)C 270004a_100102631434_100010244714 [2,0,0,0,0,0|2,0,0]=4 314 B13R1.52 COc1cc(ccc1Br)NC(C)C 2230a_100000765947_100000210206 [2,0,0,0,0,0|2,0,0]=4 315 B13R1.52 COc1cc(ccc1Br)NC(C)C 34a_100000765947_100000210206 [2,0,0,0,0,0|2,0,0]=4 316 B13R1.52 COc1cc(ccc1Br)OC(C)C 34a_100011827694_100000210206 [2,0,0,0,0,0|2,0,0]=4 317 B13R1.52 COc1cc(ccc1Br)OC(C)C 7a_100011827694_100000210206 [2,0,0,0,0,0|2,0,0]=4 318 B13R1.52 COc1cc(ccc1Br)SC(C)C 62a_100000210206_100012353699 [2,0,0,0,0,0|2,0,0]=4 319 B13R1.52 COc1cc(ccc1Br)SC(C)C 62a_100012353699_100000210206 [2,0,0,0,0,0|2,0,0]=4 320 B13R1.97 COc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100012017359 [2,0,0,0,0,0|2,0,0]=4 321 B13R1.97 COc1ccc(c(c1)CN(C)C)O 271570a_203496583355_100000727244 [2,0,0,0,0,0|2,0,0]=4 322 B13R1.97 COc1ccc(c(c1)NC(C)C)C 2230a_100000760359_100000210206 [2,0,0,0,0,0|2,0,0]=4 323 B13R1.97 COc1ccc(c(c1)NC(C)C)C 34a_100000760359_100000210206 [2,0,0,0,0,0|2,0,0]=4 324 B13R1.97 COc1ccc(c(c1)NC(C)C)O 34a_100000188146_100000210206 [2,0,0,0,0,0|2,0,0]=4 325 B13R1.97 COc1ccc(c(c1)OC(C)C)C 34a_100012179981_100000210206 [2,0,0,0,0,0|2,0,0]=4 326 B13R1.97 COc1ccc(c(c1)OC(C)C)C 7a_100012179981_100000210206 [2,0,0,0,0,0|2,0,0]=4 327 B13R1.97 COc1ccc(c(c1)SC(C)C)C 62a_100000210206_100012349166 [2,0,0,0,0,0|2,0,0]=4 328 B13R1.97 COc1ccc(c(c1)SC(C)C)C 62a_100012349166_100000210206 [2,0,0,0,0,0|2,0,0]=4 329 B13R1.97 COc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000685887 [2,0,0,0,0,0|2,0,0]=4 330 B13R1.876 Cc1cc(c(cc1Br)C)CN(C)C 270004a_100102631434_100012024176 [2,0,0,0,0,0|2,0,0]=4 331 B13R1.876 Cc1cc(c(cc1Br)C)NC(C)C 2230a_100011934712_100000210206 [2,0,0,0,0,0|2,0,0]=4 332 B13R1.876 Cc1cc(c(cc1Br)C)NC(C)C 34a_100011934712_100000210206 [2,0,0,0,0,0|2,0,0]=4 333 B13R1.876 Cc1cc(c(cc1Br)C)NC(C)C 7a_100011934712_100000210206 [2,0,0,0,0,0|2,0,0]=4 334 B13R1.876 Cc1cc(c(cc1Br)C)OC(C)C 34a_100000698207_100000210206 [2,0,0,0,0,0|2,0,0]=4 335 B13R1.876 Cc1cc(c(cc1Br)C)OC(C)C 7a_100000698207_100000210206 [2,0,0,0,0,0|2,0,0]=4 336 B13R1.876 Cc1cc(c(cc1Br)C)SC(C)C 62a_100000210206_100011356911 [2,0,0,0,0,0|2,0,0]=4 337 B13R1.876 Cc1cc(c(cc1Br)C)SC(C)C 62a_100011356911_100000210206 [2,0,0,0,0,0|2,0,0]=4 338 B13R1.876 Cc1cc(c(cc1Br)O)NC(C)C 34a_200010107346_100000210206 [2,0,0,0,0,0|2,0,0]=4 339 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 34a_100000718616_100000210202 [2,0,0,0,0,0|2,0,0]=4 340 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 7a_100000718616_100000210202 [2,0,0,0,0,0|2,0,0]=4 341 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100000210202 [2,0,0,0,0,0|1,0,0]=3 342 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100000210202 [2,0,0,0,0,0|1,0,0]=3 343 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 2230a_100009858536_100000210202 [2,0,0,0,0,0|1,1,0]=4 344 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 34a_100009858536_100000210202 [2,0,0,0,0,0|1,1,0]=4 345 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 7a_100009858536_100000210202 [2,0,0,0,0,0|1,1,0]=4 346 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 34a_100012361290_100000210202 [2,0,0,0,0,0|2,0,0]=4 347 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 7a_100012361290_100000210202 [2,0,0,0,0,0|2,0,0]=4 348 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_100000210202_200014006352 [2,0,0,0,0,0|2,0,0]=4 349 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_200014006352_100000210202 [2,0,0,0,0,0|2,0,0]=4 350 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100000210202_100011009880 [2,0,0,0,0,0|1,1,0]=4 351 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100011009880_100000210202 [2,0,0,0,0,0|1,1,0]=4 352 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100000210202_100010141321 [2,0,0,0,0,0|2,0,0]=4 353 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100010141321_100000210202 [2,0,0,0,0,0|2,0,0]=4 354 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 207a_100102657272_100010996155 [2,0,0,0,0,0|2,0,0]=4 355 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 270004a_106832991635_100010996155 [2,0,0,0,0,0|2,0,0]=4 356 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 207a_100102657272_100000695681 [2,0,0,0,0,0|2,0,0]=4 357 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 270004a_106832991635_100000695681 [2,0,0,0,0,0|2,0,0]=4 358 B13R1.2900 COc1cc(c(cc1Br)C)NCF 34a_100010232211_100015361967 [2,0,0,0,0,0|2,0,0]=4 359 B13R1.2900 COc1cc(c(cc1Br)C)NCF 7a_100010232211_100015361967 [2,0,0,0,0,0|2,0,0]=4 360 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [2,0,0,0,0,0|1,0,1]=4 361 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [2,0,0,0,0,0|1,0,1]=4 362 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [2,0,0,0,0,0|1,0,1]=4 363 B13R1.51 COc1cc(ccc1CN(C)C)Br 2230a_100102631434_100012359436 [2,0,0,0,0,0|2,0,0]=4 364 B13R1.51 COc1cc(ccc1CN(C)C)Br 269982a_100102631434_100012359436 [2,0,0,0,0,0|2,0,0]=4 365 B13R1.51 COc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000697075 [2,0,0,0,0,0|2,0,0]=4 366 B13R1.51 COc1cc(ccc1NC(C)C)Br 34a_100011279103_100000210206 [2,0,0,0,0,0|2,0,0]=4 367 B13R1.51 COc1cc(ccc1OC(C)C)Br 34a_100000694246_100000210206 [2,0,0,0,0,0|2,0,0]=4 368 B13R1.51 COc1cc(ccc1OC(C)C)Br 7a_100000694246_100000210206 [2,0,0,0,0,0|2,0,0]=4 369 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100000210206_100010245111 [2,0,0,0,0,0|2,0,0]=4 370 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100010245111_100000210206 [2,0,0,0,0,0|2,0,0]=4 371 B13R1.2899 CCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000210202 [2,0,0,0,0,0|1,0,0]=3 372 B13R1.2899 CCNc1cc(c(cc1OC)Br)C 34a_100010141321_100000210202 [2,0,0,0,0,0|1,0,0]=3 373 B13R1.2899 CCNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_100000210202 [2,0,0,0,0,0|2,0,0]=4 374 B13R1.2899 CCNc1cc(c(cc1OC)Br)Cl 34a_100010212225_100000210202 [2,0,0,0,0,0|2,0,0]=4 375 B13R1.2899 CCNc1cc(c(cc1OC)Br)F 2230a_100012766639_100000210202 [2,0,0,0,0,0|2,0,0]=4 376 B13R1.2899 CCNc1cc(c(cc1OC)Br)F 34a_100012766639_100000210202 [2,0,0,0,0,0|2,0,0]=4 377 B13R1.2899 CCNc1cc(c(cc1OC)Cl)C 2230a_100000211396_100000210202 [2,0,0,0,0,0|1,1,0]=4 378 B13R1.2899 CCNc1cc(c(cc1OC)Cl)C 34a_100000211396_100000210202 [2,0,0,0,0,0|1,1,0]=4 379 B13R1.2899 CCOc1cc(c(cc1OC)Br)F 34a_100010189133_100000210202 [2,0,0,0,0,0|2,0,0]=4 380 B13R1.2899 CCOc1cc(c(cc1OC)Br)F 7a_100010189133_100000210202 [2,0,0,0,0,0|2,0,0]=4 381 B13R1.2899 CCSc1cc(c(cc1OC)F)C 62a_100000210202_100010201977 [2,0,0,0,0,0|1,1,0]=4 382 B13R1.2899 CCSc1cc(c(cc1OC)F)C 62a_100010201977_100000210202 [2,0,0,0,0,0|1,1,0]=4 383 B13R1.2899 CCSc1cc(c(cc1OC)N)C 62a_100000210202_100010232211 [2,0,0,0,0,0|2,0,0]=4 384 B13R1.2899 CCSc1cc(c(cc1OC)N)C 62a_100010232211_100000210202 [2,0,0,0,0,0|2,0,0]=4 385 B13R1.2899 CNCc1cc(c(cc1OC)Br)F 26a_100102657272_100010189133 [2,0,0,0,0,0|2,0,0]=4 386 B13R1.2899 COc1cc(c(cc1NCF)C)Br 34a_100010141321_100015361967 [2,0,0,0,0,0|2,0,0]=4 387 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [2,0,0,0,0,0|1,0,1]=4 388 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [2,0,0,0,0,0|1,0,1]=4 389 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [2,0,0,0,0,0|1,0,1]=4 390 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [2,0,0,0,0,0|1,0,1]=4 391 B13R1.3089 COc1ccc(cc1CN(C)C)C 2230a_100102631434_100000199068 [2,0,0,0,0,0|2,0,0]=4 392 B13R1.3089 COc1ccc(cc1CN(C)C)C 269982a_100102631434_100000199068 [2,0,0,0,0,0|2,0,0]=4 393 B13R1.3089 COc1ccc(cc1CN(C)C)C 270004a_100102631434_100000203738 [2,0,0,0,0,0|2,0,0]=4 394 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [2,0,0,0,0,0|2,0,0]=4 395 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [2,0,0,0,0,0|2,0,0]=4 396 B13R1.3089 COc1ccc(cc1OC(C)C)C 34a_100011216497_100000210206 [2,0,0,0,0,0|2,0,0]=4 397 B13R1.3089 COc1ccc(cc1OC(C)C)C 7a_100011216497_100000210206 [2,0,0,0,0,0|2,0,0]=4 398 B13R1.3089 COc1ccc(cc1OC(C)C)O 271570a_203496583355_200010232110 [2,0,0,0,0,0|2,0,0]=4 399 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000186399_100000210206 [2,0,0,0,0,0|2,0,0]=4 400 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000210206_100000186399 [2,0,0,0,0,0|2,0,0]=4 401 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100000210206_100010234764 [2,0,0,0,0,0|2,0,0]=4 402 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100010234764_100000210206 [2,0,0,0,0,0|2,0,0]=4 403 B13R1.355 C=CCc1cc(ccc1OC)OC 7a_200000185190_200000210301 [2,0,0,0,0,0|0,0,2]=4 404 B13R1.355 C=CCc1cc(ccc1O[13CH3])OC 7a_200000185190_200025704644 [2,0,0,0,0,0|0,0,2]=4 405 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [2,0,0,0,0,0|1,0,1]=4 406 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [2,0,0,0,0,0|0,0,2]=4 407 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [2,0,0,0,0,0|2,0,0]=4 408 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [2,0,0,0,0,0|2,0,0]=4 409 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [2,0,0,0,0,0|1,0,0]=3 410 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [2,0,0,0,0,0|1,0,0]=3 411 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [2,0,0,0,0,0|2,0,0]=4 412 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [2,0,0,0,0,0|2,0,0]=4 413 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [2,0,0,0,0,0|1,0,0]=3 414 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [2,0,0,0,0,0|2,0,0]=4 415 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [2,0,0,0,0,0|2,0,0]=4 416 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [2,0,0,0,0,0|2,0,0]=4 417 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [2,0,0,0,0,0|2,0,0]=4 418 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [2,0,0,0,0,0|1,0,0]=3 419 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [2,0,0,0,0,0|1,0,0]=3 420 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [2,0,0,0,0,0|2,0,0]=4 421 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [2,0,0,0,0,0|2,0,0]=4 422 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [2,0,0,0,0,0|2,0,0]=4 423 B13R1.355 CNCc1cc(ccc1OC)OC 207a_100102657272_100000170336 [2,0,0,0,0,0|1,0,0]=3 424 B13R1.355 CNCc1cc(ccc1OC)OC 26a_100102657272_100000074795 [2,0,0,0,0,0|1,0,0]=3 425 B13R1.355 CNCc1cc(ccc1OC)OC 270004a_106832991635_100000170336 [2,0,0,0,0,0|1,0,0]=3 426 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100000185951_200000210301 [2,0,0,0,0,0|1,0,0]=3 427 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100102657272_100011233847 [2,0,0,0,0,0|1,0,0]=3 428 B13R1.355 CNCc1cc(ccc1OC)OC 7a_106832991635_100000205131 [2,0,0,0,0,0|1,0,0]=3 429 B13R1.355 CNCc1cc(ccc1OC)SC 62a_100000690607_200000210301 [2,0,0,0,0,0|1,1,0]=4 430 B13R1.355 CNCc1cc(ccc1OC)SC 62a_200000210301_100000690607 [2,0,0,0,0,0|1,1,0]=4 431 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_100000690607_200025704644 [2,0,0,0,0,0|1,1,0]=4 432 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100000690607 [2,0,0,0,0,0|1,1,0]=4 433 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [2,0,0,0,0,0|1,0,0]=3 434 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [2,0,0,0,0,0|1,0,0]=3 435 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [2,0,0,0,0,0|1,1,0]=4 436 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [2,0,0,0,0,0|1,1,0]=4 437 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [2,0,0,0,0,0|1,1,0]=4 438 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [2,0,0,0,0,0|1,1,0]=4 439 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_100012259501_200000210301 [2,0,0,0,0,0|1,1,0]=4 440 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_200000210301_100012259501 [2,0,0,0,0,0|1,1,0]=4 441 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_100012259501_200025704644 [2,0,0,0,0,0|1,1,0]=4 442 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_200025704644_100012259501 [2,0,0,0,0,0|1,1,0]=4 443 B13R1.355 COc1ccc(c(c1)CN[13CH3])OC 34a_100000185951_200025704644 [2,0,0,0,0,0|1,0,0]=3 444 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [2,0,0,0,0,0|1,0,0]=3 445 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_100000205131_200000210301 [2,0,0,0,0,0|1,0,0]=3 446 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_200000210301_100011233847 [2,0,0,0,0,0|1,0,0]=3 447 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_100000205131_200025704644 [2,0,0,0,0,0|1,0,0]=3 448 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_200025704644_100011233847 [2,0,0,0,0,0|1,0,0]=3 449 B13R1.355 COc1ccc(c(c1)NCF)OC 34a_100000184736_100015361967 [2,0,0,0,0,0|2,0,0]=4 450 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [2,0,0,0,0,0|2,0,0]=4 451 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100011215452_100015361967 [2,0,0,0,0,0|2,0,0]=4 452 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100015361967_100011215452 [2,0,0,0,0,0|2,0,0]=4 453 B13R1.355 COc1ccc(cc1CCN)SC 62a_100000763266_200000210301 [2,0,0,0,0,0|0,1,0]=3 454 B13R1.355 COc1ccc(cc1CCN)SC 62a_200000210301_100000763266 [2,0,0,0,0,0|0,1,0]=3 455 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_100000763266_200025704644 [2,0,0,0,0,0|0,1,0]=3 456 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_200025704644_100000763266 [2,0,0,0,0,0|0,1,0]=3 457 B13R1.2200 C=Cc1cc(c(cc1OC)Br)OC 271570a_100011290941_100013799044 [2,0,0,0,0,0|0,0,2]=4 458 B13R1.2200 CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_200000210301 [2,0,0,0,0,0|1,1,0]=4 459 B13R1.2200 CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_200000210301 [2,0,0,0,0,0|1,1,0]=4 460 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [2,0,0,0,0,0|1,0,0]=3 461 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [2,0,0,0,0,0|1,0,0]=3 462 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [2,0,0,0,0,0|1,0,0]=3 463 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [2,0,0,0,0,0|1,0,0]=3 464 B13R1.2200 COc1cc(c(cc1Br)OC)SC 62a_100013799044_200000210301 [2,0,0,0,0,0|1,0,0]=3 465 B13R1.2200 COc1cc(c(cc1Br)OC)SC 62a_200000210301_100013799044 [2,0,0,0,0,0|1,0,0]=3 466 B13R1.2200 COc1cc(c(cc1Br)OC)S[13CH3] 62a_100013799044_200025704644 [2,0,0,0,0,0|1,0,0]=3 467 B13R1.2200 COc1cc(c(cc1Br)OC)S[13CH3] 62a_200025704644_100013799044 [2,0,0,0,0,0|1,0,0]=3 468 B13R1.2200 COc1cc(c(cc1C)OC)SC 62a_100000039368_200000210301 [2,0,0,0,0,0|2,0,0]=4 469 B13R1.2200 COc1cc(c(cc1C)OC)SC 62a_200000210301_100000039368 [2,0,0,0,0,0|2,0,0]=4 470 B13R1.2200 COc1cc(c(cc1C)OC)S[13CH3] 62a_100000039368_200025704644 [2,0,0,0,0,0|2,0,0]=4 471 B13R1.2200 COc1cc(c(cc1C)OC)S[13CH3] 62a_200025704644_100000039368 [2,0,0,0,0,0|2,0,0]=4 472 B13R1.2200 COc1cc(c(cc1Cl)OC)N[13CH3] 2230a_100000179761_200025704644 [2,0,0,0,0,0|1,1,0]=4 473 B13R1.2200 COc1cc(c(cc1Cl)OC)N[13CH3] 34a_100000179761_200025704644 [2,0,0,0,0,0|1,1,0]=4 474 B13R1.2200 COc1cc(c(cc1Cl)OC)SC 62a_100000023288_200000210301 [2,0,0,0,0,0|1,1,0]=4 475 B13R1.2200 COc1cc(c(cc1Cl)OC)SC 62a_200000210301_100000023288 [2,0,0,0,0,0|1,1,0]=4 476 B13R1.2200 COc1cc(c(cc1Cl)OC)S[13CH3] 62a_100000023288_200025704644 [2,0,0,0,0,0|1,1,0]=4 477 B13R1.2200 COc1cc(c(cc1Cl)OC)S[13CH3] 62a_200025704644_100000023288 [2,0,0,0,0,0|1,1,0]=4 478 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [2,0,0,0,0,0|2,0,0]=4 479 B15R1.1793 COc1cc(c(cc1Br)C)NC(C)(C)C 34a_100010232211_100000210625 [1,1,0,0,0,0|2,0,0]=4 480 B15R1.1794 C#CC(C)Nc1cc(c(cc1C)Br)OC 34a_100010232211_200000035995 [1,1,0,0,0,0|2,0,0]=4 481 B15R1.1794 CCC(C)Nc1cc(c(cc1C)Br)OC 34a_100010232211_100011215416 [1,1,0,0,0,0|2,0,0]=4 482 B15R1.1794 CCC(C)Nc1cc(c(cc1C)Br)OC 7a_100010232211_100000758301 [1,1,0,0,0,0|2,0,0]=4 483 B15R1.1794 COc1cc(c(cc1Br)C)NC(C)C#N 7a_100010232211_100000703298 [1,1,0,0,0,0|1,0,1]=4 484 B15R1.1794 COc1cc(c(cc1Br)C)NC(C)CO 34a_100010232211_100012180447 [1,1,0,0,0,0|2,0,0]=4 485 B15R1.1794 COc1cc(c(cc1Br)C)NC(C)CO 7a_100010232211_100012180447 [1,1,0,0,0,0|2,0,0]=4 486 B15R1.1787 C#CC(C)Nc1cc(c(cc1OC)Br)C 34a_100010141321_200000035995 [1,1,0,0,0,0|2,0,0]=4 487 B15R1.1787 CCC(C)Nc1cc(c(cc1OC)Br)C 2230a_100010141321_100000758301 [1,1,0,0,0,0|2,0,0]=4 488 B15R1.1787 CCC(C)Nc1cc(c(cc1OC)Br)C 34a_100010141321_100011215416 [1,1,0,0,0,0|2,0,0]=4 489 B15R1.1787 COc1cc(c(cc1NC(C)C#N)C)Br 2230a_100010141321_100000184139 [1,1,0,0,0,0|1,0,1]=4 490 B15R1.1787 COc1cc(c(cc1NC(C)CO)C)Br 2230a_100010141321_100012180447 [1,1,0,0,0,0|2,0,0]=4 491 B15R1.1787 COc1cc(c(cc1NC(C)CO)C)Br 34a_100010141321_100012180447 [1,1,0,0,0,0|2,0,0]=4 492 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)C)Br 34a_100010141321_100000210625 [1,1,0,0,0,0|2,0,0]=4 493 B15R1.717 COc1cc(c(c(c1)NC(C)C)OC)Br 34a_100010294495_100000210206 [1,1,0,0,0,0|2,0,0]=4 494 B15R1.717 COc1cc(c(c(c1)OC(C)C)OC)Br 34a_200020900881_100000210206 [1,1,0,0,0,0|2,0,0]=4 495 B15R1.717 COc1cc(c(c(c1)SC(C)C)OC)N 62a_100000210206_100010294495 [1,1,0,0,0,0|2,0,0]=4 496 B15R1.717 COc1cc(c(c(c1)SC(C)C)OC)N 62a_100010294495_100000210206 [1,1,0,0,0,0|2,0,0]=4 497 B15R1.717 COc1cc(c(c(c1)SC(C)C)OC)O 62a_100000210206_200020900881 [1,1,0,0,0,0|2,0,0]=4 498 B15R1.1870 COc1ccc(c(c1F)SC(C)C)OC 62a_100000210206_200016180952 [1,1,0,0,0,0|2,0,0]=4 499 B15R1.1870 COc1ccc(c(c1F)SC(C)C)OC 62a_200016180952_100000210206 [1,1,0,0,0,0|2,0,0]=4 500 B15R1.1873 COc1ccc(c(c1)C(=O)C(C)C)OC 1458a_100000185243_100000210206 [1,1,0,0,0,0|1,0,1]=4 501 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 2230a_100000221073_100000210206 [1,1,0,0,0,0|2,0,0]=4 502 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 269982a_100000221073_100000210206 [1,1,0,0,0,0|2,0,0]=4 503 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 34a_100000221073_100000210206 [1,1,0,0,0,0|2,0,0]=4 504 B15R1.1910 C#CC(C)Nc1cc(ccc1OC)OC 34a_100000184736_200000035995 [1,1,0,0,0,0|2,0,0]=4 505 B15R1.1910 C#CC(C)Oc1cc(ccc1OC)OC 34a_100000074795_200000035995 [1,1,0,0,0,0|2,0,0]=4 506 B15R1.1910 C#CC(C)Sc1cc(ccc1OC)OC 62a_200000035995_100011215452 [1,1,0,0,0,0|2,0,0]=4 507 B15R1.1910 C=CC(C)Sc1cc(ccc1OC)OC 62a_100011215867_100011215452 [1,1,0,0,0,0|2,0,0]=4 508 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000210414_100000205131 [1,1,0,0,0,0|1,0,1]=4 509 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000210202 [1,1,0,0,0,0|1,0,1]=4 510 B15R1.1910 CCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000758301 [1,1,0,0,0,0|2,0,0]=4 511 B15R1.1910 CCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100011215416 [1,1,0,0,0,0|2,0,0]=4 512 B15R1.1910 CCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100011215416 [1,1,0,0,0,0|2,0,0]=4 513 B15R1.1910 CCC(C)Sc1cc(ccc1OC)OC 62a_100000758301_100011215452 [1,1,0,0,0,0|2,0,0]=4 514 B15R1.1910 CCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000758301 [1,1,0,0,0,0|2,0,0]=4 515 B15R1.1910 CCN(C)Cc1cc(ccc1OC)OC 269982a_100000225621_100011233847 [1,1,0,0,0,0|2,0,0]=4 516 B15R1.1910 CCN(C)Cc1cc(ccc1OC)OC 26a_100000225621_100000074795 [1,1,0,0,0,0|2,0,0]=4 517 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 11a_106832991635_100000212042 [1,1,0,0,0,0|1,0,1]=4 518 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 1626a_100102657272_100000212042 [1,1,0,0,0,0|1,0,1]=4 519 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 240690a_100102657272_100000212042 [1,1,0,0,0,0|1,0,1]=4 520 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 527a_100102657272_100000212042 [1,1,0,0,0,0|1,0,1]=4 521 B15R1.1910 COc1ccc(c(c1)CC(=O)CF)OC 1458a_100000212042_100015361967 [1,1,0,0,0,0|1,0,1]=4 522 B15R1.1910 COc1ccc(c(c1)CC(=O)CO)OC 1458a_100000210174_100000205131 [1,1,0,0,0,0|1,0,1]=4 523 B15R1.1910 COc1ccc(c(c1)NC(C)C#N)OC 2230a_100000184736_100000184139 [1,1,0,0,0,0|1,0,1]=4 524 B15R1.1910 COc1ccc(c(c1)NC(C)CO)OC 2230a_100000184736_100012180447 [1,1,0,0,0,0|2,0,0]=4 525 B15R1.1910 COc1ccc(c(c1)NC(C)CO)OC 34a_100000184736_100012180447 [1,1,0,0,0,0|2,0,0]=4 526 B15R1.1910 COc1ccc(c(c1)OC(C)CO)OC 34a_100000074795_100012180447 [1,1,0,0,0,0|2,0,0]=4 527 B15R1.1910 COc1ccc(c(c1)SC(C)C#N)OC 62a_100000703298_100011215452 [1,1,0,0,0,0|1,0,1]=4 528 B15R1.1910 COc1ccc(c(c1)SC(C)C#N)OC 62a_100011215452_100000703298 [1,1,0,0,0,0|1,0,1]=4 529 B15R1.1910 COc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_100011215452 [1,1,0,0,0,0|2,0,0]=4 530 B15R1.1910 COc1ccc(c(c1)SC(C)OC)OC 62a_100009879195_100011215452 [1,1,0,0,0,0|2,0,0]=4 531 B15R1.1910 COc1ccc(c(c1)SC(C)OC)OC 62a_100011215452_100009879195 [1,1,0,0,0,0|2,0,0]=4 532 B15R1.1910 COc1ccc(c(c1)S[C@H](C)CO)OC 62a_100011215452_100016084084 [1,1,0,0,0,0|2,0,0]=4 533 B15R1.1910 COc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_100011215452 [1,1,0,0,0,0|2,0,0]=4 534 B15R1.4599 COc1ccc(c(c1)NC(C)(C)C)OC 34a_100000184736_100000210625 [1,1,0,0,0,0|2,0,0]=4 535 B15R1.4599 COc1ccc(c(c1)OC(C)(C)C)OC 34a_100000074795_100000210625 [1,1,0,0,0,0|2,0,0]=4 536 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_100011215452 [1,1,0,0,0,0|2,0,0]=4 537 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)OC 62a_100011215452_100000211941 [1,1,0,0,0,0|2,0,0]=4 538 B15R1.5636 CCOc1ccc(cc1CC(=O)C)OC 34a_200000075431_100000210202 [1,1,0,0,0,0|1,0,1]=4 539 B15R1.5636 CCOc1ccc(cc1CC(=O)C)OC 7a_200000075431_100000210202 [1,1,0,0,0,0|1,0,1]=4 540 B15R1.5636 COc1ccc(c(c1)CC(=O)C)OCF 34a_200000075431_100015361967 [1,1,0,0,0,0|1,0,1]=4 541 B15R1.5636 COc1ccc(c(c1)CC(=O)C)OCF 7a_200000075431_100015361967 [1,1,0,0,0,0|1,0,1]=4 542 B15R1.1791 CNC(C)c1cc(c(cc1OC)Br)OC 269862a_106832991636_100012352748 [1,1,0,0,0,0|1,0,0]=3 543 B15R1.27348 CCOc1cc(c(cc1C(=O)C)Br)OC 7a_100009813116_100000210202 [1,1,0,0,0,0|2,0,0]=4 544 B15R1.27348 CNCc1cc(c(cc1C(=O)C)Br)OC 26a_100102657272_100009813116 [1,1,0,0,0,0|2,0,0]=4 545 B15R1.27356 CCSc1cc(c(cc1OC)C=O)OC 62a_100000188581_100000210202 [1,1,0,0,0,0|2,0,0]=4 546 B15R1.27356 CCc1cc(c(cc1OC)CNC)OC 207a_100102657272_200000092834 [1,1,0,0,0,0|2,0,0]=4 547 B15R1.27356 CCc1cc(c(cc1OC)CNC)OC 270004a_106832991635_200000092834 [1,1,0,0,0,0|2,0,0]=4 548 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 207a_100102657272_100000210981 [1,1,0,0,0,0|2,0,0]=4 549 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 270004a_106832991635_100000210981 [1,1,0,0,0,0|2,0,0]=4 550 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 34a_100000749821_200000210301 [1,1,0,0,0,0|2,0,0]=4 551 B15R1.27356 COCc1cc(c(cc1OC)OC)OC 34a_100000199048_200000210301 [1,1,0,0,0,0|2,0,0]=4 552 B15R1.27356 COc1cc(c(cc1CN[13CH3])OC)OC 34a_100000749821_200025704644 [1,1,0,0,0,0|2,0,0]=4 553 B15R1.27356 COc1cc(c(cc1CO[13CH3])OC)OC 34a_100000199048_200025704644 [1,1,0,0,0,0|2,0,0]=4 554 B15R1.27356 COc1cc(c(cc1OC)SC)CCN 62a_200000210301_200000215632 [1,1,0,0,0,0|1,1,0]=4 555 B15R1.27356 COc1cc(c(cc1OC)SC)CCN 62a_200000215632_200000210301 [1,1,0,0,0,0|1,1,0]=4 556 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CCN 62a_200000215632_200025704644 [1,1,0,0,0,0|1,1,0]=4 557 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CCN 62a_200025704644_200000215632 [1,1,0,0,0,0|1,1,0]=4 558 B15R1.38243 C#CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000184674 [1,1,0,0,0,0|0,0,2]=4 559 B15R1.38243 C#CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000038162 [1,1,0,0,0,0|0,0,2]=4 560 B15R1.38243 C#CCSc1cc(c(cc1OC)Br)OC 62a_100000038162_100013799044 [1,1,0,0,0,0|0,0,2]=4 561 B15R1.38243 C=CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100015514636 [1,1,0,0,0,0|0,0,2]=4 562 B15R1.38243 C=CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100015514636 [1,1,0,0,0,0|0,0,2]=4 563 B15R1.38243 C=CCSc1cc(c(cc1OC)Br)OC 62a_100000210623_100013799044 [1,1,0,0,0,0|0,0,2]=4 564 B15R1.38243 C=CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210623 [1,1,0,0,0,0|0,0,2]=4 565 B15R1.38243 CCCCc1cc(c(cc1OC)Br)OC 271570a_100020621405_100013799044 [1,1,0,0,0,0|0,0,0]=2 566 B15R1.38243 CCCCc1cc(c(cc1OC)C)OC 271570a_100020621405_100000039368 [1,1,0,0,0,0|1,0,0]=3 567 B15R1.38243 CCCCc1cc(c(cc1OC)Cl)OC 271570a_100020621405_100000023288 [1,1,0,0,0,0|0,1,0]=3 568 B15R1.38243 CCCCc1cc(c(cc1OC)O)OC 271570a_100020621405_100009816818 [1,1,0,0,0,0|1,0,0]=3 569 B15R1.38243 CCCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210303 [1,1,0,0,0,0|0,1,0]=3 570 B15R1.38243 CCCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210303 [1,1,0,0,0,0|0,1,0]=3 571 B15R1.38243 CCCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210303 [1,1,0,0,0,0|0,0,0]=2 572 B15R1.38243 CCCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210303 [1,1,0,0,0,0|0,0,0]=2 573 B15R1.38243 CCCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210303 [1,1,0,0,0,0|2,0,0]=4 574 B15R1.38243 CCCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210303 [1,1,0,0,0,0|2,0,0]=4 575 B15R1.38243 CCCSc1cc(c(cc1OC)Br)OC 62a_100000210303_100013799044 [1,1,0,0,0,0|0,0,0]=2 576 B15R1.38243 CCCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210303 [1,1,0,0,0,0|0,0,0]=2 577 B15R1.38243 CCCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210303 [1,1,0,0,0,0|1,0,0]=3 578 B15R1.38243 CCCSc1cc(c(cc1OC)C)OC 62a_100000210303_100000039368 [1,1,0,0,0,0|1,0,0]=3 579 B15R1.38243 CCCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210303 [1,1,0,0,0,0|0,1,0]=3 580 B15R1.38243 CCCSc1cc(c(cc1OC)Cl)OC 62a_100000210303_100000023288 [1,1,0,0,0,0|0,1,0]=3 581 B15R1.38243 CCNCc1cc(c(cc1OC)Br)OC 207a_100015525214_100000188581 [1,1,0,0,0,0|0,0,0]=2 582 B15R1.38243 CCNCc1cc(c(cc1OC)Br)OC 270004a_100015525214_100000188581 [1,1,0,0,0,0|0,0,0]=2 583 B15R1.38243 CCNCc1cc(c(cc1OC)C)OC 207a_100015525214_100000079178 [1,1,0,0,0,0|1,0,0]=3 584 B15R1.38243 CCNCc1cc(c(cc1OC)C)OC 270004a_100015525214_100000079178 [1,1,0,0,0,0|1,0,0]=3 585 B15R1.38243 CCNCc1cc(c(cc1OC)Cl)OC 207a_100015525214_100010168916 [1,1,0,0,0,0|0,1,0]=3 586 B15R1.38243 CCNCc1cc(c(cc1OC)Cl)OC 270004a_100015525214_100010168916 [1,1,0,0,0,0|0,1,0]=3 587 B15R1.38243 CCNCc1cc(c(cc1OC)I)OC 207a_100015525214_200010262236 [1,1,0,0,0,0|0,1,0]=3 588 B15R1.38243 CCNCc1cc(c(cc1OC)I)OC 270004a_100015525214_200010262236 [1,1,0,0,0,0|0,1,0]=3 589 B15R1.38243 CCOCc1cc(c(cc1OC)C)OC 34a_200010309539_100000210202 [1,1,0,0,0,0|1,0,0]=3 590 B15R1.38243 CCOCc1cc(c(cc1OC)C)OC 7a_200010309539_100000210202 [1,1,0,0,0,0|1,0,0]=3 591 B15R1.38243 COCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000766300 [1,1,0,0,0,0|1,1,0]=4 592 B15R1.38243 COCSc1cc(c(cc1OC)Br)OC 62a_100000766300_100013799044 [1,1,0,0,0,0|1,0,0]=3 593 B15R1.38243 COCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000766300 [1,1,0,0,0,0|1,0,0]=3 594 B15R1.38243 COCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000766300 [1,1,0,0,0,0|2,0,0]=4 595 B15R1.38243 COCSc1cc(c(cc1OC)C)OC 62a_100000766300_100000039368 [1,1,0,0,0,0|2,0,0]=4 596 B15R1.38243 COCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000766300 [1,1,0,0,0,0|1,1,0]=4 597 B15R1.38243 COCSc1cc(c(cc1OC)Cl)OC 62a_100000766300_100000023288 [1,1,0,0,0,0|1,1,0]=4 598 B15R1.38243 COc1cc(c(cc1Br)OC)OCC#N 7a_100009816818_100011215382 [1,1,0,0,0,0|0,0,2]=4 599 B15R1.38243 COc1cc(c(cc1Br)OC)OCC=O 34a_100009816818_200009817547 [1,1,0,0,0,0|1,0,1]=4 600 B15R1.38243 COc1cc(c(cc1Br)OC)OCC=O 7a_100009816818_200015260668 [1,1,0,0,0,0|1,0,1]=4 601 B15R1.38243 COc1cc(c(cc1Br)OC)OCCF 34a_100009816818_100011217306 [1,1,0,0,0,0|1,0,0]=3 602 B15R1.38243 COc1cc(c(cc1Br)OC)OCCF 7a_100009816818_100011217306 [1,1,0,0,0,0|1,0,0]=3 603 B15R1.38243 COc1cc(c(cc1Br)OC)OCCO 34a_100009816818_100000211926 [1,1,0,0,0,0|1,0,0]=3 604 B15R1.38243 COc1cc(c(cc1Br)OC)OCCO 7a_100009816818_100000211926 [1,1,0,0,0,0|1,0,0]=3 605 B15R1.38243 COc1cc(c(cc1Br)OC)OCSC 34a_100009816818_100011218213 [1,1,0,0,0,0|1,0,0]=3 606 B15R1.38243 COc1cc(c(cc1Br)OC)SCC#N 62a_100011215382_100013799044 [1,1,0,0,0,0|0,0,2]=4 607 B15R1.38243 COc1cc(c(cc1Br)OC)SCC#N 62a_100013799044_100011215382 [1,1,0,0,0,0|0,0,2]=4 608 B15R1.38243 COc1cc(c(cc1Br)OC)SCC=O 62a_100013799044_200015260668 [1,1,0,0,0,0|1,0,1]=4 609 B15R1.38243 COc1cc(c(cc1Br)OC)SCC=O 62a_200015260668_100013799044 [1,1,0,0,0,0|1,0,1]=4 610 B15R1.38243 COc1cc(c(cc1Br)OC)SCCF 62a_100011217306_100013799044 [1,1,0,0,0,0|1,0,0]=3 611 B15R1.38243 COc1cc(c(cc1Br)OC)SCCF 62a_100013799044_100011217306 [1,1,0,0,0,0|1,0,0]=3 612 B15R1.38243 COc1cc(c(cc1Br)OC)SCCO 62a_100000211926_100013799044 [1,1,0,0,0,0|1,0,0]=3 613 B15R1.38243 COc1cc(c(cc1Br)OC)SCCO 62a_100013799044_100000211926 [1,1,0,0,0,0|1,0,0]=3 614 B15R1.38243 COc1cc(c(cc1Br)OC)SCSC 62a_100011218213_100013799044 [1,1,0,0,0,0|1,0,0]=3 615 B15R1.38243 COc1cc(c(cc1Br)OC)SCSC 62a_100013799044_100011218213 [1,1,0,0,0,0|1,0,0]=3 616 B15R1.38243 COc1cc(c(cc1C)OC)COCF 34a_200010309539_100015361967 [1,1,0,0,0,0|2,0,0]=4 617 B15R1.38243 COc1cc(c(cc1C)OC)COCF 7a_200010309539_100015361967 [1,1,0,0,0,0|2,0,0]=4 618 B15R1.38243 COc1cc(c(cc1C)OC)SCCF 62a_100000039368_100011217306 [1,1,0,0,0,0|2,0,0]=4 619 B15R1.38243 COc1cc(c(cc1C)OC)SCCF 62a_100011217306_100000039368 [1,1,0,0,0,0|2,0,0]=4 620 B15R1.38243 COc1cc(c(cc1C)OC)SCCO 62a_100000039368_100000211926 [1,1,0,0,0,0|2,0,0]=4 621 B15R1.38243 COc1cc(c(cc1C)OC)SCCO 62a_100000211926_100000039368 [1,1,0,0,0,0|2,0,0]=4 622 B15R1.38243 COc1cc(c(cc1C)OC)SCSC 62a_100000039368_100011218213 [1,1,0,0,0,0|2,0,0]=4 623 B15R1.38243 COc1cc(c(cc1C)OC)SCSC 62a_100011218213_100000039368 [1,1,0,0,0,0|2,0,0]=4 624 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCF 2230a_100000179761_100011217306 [1,1,0,0,0,0|1,1,0]=4 625 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCF 34a_100000179761_100011217306 [1,1,0,0,0,0|1,1,0]=4 626 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCO 2230a_100000179761_100000211926 [1,1,0,0,0,0|1,1,0]=4 627 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCO 34a_100000179761_100000211926 [1,1,0,0,0,0|1,1,0]=4 628 B15R1.38243 COc1cc(c(cc1Cl)OC)NCSC 2230a_100000179761_100011218213 [1,1,0,0,0,0|1,1,0]=4 629 B15R1.38243 COc1cc(c(cc1Cl)OC)NCSC 34a_100000179761_100011218213 [1,1,0,0,0,0|1,1,0]=4 630 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCF 62a_100000023288_100011217306 [1,1,0,0,0,0|1,1,0]=4 631 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCF 62a_100011217306_100000023288 [1,1,0,0,0,0|1,1,0]=4 632 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCO 62a_100000023288_100000211926 [1,1,0,0,0,0|1,1,0]=4 633 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCO 62a_100000211926_100000023288 [1,1,0,0,0,0|1,1,0]=4 634 B15R1.38243 COc1cc(c(cc1Cl)OC)SCSC 62a_100000023288_100011218213 [1,1,0,0,0,0|1,1,0]=4 635 B15R1.38243 COc1cc(c(cc1Cl)OC)SCSC 62a_100011218213_100000023288 [1,1,0,0,0,0|1,1,0]=4 636 B17R1.28748 COc1cc(c(cc1Br)C(=O)C)OCC(C)C 7a_100009813116_100000210760 [0,1,0,0,0,1|2,0,0]=4 637 B17R1.28748 COc1cc(c(cc1Br)C(=O)C)OCC(C)O 7a_100009813116_100011218427 [0,1,0,0,0,1|2,0,0]=4 638 B17R1.28748 COc1cc(c(cc1Br)C(=O)C)OC[C@@H](C)O 7a_100009813116_100009817552 [0,1,0,0,0,1|2,0,0]=4 639 B17R1.28784 COc1cc(c(cc1Br)OC)[C@@H](N)CC(C)C 271570a_100015190218_100013799044 [0,1,0,0,0,1|1,0,0]=3 640 B17R1.28784 COc1cc(c(cc1C)OC)[C@@H](N)CC(C)C 271570a_100015190218_100000039368 [0,1,0,0,0,1|2,0,0]=4 641 B17R1.28784 COc1cc(c(cc1Cl)OC)[C@@H](N)CC(C)C 271570a_100015190218_100000023288 [0,1,0,0,0,1|1,1,0]=4 642 B17R1.28784 COc1cc(c(cc1O)OC)[C@@H](N)CC(C)C 271570a_100015190218_100009816818 [0,1,0,0,0,1|2,0,0]=4 643 B17R1.28790 COc1cc(c(cc1Br)OC)CN(C)C(C)C 270004a_200000211004_100000188581 [0,1,0,0,0,1|1,0,0]=3 644 B17R1.28790 COc1cc(c(cc1Br)OC)OC(C)C(=O)C 7a_100009816818_100000179758 [0,1,0,0,0,1|1,0,1]=4 645 B17R1.28790 COc1cc(c(cc1Br)OC)OC(C)C(=O)N 34a_100009816818_100000702099 [0,1,0,0,0,1|1,0,1]=4 646 B17R1.28790 COc1cc(c(cc1Br)OC)OC(C)C(=O)N 7a_100009816818_100000702099 [0,1,0,0,0,1|1,0,1]=4 647 B17R1.28790 COc1cc(c(cc1Br)OC)OC(F)C(=O)N 34a_100009816818_100009813875 [0,1,0,0,0,1|1,0,1]=4 648 B17R1.28790 COc1cc(c(cc1Br)OC)OC(F)C(=O)N 7a_100009816818_100009813875 [0,1,0,0,0,1|1,0,1]=4 649 B17R1.28790 COc1cc(c(cc1Br)OC)SC(C)C(=O)C 62a_100009814033_100013799044 [0,1,0,0,0,1|1,0,1]=4 650 B17R1.28790 COc1cc(c(cc1Br)OC)SC(C)C(=O)C 62a_100013799044_100009814033 [0,1,0,0,0,1|1,0,1]=4 651 B17R1.28790 COc1cc(c(cc1Br)OC)SC(C)C(=O)N 62a_100000702099_100013799044 [0,1,0,0,0,1|1,0,1]=4 652 B17R1.28790 COc1cc(c(cc1Br)OC)SC(C)C(=O)N 62a_100013799044_100000702099 [0,1,0,0,0,1|1,0,1]=4 653 B17R1.28790 COc1cc(c(cc1Br)OC)SC(F)C(=O)N 62a_100009813875_100013799044 [0,1,0,0,0,1|1,0,1]=4 654 B17R1.28790 COc1cc(c(cc1Br)OC)SC(F)C(=O)N 62a_100013799044_100009813875 [0,1,0,0,0,1|1,0,1]=4 655 B17R1.28790 COc1cc(c(cc1C)OC)CN(C)C(C)C 270004a_200000211004_100000079178 [0,1,0,0,0,1|2,0,0]=4 656 B17R1.28790 COc1cc(c(cc1Cl)OC)CN(C)C(C)C 270004a_200000211004_100010168916 [0,1,0,0,0,1|1,1,0]=4 657 B17R1.28790 COc1cc(c(cc1I)OC)CN(C)C(C)C 270004a_200000211004_200010262236 [0,1,0,0,0,1|1,1,0]=4 658 B17R1.28810 C#CC(C)NCc1cc(c(cc1OC)Br)OC 270004a_100000707721_100000188581 [0,1,0,0,0,1|1,0,0]=3 659 B17R1.28810 C#CC(C)NCc1cc(c(cc1OC)C)OC 270004a_100000707721_100000079178 [0,1,0,0,0,1|2,0,0]=4 660 B17R1.28810 C#CC(C)NCc1cc(c(cc1OC)Cl)OC 270004a_100000707721_100010168916 [0,1,0,0,0,1|1,1,0]=4 661 B17R1.28810 C#CC(C)NCc1cc(c(cc1OC)I)OC 270004a_100000707721_200010262236 [0,1,0,0,0,1|1,1,0]=4 662 B17R1.28810 C#CC(C)OCc1cc(c(cc1OC)C)OC 34a_200010309539_200000035995 [0,1,0,0,0,1|2,0,0]=4 663 B17R1.28810 C=CC(O)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000730141 [0,1,0,0,0,1|1,0,1]=4 664 B17R1.28810 C=CC(O)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000730141 [0,1,0,0,0,1|1,0,1]=4 665 B17R1.28810 C=CC(O)CSc1cc(c(cc1OC)Br)OC 62a_100000730141_100013799044 [0,1,0,0,0,1|1,0,1]=4 666 B17R1.28810 C=CC(O)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000730141 [0,1,0,0,0,1|1,0,1]=4 667 B17R1.28810 CCC(=O)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000747405 [0,1,0,0,0,1|1,0,1]=4 668 B17R1.28810 CCC(=O)CSc1cc(c(cc1OC)Br)OC 62a_100000747405_100013799044 [0,1,0,0,0,1|1,0,1]=4 669 B17R1.28810 CCC(=O)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000747405 [0,1,0,0,0,1|1,0,1]=4 670 B17R1.28810 CCC(C)CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000748023 [0,1,0,0,0,1|1,1,0]=4 671 B17R1.28810 CCC(C)CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000748023 [0,1,0,0,0,1|1,1,0]=4 672 B17R1.28810 CCC(C)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000748023 [0,1,0,0,0,1|1,0,0]=3 673 B17R1.28810 CCC(C)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000748023 [0,1,0,0,0,1|1,0,0]=3 674 B17R1.28810 CCC(C)CSc1cc(c(cc1OC)Br)OC 62a_100000748023_100013799044 [0,1,0,0,0,1|1,0,0]=3 675 B17R1.28810 CCC(C)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000748023 [0,1,0,0,0,1|1,0,0]=3 676 B17R1.28810 CCC(C)CSc1cc(c(cc1OC)C)OC 62a_100000039368_100000748023 [0,1,0,0,0,1|2,0,0]=4 677 B17R1.28810 CCC(C)CSc1cc(c(cc1OC)C)OC 62a_100000748023_100000039368 [0,1,0,0,0,1|2,0,0]=4 678 B17R1.28810 CCC(C)CSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000748023 [0,1,0,0,0,1|1,1,0]=4 679 B17R1.28810 CCC(C)CSc1cc(c(cc1OC)Cl)OC 62a_100000748023_100000023288 [0,1,0,0,0,1|1,1,0]=4 680 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)Br)OC 207a_100000209981_100000188581 [0,1,0,0,0,1|1,0,0]=3 681 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)Br)OC 270004a_100000209981_100000188581 [0,1,0,0,0,1|1,0,0]=3 682 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)C)OC 207a_100000209981_100000079178 [0,1,0,0,0,1|2,0,0]=4 683 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)C)OC 270004a_100000209981_100000079178 [0,1,0,0,0,1|2,0,0]=4 684 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)Cl)OC 207a_100000209981_100010168916 [0,1,0,0,0,1|1,1,0]=4 685 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)Cl)OC 270004a_100000209981_100010168916 [0,1,0,0,0,1|1,1,0]=4 686 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)I)OC 207a_100000209981_200010262236 [0,1,0,0,0,1|1,1,0]=4 687 B17R1.28810 CCC(C)NCc1cc(c(cc1OC)I)OC 270004a_100000209981_200010262236 [0,1,0,0,0,1|1,1,0]=4 688 B17R1.28810 CCC(C)OCc1cc(c(cc1OC)C)OC 34a_200010309539_100011215416 [0,1,0,0,0,1|2,0,0]=4 689 B17R1.28810 CCC(C)OCc1cc(c(cc1OC)C)OC 7a_200010309539_100000758301 [0,1,0,0,0,1|2,0,0]=4 690 B17R1.28810 CCC(O)CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100011218378 [0,1,0,0,0,1|1,1,0]=4 691 B17R1.28810 CCC(O)CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100011218378 [0,1,0,0,0,1|1,1,0]=4 692 B17R1.28810 CCC(O)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100011218378 [0,1,0,0,0,1|1,0,0]=3 693 B17R1.28810 CCC(O)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100011218378 [0,1,0,0,0,1|1,0,0]=3 694 B17R1.28810 CCC(O)CSc1cc(c(cc1OC)Br)OC 62a_100011218378_100013799044 [0,1,0,0,0,1|1,0,0]=3 695 B17R1.28810 CCC(O)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100011218378 [0,1,0,0,0,1|1,0,0]=3 696 B17R1.28810 CCC(O)CSc1cc(c(cc1OC)C)OC 62a_100000039368_100011218378 [0,1,0,0,0,1|2,0,0]=4 697 B17R1.28810 CCC(O)CSc1cc(c(cc1OC)C)OC 62a_100011218378_100000039368 [0,1,0,0,0,1|2,0,0]=4 698 B17R1.28810 CCC(O)CSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100011218378 [0,1,0,0,0,1|1,1,0]=4 699 B17R1.28810 CCC(O)CSc1cc(c(cc1OC)Cl)OC 62a_100011218378_100000023288 [0,1,0,0,0,1|1,1,0]=4 700 B17R1.28810 CC[C@H](C)CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100009816398 [0,1,0,0,0,1|1,1,0]=4 701 B17R1.28810 CC[C@H](C)CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100009816398 [0,1,0,0,0,1|1,1,0]=4 702 B17R1.28810 CC[C@H](C)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100009816398 [0,1,0,0,0,1|1,0,0]=3 703 B17R1.28810 CC[C@H](C)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100009816398 [0,1,0,0,0,1|1,0,0]=3 704 B17R1.28810 CC[C@H](C)CSc1cc(c(cc1OC)Br)OC 62a_100009816398_100013799044 [0,1,0,0,0,1|1,0,0]=3 705 B17R1.28810 CC[C@H](C)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100009816398 [0,1,0,0,0,1|1,0,0]=3 706 B17R1.28810 CC[C@H](C)CSc1cc(c(cc1OC)C)OC 62a_100000039368_100009816398 [0,1,0,0,0,1|2,0,0]=4 707 B17R1.28810 CC[C@H](C)CSc1cc(c(cc1OC)C)OC 62a_100009816398_100000039368 [0,1,0,0,0,1|2,0,0]=4 708 B17R1.28810 CC[C@H](C)CSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100009816398 [0,1,0,0,0,1|1,1,0]=4 709 B17R1.28810 CC[C@H](C)CSc1cc(c(cc1OC)Cl)OC 62a_100009816398_100000023288 [0,1,0,0,0,1|1,1,0]=4 710 B17R1.28810 CNC(=O)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000183359 [0,1,0,0,0,1|1,0,1]=4 711 B17R1.28810 CNC(=O)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000183359 [0,1,0,0,0,1|1,0,1]=4 712 B17R1.28810 CNC(=O)CSc1cc(c(cc1OC)Br)OC 62a_100000183359_100013799044 [0,1,0,0,0,1|1,0,1]=4 713 B17R1.28810 CNC(=O)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000183359 [0,1,0,0,0,1|1,0,1]=4 714 B17R1.28810 COC(=O)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000747449 [0,1,0,0,0,1|1,0,1]=4 715 B17R1.28810 COC(=O)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000747449 [0,1,0,0,0,1|1,0,1]=4 716 B17R1.28810 COC(=O)CSc1cc(c(cc1OC)Br)OC 62a_100000747449_100013799044 [0,1,0,0,0,1|1,0,1]=4 717 B17R1.28810 COC(=O)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000747449 [0,1,0,0,0,1|1,0,1]=4 718 B17R1.28810 COc1cc(c(cc1Br)OC)CN[C@H](C)CF 207a_100102880703_100000188581 [0,1,0,0,0,1|1,0,0]=3 719 B17R1.28810 COc1cc(c(cc1Br)OC)CN[C@H](C)CF 270004a_100102880703_100000188581 [0,1,0,0,0,1|1,0,0]=3 720 B17R1.28810 COc1cc(c(cc1Br)OC)CN[C@H](C)CO 207a_100000737577_100000188581 [0,1,0,0,0,1|1,0,0]=3 721 B17R1.28810 COc1cc(c(cc1Br)OC)CN[C@H](C)CO 270004a_100000737577_100000188581 [0,1,0,0,0,1|1,0,0]=3 722 B17R1.28810 COc1cc(c(cc1Br)OC)OCC(O)CO 34a_100009816818_100011219619 [0,1,0,0,0,1|1,0,0]=3 723 B17R1.28810 COc1cc(c(cc1Br)OC)OCC(O)CO 7a_100009816818_100011219619 [0,1,0,0,0,1|1,0,0]=3 724 B17R1.28810 COc1cc(c(cc1Br)OC)OC[C@@H](C)CO 34a_100009816818_100000059175 [0,1,0,0,0,1|1,0,0]=3 725 B17R1.28810 COc1cc(c(cc1Br)OC)OC[C@@H](C)CO 7a_100009816818_100000059175 [0,1,0,0,0,1|1,0,0]=3 726 B17R1.28810 COc1cc(c(cc1Br)OC)OC[C@@H](O)CF 34a_100009816818_100015614560 [0,1,0,0,0,1|1,0,0]=3 727 B17R1.28810 COc1cc(c(cc1Br)OC)OC[C@@H](O)CF 7a_100009816818_100015614560 [0,1,0,0,0,1|1,0,0]=3 728 B17R1.28810 COc1cc(c(cc1Br)OC)OC[C@@H](O)CO 34a_100009816818_100009815848 [0,1,0,0,0,1|1,0,0]=3 729 B17R1.28810 COc1cc(c(cc1Br)OC)OC[C@@H](O)CO 7a_100009816818_100009815848 [0,1,0,0,0,1|1,0,0]=3 730 B17R1.28810 COc1cc(c(cc1Br)OC)SCC(O)CO 62a_100011219619_100013799044 [0,1,0,0,0,1|1,0,0]=3 731 B17R1.28810 COc1cc(c(cc1Br)OC)SCC(O)CO 62a_100013799044_100011219619 [0,1,0,0,0,1|1,0,0]=3 732 B17R1.28810 COc1cc(c(cc1Br)OC)SC[C@@H](C)CO 62a_100000059175_100013799044 [0,1,0,0,0,1|1,0,0]=3 733 B17R1.28810 COc1cc(c(cc1Br)OC)SC[C@@H](C)CO 62a_100013799044_100000059175 [0,1,0,0,0,1|1,0,0]=3 734 B17R1.28810 COc1cc(c(cc1Br)OC)SC[C@@H](O)CF 62a_100013799044_100015614560 [0,1,0,0,0,1|1,0,0]=3 735 B17R1.28810 COc1cc(c(cc1Br)OC)SC[C@@H](O)CF 62a_100015614560_100013799044 [0,1,0,0,0,1|1,0,0]=3 736 B17R1.28810 COc1cc(c(cc1Br)OC)SC[C@@H](O)CO 62a_100009815848_100013799044 [0,1,0,0,0,1|1,0,0]=3 737 B17R1.28810 COc1cc(c(cc1Br)OC)SC[C@@H](O)CO 62a_100013799044_100009815848 [0,1,0,0,0,1|1,0,0]=3 738 B17R1.28810 COc1cc(c(cc1C)OC)CN[C@H](C)CF 207a_100102880703_100000079178 [0,1,0,0,0,1|2,0,0]=4 739 B17R1.28810 COc1cc(c(cc1C)OC)CN[C@H](C)CF 270004a_100102880703_100000079178 [0,1,0,0,0,1|2,0,0]=4 740 B17R1.28810 COc1cc(c(cc1C)OC)CN[C@H](C)CO 207a_100000737577_100000079178 [0,1,0,0,0,1|2,0,0]=4 741 B17R1.28810 COc1cc(c(cc1C)OC)CN[C@H](C)CO 270004a_100000737577_100000079178 [0,1,0,0,0,1|2,0,0]=4 742 B17R1.28810 COc1cc(c(cc1C)OC)COC(C)C#N 7a_200010309539_100000703298 [0,1,0,0,0,1|1,0,1]=4 743 B17R1.28810 COc1cc(c(cc1C)OC)COC(C)CO 34a_200010309539_100012180447 [0,1,0,0,0,1|2,0,0]=4 744 B17R1.28810 COc1cc(c(cc1C)OC)COC(C)CO 7a_200010309539_100012180447 [0,1,0,0,0,1|2,0,0]=4 745 B17R1.28810 COc1cc(c(cc1C)OC)SCC(O)CO 62a_100000039368_100011219619 [0,1,0,0,0,1|2,0,0]=4 746 B17R1.28810 COc1cc(c(cc1C)OC)SCC(O)CO 62a_100011219619_100000039368 [0,1,0,0,0,1|2,0,0]=4 747 B17R1.28810 COc1cc(c(cc1C)OC)SC[C@@H](C)CO 62a_100000039368_100000059175 [0,1,0,0,0,1|2,0,0]=4 748 B17R1.28810 COc1cc(c(cc1C)OC)SC[C@@H](C)CO 62a_100000059175_100000039368 [0,1,0,0,0,1|2,0,0]=4 749 B17R1.28810 COc1cc(c(cc1C)OC)SC[C@@H](O)CF 62a_100000039368_100015614560 [0,1,0,0,0,1|2,0,0]=4 750 B17R1.28810 COc1cc(c(cc1C)OC)SC[C@@H](O)CF 62a_100015614560_100000039368 [0,1,0,0,0,1|2,0,0]=4 751 B17R1.28810 COc1cc(c(cc1C)OC)SC[C@@H](O)CO 62a_100000039368_100009815848 [0,1,0,0,0,1|2,0,0]=4 752 B17R1.28810 COc1cc(c(cc1C)OC)SC[C@@H](O)CO 62a_100009815848_100000039368 [0,1,0,0,0,1|2,0,0]=4 753 B17R1.28810 COc1cc(c(cc1Cl)OC)CN[C@H](C)CF 207a_100102880703_100010168916 [0,1,0,0,0,1|1,1,0]=4 754 B17R1.28810 COc1cc(c(cc1Cl)OC)CN[C@H](C)CF 270004a_100102880703_100010168916 [0,1,0,0,0,1|1,1,0]=4 755 B17R1.28810 COc1cc(c(cc1Cl)OC)CN[C@H](C)CO 207a_100000737577_100010168916 [0,1,0,0,0,1|1,1,0]=4 756 B17R1.28810 COc1cc(c(cc1Cl)OC)CN[C@H](C)CO 270004a_100000737577_100010168916 [0,1,0,0,0,1|1,1,0]=4 757 B17R1.28810 COc1cc(c(cc1Cl)OC)NCC(O)CO 2230a_100000179761_100011219619 [0,1,0,0,0,1|1,1,0]=4 758 B17R1.28810 COc1cc(c(cc1Cl)OC)NCC(O)CO 34a_100000179761_100011219619 [0,1,0,0,0,1|1,1,0]=4 759 B17R1.28810 COc1cc(c(cc1Cl)OC)NC[C@@H](C)CO 2230a_100000179761_100000059175 [0,1,0,0,0,1|1,1,0]=4 760 B17R1.28810 COc1cc(c(cc1Cl)OC)NC[C@@H](C)CO 34a_100000179761_100000059175 [0,1,0,0,0,1|1,1,0]=4 761 B17R1.28810 COc1cc(c(cc1Cl)OC)NC[C@@H](O)CF 2230a_100000179761_100015614560 [0,1,0,0,0,1|1,1,0]=4 762 B17R1.28810 COc1cc(c(cc1Cl)OC)NC[C@@H](O)CF 34a_100000179761_100015614560 [0,1,0,0,0,1|1,1,0]=4 763 B17R1.28810 COc1cc(c(cc1Cl)OC)NC[C@@H](O)CO 2230a_100000179761_100009815848 [0,1,0,0,0,1|1,1,0]=4 764 B17R1.28810 COc1cc(c(cc1Cl)OC)NC[C@@H](O)CO 34a_100000179761_100009815848 [0,1,0,0,0,1|1,1,0]=4 765 B17R1.28810 COc1cc(c(cc1Cl)OC)SCC(O)CO 62a_100000023288_100011219619 [0,1,0,0,0,1|1,1,0]=4 766 B17R1.28810 COc1cc(c(cc1Cl)OC)SCC(O)CO 62a_100011219619_100000023288 [0,1,0,0,0,1|1,1,0]=4 767 B17R1.28810 COc1cc(c(cc1Cl)OC)SC[C@@H](C)CO 62a_100000023288_100000059175 [0,1,0,0,0,1|1,1,0]=4 768 B17R1.28810 COc1cc(c(cc1Cl)OC)SC[C@@H](C)CO 62a_100000059175_100000023288 [0,1,0,0,0,1|1,1,0]=4 769 B17R1.28810 COc1cc(c(cc1Cl)OC)SC[C@@H](O)CF 62a_100000023288_100015614560 [0,1,0,0,0,1|1,1,0]=4 770 B17R1.28810 COc1cc(c(cc1Cl)OC)SC[C@@H](O)CF 62a_100015614560_100000023288 [0,1,0,0,0,1|1,1,0]=4 771 B17R1.28810 COc1cc(c(cc1Cl)OC)SC[C@@H](O)CO 62a_100000023288_100009815848 [0,1,0,0,0,1|1,1,0]=4 772 B17R1.28810 COc1cc(c(cc1Cl)OC)SC[C@@H](O)CO 62a_100009815848_100000023288 [0,1,0,0,0,1|1,1,0]=4 773 B17R1.28810 COc1cc(c(cc1I)OC)CN[C@H](C)CF 207a_100102880703_200010262236 [0,1,0,0,0,1|1,1,0]=4 774 B17R1.28810 COc1cc(c(cc1I)OC)CN[C@H](C)CF 270004a_100102880703_200010262236 [0,1,0,0,0,1|1,1,0]=4 775 B17R1.28810 COc1cc(c(cc1I)OC)CN[C@H](C)CO 207a_100000737577_200010262236 [0,1,0,0,0,1|1,1,0]=4 776 B17R1.28810 COc1cc(c(cc1I)OC)CN[C@H](C)CO 270004a_100000737577_200010262236 [0,1,0,0,0,1|1,1,0]=4 777 B17R1.157206 COc1cc(c(cc1Br)OC)C=CC(C)(C)C 271570a_100102527731_100013799044 [0,1,0,0,0,1|1,0,1]=4 778 B17R1.157206 COc1cc(c(cc1Br)OC)C=CC(C)(C)O 271570a_200016258132_100013799044 [0,1,0,0,0,1|1,0,1]=4 779 B17R1.157206 COc1cc(c(cc1Br)OC)CNC(C)(C)C 207a_100000715429_100000188581 [0,1,0,0,0,1|1,0,0]=3 780 B17R1.157206 COc1cc(c(cc1Br)OC)OCC(C)(C)C 34a_100009816818_100011219605 [0,1,0,0,0,1|1,0,0]=3 781 B17R1.157206 COc1cc(c(cc1Br)OC)OCC(C)(C)F 34a_100009816818_100011997219 [0,1,0,0,0,1|1,0,0]=3 782 B17R1.157206 COc1cc(c(cc1Br)OC)OCC(C)(C)O 34a_100009816818_100000764493 [0,1,0,0,0,1|1,0,0]=3 783 B17R1.157206 COc1cc(c(cc1Br)OC)OCC(C)(C)O 7a_100009816818_100000764493 [0,1,0,0,0,1|1,0,0]=3 784 B17R1.157206 COc1cc(c(cc1Br)OC)OC[Si](C)(C)C 7a_100009816818_100000233785 [0,1,0,0,0,1|1,1,0]=4 785 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(C)(C)C 62a_100011219605_100013799044 [0,1,0,0,0,1|1,0,0]=3 786 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(C)(C)C 62a_100013799044_100011219605 [0,1,0,0,0,1|1,0,0]=3 787 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(C)(C)F 62a_100011997219_100013799044 [0,1,0,0,0,1|1,0,0]=3 788 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(C)(C)F 62a_100013799044_100011997219 [0,1,0,0,0,1|1,0,0]=3 789 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(C)(C)O 62a_100000764493_100013799044 [0,1,0,0,0,1|1,0,0]=3 790 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(C)(C)O 62a_100013799044_100000764493 [0,1,0,0,0,1|1,0,0]=3 791 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(F)(F)F 62a_100000763148_100013799044 [0,1,0,0,0,1|2,0,0]=4 792 B17R1.157206 COc1cc(c(cc1Br)OC)SCC(F)(F)F 62a_100013799044_100000763148 [0,1,0,0,0,1|2,0,0]=4 793 B17R1.157206 COc1cc(c(cc1Br)OC)SCS(=O)(=O)N 62a_100000741382_100013799044 [0,1,0,0,0,1|2,0,0]=4 794 B17R1.157206 COc1cc(c(cc1Br)OC)SCS(=O)(=O)N 62a_100013799044_100000741382 [0,1,0,0,0,1|2,0,0]=4 795 B17R1.157206 COc1cc(c(cc1Br)OC)SC[N+](C)(C)C 62a_100013799044_200000036245 [0,1,0,0,0,1|2,0,0]=4 796 B17R1.157206 COc1cc(c(cc1Br)OC)SC[N+](C)(C)C 62a_200000036245_100013799044 [0,1,0,0,0,1|2,0,0]=4 797 B17R1.157206 COc1cc(c(cc1Br)OC)SC[Si](C)(C)C 62a_100000037933_100013799044 [0,1,0,0,0,1|1,1,0]=4 798 B17R1.157206 COc1cc(c(cc1Br)OC)SC[Si](C)(C)C 62a_100013799044_100000037933 [0,1,0,0,0,1|1,1,0]=4 799 B17R1.157206 COc1cc(c(cc1C)OC)CNC(C)(C)C 207a_100000715429_100000079178 [0,1,0,0,0,1|2,0,0]=4 800 B17R1.157206 COc1cc(c(cc1C)OC)COC(C)(C)C 34a_200010309539_100000210625 [0,1,0,0,0,1|2,0,0]=4 801 B17R1.157206 COc1cc(c(cc1C)OC)SCC(C)(C)C 62a_100000039368_100011219605 [0,1,0,0,0,1|2,0,0]=4 802 B17R1.157206 COc1cc(c(cc1C)OC)SCC(C)(C)C 62a_100011219605_100000039368 [0,1,0,0,0,1|2,0,0]=4 803 B17R1.157206 COc1cc(c(cc1C)OC)SCC(C)(C)F 62a_100000039368_100011997219 [0,1,0,0,0,1|2,0,0]=4 804 B17R1.157206 COc1cc(c(cc1C)OC)SCC(C)(C)F 62a_100011997219_100000039368 [0,1,0,0,0,1|2,0,0]=4 805 B17R1.157206 COc1cc(c(cc1C)OC)SCC(C)(C)O 62a_100000039368_100000764493 [0,1,0,0,0,1|2,0,0]=4 806 B17R1.157206 COc1cc(c(cc1C)OC)SCC(C)(C)O 62a_100000764493_100000039368 [0,1,0,0,0,1|2,0,0]=4 807 B17R1.157206 COc1cc(c(cc1Cl)OC)CNC(C)(C)C 207a_100000715429_100010168916 [0,1,0,0,0,1|1,1,0]=4 808 B17R1.157206 COc1cc(c(cc1Cl)OC)NCC(C)(C)C 34a_100000179761_100011219605 [0,1,0,0,0,1|1,1,0]=4 809 B17R1.157206 COc1cc(c(cc1Cl)OC)NCC(C)(C)F 34a_100000179761_100011997219 [0,1,0,0,0,1|1,1,0]=4 810 B17R1.157206 COc1cc(c(cc1Cl)OC)NCC(C)(C)O 34a_100000179761_100000764493 [0,1,0,0,0,1|1,1,0]=4 811 B17R1.157206 COc1cc(c(cc1Cl)OC)SCC(C)(C)C 62a_100000023288_100011219605 [0,1,0,0,0,1|1,1,0]=4 812 B17R1.157206 COc1cc(c(cc1Cl)OC)SCC(C)(C)C 62a_100011219605_100000023288 [0,1,0,0,0,1|1,1,0]=4 813 B17R1.157206 COc1cc(c(cc1Cl)OC)SCC(C)(C)F 62a_100000023288_100011997219 [0,1,0,0,0,1|1,1,0]=4 814 B17R1.157206 COc1cc(c(cc1Cl)OC)SCC(C)(C)F 62a_100011997219_100000023288 [0,1,0,0,0,1|1,1,0]=4 815 B17R1.157206 COc1cc(c(cc1Cl)OC)SCC(C)(C)O 62a_100000023288_100000764493 [0,1,0,0,0,1|1,1,0]=4 816 B17R1.157206 COc1cc(c(cc1Cl)OC)SCC(C)(C)O 62a_100000764493_100000023288 [0,1,0,0,0,1|1,1,0]=4 817 B17R1.157206 COc1cc(c(cc1I)OC)CNC(C)(C)C 207a_100000715429_200010262236 [0,1,0,0,0,1|1,1,0]=4 818 B17R1.164004 CCc1cc(c(cc1OC)CNC(C)C)OC 207a_100138425928_200000092834 [0,1,0,0,0,1|2,0,0]=4 819 B17R1.164004 COc1cc(c(cc1C=O)OC)SCC(C)C 62a_100000188581_100000210760 [0,1,0,0,0,1|2,0,0]=4 820 B17R1.164004 COc1cc(c(cc1C=O)OC)SCC(C)O 62a_100000188581_100011218427 [0,1,0,0,0,1|2,0,0]=4 821 B17R1.164004 COc1cc(c(cc1C=O)OC)SC[C@@H](C)O 62a_100000188581_100009817552 [0,1,0,0,0,1|2,0,0]=4 822 B17R1.164004 COc1cc(c(cc1CNC(C)C)OC)OC 207a_100138425928_100000210981 [0,1,0,0,0,1|2,0,0]=4 823 B17R1.164004 COc1cc(c(cc1CNC(C)C)OC)OC 34a_100000749821_100000210206 [0,1,0,0,0,1|2,0,0]=4 824 B17R1.164004 COc1cc(c(cc1COC(C)C)OC)OC 34a_100000199048_100000210206 [0,1,0,0,0,1|2,0,0]=4 825 B17R1.164125 C#CC(C)(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100000038118 [0,2,0,0,0,0|2,0,0]=4 826 B17R1.164125 C#CC(C)(C)Sc1cc(c(cc1OC)Br)OC 62a_100000038118_100013799044 [0,2,0,0,0,0|2,0,0]=4 827 B17R1.164125 C#CC(C)(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000038118 [0,2,0,0,0,0|2,0,0]=4 828 B17R1.164125 CCC(C)(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210677 [0,2,0,0,0,0|2,0,0]=4 829 B17R1.164125 CCC(C)(C)Sc1cc(c(cc1OC)Br)OC 62a_100000032637_100013799044 [0,2,0,0,0,0|2,0,0]=4 830 B17R1.164125 CCC(C)(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000032637 [0,2,0,0,0,0|2,0,0]=4 831 B17R1.164125 COc1cc(c(cc1Br)OC)OC(C)(C)C#N 34a_100009816818_100011162410 [0,2,0,0,0,0|1,0,1]=4 832 B17R1.164125 COc1cc(c(cc1Br)OC)OC(C)(C)C#N 7a_100009816818_100011162410 [0,2,0,0,0,0|1,0,1]=4 833 B17R1.164125 COc1cc(c(cc1Br)OC)SC(C)(C)C#N 62a_100011162410_100013799044 [0,2,0,0,0,0|1,0,1]=4 834 B17R1.164125 COc1cc(c(cc1Br)OC)SC(C)(C)C#N 62a_100013799044_100011162410 [0,2,0,0,0,0|1,0,1]=4 835 B17R1.164125 COc1cc(c(cc1Br)OC)SC(F)(F)CO 62a_100011217949_100013799044 [0,2,0,0,0,0|2,0,0]=4 836 B17R1.164125 COc1cc(c(cc1Br)OC)SC(F)(F)CO 62a_100013799044_100011217949 [0,2,0,0,0,0|2,0,0]=4 837 B17R1.28812 CCC(CC)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210505 [0,2,0,0,0,0|2,0,0]=4 838 B17R1.28812 CCC(CC)Sc1cc(c(cc1OC)Br)OC 62a_100000210505_100013799044 [0,2,0,0,0,0|2,0,0]=4 839 B17R1.28812 CCC(CC)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210505 [0,2,0,0,0,0|2,0,0]=4 840 B17R1.28812 CCN(CC)Cc1cc(c(cc1OC)Br)OC 270004a_100000724800_100000188581 [0,2,0,0,0,0|2,0,0]=4 841 B17R1.173467 C#CCN(C)Cc1cc(c(cc1OC)Br)OC 26a_100000225692_100009816818 [0,2,0,0,0,0|2,0,0]=4 842 B17R1.173467 C#CCN(C)Cc1cc(c(cc1OC)Br)OC 270004a_100000225692_100000188581 [0,2,0,0,0,0|2,0,0]=4 843 B17R1.173467 C=CCN(C)Cc1cc(c(cc1OC)Br)OC 26a_100000225617_100009816818 [0,2,0,0,0,0|2,0,0]=4 844 B17R1.173467 C=CCN(C)Cc1cc(c(cc1OC)Br)OC 270004a_100000225617_100000188581 [0,2,0,0,0,0|2,0,0]=4 845 B17R1.173467 CCCC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100000766640 [0,2,0,0,0,0|2,0,0]=4 846 B17R1.173467 CCCC(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000766640 [0,2,0,0,0,0|2,0,0]=4 847 B17R1.173467 CCCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100000766640_100013799044 [0,2,0,0,0,0|2,0,0]=4 848 B17R1.173467 CCCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000766640 [0,2,0,0,0,0|2,0,0]=4 849 B17R1.173467 CCCN(C)Cc1cc(c(cc1OC)Br)OC 26a_100000747261_100009816818 [0,2,0,0,0,0|2,0,0]=4 850 B17R1.173467 CCCN(C)Cc1cc(c(cc1OC)Br)OC 270004a_100000747261_100000188581 [0,2,0,0,0,0|2,0,0]=4 851 B17R1.173467 COCC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100000765312 [0,2,0,0,0,0|2,0,0]=4 852 B17R1.173467 COCC(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000765312 [0,2,0,0,0,0|2,0,0]=4 853 B17R1.173467 COCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100000765312_100013799044 [0,2,0,0,0,0|2,0,0]=4 854 B17R1.173467 COCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000765312 [0,2,0,0,0,0|2,0,0]=4 855 B17R1.173467 COc1cc(c(cc1Br)OC)CN(C)CC#N 26a_100000748184_100009816818 [0,2,0,0,0,0|1,0,1]=4 856 B17R1.173467 COc1cc(c(cc1Br)OC)CN(C)CCO 26a_100000210263_100009816818 [0,2,0,0,0,0|2,0,0]=4 857 B17R1.173467 COc1cc(c(cc1Br)OC)CN(C)CCO 270004a_100000210263_100000188581 [0,2,0,0,0,0|2,0,0]=4 858 B17R1.173467 COc1cc(c(cc1Br)OC)OC(C)CC#N 7a_100009816818_100009813641 [0,2,0,0,0,0|1,0,1]=4 859 B17R1.173467 COc1cc(c(cc1Br)OC)OC(C)CCO 34a_100009816818_100009893172 [0,2,0,0,0,0|2,0,0]=4 860 B17R1.173467 COc1cc(c(cc1Br)OC)OC(C)CCO 7a_100009816818_100009893172 [0,2,0,0,0,0|2,0,0]=4 861 B17R1.173467 COc1cc(c(cc1Br)OC)SC(C)CC#N 62a_100009813641_100013799044 [0,2,0,0,0,0|1,0,1]=4 862 B17R1.173467 COc1cc(c(cc1Br)OC)SC(C)CC#N 62a_100013799044_100009813641 [0,2,0,0,0,0|1,0,1]=4 863 B17R1.173467 COc1cc(c(cc1Br)OC)SC(C)CCO 62a_100009893172_100013799044 [0,2,0,0,0,0|2,0,0]=4 864 B17R1.173467 COc1cc(c(cc1Br)OC)SC(C)CCO 62a_100013799044_100009893172 [0,2,0,0,0,0|2,0,0]=4 865 B17R1.28746 COC(=O)c1cc(c(cc1OC(C)C)OC)Br 34a_200010007936_100000210206 [0,2,0,0,0,0|2,0,0]=4 866 B17R1.28746 COC(=O)c1cc(c(cc1OC(C)C)OC)Br 7a_200010007936_100000210206 [0,2,0,0,0,0|2,0,0]=4 867 B15R2.2701 COc1cc(c(cc1Br)C)NC2CC2 34a_100010232211_100000211595 [1,0,0,1,0,0|2,0,0]=4 868 B15R2.2707 COc1cc(c(cc1NC2CC2)C)Br 34a_100010141321_100000211595 [1,0,0,1,0,0|2,0,0]=4 869 B15R2.5265 COc1ccc(c(c1)NC2CC2)OC 34a_100000184736_100000211595 [1,0,0,1,0,0|2,0,0]=4 870 B15R2.5265 COc1ccc(c(c1)OC2CC2)OC 34a_100000074795_100000211595 [1,0,0,1,0,0|2,0,0]=4 871 B15R2.5265 COc1ccc(c(c1)SC2CC2)OC 62a_100011215452_100000211595 [1,0,0,1,0,0|2,0,0]=4 872 B15R2.2215 CCNc1cc2c(cc1OC)OCO2 2230a_200000088178_100000210202 [1,0,0,1,0,0|2,0,0]=4 873 B15R2.2215 CCNc1cc2c(cc1OC)OCO2 34a_200000088178_100000210202 [1,0,0,1,0,0|2,0,0]=4 874 B15R2.2215 CNCc1cc2c(cc1OC)OCO2 207a_100102657272_100000186743 [1,0,0,1,0,0|2,0,0]=4 875 B15R2.2215 CNCc1cc2c(cc1OC)OCO2 270004a_106832991635_100000186743 [1,0,0,1,0,0|2,0,0]=4 876 B15R2.2703 COc1cc(c(cc1Br)OC)C2CC2 271570a_100011220607_100013799044 [1,0,0,1,0,0|0,0,0]=2 877 B15R2.2703 COc1cc(c(cc1C)OC)C2CC2 271570a_100011220607_100000039368 [1,0,0,1,0,0|1,0,0]=3 878 B15R2.2703 COc1cc(c(cc1Cl)OC)C2CC2 271570a_100011220607_100000023288 [1,0,0,1,0,0|0,1,0]=3 879 B15R2.2703 COc1cc(c(cc1O)OC)C2CC2 271570a_100011220607_100009816818 [1,0,0,1,0,0|1,0,0]=3 880 B15R2.91518 CNC1CCc2c1cc(c(c2)Br)OC 269862a_106832991636_100010233615 [1,0,0,1,0,0|2,0,0]=4 881 B17R2.1199 COc1cc2c(cc1CNC(C)C)OCO2 207a_100138425928_100000186743 [0,0,0,1,0,1|2,0,0]=4 882 B17R2.1199 COc1cc2c(cc1NCC(C)C)OCO2 2230a_200000088178_100000210760 [0,0,0,1,0,1|2,0,0]=4 883 B17R2.1199 COc1cc2c(cc1NCC(C)C)OCO2 34a_200000088178_100000210624 [0,0,0,1,0,1|2,0,0]=4 884 B17R2.1199 COc1cc2c(cc1NCC(C)O)OCO2 2230a_200000088178_100011218427 [0,0,0,1,0,1|2,0,0]=4 885 B17R2.1199 COc1cc2c(cc1NCC(C)O)OCO2 34a_200000088178_100011218427 [0,0,0,1,0,1|2,0,0]=4 886 B17R2.1199 COc1cc2c(cc1NC[C@@H](C)O)OCO2 2230a_200000088178_100009817552 [0,0,0,1,0,1|2,0,0]=4 887 B17R2.1199 COc1cc2c(cc1NC[C@@H](C)O)OCO2 34a_200000088178_100009817552 [0,0,0,1,0,1|2,0,0]=4 888 B17R2.72061 COc1cc(c(cc1Br)OC)C#CC2CC2 271570a_200009880635_100013799044 [0,0,0,1,0,1|1,0,1]=4 889 B17R2.72061 COc1cc(c(cc1Br)OC)C=CC2CC2 271570a_100102526188_100013799044 [0,0,0,1,0,1|1,0,1]=4 890 B17R2.72061 COc1cc(c(cc1Br)OC)OCC2CC2 34a_100009816818_100000742324 [0,0,0,1,0,1|1,0,0]=3 891 B17R2.72061 COc1cc(c(cc1Br)OC)OCC2CC2 7a_100009816818_100000742324 [0,0,0,1,0,1|1,0,0]=3 892 B17R2.72061 COc1cc(c(cc1Br)OC)OCC2CO2 34a_100009816818_102125554688 [0,0,0,1,0,1|1,0,0]=3 893 B17R2.72061 COc1cc(c(cc1Br)OC)OCC2CO2 7a_100009816818_102125554688 [0,0,0,1,0,1|1,0,0]=3 894 B17R2.72061 COc1cc(c(cc1Br)OC)OCC2CS2 7a_100009816818_100000031435 [0,0,0,1,0,1|1,0,0]=3 895 B17R2.72061 COc1cc(c(cc1Br)OC)OC[C@@H]2CO2 7a_100009816818_100000745022 [0,0,0,1,0,1|1,0,0]=3 896 B17R2.72061 COc1cc(c(cc1Br)OC)SCC2CC2 62a_100000756562_100013799044 [0,0,0,1,0,1|1,0,0]=3 897 B17R2.72061 COc1cc(c(cc1Br)OC)SCC2CC2 62a_100013799044_100000742324 [0,0,0,1,0,1|1,0,0]=3 898 B17R2.72061 COc1cc(c(cc1Br)OC)SCC2CO2 62a_100013799044_102125554688 [0,0,0,1,0,1|1,0,0]=3 899 B17R2.72061 COc1cc(c(cc1Br)OC)SCC2CO2 62a_102125554688_100013799044 [0,0,0,1,0,1|1,0,0]=3 900 B17R2.72061 COc1cc(c(cc1Br)OC)SCC2CS2 62a_100000031435_100013799044 [0,0,0,1,0,1|1,0,0]=3 901 B17R2.72061 COc1cc(c(cc1Br)OC)SCC2CS2 62a_100013799044_100000031435 [0,0,0,1,0,1|1,0,0]=3 902 B17R2.72061 COc1cc(c(cc1Br)OC)SC[C@@H]2CO2 62a_100000745022_100013799044 [0,0,0,1,0,1|1,0,0]=3 903 B17R2.72061 COc1cc(c(cc1Br)OC)SC[C@@H]2CO2 62a_100013799044_100000745022 [0,0,0,1,0,1|1,0,0]=3 904 B17R2.72061 COc1cc(c(cc1C)OC)COC2CC2 34a_200010309539_100000211595 [0,0,0,1,0,1|2,0,0]=4 905 B17R2.72061 COc1cc(c(cc1C)OC)SCC2CC2 62a_100000039368_100000742324 [0,0,0,1,0,1|2,0,0]=4 906 B17R2.72061 COc1cc(c(cc1C)OC)SCC2CC2 62a_100000756562_100000039368 [0,0,0,1,0,1|2,0,0]=4 907 B17R2.72061 COc1cc(c(cc1C)OC)SCC2CO2 62a_100000039368_102125554688 [0,0,0,1,0,1|2,0,0]=4 908 B17R2.72061 COc1cc(c(cc1C)OC)SCC2CO2 62a_102125554688_100000039368 [0,0,0,1,0,1|2,0,0]=4 909 B17R2.72061 COc1cc(c(cc1C)OC)SCC2CS2 62a_100000031435_100000039368 [0,0,0,1,0,1|2,0,0]=4 910 B17R2.72061 COc1cc(c(cc1C)OC)SCC2CS2 62a_100000039368_100000031435 [0,0,0,1,0,1|2,0,0]=4 911 B17R2.72061 COc1cc(c(cc1C)OC)SC[C@@H]2CO2 62a_100000039368_100000745022 [0,0,0,1,0,1|2,0,0]=4 912 B17R2.72061 COc1cc(c(cc1C)OC)SC[C@@H]2CO2 62a_100000745022_100000039368 [0,0,0,1,0,1|2,0,0]=4 913 B17R2.72061 COc1cc(c(cc1Cl)OC)NCC2CC2 2230a_100000179761_100000742324 [0,0,0,1,0,1|1,1,0]=4 914 B17R2.72061 COc1cc(c(cc1Cl)OC)NCC2CC2 34a_100000179761_100000742324 [0,0,0,1,0,1|1,1,0]=4 915 B17R2.72061 COc1cc(c(cc1Cl)OC)NCC2CO2 2230a_100000179761_100011216344 [0,0,0,1,0,1|1,1,0]=4 916 B17R2.72061 COc1cc(c(cc1Cl)OC)NCC2CO2 34a_100000179761_102125554688 [0,0,0,1,0,1|1,1,0]=4 917 B17R2.72061 COc1cc(c(cc1Cl)OC)SCC2CC2 62a_100000023288_100000742324 [0,0,0,1,0,1|1,1,0]=4 918 B17R2.72061 COc1cc(c(cc1Cl)OC)SCC2CC2 62a_100000756562_100000023288 [0,0,0,1,0,1|1,1,0]=4 919 B17R2.72061 COc1cc(c(cc1Cl)OC)SCC2CO2 62a_100000023288_102125554688 [0,0,0,1,0,1|1,1,0]=4 920 B17R2.72061 COc1cc(c(cc1Cl)OC)SCC2CO2 62a_102125554688_100000023288 [0,0,0,1,0,1|1,1,0]=4 921 B17R2.72061 COc1cc(c(cc1Cl)OC)SCC2CS2 62a_100000023288_100000031435 [0,0,0,1,0,1|1,1,0]=4 922 B17R2.72061 COc1cc(c(cc1Cl)OC)SCC2CS2 62a_100000031435_100000023288 [0,0,0,1,0,1|1,1,0]=4 923 B17R2.72061 COc1cc(c(cc1Cl)OC)SC[C@@H]2CO2 62a_100000023288_100000745022 [0,0,0,1,0,1|1,1,0]=4 924 B17R2.72061 COc1cc(c(cc1Cl)OC)SC[C@@H]2CO2 62a_100000745022_100000023288 [0,0,0,1,0,1|1,1,0]=4 925 B17R2.427850 COc1cc(c(cc1Br)OC)CN2CCC2 26a_100000754969_100009816818 [0,1,0,1,0,0|2,0,0]=4 926 B17R2.427850 COc1cc(c(cc1Br)OC)OC2CCC2 34a_100009816818_100000749161 [0,1,0,1,0,0|2,0,0]=4 927 B17R2.427850 COc1cc(c(cc1Br)OC)OC2COC2 34a_100009816818_100009818527 [0,1,0,1,0,0|2,0,0]=4 928 B17R2.427850 COc1cc(c(cc1Br)OC)OC2COC2 7a_100009816818_100009818527 [0,1,0,1,0,0|2,0,0]=4 929 B17R2.427850 COc1cc(c(cc1Br)OC)SC2CCC2 62a_100013799044_100000749161 [0,1,0,1,0,0|2,0,0]=4 930 B17R2.427850 COc1cc(c(cc1Br)OC)SC2COC2 62a_100013799044_100009818527 [0,1,0,1,0,0|2,0,0]=4 931 B17R2.427790 C=C(c1cc(c(cc1OC)Br)OC)C2CC2 271570a_100010895485_100013799044 [0,1,0,1,0,0|1,0,1]=4 932 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 34a_100009816031_200025704644 [1,0,0,0,1,0|1,0,1]=4 933 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 7a_100009816031_200025704644 [1,0,0,0,1,0|1,0,1]=4 934 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 34a_100009816031_200000210301 [1,0,0,0,1,0|1,0,1]=4 935 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 7a_100009816031_200000210301 [1,0,0,0,1,0|1,0,1]=4 936 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [1,0,0,0,1,0|1,0,1]=4 937 B13R1.2430 C=Cc1ccc(cc1[C@H](C)N)OC 271570a_100011290941_200015425320 [1,0,0,0,1,0|1,0,1]=4 938 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_200000210301 [1,0,0,0,1,0|2,0,0]=4 939 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_200000210301 [1,0,0,0,1,0|2,0,0]=4 940 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [1,0,0,0,1,0|1,0,1]=4 941 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [1,0,0,0,1,0|1,0,1]=4 942 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [1,0,0,0,1,0|1,0,1]=4 943 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [1,0,0,0,1,0|1,0,1]=4 944 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [1,0,0,0,1,0|1,0,1]=4 945 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [1,0,0,0,1,0|1,0,1]=4 946 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [1,0,0,0,1,0|1,0,1]=4 947 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [1,0,0,0,1,0|1,0,1]=4 948 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 34a_100011998526_200000210301 [1,0,0,0,1,0|1,0,0]=3 949 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 7a_100011998526_200000210301 [1,0,0,0,1,0|1,0,0]=3 950 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 34a_100011998526_200025704644 [1,0,0,0,1,0|1,0,0]=3 951 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 7a_100011998526_200025704644 [1,0,0,0,1,0|1,0,0]=3 952 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 2230a_100000221073_200000210301 [1,0,0,0,1,0|2,0,0]=4 953 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 269982a_100000221073_200000210301 [1,0,0,0,1,0|2,0,0]=4 954 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 34a_100000221073_200000210301 [1,0,0,0,1,0|2,0,0]=4 955 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 2230a_100000221073_200025704644 [1,0,0,0,1,0|2,0,0]=4 956 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 269982a_100000221073_200025704644 [1,0,0,0,1,0|2,0,0]=4 957 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 34a_100000221073_200025704644 [1,0,0,0,1,0|2,0,0]=4 958 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200000210301_200015425320 [1,0,0,0,1,0|0,1,0]=3 959 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200015425320_200000210301 [1,0,0,0,1,0|0,1,0]=3 960 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200015425320_200025704644 [1,0,0,0,1,0|0,1,0]=3 961 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200025704644_200015425320 [1,0,0,0,1,0|0,1,0]=3 962 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [1,0,0,0,1,0|1,0,1]=4 963 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [1,0,0,0,1,0|1,0,1]=4 964 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 2230a_100025764739_200025704644 [1,0,0,0,1,0|2,0,0]=4 965 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 34a_100025764739_200025704644 [1,0,0,0,1,0|2,0,0]=4 966 B15R1.1803 C=C(C)CNc1cc(c(cc1C)Br)OC 34a_100010232211_100000748629 [1,0,0,0,0,1|1,0,1]=4 967 B15R1.1803 C=C(C)CNc1cc(c(cc1C)Br)OC 7a_100010232211_100000748629 [1,0,0,0,0,1|1,0,1]=4 968 B15R1.1803 COc1cc(c(cc1Br)Br)CNC(C)C 207a_100138425928_100010996155 [1,0,0,0,0,1|2,0,0]=4 969 B15R1.1803 COc1cc(c(cc1Br)Br)NCC(C)C 34a_100000718616_100000210624 [1,0,0,0,0,1|2,0,0]=4 970 B15R1.1803 COc1cc(c(cc1Br)Br)NCC(C)C 7a_100000718616_100000210760 [1,0,0,0,0,1|2,0,0]=4 971 B15R1.1803 COc1cc(c(cc1Br)Br)NCC(C)O 34a_100000718616_100011218427 [1,0,0,0,0,1|2,0,0]=4 972 B15R1.1803 COc1cc(c(cc1Br)Br)NCC(C)O 7a_100000718616_100011218427 [1,0,0,0,0,1|2,0,0]=4 973 B15R1.1803 COc1cc(c(cc1Br)Br)NC[C@@H](C)O 34a_100000718616_100009817552 [1,0,0,0,0,1|2,0,0]=4 974 B15R1.1803 COc1cc(c(cc1Br)Br)NC[C@@H](C)O 7a_100000718616_100009817552 [1,0,0,0,0,1|2,0,0]=4 975 B15R1.1803 COc1cc(c(cc1Br)Br)SCC(C)C 62a_100000210624_200014006352 [1,0,0,0,0,1|2,0,0]=4 976 B15R1.1803 COc1cc(c(cc1Br)Br)SCC(C)C 62a_200014006352_100000210760 [1,0,0,0,0,1|2,0,0]=4 977 B15R1.1803 COc1cc(c(cc1Br)Br)SCC(C)O 62a_100011218427_200014006352 [1,0,0,0,0,1|2,0,0]=4 978 B15R1.1803 COc1cc(c(cc1Br)Br)SCC(C)O 62a_200014006352_100011218427 [1,0,0,0,0,1|2,0,0]=4 979 B15R1.1803 COc1cc(c(cc1Br)Br)SC[C@@H](C)O 62a_100009817552_200014006352 [1,0,0,0,0,1|2,0,0]=4 980 B15R1.1803 COc1cc(c(cc1Br)Br)SC[C@@H](C)O 62a_200014006352_100009817552 [1,0,0,0,0,1|2,0,0]=4 981 B15R1.1803 COc1cc(c(cc1Br)C)NCC(=O)N 34a_100010232211_100000187820 [1,0,0,0,0,1|1,0,1]=4 982 B15R1.1803 COc1cc(c(cc1Br)C)NCC(=O)N 7a_100010232211_100000187820 [1,0,0,0,0,1|1,0,1]=4 983 B15R1.1803 COc1cc(c(cc1Br)C)NCC(C)C 34a_100010232211_100000210624 [1,0,0,0,0,1|1,0,0]=3 984 B15R1.1803 COc1cc(c(cc1Br)C)NCC(C)C 7a_100010232211_100000210760 [1,0,0,0,0,1|1,0,0]=3 985 B15R1.1803 COc1cc(c(cc1Br)C)NCC(C)O 34a_100010232211_100011218427 [1,0,0,0,0,1|1,0,0]=3 986 B15R1.1803 COc1cc(c(cc1Br)C)NCC(C)O 7a_100010232211_100011218427 [1,0,0,0,0,1|1,0,0]=3 987 B15R1.1803 COc1cc(c(cc1Br)C)NCC(F)F 34a_100010232211_100011934356 [1,0,0,0,0,1|2,0,0]=4 988 B15R1.1803 COc1cc(c(cc1Br)C)NCC(F)F 7a_100010232211_100011934356 [1,0,0,0,0,1|2,0,0]=4 989 B15R1.1803 COc1cc(c(cc1Br)C)NC[C@@H](C)O 34a_100010232211_100009817552 [1,0,0,0,0,1|1,0,0]=3 990 B15R1.1803 COc1cc(c(cc1Br)C)NC[C@@H](C)O 7a_100010232211_100009817552 [1,0,0,0,0,1|1,0,0]=3 991 B15R1.1803 COc1cc(c(cc1Br)Cl)NCC(C)C 34a_100012361290_100000210624 [1,0,0,0,0,1|2,0,0]=4 992 B15R1.1803 COc1cc(c(cc1Br)Cl)NCC(C)C 7a_100012361290_100000210760 [1,0,0,0,0,1|2,0,0]=4 993 B15R1.1803 COc1cc(c(cc1Br)Cl)NCC(C)O 34a_100012361290_100011218427 [1,0,0,0,0,1|2,0,0]=4 994 B15R1.1803 COc1cc(c(cc1Br)Cl)NCC(C)O 7a_100012361290_100011218427 [1,0,0,0,0,1|2,0,0]=4 995 B15R1.1803 COc1cc(c(cc1Br)Cl)NC[C@@H](C)O 34a_100012361290_100009817552 [1,0,0,0,0,1|2,0,0]=4 996 B15R1.1803 COc1cc(c(cc1Br)Cl)NC[C@@H](C)O 7a_100012361290_100009817552 [1,0,0,0,0,1|2,0,0]=4 997 B15R1.1803 COc1cc(c(cc1Br)F)CNC(C)C 207a_100138425928_100000695681 [1,0,0,0,0,1|2,0,0]=4 998 B15R1.1803 COc1cc(c(cc1Cl)C)NCC(C)C 2230a_100009858536_100000210760 [1,0,0,0,0,1|1,1,0]=4 999 B15R1.1803 COc1cc(c(cc1Cl)C)NCC(C)C 34a_100009858536_100000210624 [1,0,0,0,0,1|1,1,0]=4 1000 B15R1.1803 COc1cc(c(cc1Cl)C)NCC(C)C 7a_100009858536_100000210760 [1,0,0,0,0,1|1,1,0]=4 1001 B15R1.1803 COc1cc(c(cc1Cl)C)NCC(C)O 2230a_100009858536_100011218427 [1,0,0,0,0,1|1,1,0]=4 1002 B15R1.1803 COc1cc(c(cc1Cl)C)NCC(C)O 34a_100009858536_100011218427 [1,0,0,0,0,1|1,1,0]=4 1003 B15R1.1803 COc1cc(c(cc1Cl)C)NCC(C)O 7a_100009858536_100011218427 [1,0,0,0,0,1|1,1,0]=4 1004 B15R1.1803 COc1cc(c(cc1Cl)C)NC[C@@H](C)O 2230a_100009858536_100009817552 [1,0,0,0,0,1|1,1,0]=4 1005 B15R1.1803 COc1cc(c(cc1Cl)C)NC[C@@H](C)O 34a_100009858536_100009817552 [1,0,0,0,0,1|1,1,0]=4 1006 B15R1.1803 COc1cc(c(cc1Cl)C)NC[C@@H](C)O 7a_100009858536_100009817552 [1,0,0,0,0,1|1,1,0]=4 1007 B15R1.1803 COc1cc(c(cc1F)C)SCC(C)C 62a_100000210624_100011009880 [1,0,0,0,0,1|1,1,0]=4 1008 B15R1.1803 COc1cc(c(cc1F)C)SCC(C)C 62a_100011009880_100000210760 [1,0,0,0,0,1|1,1,0]=4 1009 B15R1.1803 COc1cc(c(cc1F)C)SCC(C)O 62a_100011009880_100011218427 [1,0,0,0,0,1|1,1,0]=4 1010 B15R1.1803 COc1cc(c(cc1F)C)SCC(C)O 62a_100011218427_100011009880 [1,0,0,0,0,1|1,1,0]=4 1011 B15R1.1803 COc1cc(c(cc1F)C)SC[C@@H](C)O 62a_100009817552_100011009880 [1,0,0,0,0,1|1,1,0]=4 1012 B15R1.1803 COc1cc(c(cc1F)C)SC[C@@H](C)O 62a_100011009880_100009817552 [1,0,0,0,0,1|1,1,0]=4 1013 B15R1.1803 COc1cc(c(cc1N)C)SCC(C)C 62a_100000210624_100010141321 [1,0,0,0,0,1|2,0,0]=4 1014 B15R1.1803 COc1cc(c(cc1N)C)SCC(C)C 62a_100010141321_100000210760 [1,0,0,0,0,1|2,0,0]=4 1015 B15R1.1803 COc1cc(c(cc1N)C)SCC(C)O 62a_100010141321_100011218427 [1,0,0,0,0,1|2,0,0]=4 1016 B15R1.1803 COc1cc(c(cc1N)C)SCC(C)O 62a_100011218427_100010141321 [1,0,0,0,0,1|2,0,0]=4 1017 B15R1.1803 COc1cc(c(cc1N)C)SC[C@@H](C)O 62a_100009817552_100010141321 [1,0,0,0,0,1|2,0,0]=4 1018 B15R1.1803 COc1cc(c(cc1N)C)SC[C@@H](C)O 62a_100010141321_100009817552 [1,0,0,0,0,1|2,0,0]=4 1019 B15R1.12830 C=C(C)CNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000748629 [1,0,0,0,0,1|1,0,1]=4 1020 B15R1.12830 C=C(C)CNc1cc(c(cc1OC)Br)C 34a_100010141321_100000748629 [1,0,0,0,0,1|1,0,1]=4 1021 B15R1.12830 COc1cc(c(cc1NCC(=O)N)C)Br 2230a_100010141321_100000747473 [1,0,0,0,0,1|1,0,1]=4 1022 B15R1.12830 COc1cc(c(cc1NCC(=O)N)C)Br 34a_100010141321_100000187820 [1,0,0,0,0,1|1,0,1]=4 1023 B15R1.12830 COc1cc(c(cc1NCC(C)C)C)Br 2230a_100010141321_100000210760 [1,0,0,0,0,1|1,0,0]=3 1024 B15R1.12830 COc1cc(c(cc1NCC(C)C)C)Br 34a_100010141321_100000210624 [1,0,0,0,0,1|1,0,0]=3 1025 B15R1.12830 COc1cc(c(cc1NCC(C)C)C)Cl 2230a_100000211396_100000210760 [1,0,0,0,0,1|1,1,0]=4 1026 B15R1.12830 COc1cc(c(cc1NCC(C)C)C)Cl 34a_100000211396_100000210624 [1,0,0,0,0,1|1,1,0]=4 1027 B15R1.12830 COc1cc(c(cc1NCC(C)C)Cl)Br 2230a_100010212225_100000210760 [1,0,0,0,0,1|2,0,0]=4 1028 B15R1.12830 COc1cc(c(cc1NCC(C)C)Cl)Br 34a_100010212225_100000210624 [1,0,0,0,0,1|2,0,0]=4 1029 B15R1.12830 COc1cc(c(cc1NCC(C)C)F)Br 2230a_100012766639_100000210760 [1,0,0,0,0,1|2,0,0]=4 1030 B15R1.12830 COc1cc(c(cc1NCC(C)C)F)Br 34a_100012766639_100000210624 [1,0,0,0,0,1|2,0,0]=4 1031 B15R1.12830 COc1cc(c(cc1NCC(C)O)C)Br 2230a_100010141321_100011218427 [1,0,0,0,0,1|1,0,0]=3 1032 B15R1.12830 COc1cc(c(cc1NCC(C)O)C)Br 34a_100010141321_100011218427 [1,0,0,0,0,1|1,0,0]=3 1033 B15R1.12830 COc1cc(c(cc1NCC(C)O)C)Cl 2230a_100000211396_100011218427 [1,0,0,0,0,1|1,1,0]=4 1034 B15R1.12830 COc1cc(c(cc1NCC(C)O)C)Cl 34a_100000211396_100011218427 [1,0,0,0,0,1|1,1,0]=4 1035 B15R1.12830 COc1cc(c(cc1NCC(C)O)Cl)Br 2230a_100010212225_100011218427 [1,0,0,0,0,1|2,0,0]=4 1036 B15R1.12830 COc1cc(c(cc1NCC(C)O)Cl)Br 34a_100010212225_100011218427 [1,0,0,0,0,1|2,0,0]=4 1037 B15R1.12830 COc1cc(c(cc1NCC(C)O)F)Br 2230a_100012766639_100011218427 [1,0,0,0,0,1|2,0,0]=4 1038 B15R1.12830 COc1cc(c(cc1NCC(C)O)F)Br 34a_100012766639_100011218427 [1,0,0,0,0,1|2,0,0]=4 1039 B15R1.12830 COc1cc(c(cc1NCC(F)F)C)Br 2230a_100010141321_100011934356 [1,0,0,0,0,1|2,0,0]=4 1040 B15R1.12830 COc1cc(c(cc1NCC(F)F)C)Br 34a_100010141321_100011934356 [1,0,0,0,0,1|2,0,0]=4 1041 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)C)Br 2230a_100010141321_100009817552 [1,0,0,0,0,1|1,0,0]=3 1042 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)C)Br 34a_100010141321_100009817552 [1,0,0,0,0,1|1,0,0]=3 1043 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)C)Cl 2230a_100000211396_100009817552 [1,0,0,0,0,1|1,1,0]=4 1044 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)C)Cl 34a_100000211396_100009817552 [1,0,0,0,0,1|1,1,0]=4 1045 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)Cl)Br 2230a_100010212225_100009817552 [1,0,0,0,0,1|2,0,0]=4 1046 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)Cl)Br 34a_100010212225_100009817552 [1,0,0,0,0,1|2,0,0]=4 1047 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)F)Br 2230a_100012766639_100009817552 [1,0,0,0,0,1|2,0,0]=4 1048 B15R1.12830 COc1cc(c(cc1NC[C@@H](C)O)F)Br 34a_100012766639_100009817552 [1,0,0,0,0,1|2,0,0]=4 1049 B15R1.12830 COc1cc(c(cc1OCC(C)C)F)Br 34a_100010189133_100000210624 [1,0,0,0,0,1|2,0,0]=4 1050 B15R1.12830 COc1cc(c(cc1OCC(C)C)F)Br 7a_100010189133_100000210760 [1,0,0,0,0,1|2,0,0]=4 1051 B15R1.12830 COc1cc(c(cc1OCC(C)O)F)Br 34a_100010189133_100011218427 [1,0,0,0,0,1|2,0,0]=4 1052 B15R1.12830 COc1cc(c(cc1OCC(C)O)F)Br 7a_100010189133_100011218427 [1,0,0,0,0,1|2,0,0]=4 1053 B15R1.12830 COc1cc(c(cc1OC[C@@H](C)O)F)Br 34a_100010189133_100009817552 [1,0,0,0,0,1|2,0,0]=4 1054 B15R1.12830 COc1cc(c(cc1OC[C@@H](C)O)F)Br 7a_100010189133_100009817552 [1,0,0,0,0,1|2,0,0]=4 1055 B15R1.12830 COc1cc(c(cc1SCC(C)C)C)F 62a_100000210624_100010201977 [1,0,0,0,0,1|1,1,0]=4 1056 B15R1.12830 COc1cc(c(cc1SCC(C)C)C)F 62a_100010201977_100000210760 [1,0,0,0,0,1|1,1,0]=4 1057 B15R1.12830 COc1cc(c(cc1SCC(C)C)C)N 62a_100000210624_100010232211 [1,0,0,0,0,1|2,0,0]=4 1058 B15R1.12830 COc1cc(c(cc1SCC(C)C)C)N 62a_100010232211_100000210760 [1,0,0,0,0,1|2,0,0]=4 1059 B15R1.12830 COc1cc(c(cc1SCC(C)O)C)F 62a_100010201977_100011218427 [1,0,0,0,0,1|1,1,0]=4 1060 B15R1.12830 COc1cc(c(cc1SCC(C)O)C)F 62a_100011218427_100010201977 [1,0,0,0,0,1|1,1,0]=4 1061 B15R1.12830 COc1cc(c(cc1SCC(C)O)C)N 62a_100010232211_100011218427 [1,0,0,0,0,1|2,0,0]=4 1062 B15R1.12830 COc1cc(c(cc1SCC(C)O)C)N 62a_100011218427_100010232211 [1,0,0,0,0,1|2,0,0]=4 1063 B15R1.12830 COc1cc(c(cc1SC[C@@H](C)O)C)F 62a_100009817552_100010201977 [1,0,0,0,0,1|1,1,0]=4 1064 B15R1.12830 COc1cc(c(cc1SC[C@@H](C)O)C)F 62a_100010201977_100009817552 [1,0,0,0,0,1|1,1,0]=4 1065 B15R1.12830 COc1cc(c(cc1SC[C@@H](C)O)C)N 62a_100009817552_100010232211 [1,0,0,0,0,1|2,0,0]=4 1066 B15R1.12830 COc1cc(c(cc1SC[C@@H](C)O)C)N 62a_100010232211_100009817552 [1,0,0,0,0,1|2,0,0]=4 1067 B15R1.1882 C=C(C)CNc1cc(ccc1OC)OC 2230a_100000184736_100000748629 [1,0,0,0,0,1|1,0,1]=4 1068 B15R1.1882 C=C(C)CNc1cc(ccc1OC)OC 34a_100000184736_100000748629 [1,0,0,0,0,1|1,0,1]=4 1069 B15R1.1882 C=C(C)COc1cc(ccc1OC)OC 34a_100000074795_100000748629 [1,0,0,0,0,1|1,0,1]=4 1070 B15R1.1882 C=C(C)CSc1cc(ccc1OC)OC 62a_100000748629_100011215452 [1,0,0,0,0,1|1,0,1]=4 1071 B15R1.1882 C=C(C)CSc1cc(ccc1OC)OC 62a_100011215452_100000211660 [1,0,0,0,0,1|1,0,1]=4 1072 B15R1.1882 CCc1ccc(c(c1)CNC(C)C)OC 207a_100138425928_200000117280 [1,0,0,0,0,1|2,0,0]=4 1073 B15R1.1882 CCc1ccc(c(c1)NCC(C)C)OC 2230a_100012035449_100000210760 [1,0,0,0,0,1|2,0,0]=4 1074 B15R1.1882 CCc1ccc(c(c1)NCC(C)C)OC 34a_100012035449_100000210624 [1,0,0,0,0,1|2,0,0]=4 1075 B15R1.1882 CCc1ccc(c(c1)NCC(C)O)OC 2230a_100012035449_100011218427 [1,0,0,0,0,1|2,0,0]=4 1076 B15R1.1882 CCc1ccc(c(c1)NCC(C)O)OC 34a_100012035449_100011218427 [1,0,0,0,0,1|2,0,0]=4 1077 B15R1.1882 CCc1ccc(c(c1)NC[C@@H](C)O)OC 2230a_100012035449_100009817552 [1,0,0,0,0,1|2,0,0]=4 1078 B15R1.1882 CCc1ccc(c(c1)NC[C@@H](C)O)OC 34a_100012035449_100009817552 [1,0,0,0,0,1|2,0,0]=4 1079 B15R1.1882 CCc1ccc(c(c1)OCC(C)C)OC 34a_100009844796_100000210624 [1,0,0,0,0,1|2,0,0]=4 1080 B15R1.1882 CCc1ccc(c(c1)OCC(C)C)OC 7a_100009844796_100000210760 [1,0,0,0,0,1|2,0,0]=4 1081 B15R1.1882 CCc1ccc(c(c1)OCC(C)O)OC 34a_100009844796_100011218427 [1,0,0,0,0,1|2,0,0]=4 1082 B15R1.1882 CCc1ccc(c(c1)OCC(C)O)OC 7a_100009844796_100011218427 [1,0,0,0,0,1|2,0,0]=4 1083 B15R1.1882 CCc1ccc(c(c1)OC[C@@H](C)O)OC 34a_100009844796_100009817552 [1,0,0,0,0,1|2,0,0]=4 1084 B15R1.1882 CCc1ccc(c(c1)OC[C@@H](C)O)OC 7a_100009844796_100009817552 [1,0,0,0,0,1|2,0,0]=4 1085 B15R1.1882 CCc1ccc(c(c1)SCC(C)C)OC 62a_100000210624_100010062400 [1,0,0,0,0,1|2,0,0]=4 1086 B15R1.1882 CCc1ccc(c(c1)SCC(C)C)OC 62a_100010062400_100000210760 [1,0,0,0,0,1|2,0,0]=4 1087 B15R1.1882 CCc1ccc(c(c1)SCC(C)O)OC 62a_100010062400_100011218427 [1,0,0,0,0,1|2,0,0]=4 1088 B15R1.1882 CCc1ccc(c(c1)SCC(C)O)OC 62a_100011218427_100010062400 [1,0,0,0,0,1|2,0,0]=4 1089 B15R1.1882 CCc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100009817552_100010062400 [1,0,0,0,0,1|2,0,0]=4 1090 B15R1.1882 CCc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100010062400_100009817552 [1,0,0,0,0,1|2,0,0]=4 1091 B15R1.1882 CNc1ccc(c(c1)SCC(C)C)OC 62a_100000210624_114948341033 [1,0,0,0,0,1|2,0,0]=4 1092 B15R1.1882 CNc1ccc(c(c1)SCC(C)C)OC 62a_114948341033_100000210760 [1,0,0,0,0,1|2,0,0]=4 1093 B15R1.1882 CNc1ccc(c(c1)SCC(C)O)OC 62a_100011218427_114948341033 [1,0,0,0,0,1|2,0,0]=4 1094 B15R1.1882 CNc1ccc(c(c1)SCC(C)O)OC 62a_114948341033_100011218427 [1,0,0,0,0,1|2,0,0]=4 1095 B15R1.1882 CNc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100009817552_114948341033 [1,0,0,0,0,1|2,0,0]=4 1096 B15R1.1882 CNc1ccc(c(c1)SC[C@@H](C)O)OC 62a_114948341033_100009817552 [1,0,0,0,0,1|2,0,0]=4 1097 B15R1.1882 COc1ccc(c(c1)C=CC(C)C)OC 271570a_100016257149_100011215452 [1,0,0,0,0,1|1,0,1]=4 1098 B15R1.1882 COc1ccc(c(c1)C=CC(C)O)OC 271570a_200011019289_100011215452 [1,0,0,0,0,1|1,0,1]=4 1099 B15R1.1882 COc1ccc(c(c1)CCC(=O)C)OC 1458a_100000736209_200000210301 [1,0,0,0,0,1|1,0,1]=4 1100 B15R1.1882 COc1ccc(c(c1)CCC(=O)[13CH3])OC 1458a_100000736209_200025704644 [1,0,0,0,0,1|1,0,1]=4 1101 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 11a_100000185951_100015343762 [1,0,0,0,0,1|1,0,1]=4 1102 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 1626a_100000185951_100015343762 [1,0,0,0,0,1|1,0,1]=4 1103 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 240690a_100000185951_100015343762 [1,0,0,0,0,1|1,0,1]=4 1104 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 527a_100000185951_100103153847 [1,0,0,0,0,1|1,0,1]=4 1105 B15R1.1882 COc1ccc(c(c1)CNC(C)C)OC 207a_100138425928_100000170336 [1,0,0,0,0,1|1,0,0]=3 1106 B15R1.1882 COc1ccc(c(c1)CNC(C)C)OC 34a_100000185951_100000210206 [1,0,0,0,0,1|1,0,0]=3 1107 B15R1.1882 COc1ccc(c(c1)CNC(C)C)OC 34a_100138425928_100011233847 [1,0,0,0,0,1|1,0,0]=3 1108 B15R1.1882 COc1ccc(c(c1)COC(C)C)OC 34a_100000212225_100011233847 [1,0,0,0,0,1|1,0,0]=3 1109 B15R1.1882 COc1ccc(c(c1)COC(C)C)OC 34a_100000212306_100000210206 [1,0,0,0,0,1|1,0,0]=3 1110 B15R1.1882 COc1ccc(c(c1)CSC(C)C)OC 62a_100000205131_100000210206 [1,0,0,0,0,1|1,0,0]=3 1111 B15R1.1882 COc1ccc(c(c1)CSC(C)C)OC 62a_100000210206_100011233847 [1,0,0,0,0,1|1,0,0]=3 1112 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)OC 2230a_100000184736_100000747473 [1,0,0,0,0,1|1,0,1]=4 1113 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)OC 34a_100000184736_100000187820 [1,0,0,0,0,1|1,0,1]=4 1114 B15R1.1882 COc1ccc(c(c1)NCC(C)C)OC 2230a_100000184736_100000210760 [1,0,0,0,0,1|1,0,0]=3 1115 B15R1.1882 COc1ccc(c(c1)NCC(C)C)OC 34a_100000184736_100000210624 [1,0,0,0,0,1|1,0,0]=3 1116 B15R1.1882 COc1ccc(c(c1)NCC(C)O)OC 2230a_100000184736_100011218427 [1,0,0,0,0,1|1,0,0]=3 1117 B15R1.1882 COc1ccc(c(c1)NCC(C)O)OC 34a_100000184736_100011218427 [1,0,0,0,0,1|1,0,0]=3 1118 B15R1.1882 COc1ccc(c(c1)NCC(F)F)OC 2230a_100000184736_100011934356 [1,0,0,0,0,1|2,0,0]=4 1119 B15R1.1882 COc1ccc(c(c1)NCC(F)F)OC 34a_100000184736_100011934356 [1,0,0,0,0,1|2,0,0]=4 1120 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)OC 2230a_100000184736_100009817552 [1,0,0,0,0,1|1,0,0]=3 1121 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)OC 34a_100000184736_100009817552 [1,0,0,0,0,1|1,0,0]=3 1122 B15R1.1882 COc1ccc(c(c1)OCC(=O)N)OC 34a_100000074795_100000187820 [1,0,0,0,0,1|1,0,1]=4 1123 B15R1.1882 COc1ccc(c(c1)OCC(C)C)OC 34a_100000074795_100000210624 [1,0,0,0,0,1|1,0,0]=3 1124 B15R1.1882 COc1ccc(c(c1)OCC(C)O)OC 34a_100000074795_100011218427 [1,0,0,0,0,1|1,0,0]=3 1125 B15R1.1882 COc1ccc(c(c1)OCC(F)F)OC 34a_100000074795_100011934356 [1,0,0,0,0,1|2,0,0]=4 1126 B15R1.1882 COc1ccc(c(c1)OC[C@@H](C)O)OC 34a_100000074795_100009817552 [1,0,0,0,0,1|1,0,0]=3 1127 B15R1.1882 COc1ccc(c(c1)SCC(=O)N)OC 62a_100000747473_100011215452 [1,0,0,0,0,1|1,0,1]=4 1128 B15R1.1882 COc1ccc(c(c1)SCC(=O)N)OC 62a_100011215452_100000747473 [1,0,0,0,0,1|1,0,1]=4 1129 B15R1.1882 COc1ccc(c(c1)SCC(C)C)OC 62a_100000210624_100011215452 [1,0,0,0,0,1|1,0,0]=3 1130 B15R1.1882 COc1ccc(c(c1)SCC(C)C)OC 62a_100011215452_100000210760 [1,0,0,0,0,1|1,0,0]=3 1131 B15R1.1882 COc1ccc(c(c1)SCC(C)O)OC 62a_100011215452_100011218427 [1,0,0,0,0,1|1,0,0]=3 1132 B15R1.1882 COc1ccc(c(c1)SCC(C)O)OC 62a_100011218427_100011215452 [1,0,0,0,0,1|1,0,0]=3 1133 B15R1.1882 COc1ccc(c(c1)SCC(F)F)OC 62a_100011215452_100011934356 [1,0,0,0,0,1|2,0,0]=4 1134 B15R1.1882 COc1ccc(c(c1)SCC(F)F)OC 62a_100011934356_100011215452 [1,0,0,0,0,1|2,0,0]=4 1135 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100009817552_100011215452 [1,0,0,0,0,1|1,0,0]=3 1136 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100011215452_100009817552 [1,0,0,0,0,1|1,0,0]=3 1137 B15R1.405 COc1cc(cc(c1CN(C)C)OC)Br 270004a_100102631434_100010380724 [0,0,0,0,1,1|2,0,0]=4 1138 B15R1.405 COc1cc(cc(c1OC(C)C)OC)Br 34a_100000691893_100000210206 [0,0,0,0,1,1|2,0,0]=4 1139 B17R1.28802 C=C(C)CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000730704 [0,0,0,0,0,2|1,0,1]=4 1140 B17R1.28802 C=C(C)CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000730704 [0,0,0,0,0,2|1,0,1]=4 1141 B17R1.28802 C=C(C)CCSc1cc(c(cc1OC)Br)OC 62a_100000730704_100013799044 [0,0,0,0,0,2|1,0,1]=4 1142 B17R1.28802 C=C(C)CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000730704 [0,0,0,0,0,2|1,0,1]=4 1143 B17R1.28802 COc1cc(c(cc1Br)OC)C=CCC(C)C 271570a_100016259101_100013799044 [0,0,0,0,0,2|1,0,0]=3 1144 B17R1.28802 COc1cc(c(cc1Br)OC)C=NNC(C)C 4a_100000741168_100000188581 [0,0,0,0,0,2|1,0,1]=4 1145 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(C)C 207a_100000210953_100000188581 [0,0,0,0,0,2|1,0,0]=3 1146 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(C)C 26a_100000210953_100009816818 [0,0,0,0,0,2|1,0,0]=3 1147 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(C)C 270004a_100000210953_100000188581 [0,0,0,0,0,2|1,0,0]=3 1148 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(C)O 207a_100000210904_100000188581 [0,0,0,0,0,2|1,0,0]=3 1149 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(C)O 270004a_100000210904_100000188581 [0,0,0,0,0,2|1,0,0]=3 1150 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(F)F 207a_100000765723_100000188581 [0,0,0,0,0,2|2,0,0]=4 1151 B17R1.28802 COc1cc(c(cc1Br)OC)CNCC(F)F 270004a_100000765723_100000188581 [0,0,0,0,0,2|2,0,0]=4 1152 B17R1.28802 COc1cc(c(cc1Br)OC)OCC=C(C)C 34a_100009816818_100000761012 [0,0,0,0,0,2|1,0,1]=4 1153 B17R1.28802 COc1cc(c(cc1Br)OC)OCC=C(C)C 7a_100009816818_100000761012 [0,0,0,0,0,2|1,0,1]=4 1154 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(=O)C 7a_100009816818_100000053229 [0,0,0,0,0,2|1,0,1]=4 1155 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(=O)N 34a_100009816818_100000731001 [0,0,0,0,0,2|1,0,1]=4 1156 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(=O)N 7a_100009816818_100000744528 [0,0,0,0,0,2|1,0,1]=4 1157 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(C)C 34a_100009816818_100000210312 [0,0,0,0,0,2|1,0,0]=3 1158 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(C)C 7a_100009816818_100000210626 [0,0,0,0,0,2|1,0,0]=3 1159 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(C)O 34a_100009816818_100012276601 [0,0,0,0,0,2|1,0,0]=3 1160 B17R1.28802 COc1cc(c(cc1Br)OC)OCCC(C)O 7a_100009816818_100012276601 [0,0,0,0,0,2|1,0,0]=3 1161 B17R1.28802 COc1cc(c(cc1Br)OC)OCCN(C)C 7a_100009816818_100000755713 [0,0,0,0,0,2|2,0,0]=4 1162 B17R1.28802 COc1cc(c(cc1Br)OC)OCOC(=O)C 34a_100009816818_100009813279 [0,0,0,0,0,2|1,0,1]=4 1163 B17R1.28802 COc1cc(c(cc1Br)OC)OCOC(C)C 34a_100009816818_100000709892 [0,0,0,0,0,2|1,0,0]=3 1164 B17R1.28802 COc1cc(c(cc1Br)OC)SCC=C(C)C 62a_100000761012_100013799044 [0,0,0,0,0,2|1,0,1]=4 1165 B17R1.28802 COc1cc(c(cc1Br)OC)SCC=C(C)C 62a_100013799044_100000761012 [0,0,0,0,0,2|1,0,1]=4 1166 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(=O)C 62a_100000053229_100013799044 [0,0,0,0,0,2|1,0,1]=4 1167 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(=O)C 62a_100013799044_100000053229 [0,0,0,0,0,2|1,0,1]=4 1168 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(=O)N 62a_100000744528_100013799044 [0,0,0,0,0,2|1,0,1]=4 1169 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(=O)N 62a_100013799044_100000744528 [0,0,0,0,0,2|1,0,1]=4 1170 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(C)C 62a_100000210312_100013799044 [0,0,0,0,0,2|1,0,0]=3 1171 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(C)C 62a_100013799044_100000210312 [0,0,0,0,0,2|1,0,0]=3 1172 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(C)O 62a_100012276601_100013799044 [0,0,0,0,0,2|1,0,0]=3 1173 B17R1.28802 COc1cc(c(cc1Br)OC)SCCC(C)O 62a_100013799044_100012276601 [0,0,0,0,0,2|1,0,0]=3 1174 B17R1.28802 COc1cc(c(cc1Br)OC)SCCN(C)C 62a_100013799044_100000755713 [0,0,0,0,0,2|2,0,0]=4 1175 B17R1.28802 COc1cc(c(cc1Br)OC)SCOC(=O)C 62a_100000076356_100013799044 [0,0,0,0,0,2|1,0,1]=4 1176 B17R1.28802 COc1cc(c(cc1Br)OC)SCOC(=O)C 62a_100013799044_100000076356 [0,0,0,0,0,2|1,0,1]=4 1177 B17R1.28802 COc1cc(c(cc1Br)OC)SCOC(C)C 62a_100000709892_100013799044 [0,0,0,0,0,2|1,0,0]=3 1178 B17R1.28802 COc1cc(c(cc1Br)OC)SCOC(C)C 62a_100013799044_100000709892 [0,0,0,0,0,2|1,0,0]=3 1179 B17R1.28802 COc1cc(c(cc1C)OC)C=CCC(C)C 271570a_100016259101_100000039368 [0,0,0,0,0,2|2,0,0]=4 1180 B17R1.28802 COc1cc(c(cc1C)OC)CNCC(C)C 207a_100000210953_100000079178 [0,0,0,0,0,2|2,0,0]=4 1181 B17R1.28802 COc1cc(c(cc1C)OC)CNCC(C)C 270004a_100000210953_100000079178 [0,0,0,0,0,2|2,0,0]=4 1182 B17R1.28802 COc1cc(c(cc1C)OC)CNCC(C)O 207a_100000210904_100000079178 [0,0,0,0,0,2|2,0,0]=4 1183 B17R1.28802 COc1cc(c(cc1C)OC)CNCC(C)O 270004a_100000210904_100000079178 [0,0,0,0,0,2|2,0,0]=4 1184 B17R1.28802 COc1cc(c(cc1C)OC)COCC(C)C 34a_200010309539_100000210624 [0,0,0,0,0,2|2,0,0]=4 1185 B17R1.28802 COc1cc(c(cc1C)OC)COCC(C)C 7a_200010309539_100000210760 [0,0,0,0,0,2|2,0,0]=4 1186 B17R1.28802 COc1cc(c(cc1C)OC)COCC(C)O 34a_200010309539_100011218427 [0,0,0,0,0,2|2,0,0]=4 1187 B17R1.28802 COc1cc(c(cc1C)OC)COCC(C)O 7a_200010309539_100011218427 [0,0,0,0,0,2|2,0,0]=4 1188 B17R1.28802 COc1cc(c(cc1C)OC)COC[C@@H](C)O 34a_200010309539_100009817552 [0,0,0,0,0,2|2,0,0]=4 1189 B17R1.28802 COc1cc(c(cc1C)OC)COC[C@@H](C)O 7a_200010309539_100009817552 [0,0,0,0,0,2|2,0,0]=4 1190 B17R1.28802 COc1cc(c(cc1C)OC)SCCC(C)C 62a_100000039368_100000210312 [0,0,0,0,0,2|2,0,0]=4 1191 B17R1.28802 COc1cc(c(cc1C)OC)SCCC(C)C 62a_100000210312_100000039368 [0,0,0,0,0,2|2,0,0]=4 1192 B17R1.28802 COc1cc(c(cc1C)OC)SCCC(C)O 62a_100000039368_100012276601 [0,0,0,0,0,2|2,0,0]=4 1193 B17R1.28802 COc1cc(c(cc1C)OC)SCCC(C)O 62a_100012276601_100000039368 [0,0,0,0,0,2|2,0,0]=4 1194 B17R1.28802 COc1cc(c(cc1C)OC)SCOC(C)C 62a_100000039368_100000709892 [0,0,0,0,0,2|2,0,0]=4 1195 B17R1.28802 COc1cc(c(cc1C)OC)SCOC(C)C 62a_100000709892_100000039368 [0,0,0,0,0,2|2,0,0]=4 1196 B17R1.28802 COc1cc(c(cc1Cl)OC)C=CCC(C)C 271570a_100016259101_100000023288 [0,0,0,0,0,2|1,1,0]=4 1197 B17R1.28802 COc1cc(c(cc1Cl)OC)CNCC(C)C 207a_100000210953_100010168916 [0,0,0,0,0,2|1,1,0]=4 1198 B17R1.28802 COc1cc(c(cc1Cl)OC)CNCC(C)C 270004a_100000210953_100010168916 [0,0,0,0,0,2|1,1,0]=4 1199 B17R1.28802 COc1cc(c(cc1Cl)OC)CNCC(C)O 207a_100000210904_100010168916 [0,0,0,0,0,2|1,1,0]=4 1200 B17R1.28802 COc1cc(c(cc1Cl)OC)CNCC(C)O 270004a_100000210904_100010168916 [0,0,0,0,0,2|1,1,0]=4 1201 B17R1.28802 COc1cc(c(cc1Cl)OC)NCCC(C)C 2230a_100000179761_100000210312 [0,0,0,0,0,2|1,1,0]=4 1202 B17R1.28802 COc1cc(c(cc1Cl)OC)NCCC(C)C 34a_100000179761_100000210312 [0,0,0,0,0,2|1,1,0]=4 1203 B17R1.28802 COc1cc(c(cc1Cl)OC)NCCC(C)O 2230a_100000179761_100012276601 [0,0,0,0,0,2|1,1,0]=4 1204 B17R1.28802 COc1cc(c(cc1Cl)OC)NCCC(C)O 34a_100000179761_100012276601 [0,0,0,0,0,2|1,1,0]=4 1205 B17R1.28802 COc1cc(c(cc1Cl)OC)NCOC(C)C 2230a_100000179761_100000709892 [0,0,0,0,0,2|1,1,0]=4 1206 B17R1.28802 COc1cc(c(cc1Cl)OC)NCOC(C)C 34a_100000179761_100000709892 [0,0,0,0,0,2|1,1,0]=4 1207 B17R1.28802 COc1cc(c(cc1Cl)OC)SCCC(C)C 62a_100000023288_100000210312 [0,0,0,0,0,2|1,1,0]=4 1208 B17R1.28802 COc1cc(c(cc1Cl)OC)SCCC(C)C 62a_100000210312_100000023288 [0,0,0,0,0,2|1,1,0]=4 1209 B17R1.28802 COc1cc(c(cc1Cl)OC)SCCC(C)O 62a_100000023288_100012276601 [0,0,0,0,0,2|1,1,0]=4 1210 B17R1.28802 COc1cc(c(cc1Cl)OC)SCCC(C)O 62a_100012276601_100000023288 [0,0,0,0,0,2|1,1,0]=4 1211 B17R1.28802 COc1cc(c(cc1Cl)OC)SCOC(C)C 62a_100000023288_100000709892 [0,0,0,0,0,2|1,1,0]=4 1212 B17R1.28802 COc1cc(c(cc1Cl)OC)SCOC(C)C 62a_100000709892_100000023288 [0,0,0,0,0,2|1,1,0]=4 1213 B17R1.28802 COc1cc(c(cc1I)OC)CNCC(C)C 207a_100000210953_200010262236 [0,0,0,0,0,2|1,1,0]=4 1214 B17R1.28802 COc1cc(c(cc1I)OC)CNCC(C)C 270004a_100000210953_200010262236 [0,0,0,0,0,2|1,1,0]=4 1215 B17R1.28802 COc1cc(c(cc1I)OC)CNCC(C)O 207a_100000210904_200010262236 [0,0,0,0,0,2|1,1,0]=4 1216 B17R1.28802 COc1cc(c(cc1I)OC)CNCC(C)O 270004a_100000210904_200010262236 [0,0,0,0,0,2|1,1,0]=4 1217 B17R1.28802 COc1cc(c(cc1O)OC)C=CCC(C)C 271570a_100016259101_100009816818 [0,0,0,0,0,2|2,0,0]=4