0 B14R1.3723 C=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100011290941_200011493461 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.3723 C=Cc1ccc(c(c1)OC(C)C)OC 271570a_100011290941_200010232110 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3723 C=Cc1ccc(cc1CN(C)C)OC 271570a_100011290941_100000727244 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3723 CCc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_100010062400 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.3723 CCc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_200000117280 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.3723 CCc1ccc(c(c1)NC(=O)C)OC 11a_100012035449_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.3723 CCc1ccc(c(c1)NC(=O)C)OC 1626a_100012035449_100015343762 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.3723 CCc1ccc(c(c1)NC(=O)C)OC 22a_100012035449_100000070787 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.3723 CCc1ccc(c(c1)NC(C)C)OC 2230a_100012035449_100000210206 [0,0,0,0,0,0|3,0,0]=3 9 B14R1.3723 CCc1ccc(c(c1)NC(C)C)OC 34a_100012035449_100000210206 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 34a_100009844796_100000210206 [0,0,0,0,0,0|3,0,0]=3 11 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 7a_100009844796_100000210206 [0,0,0,0,0,0|3,0,0]=3 12 B14R1.3723 CCc1ccc(c(c1)SC(C)C)OC 62a_100000210206_100010062400 [0,0,0,0,0,0|3,0,0]=3 13 B14R1.3723 CCc1ccc(c(c1)SC(C)C)OC 62a_100010062400_100000210206 [0,0,0,0,0,0|3,0,0]=3 14 B14R1.3723 CNc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_114948341033 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.3723 CNc1ccc(c(c1)NC(=O)C)OC 34a_100000736378_200000210301 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.3723 CNc1ccc(c(c1)NC(=O)C)OC 7a_100000736378_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.3723 CNc1ccc(c(c1)OC(F)F)OC 2230a_100000735751_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B14R1.3723 CNc1ccc(c(c1)OC(F)F)OC 34a_100000735751_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.3723 CNc1ccc(c(c1)SC(C)C)OC 62a_100000210206_114948341033 [0,0,0,0,0,0|3,0,0]=3 20 B14R1.3723 CNc1ccc(c(c1)SC(C)C)OC 62a_114948341033_100000210206 [0,0,0,0,0,0|3,0,0]=3 21 B14R1.3723 COc1cc(c(nn1)OC)OC(C)C 34a_200010760773_100000210206 [0,0,0,0,0,0|4,0,0]=4 22 B14R1.3723 COc1ccc(c(c1)C=C(C)C)OC 271570a_100102525489_100011215452 [0,0,0,0,0,0|1,0,2]=3 23 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_100000205131 [0,0,0,0,0,0|1,0,1]=2 24 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000212042_200000210301 [0,0,0,0,0,0|1,0,1]=2 25 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 34a_200000075431_200000210301 [0,0,0,0,0,0|1,0,1]=2 26 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 7a_200000075431_200000210301 [0,0,0,0,0,0|1,0,1]=2 27 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 34a_200000075431_200025704644 [0,0,0,0,0,0|1,0,1]=2 28 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 7a_200000075431_200025704644 [0,0,0,0,0,0|1,0,1]=2 29 B14R1.3723 COc1ccc(c(c1)CC(=O)[13CH3])OC 1458a_100000212042_200025704644 [0,0,0,0,0,0|1,0,1]=2 30 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 269982a_100102631434_100011233847 [0,0,0,0,0,0|2,0,0]=2 31 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_100000170336 [0,0,0,0,0,0|2,0,0]=2 32 B14R1.3723 COc1ccc(c(c1)CN(C)C)SC 62a_100000727244_200000210301 [0,0,0,0,0,0|2,1,0]=3 33 B14R1.3723 COc1ccc(c(c1)CN(C)C)SC 62a_200000210301_100000727244 [0,0,0,0,0,0|2,1,0]=3 34 B14R1.3723 COc1ccc(c(c1)CN(C)C)S[13CH3] 62a_100000727244_200025704644 [0,0,0,0,0,0|2,1,0]=3 35 B14R1.3723 COc1ccc(c(c1)CN(C)C)S[13CH3] 62a_200025704644_100000727244 [0,0,0,0,0,0|2,1,0]=3 36 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 11a_100000184736_100015343762 [0,0,0,0,0,0|2,0,1]=3 37 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 1626a_100000184736_100015343762 [0,0,0,0,0,0|2,0,1]=3 38 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 22a_100000184736_100000070787 [0,0,0,0,0,0|2,0,1]=3 39 B14R1.3723 COc1ccc(c(c1)NC(=O)C)SC 62a_200000210301_100011665069 [0,0,0,0,0,0|2,1,1]=4 40 B14R1.3723 COc1ccc(c(c1)NC(=O)C)S[13CH3] 62a_200025704644_100011665069 [0,0,0,0,0,0|2,1,1]=4 41 B14R1.3723 COc1ccc(c(c1)NC(C)C)C#N 2230a_100000687564_100000210206 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.3723 COc1ccc(c(c1)NC(C)C)C#N 34a_100000687564_100000210206 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.3723 COc1ccc(c(c1)NC(C)C)C#N 7a_100000687564_100000210206 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.3723 COc1ccc(c(c1)NC(C)C)CO 34a_100011998734_100000210206 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 2230a_100000184736_100000210206 [0,0,0,0,0,0|2,0,0]=2 46 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 34a_100000184736_100000210206 [0,0,0,0,0,0|2,0,0]=2 47 B14R1.3723 COc1ccc(c(c1)OC(C)C)C#N 34a_100011999188_100000210206 [0,0,0,0,0,0|4,0,0]=4 48 B14R1.3723 COc1ccc(c(c1)OC(C)C)C#N 7a_100011999188_100000210206 [0,0,0,0,0,0|4,0,0]=4 49 B14R1.3723 COc1ccc(c(c1)OC(C)C)N=O 34a_200010658452_100000210206 [0,0,0,0,0,0|4,0,0]=4 50 B14R1.3723 COc1ccc(c(c1)OC(C)C)N=O 7a_200010658452_100000210206 [0,0,0,0,0,0|4,0,0]=4 51 B14R1.3723 COc1ccc(c(c1)OC(C)C)OC 34a_100000074795_100000210206 [0,0,0,0,0,0|2,0,0]=2 52 B14R1.3723 COc1ccc(c(c1)SC(C)C)C#N 62a_100000210206_100012355471 [0,0,0,0,0,0|4,0,0]=4 53 B14R1.3723 COc1ccc(c(c1)SC(C)C)C=O 62a_100000210206_100000723261 [0,0,0,0,0,0|4,0,0]=4 54 B14R1.3723 COc1ccc(c(c1)SC(C)C)C=O 62a_100000723261_100000210206 [0,0,0,0,0,0|4,0,0]=4 55 B14R1.3723 COc1ccc(c(c1)SC(C)C)CO 62a_100000210206_100011982768 [0,0,0,0,0,0|4,0,0]=4 56 B14R1.3723 COc1ccc(c(c1)SC(C)C)CO 62a_100011982768_100000210206 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100000210206_100011215452 [0,0,0,0,0,0|2,0,0]=2 58 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100011215452_100000210206 [0,0,0,0,0,0|2,0,0]=2 59 B14R1.3723 COc1ccc(cc1CC(=O)C)C=O 1458a_100000070787_100000028394 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.3723 COc1ccc(cc1CC(=O)C)SC 62a_200011493461_200000210301 [0,0,0,0,0,0|1,1,1]=3 61 B14R1.3723 COc1ccc(cc1CC(=O)C)S[13CH3] 62a_200011493461_200025704644 [0,0,0,0,0,0|1,1,1]=3 62 B14R1.3723 COc1ccc(cc1CN(C)C)C#N 270004a_100102631434_100012017408 [0,0,0,0,0,0|4,0,0]=4 63 B14R1.3723 COc1ccc(cc1CN(C)C)C=O 2230a_100102631434_100000028394 [0,0,0,0,0,0|4,0,0]=4 64 B14R1.3723 COc1ccc(cc1CN(C)C)C=O 269982a_100102631434_100000028394 [0,0,0,0,0,0|4,0,0]=4 65 B14R1.3723 COc1ccc(cc1NC(=O)C)N[13CH3] 34a_100000736378_200025704644 [0,0,0,0,0,0|3,0,1]=4 66 B14R1.3723 COc1ccc(cc1NC(=O)C)N[13CH3] 7a_100000736378_200025704644 [0,0,0,0,0,0|3,0,1]=4 67 B14R1.3723 COc1ccc(cc1NC(=O)C)SC 62a_200000210301_200011407902 [0,0,0,0,0,0|2,1,1]=4 68 B14R1.3723 COc1ccc(cc1NC(=O)C)S[13CH3] 62a_200025704644_200011407902 [0,0,0,0,0,0|2,1,1]=4 69 B14R1.3723 COc1ccc(cc1NC(C)C)C#N 34a_100000747721_100000210206 [0,0,0,0,0,0|4,0,0]=4 70 B14R1.3723 COc1ccc(cc1NC(C)C)C#N 7a_100000747721_100000210206 [0,0,0,0,0,0|4,0,0]=4 71 B14R1.3723 COc1ccc(cc1NC(C)C)CO 2230a_100011269841_100000210206 [0,0,0,0,0,0|4,0,0]=4 72 B14R1.3723 COc1ccc(cc1NC(C)C)CO 34a_100011269841_100000210206 [0,0,0,0,0,0|4,0,0]=4 73 B14R1.3723 COc1ccc(cc1OC(C)C)C#N 34a_100000188611_100000210206 [0,0,0,0,0,0|4,0,0]=4 74 B14R1.3723 COc1ccc(cc1OC(C)C)C#N 7a_100000188611_100000210206 [0,0,0,0,0,0|4,0,0]=4 75 B14R1.3723 COc1ccc(cc1OC(C)C)CN 34a_100000740000_100000210206 [0,0,0,0,0,0|4,0,0]=4 76 B14R1.3723 COc1ccc(cc1OC(C)C)CO 34a_100011215239_100000210206 [0,0,0,0,0,0|4,0,0]=4 77 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200000210301_200010232110 [0,0,0,0,0,0|2,1,0]=3 78 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200010232110_200000210301 [0,0,0,0,0,0|2,1,0]=3 79 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200010232110_200025704644 [0,0,0,0,0,0|2,1,0]=3 80 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200025704644_200010232110 [0,0,0,0,0,0|2,1,0]=3 81 B14R1.3723 COc1ccc(cc1OC(F)F)N[13CH3] 2230a_100000735751_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B14R1.3723 COc1ccc(cc1OC(F)F)N[13CH3] 34a_100000735751_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B14R1.3723 COc1ccc(cc1SC(C)C)C#N 62a_100000210206_100000188253 [0,0,0,0,0,0|4,0,0]=4 84 B14R1.3723 COc1ccc(cc1SC(C)C)C=O 62a_100000173361_100000210206 [0,0,0,0,0,0|4,0,0]=4 85 B14R1.3723 COc1ccc(cc1SC(C)C)C=O 62a_100000210206_100000173361 [0,0,0,0,0,0|4,0,0]=4 86 B14R1.3723 COc1ccc(cc1SC(C)C)CN 62a_100000210206_100159240714 [0,0,0,0,0,0|4,0,0]=4 87 B14R1.3723 COc1ccc(cc1SC(C)C)CN 62a_100159240714_100000210206 [0,0,0,0,0,0|4,0,0]=4 88 B14R1.3723 COc1ccc(cc1SC(C)C)CO 62a_100000210206_100000246451 [0,0,0,0,0,0|4,0,0]=4 89 B14R1.3723 COc1ccc(cc1SC(C)C)CO 62a_100000246451_100000210206 [0,0,0,0,0,0|4,0,0]=4 90 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [1,0,0,0,0,0|1,1,1]=4 91 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [1,0,0,0,0,0|1,1,1]=4 92 B13R1.97 CCc1ccc(c(c1)NC(C)C)C 2230a_200012022522_100000210206 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.97 CCc1ccc(c(c1)NC(C)C)C 34a_200012022522_100000210206 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.97 CCc1ccc(c(c1)NC(C)C)C 7a_200012022522_100000210206 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.97 CCc1ccc(c(c1)NC(C)C)O 34a_100000765835_100000210206 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100000210206_100012339963 [1,0,0,0,0,0|3,0,0]=4 97 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100012339963_100000210206 [1,0,0,0,0,0|3,0,0]=4 98 B13R1.97 CNc1ccc(c(c1)SC(C)C)C 62a_100000210206_100000707694 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.97 CNc1ccc(c(c1)SC(C)C)C 62a_100000707694_100000210206 [1,0,0,0,0,0|3,0,0]=4 100 B13R1.97 COc1cc(c(cn1)C)SC(C)C 62a_100000210206_100010068546 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.97 COc1cc(c(cn1)C)SC(C)C 62a_100010068546_100000210206 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.97 COc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100012349166 [1,0,0,0,0,0|1,0,2]=4 103 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [1,0,0,0,0,0|1,0,2]=4 104 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100000761528 [1,0,0,0,0,0|2,0,1]=4 105 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000690513_200000210301 [1,0,0,0,0,0|2,0,1]=4 106 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000718613 [1,0,0,0,0,0|2,0,1]=4 107 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100010217559_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100000070787_100010243555 [1,0,0,0,0,0|2,0,1]=4 109 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100009868546_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100000690513_200025704644 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Cl 1458a_100010217559_200025704644 [1,0,0,0,0,0|2,0,1]=4 112 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100009868546_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.97 COc1ccc(c(c1)CN(C)C)Br 2230a_100102631434_100000761528 [1,0,0,0,0,0|3,0,0]=4 114 B13R1.97 COc1ccc(c(c1)CN(C)C)Br 269982a_100102631434_100000761528 [1,0,0,0,0,0|3,0,0]=4 115 B13R1.97 COc1ccc(c(c1)CN(C)C)Br 270004a_100102631434_100000691568 [1,0,0,0,0,0|3,0,0]=4 116 B13R1.97 COc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100012017359 [1,0,0,0,0,0|2,0,0]=3 117 B13R1.97 COc1ccc(c(c1)CN(C)C)Cl 2230a_100102631434_100000718613 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.97 COc1ccc(c(c1)CN(C)C)Cl 269982a_100102631434_100000718613 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.97 COc1ccc(c(c1)CN(C)C)Cl 270004a_100102631434_100000117592 [1,0,0,0,0,0|3,0,0]=4 120 B13R1.97 COc1ccc(c(c1)CN(C)C)F 2230a_100102631434_100010243555 [1,0,0,0,0,0|3,0,0]=4 121 B13R1.97 COc1ccc(c(c1)CN(C)C)F 269982a_100102631434_100010243555 [1,0,0,0,0,0|3,0,0]=4 122 B13R1.97 COc1ccc(c(c1)CN(C)C)F 270004a_100102631434_100000034340 [1,0,0,0,0,0|3,0,0]=4 123 B13R1.97 COc1ccc(c(c1)CN(C)C)I 270004a_100102631434_100010075557 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.97 COc1ccc(c(c1)CN(C)C)O 271570a_203496583355_100000727244 [1,0,0,0,0,0|2,0,0]=3 125 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 11a_100000760359_100015343762 [1,0,0,0,0,0|2,0,1]=4 126 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 1626a_100000760359_100015343762 [1,0,0,0,0,0|2,0,1]=4 127 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 22a_100000760359_100000070787 [1,0,0,0,0,0|2,0,1]=4 128 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 527a_100000760359_100103153847 [1,0,0,0,0,0|2,0,1]=4 129 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [1,0,0,0,0,0|2,0,1]=4 130 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [1,0,0,0,0,0|2,0,1]=4 131 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [1,0,0,0,0,0|2,0,1]=4 132 B13R1.97 COc1ccc(c(c1)NC(C)C)Br 34a_100000748603_100000210206 [1,0,0,0,0,0|3,0,0]=4 133 B13R1.97 COc1ccc(c(c1)NC(C)C)C 2230a_100000760359_100000210206 [1,0,0,0,0,0|2,0,0]=3 134 B13R1.97 COc1ccc(c(c1)NC(C)C)C 34a_100000760359_100000210206 [1,0,0,0,0,0|2,0,0]=3 135 B13R1.97 COc1ccc(c(c1)NC(C)C)Cl 34a_100000745576_100000210206 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.97 COc1ccc(c(c1)NC(C)C)F 34a_100000764331_100000210206 [1,0,0,0,0,0|3,0,0]=4 137 B13R1.97 COc1ccc(c(c1)NC(C)C)I 34a_100000748021_100000210206 [1,0,0,0,0,0|3,0,0]=4 138 B13R1.97 COc1ccc(c(c1)NC(C)C)O 34a_100000188146_100000210206 [1,0,0,0,0,0|2,0,0]=3 139 B13R1.97 COc1ccc(c(c1)OC(C)C)Br 34a_100000719091_100000210206 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.97 COc1ccc(c(c1)OC(C)C)Br 7a_100000719091_100000210206 [1,0,0,0,0,0|3,0,0]=4 141 B13R1.97 COc1ccc(c(c1)OC(C)C)C 34a_100012179981_100000210206 [1,0,0,0,0,0|2,0,0]=3 142 B13R1.97 COc1ccc(c(c1)OC(C)C)C 7a_100012179981_100000210206 [1,0,0,0,0,0|2,0,0]=3 143 B13R1.97 COc1ccc(c(c1)OC(C)C)Cl 34a_100011516019_100000210206 [1,0,0,0,0,0|3,0,0]=4 144 B13R1.97 COc1ccc(c(c1)OC(C)C)Cl 7a_100011516019_100000210206 [1,0,0,0,0,0|3,0,0]=4 145 B13R1.97 COc1ccc(c(c1)OC(C)C)F 34a_100012178750_100000210206 [1,0,0,0,0,0|3,0,0]=4 146 B13R1.97 COc1ccc(c(c1)OC(C)C)F 7a_100012178750_100000210206 [1,0,0,0,0,0|3,0,0]=4 147 B13R1.97 COc1ccc(c(c1)OC(C)C)I 34a_100010168831_100000210206 [1,0,0,0,0,0|3,0,0]=4 148 B13R1.97 COc1ccc(c(c1)OC(C)C)I 7a_100010168831_100000210206 [1,0,0,0,0,0|3,0,0]=4 149 B13R1.97 COc1ccc(c(c1)OC(C)C)N 34a_100016989039_100000210206 [1,0,0,0,0,0|3,0,0]=4 150 B13R1.97 COc1ccc(c(c1)OC(C)C)N 7a_100016989039_100000210206 [1,0,0,0,0,0|3,0,0]=4 151 B13R1.97 COc1ccc(c(c1)SC(C)C)Br 62a_100000210206_100009992028 [1,0,0,0,0,0|3,0,0]=4 152 B13R1.97 COc1ccc(c(c1)SC(C)C)Br 62a_100009992028_100000210206 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.97 COc1ccc(c(c1)SC(C)C)C 62a_100000210206_100012349166 [1,0,0,0,0,0|2,0,0]=3 154 B13R1.97 COc1ccc(c(c1)SC(C)C)C 62a_100012349166_100000210206 [1,0,0,0,0,0|2,0,0]=3 155 B13R1.97 COc1ccc(c(c1)SC(C)C)Cl 62a_100000210206_100011356938 [1,0,0,0,0,0|3,0,0]=4 156 B13R1.97 COc1ccc(c(c1)SC(C)C)Cl 62a_100011356938_100000210206 [1,0,0,0,0,0|3,0,0]=4 157 B13R1.97 COc1ccc(c(c1)SC(C)C)F 62a_100000210206_100000699733 [1,0,0,0,0,0|3,0,0]=4 158 B13R1.97 COc1ccc(c(c1)SC(C)C)F 62a_100000699733_100000210206 [1,0,0,0,0,0|3,0,0]=4 159 B13R1.97 COc1ccc(c(c1)SC(C)C)N 62a_100000210206_100015195136 [1,0,0,0,0,0|3,0,0]=4 160 B13R1.97 COc1ccc(c(c1)SC(C)C)N 62a_100015195136_100000210206 [1,0,0,0,0,0|3,0,0]=4 161 B13R1.97 COc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000685887 [1,0,0,0,0,0|2,0,0]=3 162 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [1,0,0,0,0,0|1,1,1]=4 163 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [1,0,0,0,0,0|1,1,1]=4 164 B13R1.97 CSc1ccc(c(c1)NC(C)C)C 62a_200000210301_200000714908 [1,0,0,0,0,0|2,1,0]=4 165 B13R1.97 CSc1ccc(c(c1)NC(C)C)C 62a_200000714908_200000210301 [1,0,0,0,0,0|2,1,0]=4 166 B13R1.97 CSc1ccc(c(c1)OC(C)C)C 62a_200000210301_200012359587 [1,0,0,0,0,0|2,1,0]=4 167 B13R1.97 CSc1ccc(c(c1)OC(C)C)C 62a_200012359587_200000210301 [1,0,0,0,0,0|2,1,0]=4 168 B13R1.97 Cc1ccc(cc1NC(C)C)S[13CH3] 62a_200000714908_200025704644 [1,0,0,0,0,0|2,1,0]=4 169 B13R1.97 Cc1ccc(cc1NC(C)C)S[13CH3] 62a_200025704644_200000714908 [1,0,0,0,0,0|2,1,0]=4 170 B13R1.97 Cc1ccc(cc1OC(C)C)S[13CH3] 62a_200012359587_200025704644 [1,0,0,0,0,0|2,1,0]=4 171 B13R1.97 Cc1ccc(cc1OC(C)C)S[13CH3] 62a_200025704644_200012359587 [1,0,0,0,0,0|2,1,0]=4 172 B13R1.355 C#Cc1ccc(cc1COC)OC 34a_200010997956_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B13R1.355 C#Cc1ccc(cc1COC)OC 7a_200010997956_200000210301 [1,0,0,0,0,0|2,0,1]=4 174 B13R1.355 C#Cc1ccc(cc1CO[13CH3])OC 34a_200010997956_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B13R1.355 C#Cc1ccc(cc1CO[13CH3])OC 7a_200010997956_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B13R1.355 C=C=Cc1cc(ccc1OC)OC 271570a_100015277604_100011215452 [1,0,0,0,0,0|0,0,3]=4 177 B13R1.355 C=CCc1cc(ccc1OC)OC 7a_200000185190_200000210301 [1,0,0,0,0,0|0,0,2]=3 178 B13R1.355 C=CCc1cc(ccc1O[13CH3])OC 7a_200000185190_200025704644 [1,0,0,0,0,0|0,0,2]=3 179 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [1,0,0,0,0,0|1,0,1]=3 180 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [1,0,0,0,0,0|2,0,1]=4 181 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [1,0,0,0,0,0|2,0,1]=4 182 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [1,0,0,0,0,0|2,0,1]=4 183 B13R1.355 C=Cc1ccc(cc1CCO)OC 271570a_100011290941_100012259501 [1,0,0,0,0,0|2,0,1]=4 184 B13R1.355 CC=Cc1cc(ccc1OC)CC 271570a_100016259895_100010062400 [1,0,0,0,0,0|1,0,2]=4 185 B13R1.355 CC=Cc1cc(ccc1OC)NC 271570a_100016259895_114948341033 [1,0,0,0,0,0|1,0,2]=4 186 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [1,0,0,0,0,0|0,0,2]=3 187 B13R1.355 CCNc1cc(ccc1C#N)OC 2230a_100000687564_100000210202 [1,0,0,0,0,0|3,0,0]=4 188 B13R1.355 CCNc1cc(ccc1C#N)OC 34a_100000687564_100000210202 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.355 CCNc1cc(ccc1C#N)OC 7a_100000687564_100000210202 [1,0,0,0,0,0|3,0,0]=4 190 B13R1.355 CCNc1cc(ccc1CO)OC 34a_100011998734_100000210202 [1,0,0,0,0,0|3,0,0]=4 191 B13R1.355 CCNc1cc(ccc1OC)C#N 34a_100000747721_100000210202 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.355 CCNc1cc(ccc1OC)C#N 7a_100000747721_100000210202 [1,0,0,0,0,0|3,0,0]=4 193 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [1,0,0,0,0,0|2,0,0]=3 194 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [1,0,0,0,0,0|2,0,0]=3 195 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [1,0,0,0,0,0|3,0,0]=4 196 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [1,0,0,0,0,0|3,0,0]=4 197 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [1,0,0,0,0,0|1,0,0]=2 198 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [1,0,0,0,0,0|1,0,0]=2 199 B13R1.355 CCOc1cc(ccc1C#N)OC 34a_100011999188_100000210202 [1,0,0,0,0,0|3,0,0]=4 200 B13R1.355 CCOc1cc(ccc1C#N)OC 7a_100011999188_100000210202 [1,0,0,0,0,0|3,0,0]=4 201 B13R1.355 CCOc1cc(ccc1N=O)OC 34a_200010658452_100000210202 [1,0,0,0,0,0|3,0,0]=4 202 B13R1.355 CCOc1cc(ccc1N=O)OC 7a_200010658452_100000210202 [1,0,0,0,0,0|3,0,0]=4 203 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [1,0,0,0,0,0|3,0,0]=4 205 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [1,0,0,0,0,0|3,0,0]=4 207 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [1,0,0,0,0,0|2,0,0]=3 208 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [1,0,0,0,0,0|2,0,0]=3 209 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [1,0,0,0,0,0|3,0,0]=4 212 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [1,0,0,0,0,0|3,0,0]=4 213 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [1,0,0,0,0,0|1,0,0]=2 214 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.355 CCOc1cc(nnc1OC)OC 34a_200010760773_100000210202 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.355 CCSc1cc(ccc1C#N)OC 62a_100000210202_100012355471 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.355 CCSc1cc(ccc1C=O)OC 62a_100000210202_100000723261 [1,0,0,0,0,0|3,0,0]=4 221 B13R1.355 CCSc1cc(ccc1C=O)OC 62a_100000723261_100000210202 [1,0,0,0,0,0|3,0,0]=4 222 B13R1.355 CCSc1cc(ccc1CO)OC 62a_100000210202_100011982768 [1,0,0,0,0,0|3,0,0]=4 223 B13R1.355 CCSc1cc(ccc1CO)OC 62a_100011982768_100000210202 [1,0,0,0,0,0|3,0,0]=4 224 B13R1.355 CCSc1cc(ccc1OC)C#N 62a_100000210202_100000188253 [1,0,0,0,0,0|3,0,0]=4 225 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [1,0,0,0,0,0|3,0,0]=4 226 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [1,0,0,0,0,0|3,0,0]=4 227 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [1,0,0,0,0,0|2,0,0]=3 228 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [1,0,0,0,0,0|2,0,0]=3 229 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100000210202_100159240714 [1,0,0,0,0,0|3,0,0]=4 230 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100159240714_100000210202 [1,0,0,0,0,0|3,0,0]=4 231 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000210202_100000246451 [1,0,0,0,0,0|3,0,0]=4 232 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000246451_100000210202 [1,0,0,0,0,0|3,0,0]=4 233 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [1,0,0,0,0,0|2,0,0]=3 234 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [1,0,0,0,0,0|2,0,0]=3 235 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [1,0,0,0,0,0|1,0,0]=2 236 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [1,0,0,0,0,0|1,0,0]=2 237 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [1,0,0,0,0,0|2,0,0]=3 238 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [1,0,0,0,0,0|2,0,0]=3 239 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [1,0,0,0,0,0|2,0,0]=3 240 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [1,0,0,0,0,0|3,0,0]=4 241 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [1,0,0,0,0,0|3,0,0]=4 242 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [1,0,0,0,0,0|3,0,0]=4 243 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [1,0,0,0,0,0|3,0,0]=4 245 B13R1.355 CNCc1cc(ccc1OC)C#N 207a_100102657272_100012017408 [1,0,0,0,0,0|3,0,0]=4 246 B13R1.355 CNCc1cc(ccc1OC)C#N 26a_100102657272_100000188611 [1,0,0,0,0,0|3,0,0]=4 247 B13R1.355 CNCc1cc(ccc1OC)C#N 270004a_106832991635_100012017408 [1,0,0,0,0,0|3,0,0]=4 248 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [1,0,0,0,0,0|3,0,0]=4 249 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [1,0,0,0,0,0|3,0,0]=4 250 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [1,0,0,0,0,0|3,0,0]=4 251 B13R1.355 CNCc1cc(ccc1OC)CO 26a_100102657272_100011215239 [1,0,0,0,0,0|3,0,0]=4 252 B13R1.355 CNCc1cc(ccc1OC)OC 207a_100102657272_100000170336 [1,0,0,0,0,0|1,0,0]=2 253 B13R1.355 CNCc1cc(ccc1OC)OC 26a_100102657272_100000074795 [1,0,0,0,0,0|1,0,0]=2 254 B13R1.355 CNCc1cc(ccc1OC)OC 270004a_106832991635_100000170336 [1,0,0,0,0,0|1,0,0]=2 255 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100000185951_200000210301 [1,0,0,0,0,0|1,0,0]=2 256 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100102657272_100011233847 [1,0,0,0,0,0|1,0,0]=2 257 B13R1.355 CNCc1cc(ccc1OC)OC 7a_106832991635_100000205131 [1,0,0,0,0,0|1,0,0]=2 258 B13R1.355 CNCc1cc(ccc1OC)SC 62a_100000690607_200000210301 [1,0,0,0,0,0|1,1,0]=3 259 B13R1.355 CNCc1cc(ccc1OC)SC 62a_200000210301_100000690607 [1,0,0,0,0,0|1,1,0]=3 260 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_100000690607_200025704644 [1,0,0,0,0,0|1,1,0]=3 261 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100000690607 [1,0,0,0,0,0|1,1,0]=3 262 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_100015361967_114948341033 [1,0,0,0,0,0|3,0,0]=4 263 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_114948341033_100015361967 [1,0,0,0,0,0|3,0,0]=4 264 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [1,0,0,0,0,0|3,0,0]=4 265 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [1,0,0,0,0,0|1,0,0]=2 266 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [1,0,0,0,0,0|1,0,0]=2 267 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [1,0,0,0,0,0|1,1,0]=3 268 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [1,0,0,0,0,0|1,1,0]=3 269 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [1,0,0,0,0,0|1,1,0]=3 270 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [1,0,0,0,0,0|1,1,0]=3 271 B13R1.355 COc1ccc(c(c1)CC#N)SC 62a_100012259381_200000210301 [1,0,0,0,0,0|0,1,2]=4 272 B13R1.355 COc1ccc(c(c1)CC#N)SC 62a_200000210301_100012259381 [1,0,0,0,0,0|0,1,2]=4 273 B13R1.355 COc1ccc(c(c1)CC#N)S[13CH3] 62a_100012259381_200025704644 [1,0,0,0,0,0|0,1,2]=4 274 B13R1.355 COc1ccc(c(c1)CC#N)S[13CH3] 62a_200025704644_100012259381 [1,0,0,0,0,0|0,1,2]=4 275 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_100012259501_200000210301 [1,0,0,0,0,0|1,1,0]=3 276 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_200000210301_100012259501 [1,0,0,0,0,0|1,1,0]=3 277 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_100012259501_200025704644 [1,0,0,0,0,0|1,1,0]=3 278 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_200025704644_100012259501 [1,0,0,0,0,0|1,1,0]=3 279 B13R1.355 COc1ccc(c(c1)CN[13CH3])OC 34a_100000185951_200025704644 [1,0,0,0,0,0|1,0,0]=2 280 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [1,0,0,0,0,0|1,0,0]=2 281 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_100000205131_200000210301 [1,0,0,0,0,0|1,0,0]=2 282 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_200000210301_100011233847 [1,0,0,0,0,0|1,0,0]=2 283 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_100000205131_200025704644 [1,0,0,0,0,0|1,0,0]=2 284 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_200025704644_100011233847 [1,0,0,0,0,0|1,0,0]=2 285 B13R1.355 COc1ccc(c(c1)NCF)OC 34a_100000184736_100015361967 [1,0,0,0,0,0|2,0,0]=3 286 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [1,0,0,0,0,0|2,0,0]=3 287 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100011215452_100015361967 [1,0,0,0,0,0|2,0,0]=3 288 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100015361967_100011215452 [1,0,0,0,0,0|2,0,0]=3 289 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200000210301_200011218486 [1,0,0,0,0,0|0,1,2]=4 290 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200011218486_200000210301 [1,0,0,0,0,0|0,1,2]=4 291 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200011218486_200025704644 [1,0,0,0,0,0|0,1,2]=4 292 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200025704644_200011218486 [1,0,0,0,0,0|0,1,2]=4 293 B13R1.355 COc1ccc(cc1CCN)SC 62a_100000763266_200000210301 [1,0,0,0,0,0|0,1,0]=2 294 B13R1.355 COc1ccc(cc1CCN)SC 62a_200000210301_100000763266 [1,0,0,0,0,0|0,1,0]=2 295 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_100000763266_200025704644 [1,0,0,0,0,0|0,1,0]=2 296 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_200025704644_100000763266 [1,0,0,0,0,0|0,1,0]=2 297 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [1,0,0,0,0,0|3,0,0]=4 299 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [1,0,0,0,0,0|3,0,0]=4 301 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 34a_200010006938_200025704644 [1,0,0,0,0,0|2,0,1]=4 302 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 7a_200010006938_200025704644 [1,0,0,0,0,0|2,0,1]=4 303 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.3089 CN(C)Cc1cc(ccc1S[13CH3])O 62a_100011934597_200025704644 [1,0,0,0,0,0|2,1,0]=4 306 B13R1.3089 CN(C)Cc1cc(ccc1S[13CH3])O 62a_200025704644_100011934597 [1,0,0,0,0,0|2,1,0]=4 307 B13R1.3089 CNc1ccc(cc1SC(C)C)C 62a_100000210206_100000221369 [1,0,0,0,0,0|3,0,0]=4 308 B13R1.3089 CNc1ccc(cc1SC(C)C)C 62a_100000221369_100000210206 [1,0,0,0,0,0|3,0,0]=4 309 B13R1.3089 COc1ccc(cc1C=C(C)C)C 271570a_100102525489_100000186399 [1,0,0,0,0,0|1,0,2]=4 310 B13R1.3089 COc1ccc(cc1C=C(C)C)O 271570a_100102525489_100010084122 [1,0,0,0,0,0|1,0,2]=4 311 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000204665 [1,0,0,0,0,0|2,0,1]=4 312 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000763194_200000210301 [1,0,0,0,0,0|2,0,1]=4 313 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 34a_200010006938_200000210301 [1,0,0,0,0,0|2,0,1]=4 314 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 7a_200010006938_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [1,0,0,0,0,0|1,0,1]=3 316 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [1,0,0,0,0,0|1,0,1]=3 317 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100000209806 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000209874_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000070787_100011830354 [1,0,0,0,0,0|2,0,1]=4 320 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000707523_200000210301 [1,0,0,0,0,0|2,0,1]=4 321 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [1,0,0,0,0,0|1,0,1]=3 322 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Br 1458a_100000763194_200025704644 [1,0,0,0,0,0|2,0,1]=4 323 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [1,0,0,0,0,0|1,0,1]=3 324 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Cl 1458a_100000209874_200025704644 [1,0,0,0,0,0|2,0,1]=4 325 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])F 1458a_100000707523_200025704644 [1,0,0,0,0,0|2,0,1]=4 326 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100000690607_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100102631434_100000204665 [1,0,0,0,0,0|3,0,0]=4 328 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100000690607_200000210301 [1,0,0,0,0,0|3,0,0]=4 329 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100102631434_100000204665 [1,0,0,0,0,0|3,0,0]=4 330 B13R1.3089 COc1ccc(cc1CN(C)C)Br 270004a_100102631434_100000170026 [1,0,0,0,0,0|3,0,0]=4 331 B13R1.3089 COc1ccc(cc1CN(C)C)C 2230a_100102631434_100000199068 [1,0,0,0,0,0|2,0,0]=3 332 B13R1.3089 COc1ccc(cc1CN(C)C)C 269982a_100102631434_100000199068 [1,0,0,0,0,0|2,0,0]=3 333 B13R1.3089 COc1ccc(cc1CN(C)C)C 270004a_100102631434_100000203738 [1,0,0,0,0,0|2,0,0]=3 334 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100000737271_200000210301 [1,0,0,0,0,0|3,0,0]=4 335 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100000209806 [1,0,0,0,0,0|3,0,0]=4 336 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100000737271_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100000209806 [1,0,0,0,0,0|3,0,0]=4 338 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100000188328 [1,0,0,0,0,0|3,0,0]=4 339 B13R1.3089 COc1ccc(cc1CN(C)C)F 2230a_100102631434_100011830354 [1,0,0,0,0,0|3,0,0]=4 340 B13R1.3089 COc1ccc(cc1CN(C)C)F 269982a_100102631434_100011830354 [1,0,0,0,0,0|3,0,0]=4 341 B13R1.3089 COc1ccc(cc1CN(C)C)F 270004a_100102631434_100000722865 [1,0,0,0,0,0|3,0,0]=4 342 B13R1.3089 COc1ccc(cc1CN(C)C)I 270004a_100102631434_100011266407 [1,0,0,0,0,0|3,0,0]=4 343 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 2230a_100000690607_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 269982a_100000690607_200025704644 [1,0,0,0,0,0|3,0,0]=4 345 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 2230a_100000737271_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 269982a_100000737271_200025704644 [1,0,0,0,0,0|3,0,0]=4 347 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [1,0,0,0,0,0|2,0,1]=4 348 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [1,0,0,0,0,0|2,0,1]=4 349 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [1,0,0,0,0,0|2,0,1]=4 350 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [1,0,0,0,0,0|2,0,1]=4 351 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [1,0,0,0,0,0|2,0,1]=4 352 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [1,0,0,0,0,0|2,0,1]=4 353 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [1,0,0,0,0,0|2,0,1]=4 354 B13R1.3089 COc1ccc(cc1NC(C)C)Br 34a_100000743470_100000210206 [1,0,0,0,0,0|3,0,0]=4 355 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [1,0,0,0,0,0|2,0,0]=3 356 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [1,0,0,0,0,0|2,0,0]=3 357 B13R1.3089 COc1ccc(cc1NC(C)C)Cl 34a_100000182114_100000210206 [1,0,0,0,0,0|3,0,0]=4 358 B13R1.3089 COc1ccc(cc1NC(C)C)F 34a_100000757179_100000210206 [1,0,0,0,0,0|3,0,0]=4 359 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [1,0,0,0,0,0|2,0,1]=4 360 B13R1.3089 COc1ccc(cc1OC(C)C)Br 34a_100009816560_100000210206 [1,0,0,0,0,0|3,0,0]=4 361 B13R1.3089 COc1ccc(cc1OC(C)C)Br 7a_100009816560_100000210206 [1,0,0,0,0,0|3,0,0]=4 362 B13R1.3089 COc1ccc(cc1OC(C)C)C 34a_100011216497_100000210206 [1,0,0,0,0,0|2,0,0]=3 363 B13R1.3089 COc1ccc(cc1OC(C)C)C 7a_100011216497_100000210206 [1,0,0,0,0,0|2,0,0]=3 364 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 34a_100000101779_100000210206 [1,0,0,0,0,0|3,0,0]=4 365 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 7a_100000101779_100000210206 [1,0,0,0,0,0|3,0,0]=4 366 B13R1.3089 COc1ccc(cc1OC(C)C)F 34a_100000034962_100000210206 [1,0,0,0,0,0|3,0,0]=4 367 B13R1.3089 COc1ccc(cc1OC(C)C)F 7a_100000034962_100000210206 [1,0,0,0,0,0|3,0,0]=4 368 B13R1.3089 COc1ccc(cc1OC(C)C)N 34a_100000211920_100000210206 [1,0,0,0,0,0|3,0,0]=4 369 B13R1.3089 COc1ccc(cc1OC(C)C)O 271570a_203496583355_200010232110 [1,0,0,0,0,0|2,0,0]=3 370 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100000210206_100012351588 [1,0,0,0,0,0|3,0,0]=4 371 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100012351588_100000210206 [1,0,0,0,0,0|3,0,0]=4 372 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000186399_100000210206 [1,0,0,0,0,0|2,0,0]=3 373 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000210206_100000186399 [1,0,0,0,0,0|2,0,0]=3 374 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011215930 [1,0,0,0,0,0|3,0,0]=4 375 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100011215930_100000210206 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000171694_100000210206 [1,0,0,0,0,0|3,0,0]=4 377 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000210206_100000171694 [1,0,0,0,0,0|3,0,0]=4 378 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100000210206_100011356947 [1,0,0,0,0,0|3,0,0]=4 379 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100011356947_100000210206 [1,0,0,0,0,0|3,0,0]=4 380 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100000210206_100010234764 [1,0,0,0,0,0|2,0,0]=3 381 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100010234764_100000210206 [1,0,0,0,0,0|2,0,0]=3 382 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100000210206_100009820875 [1,0,0,0,0,0|3,0,0]=4 383 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100009820875_100000210206 [1,0,0,0,0,0|3,0,0]=4 384 B13R1.3089 COc1cnc(cc1SC(C)C)C 62a_100000210206_100010109759 [1,0,0,0,0,0|3,0,0]=4 385 B13R1.3089 COc1cnc(cc1SC(C)C)C 62a_100010109759_100000210206 [1,0,0,0,0,0|3,0,0]=4 386 B13R1.3089 COc1ncc(cc1CN(C)C)C 270004a_100102631434_100000118322 [1,0,0,0,0,0|3,0,0]=4 387 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100000210206_100012353929 [1,0,0,0,0,0|3,0,0]=4 388 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100012353929_100000210206 [1,0,0,0,0,0|3,0,0]=4 389 B13R1.3089 CSc1ccc(cc1CN(C)C)O 62a_100011934597_200000210301 [1,0,0,0,0,0|2,1,0]=4 390 B13R1.3089 CSc1ccc(cc1CN(C)C)O 62a_200000210301_100011934597 [1,0,0,0,0,0|2,1,0]=4 391 B13R1.3089 CSc1ccc(cc1SC(C)C)C 62a_100000210206_200010201864 [1,0,0,0,0,0|2,1,0]=4 392 B13R1.3089 CSc1ccc(cc1SC(C)C)C 62a_200010201864_100000210206 [1,0,0,0,0,0|2,1,0]=4 393 B15R1.91 C=C(C)c1ccc(cc1CN(C)C)OC 271570a_100000694244_100000727244 [0,1,0,0,0,0|3,0,0]=4 394 B15R1.91 COc1ccc(c(c1)NC(C)C)C(C)C 2230a_100009963057_100000210206 [0,1,0,0,0,0|3,0,0]=4 395 B15R1.91 COc1ccc(c(c1)NC(C)C)C(C)C 34a_100009963057_100000210206 [0,1,0,0,0,0|3,0,0]=4 396 B15R1.91 COc1ccc(c(c1)NC(C)C)C(C)C 7a_100009963057_100000210206 [0,1,0,0,0,0|3,0,0]=4 397 B15R1.91 COc1ccc(c(c1)OC(C)C)C(=O)C 1458a_100000717572_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B15R1.91 COc1ccc(c(c1)OC(C)C)C(=O)C 34a_100000185565_100000210206 [0,1,0,0,0,0|3,0,0]=4 399 B15R1.91 COc1ccc(c(c1)OC(C)C)C(=O)C 7a_100000185565_100000210206 [0,1,0,0,0,0|3,0,0]=4 400 B15R1.91 COc1ccc(c(c1)OC(C)C)C(=O)[13CH3] 1458a_100000717572_200025704644 [0,1,0,0,0,0|3,0,0]=4 401 B15R1.91 COc1ccc(c(c1)SC(C)C)C(=O)C 62a_100000697255_100000210206 [0,1,0,0,0,0|3,0,0]=4 402 B15R1.91 COc1ccc(c(c1)SC(C)C)C(C)O 62a_100000210206_100000697252 [0,1,0,0,0,0|3,0,0]=4 403 B15R1.91 COc1ccc(c(c1)SC(C)C)C(C)O 62a_100000697252_100000210206 [0,1,0,0,0,0|3,0,0]=4 404 B15R1.717 COc1cc(c(c(c1)C=C(C)C)OC)N 271570a_100102525489_100010294495 [0,1,0,0,0,0|1,0,2]=4 405 B15R1.717 COc1cc(c(c(c1)C=C(C)C)OC)O 271570a_100102525489_200020900881 [0,1,0,0,0,0|1,0,2]=4 406 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 11a_100010294495_100015343762 [0,1,0,0,0,0|2,0,1]=4 407 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 1626a_100010294495_100015343762 [0,1,0,0,0,0|2,0,1]=4 408 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 22a_100010294495_100000070787 [0,1,0,0,0,0|2,0,1]=4 409 B15R1.717 COc1cc(c(c(c1)NC(=O)C)OC)Br 527a_100010294495_100103153847 [0,1,0,0,0,0|2,0,1]=4 410 B15R1.717 COc1cc(c(c(c1)NC(C)C)OC)Br 34a_100010294495_100000210206 [0,1,0,0,0,0|2,0,0]=3 411 B15R1.717 COc1cc(c(c(c1)OC(C)C)OC)Br 34a_200020900881_100000210206 [0,1,0,0,0,0|2,0,0]=3 412 B15R1.717 COc1cc(c(c(c1)SC(C)C)OC)N 62a_100000210206_100010294495 [0,1,0,0,0,0|2,0,0]=3 413 B15R1.717 COc1cc(c(c(c1)SC(C)C)OC)N 62a_100010294495_100000210206 [0,1,0,0,0,0|2,0,0]=3 414 B15R1.717 COc1cc(c(c(c1)SC(C)C)OC)O 62a_100000210206_200020900881 [0,1,0,0,0,0|2,0,0]=3 415 B15R1.1788 CCc1cc(c(cc1C)OC)OC(C)C 34a_200010661296_100000210206 [0,1,0,0,0,0|3,0,0]=4 416 B15R1.1788 CCc1cc(c(cc1C)OC)OC(C)C 7a_200010661296_100000210206 [0,1,0,0,0,0|3,0,0]=4 417 B15R1.1788 COc1cc(c(cc1Br)OC)C=C(C)C 271570a_100102525489_100013799044 [0,1,0,0,0,0|1,0,2]=4 418 B15R1.1788 COc1cc(c(cc1Br)OC)CN(C)C 270004a_100102631434_100000188581 [0,1,0,0,0,0|2,0,0]=3 419 B15R1.1788 COc1cc(c(cc1Br)OC)OC(C)C 34a_100009816818_100000210206 [0,1,0,0,0,0|2,0,0]=3 420 B15R1.1788 COc1cc(c(cc1Br)OC)OC(C)C 7a_100009816818_100000210206 [0,1,0,0,0,0|2,0,0]=3 421 B15R1.1788 COc1cc(c(cc1Br)OC)SC(C)C 62a_100000210206_100013799044 [0,1,0,0,0,0|2,0,0]=3 422 B15R1.1788 COc1cc(c(cc1Br)OC)SC(C)C 62a_100013799044_100000210206 [0,1,0,0,0,0|2,0,0]=3 423 B15R1.1788 COc1cc(c(cc1C)OC)C=C(C)C 271570a_100102525489_100000039368 [0,1,0,0,0,0|1,0,2]=4 424 B15R1.1788 COc1cc(c(cc1C)OC)CN(C)C 270004a_100102631434_100000079178 [0,1,0,0,0,0|2,0,0]=3 425 B15R1.1788 COc1cc(c(cc1C)OC)SC(C)C 62a_100000039368_100000210206 [0,1,0,0,0,0|2,0,0]=3 426 B15R1.1788 COc1cc(c(cc1C)OC)SC(C)C 62a_100000210206_100000039368 [0,1,0,0,0,0|2,0,0]=3 427 B15R1.1788 COc1cc(c(cc1Cl)OC)C=C(C)C 271570a_100102525489_100000023288 [0,1,0,0,0,0|1,0,2]=4 428 B15R1.1788 COc1cc(c(cc1Cl)OC)CN(C)C 270004a_100102631434_100010168916 [0,1,0,0,0,0|2,0,0]=3 429 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 11a_100000179761_100015343762 [0,1,0,0,0,0|2,0,1]=4 430 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 1626a_100000179761_100015343762 [0,1,0,0,0,0|2,0,1]=4 431 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(=O)C 22a_100000179761_100000070787 [0,1,0,0,0,0|2,0,1]=4 432 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(C)C 2230a_100000179761_100000210206 [0,1,0,0,0,0|2,0,0]=3 433 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(C)C 34a_100000179761_100000210206 [0,1,0,0,0,0|2,0,0]=3 434 B15R1.1788 COc1cc(c(cc1Cl)OC)SC(C)C 62a_100000023288_100000210206 [0,1,0,0,0,0|2,0,0]=3 435 B15R1.1788 COc1cc(c(cc1Cl)OC)SC(C)C 62a_100000210206_100000023288 [0,1,0,0,0,0|2,0,0]=3 436 B15R1.1788 COc1cc(c(cc1I)OC)CN(C)C 270004a_100102631434_200010262236 [0,1,0,0,0,0|2,0,0]=3 437 B15R1.1788 COc1cc(c(cc1O)OC)C=C(C)C 271570a_100102525489_100009816818 [0,1,0,0,0,0|1,0,2]=4 438 B15R1.1870 COc1ccc(c(c1F)C=C(C)C)OC 271570a_100102525489_200016180952 [0,1,0,0,0,0|1,0,2]=4 439 B15R1.1870 COc1ccc(c(c1F)SC(C)C)OC 62a_100000210206_200016180952 [0,1,0,0,0,0|2,0,0]=3 440 B15R1.1870 COc1ccc(c(c1F)SC(C)C)OC 62a_200016180952_100000210206 [0,1,0,0,0,0|2,0,0]=3 441 B15R1.1873 CCc1ccc(c(c1)C(=O)C(C)C)OC 34a_100011659499_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B15R1.1873 CCc1ccc(c(c1)C(=O)C(C)C)OC 7a_100011659499_200000210301 [0,1,0,0,0,0|2,0,1]=4 443 B15R1.1873 CCc1ccc(c(c1)C(=O)C(C)C)O[13CH3] 34a_100011659499_200025704644 [0,1,0,0,0,0|2,0,1]=4 444 B15R1.1873 CCc1ccc(c(c1)C(=O)C(C)C)O[13CH3] 7a_100011659499_200025704644 [0,1,0,0,0,0|2,0,1]=4 445 B15R1.1873 COc1ccc(c(c1)C(=C(C)C)C)OC 271570a_200000049429_100011215452 [0,1,0,0,0,0|1,0,2]=4 446 B15R1.1873 COc1ccc(c(c1)C(=O)C(C)C)OC 1458a_100000185243_100000210206 [0,1,0,0,0,0|1,0,1]=3 447 B15R1.1873 COc1ccc(c(c1)C(=O)N(C)C)OC 11a_100102631434_100000185243 [0,1,0,0,0,0|2,0,1]=4 448 B15R1.1873 COc1ccc(c(c1)C(=O)N(C)C)OC 1626a_100102631434_100000185243 [0,1,0,0,0,0|2,0,1]=4 449 B15R1.1873 COc1ccc(c(c1)C(=O)N(C)C)OC 240690a_100102631434_100000185243 [0,1,0,0,0,0|2,0,1]=4 450 B15R1.1873 COc1ccc(c(c1)C(=O)N(C)C)OC 527a_100102631434_100000185243 [0,1,0,0,0,0|2,0,1]=4 451 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 11a_100000221073_100015343762 [0,1,0,0,0,0|2,0,1]=4 452 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 1626a_100000221073_100015343762 [0,1,0,0,0,0|2,0,1]=4 453 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 22a_100000221073_100000070787 [0,1,0,0,0,0|2,0,1]=4 454 B15R1.1873 COc1ccc(c(c1)N(C)C(=O)C)OC 527a_100000221073_100103153847 [0,1,0,0,0,0|2,0,1]=4 455 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 2230a_100000221073_100000210206 [0,1,0,0,0,0|2,0,0]=3 456 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 269982a_100000221073_100000210206 [0,1,0,0,0,0|2,0,0]=3 457 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 34a_100000221073_100000210206 [0,1,0,0,0,0|2,0,0]=3 458 B15R1.1910 C#CC(=O)Cc1cc(ccc1OC)OC 1458a_100000211873_100000205131 [0,1,0,0,0,0|1,0,2]=4 459 B15R1.1910 C#CC(C)Nc1cc(ccc1OC)CC 34a_100012035449_200000035995 [0,1,0,0,0,0|3,0,0]=4 460 B15R1.1910 C#CC(C)Nc1cc(ccc1OC)OC 34a_100000184736_200000035995 [0,1,0,0,0,0|2,0,0]=3 461 B15R1.1910 C#CC(C)Oc1cc(ccc1OC)CC 34a_100009844796_200000035995 [0,1,0,0,0,0|3,0,0]=4 462 B15R1.1910 C#CC(C)Oc1cc(ccc1OC)OC 34a_100000074795_200000035995 [0,1,0,0,0,0|2,0,0]=3 463 B15R1.1910 C#CC(C)Sc1cc(ccc1OC)CC 62a_200000035995_100010062400 [0,1,0,0,0,0|3,0,0]=4 464 B15R1.1910 C#CC(C)Sc1cc(ccc1OC)NC 62a_200000035995_114948341033 [0,1,0,0,0,0|3,0,0]=4 465 B15R1.1910 C#CC(C)Sc1cc(ccc1OC)OC 62a_200000035995_100011215452 [0,1,0,0,0,0|2,0,0]=3 466 B15R1.1910 C=CC(=O)Cc1cc(ccc1OC)OC 1458a_100000185746_100000205131 [0,1,0,0,0,0|1,0,2]=4 467 B15R1.1910 C=CC(C)Sc1cc(ccc1OC)CC 62a_100011215867_100010062400 [0,1,0,0,0,0|3,0,0]=4 468 B15R1.1910 C=CC(C)Sc1cc(ccc1OC)NC 62a_100011215867_114948341033 [0,1,0,0,0,0|3,0,0]=4 469 B15R1.1910 C=CC(C)Sc1cc(ccc1OC)OC 62a_100011215867_100011215452 [0,1,0,0,0,0|2,0,0]=3 470 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000210414_100000205131 [0,1,0,0,0,0|1,0,1]=3 471 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000210202 [0,1,0,0,0,0|1,0,1]=3 472 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 11a_100000184736_100000210414 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 1626a_100000184736_100000210414 [0,1,0,0,0,0|2,0,1]=4 474 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 22a_100000184736_100000210414 [0,1,0,0,0,0|2,0,1]=4 475 B15R1.1910 CCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000758301 [0,1,0,0,0,0|2,0,0]=3 476 B15R1.1910 CCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100011215416 [0,1,0,0,0,0|2,0,0]=3 477 B15R1.1910 CCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100011215416 [0,1,0,0,0,0|2,0,0]=3 478 B15R1.1910 CCC(C)Sc1cc(ccc1OC)NC 62a_100000758301_114948341033 [0,1,0,0,0,0|3,0,0]=4 479 B15R1.1910 CCC(C)Sc1cc(ccc1OC)NC 62a_114948341033_100000758301 [0,1,0,0,0,0|3,0,0]=4 480 B15R1.1910 CCC(C)Sc1cc(ccc1OC)OC 62a_100000758301_100011215452 [0,1,0,0,0,0|2,0,0]=3 481 B15R1.1910 CCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000758301 [0,1,0,0,0,0|2,0,0]=3 482 B15R1.1910 CCN(C)Cc1cc(ccc1OC)OC 269982a_100000225621_100011233847 [0,1,0,0,0,0|2,0,0]=3 483 B15R1.1910 CCN(C)Cc1cc(ccc1OC)OC 26a_100000225621_100000074795 [0,1,0,0,0,0|2,0,0]=3 484 B15R1.1910 CCc1ccc(c(c1)CN(C)CC)OC 26a_100000225621_100009844796 [0,1,0,0,0,0|3,0,0]=4 485 B15R1.1910 CCc1ccc(c(c1)NC(C)C#N)OC 2230a_100012035449_100000184139 [0,1,0,0,0,0|2,0,1]=4 486 B15R1.1910 CCc1ccc(c(c1)NC(C)CC)OC 2230a_100012035449_100000758301 [0,1,0,0,0,0|3,0,0]=4 487 B15R1.1910 CCc1ccc(c(c1)NC(C)CC)OC 34a_100012035449_100011215416 [0,1,0,0,0,0|3,0,0]=4 488 B15R1.1910 CCc1ccc(c(c1)NC(C)CO)OC 2230a_100012035449_100012180447 [0,1,0,0,0,0|3,0,0]=4 489 B15R1.1910 CCc1ccc(c(c1)NC(C)CO)OC 34a_100012035449_100012180447 [0,1,0,0,0,0|3,0,0]=4 490 B15R1.1910 CCc1ccc(c(c1)OC(C)C#N)OC 7a_100009844796_100000703298 [0,1,0,0,0,0|2,0,1]=4 491 B15R1.1910 CCc1ccc(c(c1)OC(C)CC)OC 34a_100009844796_100011215416 [0,1,0,0,0,0|3,0,0]=4 492 B15R1.1910 CCc1ccc(c(c1)OC(C)CC)OC 7a_100009844796_100000758301 [0,1,0,0,0,0|3,0,0]=4 493 B15R1.1910 CCc1ccc(c(c1)OC(C)CO)OC 34a_100009844796_100012180447 [0,1,0,0,0,0|3,0,0]=4 494 B15R1.1910 CCc1ccc(c(c1)OC(C)CO)OC 7a_100009844796_100012180447 [0,1,0,0,0,0|3,0,0]=4 495 B15R1.1910 CCc1ccc(c(c1)SC(C)C#N)OC 62a_100000703298_100010062400 [0,1,0,0,0,0|2,0,1]=4 496 B15R1.1910 CCc1ccc(c(c1)SC(C)C#N)OC 62a_100010062400_100000703298 [0,1,0,0,0,0|2,0,1]=4 497 B15R1.1910 CCc1ccc(c(c1)SC(C)CC)OC 62a_100000758301_100010062400 [0,1,0,0,0,0|3,0,0]=4 498 B15R1.1910 CCc1ccc(c(c1)SC(C)CC)OC 62a_100010062400_100000758301 [0,1,0,0,0,0|3,0,0]=4 499 B15R1.1910 CCc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_100010062400 [0,1,0,0,0,0|3,0,0]=4 500 B15R1.1910 CCc1ccc(c(c1)SC(C)OC)OC 62a_100009879195_100010062400 [0,1,0,0,0,0|3,0,0]=4 501 B15R1.1910 CCc1ccc(c(c1)SC(C)OC)OC 62a_100010062400_100009879195 [0,1,0,0,0,0|3,0,0]=4 502 B15R1.1910 CCc1ccc(c(c1)S[C@H](C)CO)OC 62a_100010062400_100016084084 [0,1,0,0,0,0|3,0,0]=4 503 B15R1.1910 CCc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_100010062400 [0,1,0,0,0,0|3,0,0]=4 504 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 11a_106832991635_100000212042 [0,1,0,0,0,0|1,0,1]=3 505 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 1626a_100102657272_100000212042 [0,1,0,0,0,0|1,0,1]=3 506 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 240690a_100102657272_100000212042 [0,1,0,0,0,0|1,0,1]=3 507 B15R1.1910 CNC(=O)Cc1cc(ccc1OC)OC 527a_100102657272_100000212042 [0,1,0,0,0,0|1,0,1]=3 508 B15R1.1910 CNC(=O)Nc1cc(ccc1OC)OC 2430a_100000184736_100102657272 [0,1,0,0,0,0|2,0,1]=4 509 B15R1.1910 CNc1ccc(c(c1)SC(C)C#N)OC 62a_100000703298_114948341033 [0,1,0,0,0,0|2,0,1]=4 510 B15R1.1910 CNc1ccc(c(c1)SC(C)C#N)OC 62a_114948341033_100000703298 [0,1,0,0,0,0|2,0,1]=4 511 B15R1.1910 CNc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_114948341033 [0,1,0,0,0,0|3,0,0]=4 512 B15R1.1910 CNc1ccc(c(c1)SC(C)OC)OC 62a_100009879195_114948341033 [0,1,0,0,0,0|3,0,0]=4 513 B15R1.1910 CNc1ccc(c(c1)SC(C)OC)OC 62a_114948341033_100009879195 [0,1,0,0,0,0|3,0,0]=4 514 B15R1.1910 CNc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_114948341033 [0,1,0,0,0,0|3,0,0]=4 515 B15R1.1910 CNc1ccc(c(c1)S[C@H](C)CO)OC 62a_114948341033_100016084084 [0,1,0,0,0,0|3,0,0]=4 516 B15R1.1910 COC(=O)Cc1cc(ccc1OC)SC 62a_100012362489_200000210301 [0,1,0,0,0,0|1,1,1]=4 517 B15R1.1910 COC(=O)Cc1cc(ccc1OC)S[13CH3] 62a_100012362489_200025704644 [0,1,0,0,0,0|1,1,1]=4 518 B15R1.1910 COc1ccc(c(c1)CC(=O)CF)OC 1458a_100000212042_100015361967 [0,1,0,0,0,0|1,0,1]=3 519 B15R1.1910 COc1ccc(c(c1)CC(=O)CO)OC 1458a_100000210174_100000205131 [0,1,0,0,0,0|1,0,1]=3 520 B15R1.1910 COc1ccc(c(c1)NC(=O)CO)OC 22a_100000184736_100000210174 [0,1,0,0,0,0|2,0,1]=4 521 B15R1.1910 COc1ccc(c(c1)NC(C)C#N)OC 2230a_100000184736_100000184139 [0,1,0,0,0,0|1,0,1]=3 522 B15R1.1910 COc1ccc(c(c1)NC(C)CO)OC 2230a_100000184736_100012180447 [0,1,0,0,0,0|2,0,0]=3 523 B15R1.1910 COc1ccc(c(c1)NC(C)CO)OC 34a_100000184736_100012180447 [0,1,0,0,0,0|2,0,0]=3 524 B15R1.1910 COc1ccc(c(c1)OC(C)CO)OC 34a_100000074795_100012180447 [0,1,0,0,0,0|2,0,0]=3 525 B15R1.1910 COc1ccc(c(c1)SC(C)C#N)OC 62a_100000703298_100011215452 [0,1,0,0,0,0|1,0,1]=3 526 B15R1.1910 COc1ccc(c(c1)SC(C)C#N)OC 62a_100011215452_100000703298 [0,1,0,0,0,0|1,0,1]=3 527 B15R1.1910 COc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_100011215452 [0,1,0,0,0,0|2,0,0]=3 528 B15R1.1910 COc1ccc(c(c1)SC(C)OC)OC 62a_100009879195_100011215452 [0,1,0,0,0,0|2,0,0]=3 529 B15R1.1910 COc1ccc(c(c1)SC(C)OC)OC 62a_100011215452_100009879195 [0,1,0,0,0,0|2,0,0]=3 530 B15R1.1910 COc1ccc(c(c1)SC(F)C#N)OC 62a_100011215452_200000117898 [0,1,0,0,0,0|2,0,1]=4 531 B15R1.1910 COc1ccc(c(c1)SC(F)C#N)OC 62a_200000117898_100011215452 [0,1,0,0,0,0|2,0,1]=4 532 B15R1.1910 COc1ccc(c(c1)S[C@H](C)CO)OC 62a_100011215452_100016084084 [0,1,0,0,0,0|2,0,0]=3 533 B15R1.1910 COc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_100011215452 [0,1,0,0,0,0|2,0,0]=3 534 B15R1.4512 C=C(C)c1ccc(c(c1)CC(=O)C)OC 271570a_100000694244_200011493461 [0,1,0,0,0,0|2,0,1]=4 535 B15R1.4512 C=C(C)c1ccc(c(c1)OC(C)C)OC 271570a_100000694244_200010232110 [0,1,0,0,0,0|3,0,0]=4 536 B15R1.4512 COc1ccc(cc1CC(=O)C)C(=O)C 1458a_100000070787_100000199119 [0,1,0,0,0,0|2,0,1]=4 537 B15R1.4512 COc1ccc(cc1CN(C)C)C(=O)C 2230a_100102631434_100000199119 [0,1,0,0,0,0|3,0,0]=4 538 B15R1.4512 COc1ccc(cc1CN(C)C)C(=O)C 269982a_100102631434_100000199119 [0,1,0,0,0,0|3,0,0]=4 539 B15R1.4512 COc1ccc(cc1CN(C)C)C(C)C 270004a_100102631434_200011216500 [0,1,0,0,0,0|3,0,0]=4 540 B15R1.4512 COc1ccc(cc1OC(C)C)C(=O)C 1458a_100011217381_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B15R1.4512 COc1ccc(cc1OC(C)C)C(=O)C 34a_100000732934_100000210206 [0,1,0,0,0,0|3,0,0]=4 542 B15R1.4512 COc1ccc(cc1OC(C)C)C(=O)C 7a_100000732934_100000210206 [0,1,0,0,0,0|3,0,0]=4 543 B15R1.4512 COc1ccc(cc1OC(C)C)C(=O)[13CH3] 1458a_100011217381_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B15R1.4512 COc1ccc(cc1SC(C)C)C(=O)C 62a_100000185153_100000210206 [0,1,0,0,0,0|3,0,0]=4 545 B15R1.4512 COc1ccc(cc1SC(C)C)C(=O)C 62a_100000210206_100000039561 [0,1,0,0,0,0|3,0,0]=4 546 B15R1.4512 COc1ccc(cc1SC(C)C)C(C)O 62a_100000210206_100000246541 [0,1,0,0,0,0|3,0,0]=4 547 B15R1.4512 COc1ccc(cc1SC(C)C)C(C)O 62a_100000246541_100000210206 [0,1,0,0,0,0|3,0,0]=4 548 B15R1.4599 CCc1ccc(c(c1)NC(C)(C)C)OC 34a_100012035449_100000210625 [0,1,0,0,0,0|3,0,0]=4 549 B15R1.4599 CCc1ccc(c(c1)OC(C)(C)C)OC 34a_100009844796_100000210625 [0,1,0,0,0,0|3,0,0]=4 550 B15R1.4599 CCc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_100010062400 [0,1,0,0,0,0|3,0,0]=4 551 B15R1.4599 CCc1ccc(c(c1)SC(C)(C)C)OC 62a_100010062400_100000211941 [0,1,0,0,0,0|3,0,0]=4 552 B15R1.4599 CNc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_114948341033 [0,1,0,0,0,0|3,0,0]=4 553 B15R1.4599 CNc1ccc(c(c1)SC(C)(C)C)OC 62a_114948341033_100000211941 [0,1,0,0,0,0|3,0,0]=4 554 B15R1.4599 COc1ccc(c(c1)NC(C)(C)C)OC 34a_100000184736_100000210625 [0,1,0,0,0,0|2,0,0]=3 555 B15R1.4599 COc1ccc(c(c1)NC(F)(F)F)OC 34a_100000184736_200103152311 [0,1,0,0,0,0|3,0,0]=4 556 B15R1.4599 COc1ccc(c(c1)NS(=O)(=O)C)OC 40a_100000184736_100000738038 [0,1,0,0,0,0|3,0,0]=4 557 B15R1.4599 COc1ccc(c(c1)OC(C)(C)C)OC 34a_100000074795_100000210625 [0,1,0,0,0,0|2,0,0]=3 558 B15R1.4599 COc1ccc(c(c1)OC(F)(F)F)OC 34a_100000074795_200103152311 [0,1,0,0,0,0|3,0,0]=4 559 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_100011215452 [0,1,0,0,0,0|2,0,0]=3 560 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)OC 62a_100011215452_100000211941 [0,1,0,0,0,0|2,0,0]=3 561 B15R1.4599 COc1ccc(c(c1)SC(F)(F)F)OC 62a_100011215452_200103152311 [0,1,0,0,0,0|3,0,0]=4 562 B15R1.4599 COc1ccc(c(c1)SC(F)(F)F)OC 62a_200000243211_100011215452 [0,1,0,0,0,0|3,0,0]=4 563 B15R1.5636 CC=Cc1ccc(cc1CN(C)C)OC 271570a_100016259895_100000727244 [0,1,0,0,0,0|3,0,0]=4 564 B15R1.5636 CCOc1ccc(cc1CC(=O)C)OC 34a_200000075431_100000210202 [0,1,0,0,0,0|1,0,1]=3 565 B15R1.5636 CCOc1ccc(cc1CC(=O)C)OC 7a_200000075431_100000210202 [0,1,0,0,0,0|1,0,1]=3 566 B15R1.5636 CCSc1ccc(cc1CN(C)C)OC 62a_100000210202_100000727244 [0,1,0,0,0,0|2,1,0]=4 567 B15R1.5636 CCSc1ccc(cc1CN(C)C)OC 62a_100000727244_100000210202 [0,1,0,0,0,0|2,1,0]=4 568 B15R1.5636 CNCc1ccc(cc1OC(C)C)OC 207a_100102657272_100000754425 [0,1,0,0,0,0|3,0,0]=4 569 B15R1.5636 CNCc1ccc(cc1OC(C)C)OC 270004a_106832991635_100000754425 [0,1,0,0,0,0|3,0,0]=4 570 B15R1.5636 COc1ccc(c(c1)CC(=O)C)OCF 34a_200000075431_100015361967 [0,1,0,0,0,0|1,0,1]=3 571 B15R1.5636 COc1ccc(c(c1)CC(=O)C)OCF 7a_200000075431_100015361967 [0,1,0,0,0,0|1,0,1]=3 572 B15R1.5636 COc1ccc(c(c1)CN(C)C)SCF 62a_100000727244_100015361967 [0,1,0,0,0,0|2,1,0]=4 573 B15R1.5636 COc1ccc(c(c1)CN(C)C)SCF 62a_100015361967_100000727244 [0,1,0,0,0,0|2,1,0]=4 574 B15R1.9656 CC=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100016259895_200011493461 [0,1,0,0,0,0|2,0,1]=4 575 B15R1.9656 CC=Cc1ccc(c(c1)OC(C)C)OC 271570a_100016259895_200010232110 [0,1,0,0,0,0|3,0,0]=4 576 B15R1.9656 CCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000210202 [0,1,0,0,0,0|1,1,1]=4 577 B15R1.9656 CCSc1ccc(c(c1)OC(C)C)OC 62a_100000210202_200010232110 [0,1,0,0,0,0|2,1,0]=4 578 B15R1.9656 CCSc1ccc(c(c1)OC(C)C)OC 62a_200010232110_100000210202 [0,1,0,0,0,0|2,1,0]=4 579 B15R1.9656 CNCc1ccc(c(c1)CN(C)C)OC 207a_100102657272_200020604076 [0,1,0,0,0,0|3,0,0]=4 580 B15R1.9656 CNCc1ccc(c(c1)CN(C)C)OC 270004a_106832991635_200020604076 [0,1,0,0,0,0|3,0,0]=4 581 B15R1.9656 CNCc1ccc(c(c1)OC(C)C)OC 207a_100102657272_100000170515 [0,1,0,0,0,0|3,0,0]=4 582 B15R1.9656 CNCc1ccc(c(c1)OC(C)C)OC 270004a_106832991635_100000170515 [0,1,0,0,0,0|3,0,0]=4 583 B15R1.9656 CNCc1ccc(c(c1)OC(C)C)OC 34a_100000188468_100000210206 [0,1,0,0,0,0|3,0,0]=4 584 B15R1.9656 COc1ccc(cc1CC(=O)C)SCF 62a_200011493461_100015361967 [0,1,0,0,0,0|1,1,1]=4 585 B15R1.9656 COc1ccc(cc1OC(C)C)CCN 34a_100011207234_100000210206 [0,1,0,0,0,0|3,0,0]=4 586 B15R1.9656 COc1ccc(cc1OC(C)C)SCF 62a_100015361967_200010232110 [0,1,0,0,0,0|2,1,0]=4 587 B15R1.9656 COc1ccc(cc1OC(C)C)SCF 62a_200010232110_100015361967 [0,1,0,0,0,0|2,1,0]=4 588 B15R1.9656 COc1ccc(cc1SC(C)C)CCN 62a_100000210206_103549771065 [0,1,0,0,0,0|3,0,0]=4 589 B15R1.9656 COc1ccc(cc1SC(C)C)CCN 62a_103549771065_100000210206 [0,1,0,0,0,0|3,0,0]=4 590 B15R1.9656 COc1ccc(cc1SC(C)C)CCO 62a_100000210206_100011962876 [0,1,0,0,0,0|3,0,0]=4 591 B15R1.9656 COc1ccc(cc1SC(C)C)CCO 62a_100011962876_100000210206 [0,1,0,0,0,0|3,0,0]=4 592 B15R2.2880 COc1ccc2c(c1)CN(CCS2)C 2230a_100000102693_200000210301 [0,0,0,1,0,0|2,1,0]=4 593 B15R2.2880 COc1ccc2c(c1)CN(CCS2)C 269982a_100000102693_200000210301 [0,0,0,1,0,0|2,1,0]=4 594 B15R2.2880 COc1ccc2c(c1)CN(CCS2)[13CH3] 2230a_100000102693_200025704644 [0,0,0,1,0,0|2,1,0]=4 595 B15R2.2880 COc1ccc2c(c1)CN(CCS2)[13CH3] 269982a_100000102693_200025704644 [0,0,0,1,0,0|2,1,0]=4 596 B15R2.3137 COc1ccc2c(c1)C(CC2)C(=O)C 1458a_100000719983_200000210301 [0,0,0,1,0,0|2,0,1]=4 597 B15R2.3137 COc1ccc2c(c1)C(CC2)C(=O)[13CH3] 1458a_100000719983_200025704644 [0,0,0,1,0,0|2,0,1]=4 598 B15R2.5265 CCc1ccc(c(c1)NC2CC2)OC 34a_100012035449_100000211595 [0,0,0,1,0,0|3,0,0]=4 599 B15R2.5265 CCc1ccc(c(c1)OC2CC2)OC 34a_100009844796_100000211595 [0,0,0,1,0,0|3,0,0]=4 600 B15R2.5265 CCc1ccc(c(c1)SC2CC2)OC 62a_100010062400_100000211595 [0,0,0,1,0,0|3,0,0]=4 601 B15R2.5265 CNc1ccc(c(c1)SC2CC2)OC 62a_114948341033_100000211595 [0,0,0,1,0,0|3,0,0]=4 602 B15R2.5265 COc1ccc(c(c1)NC2CC2)OC 34a_100000184736_100000211595 [0,0,0,1,0,0|2,0,0]=3 603 B15R2.5265 COc1ccc(c(c1)OC2CC2)OC 34a_100000074795_100000211595 [0,0,0,1,0,0|2,0,0]=3 604 B15R2.5265 COc1ccc(c(c1)SC2CC2)OC 62a_100011215452_100000211595 [0,0,0,1,0,0|2,0,0]=3 605 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [0,0,0,0,1,0|2,0,1]=4 606 B13R1.2430 C=C(C)c1cc(ccc1OC)NC 271570a_100000694244_114948341033 [0,0,0,0,1,0|2,0,1]=4 607 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [0,0,0,0,1,0|1,0,1]=3 608 B13R1.2430 C=Cc1ccc(cc1[C@H](C)N)OC 271570a_100011290941_200015425320 [0,0,0,0,1,0|1,0,1]=3 609 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,0,0,0,1,0|2,0,1]=4 610 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,0,0,0,1,0|2,0,1]=4 611 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,0,0,0,1,0|2,0,1]=4 612 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,0,0,0,1,0|2,0,1]=4 613 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_200000210301 [0,0,0,0,1,0|2,0,1]=4 614 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_200000210301 [0,0,0,0,1,0|2,0,1]=4 615 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_200000210301 [0,0,0,0,1,0|2,0,0]=3 616 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_200000210301 [0,0,0,0,1,0|2,0,0]=3 617 B13R1.2430 CNc1ccc(cc1C(=O)N)OC 34a_100011380456_200000210301 [0,0,0,0,1,0|2,0,1]=4 618 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [0,0,0,0,1,0|1,0,1]=3 619 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [0,0,0,0,1,0|1,0,1]=3 620 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [0,0,0,0,1,0|1,0,1]=3 621 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [0,0,0,0,1,0|1,0,1]=3 622 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [0,0,0,0,1,0|1,0,1]=3 623 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [0,0,0,0,1,0|1,0,1]=3 624 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [0,0,0,0,1,0|1,0,1]=3 625 B13R1.2430 COc1ccc(c(c1)C(=O)C)SC 62a_100011360761_200000210301 [0,0,0,0,1,0|1,1,1]=4 626 B13R1.2430 COc1ccc(c(c1)C(=O)C)S[13CH3] 62a_100011360761_200025704644 [0,0,0,0,1,0|1,1,1]=4 627 B13R1.2430 COc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011380456_200025704644 [0,0,0,0,1,0|2,0,1]=4 628 B13R1.2430 COc1ccc(c(c1)C(=O)N)SC 62a_100000162014_200000210301 [0,0,0,0,1,0|1,1,1]=4 629 B13R1.2430 COc1ccc(c(c1)C(=O)N)S[13CH3] 62a_100000162014_200025704644 [0,0,0,0,1,0|1,1,1]=4 630 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [0,0,0,0,1,0|1,0,1]=3 631 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 34a_100011998526_200000210301 [0,0,0,0,1,0|1,0,0]=2 632 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 7a_100011998526_200000210301 [0,0,0,0,1,0|1,0,0]=2 633 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 34a_100011998526_200025704644 [0,0,0,0,1,0|1,0,0]=2 634 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 7a_100011998526_200025704644 [0,0,0,0,1,0|1,0,0]=2 635 B13R1.2430 COc1ccc(c(c1)C(F)F)SC 62a_100010189949_200000210301 [0,0,0,0,1,0|2,1,0]=4 636 B13R1.2430 COc1ccc(c(c1)C(F)F)SC 62a_200000210301_100010189949 [0,0,0,0,1,0|2,1,0]=4 637 B13R1.2430 COc1ccc(c(c1)C(F)F)S[13CH3] 62a_100010189949_200025704644 [0,0,0,0,1,0|2,1,0]=4 638 B13R1.2430 COc1ccc(c(c1)C(F)F)S[13CH3] 62a_200025704644_100010189949 [0,0,0,0,1,0|2,1,0]=4 639 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 2230a_100000221073_200000210301 [0,0,0,0,1,0|2,0,0]=3 640 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 269982a_100000221073_200000210301 [0,0,0,0,1,0|2,0,0]=3 641 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 34a_100000221073_200000210301 [0,0,0,0,1,0|2,0,0]=3 642 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 2230a_100000221073_200025704644 [0,0,0,0,1,0|2,0,0]=3 643 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 269982a_100000221073_200025704644 [0,0,0,0,1,0|2,0,0]=3 644 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 34a_100000221073_200025704644 [0,0,0,0,1,0|2,0,0]=3 645 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200000210301_200015425320 [0,0,0,0,1,0|0,1,0]=2 646 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200015425320_200000210301 [0,0,0,0,1,0|0,1,0]=2 647 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200015425320_200025704644 [0,0,0,0,1,0|0,1,0]=2 648 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200025704644_200015425320 [0,0,0,0,1,0|0,1,0]=2 649 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000211607_200000210301 [0,0,0,0,1,0|3,0,0]=4 650 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000716441_200000210301 [0,0,0,0,1,0|3,0,0]=4 651 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000211607_200000210301 [0,0,0,0,1,0|3,0,0]=4 652 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000716441_200000210301 [0,0,0,0,1,0|3,0,0]=4 653 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000211607_200025704644 [0,0,0,0,1,0|3,0,0]=4 654 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000211607_200025704644 [0,0,0,0,1,0|3,0,0]=4 655 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [0,0,0,0,1,0|1,0,1]=3 656 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [0,0,0,0,1,0|1,0,1]=3 657 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [0,0,0,0,1,0|1,1,1]=4 658 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [0,0,0,0,1,0|1,1,1]=4 659 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 34a_200011413973_200025704644 [0,0,0,0,1,0|2,0,1]=4 660 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 7a_200011413973_200025704644 [0,0,0,0,1,0|2,0,1]=4 661 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 2230a_100025764739_200025704644 [0,0,0,0,1,0|2,0,0]=3 662 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 34a_100025764739_200025704644 [0,0,0,0,1,0|2,0,0]=3 663 B13R1.2430 COc1ccc(cc1C(F)F)SC 62a_100010146105_200000210301 [0,0,0,0,1,0|2,1,0]=4 664 B13R1.2430 COc1ccc(cc1C(F)F)SC 62a_200000210301_100010146105 [0,0,0,0,1,0|2,1,0]=4 665 B13R1.2430 COc1ccc(cc1C(F)F)S[13CH3] 62a_100010146105_200025704644 [0,0,0,0,1,0|2,1,0]=4 666 B13R1.2430 COc1ccc(cc1C(F)F)S[13CH3] 62a_200025704644_100010146105 [0,0,0,0,1,0|2,1,0]=4 667 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000716441_200025704644 [0,0,0,0,1,0|3,0,0]=4 668 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000716441_200025704644 [0,0,0,0,1,0|3,0,0]=4 669 B15R1.1882 C#Cc1ccc(cc1COC(C)C)OC 34a_200010997956_100000210206 [0,0,0,0,0,1|2,0,1]=4 670 B15R1.1882 C#Cc1ccc(cc1COC(C)C)OC 7a_200010997956_100000210206 [0,0,0,0,0,1|2,0,1]=4 671 B15R1.1882 C=C(C)CNc1cc(ccc1OC)CC 2230a_100012035449_100000748629 [0,0,0,0,0,1|2,0,1]=4 672 B15R1.1882 C=C(C)CNc1cc(ccc1OC)CC 34a_100012035449_100000748629 [0,0,0,0,0,1|2,0,1]=4 673 B15R1.1882 C=C(C)CNc1cc(ccc1OC)OC 2230a_100000184736_100000748629 [0,0,0,0,0,1|1,0,1]=3 674 B15R1.1882 C=C(C)CNc1cc(ccc1OC)OC 34a_100000184736_100000748629 [0,0,0,0,0,1|1,0,1]=3 675 B15R1.1882 C=C(C)COc1cc(ccc1OC)CC 34a_100009844796_100000748629 [0,0,0,0,0,1|2,0,1]=4 676 B15R1.1882 C=C(C)COc1cc(ccc1OC)CC 7a_100009844796_100000748629 [0,0,0,0,0,1|2,0,1]=4 677 B15R1.1882 C=C(C)COc1cc(ccc1OC)OC 34a_100000074795_100000748629 [0,0,0,0,0,1|1,0,1]=3 678 B15R1.1882 C=C(C)CSc1cc(ccc1OC)CC 62a_100000748629_100010062400 [0,0,0,0,0,1|2,0,1]=4 679 B15R1.1882 C=C(C)CSc1cc(ccc1OC)CC 62a_100010062400_100000211660 [0,0,0,0,0,1|2,0,1]=4 680 B15R1.1882 C=C(C)CSc1cc(ccc1OC)NC 62a_100000748629_114948341033 [0,0,0,0,0,1|2,0,1]=4 681 B15R1.1882 C=C(C)CSc1cc(ccc1OC)NC 62a_114948341033_100000211660 [0,0,0,0,0,1|2,0,1]=4 682 B15R1.1882 C=C(C)CSc1cc(ccc1OC)OC 62a_100000748629_100011215452 [0,0,0,0,0,1|1,0,1]=3 683 B15R1.1882 C=C(C)CSc1cc(ccc1OC)OC 62a_100011215452_100000211660 [0,0,0,0,0,1|1,0,1]=3 684 B15R1.1882 C=C(F)CNc1cc(ccc1OC)OC 2230a_100000184736_100009893438 [0,0,0,0,0,1|1,0,2]=4 685 B15R1.1882 C=C(F)CNc1cc(ccc1OC)OC 34a_100000184736_100009893438 [0,0,0,0,0,1|1,0,2]=4 686 B15R1.1882 C=C(F)COc1cc(ccc1OC)OC 34a_100000074795_100009893438 [0,0,0,0,0,1|1,0,2]=4 687 B15R1.1882 C=C(F)CSc1cc(ccc1OC)OC 62a_100000042424_100011215452 [0,0,0,0,0,1|1,0,2]=4 688 B15R1.1882 C=C(F)CSc1cc(ccc1OC)OC 62a_100011215452_100000042424 [0,0,0,0,0,1|1,0,2]=4 689 B15R1.1882 CCc1ccc(c(c1)C=CC(C)C)OC 271570a_100016257149_100010062400 [0,0,0,0,0,1|2,0,1]=4 690 B15R1.1882 CCc1ccc(c(c1)C=CC(C)O)OC 271570a_200011019289_100010062400 [0,0,0,0,0,1|2,0,1]=4 691 B15R1.1882 CCc1ccc(c(c1)CNC(C)C)OC 207a_100138425928_200000117280 [0,0,0,0,0,1|2,0,0]=3 692 B15R1.1882 CCc1ccc(c(c1)NCC(=O)N)OC 2230a_100012035449_100000747473 [0,0,0,0,0,1|2,0,1]=4 693 B15R1.1882 CCc1ccc(c(c1)NCC(=O)N)OC 34a_100012035449_100000187820 [0,0,0,0,0,1|2,0,1]=4 694 B15R1.1882 CCc1ccc(c(c1)NCC(C)C)OC 2230a_100012035449_100000210760 [0,0,0,0,0,1|2,0,0]=3 695 B15R1.1882 CCc1ccc(c(c1)NCC(C)C)OC 34a_100012035449_100000210624 [0,0,0,0,0,1|2,0,0]=3 696 B15R1.1882 CCc1ccc(c(c1)NCC(C)O)OC 2230a_100012035449_100011218427 [0,0,0,0,0,1|2,0,0]=3 697 B15R1.1882 CCc1ccc(c(c1)NCC(C)O)OC 34a_100012035449_100011218427 [0,0,0,0,0,1|2,0,0]=3 698 B15R1.1882 CCc1ccc(c(c1)NCC(F)F)OC 2230a_100012035449_100011934356 [0,0,0,0,0,1|3,0,0]=4 699 B15R1.1882 CCc1ccc(c(c1)NCC(F)F)OC 34a_100012035449_100011934356 [0,0,0,0,0,1|3,0,0]=4 700 B15R1.1882 CCc1ccc(c(c1)NC[C@@H](C)O)OC 2230a_100012035449_100009817552 [0,0,0,0,0,1|2,0,0]=3 701 B15R1.1882 CCc1ccc(c(c1)NC[C@@H](C)O)OC 34a_100012035449_100009817552 [0,0,0,0,0,1|2,0,0]=3 702 B15R1.1882 CCc1ccc(c(c1)OCC(=O)N)OC 34a_100009844796_100000187820 [0,0,0,0,0,1|2,0,1]=4 703 B15R1.1882 CCc1ccc(c(c1)OCC(=O)N)OC 7a_100009844796_100000187820 [0,0,0,0,0,1|2,0,1]=4 704 B15R1.1882 CCc1ccc(c(c1)OCC(C)C)OC 34a_100009844796_100000210624 [0,0,0,0,0,1|2,0,0]=3 705 B15R1.1882 CCc1ccc(c(c1)OCC(C)C)OC 7a_100009844796_100000210760 [0,0,0,0,0,1|2,0,0]=3 706 B15R1.1882 CCc1ccc(c(c1)OCC(C)O)OC 34a_100009844796_100011218427 [0,0,0,0,0,1|2,0,0]=3 707 B15R1.1882 CCc1ccc(c(c1)OCC(C)O)OC 7a_100009844796_100011218427 [0,0,0,0,0,1|2,0,0]=3 708 B15R1.1882 CCc1ccc(c(c1)OCC(F)F)OC 34a_100009844796_100011934356 [0,0,0,0,0,1|3,0,0]=4 709 B15R1.1882 CCc1ccc(c(c1)OCC(F)F)OC 7a_100009844796_100011934356 [0,0,0,0,0,1|3,0,0]=4 710 B15R1.1882 CCc1ccc(c(c1)OC[C@@H](C)O)OC 34a_100009844796_100009817552 [0,0,0,0,0,1|2,0,0]=3 711 B15R1.1882 CCc1ccc(c(c1)OC[C@@H](C)O)OC 7a_100009844796_100009817552 [0,0,0,0,0,1|2,0,0]=3 712 B15R1.1882 CCc1ccc(c(c1)SCC(=O)N)OC 62a_100000747473_100010062400 [0,0,0,0,0,1|2,0,1]=4 713 B15R1.1882 CCc1ccc(c(c1)SCC(=O)N)OC 62a_100010062400_100000747473 [0,0,0,0,0,1|2,0,1]=4 714 B15R1.1882 CCc1ccc(c(c1)SCC(C)C)OC 62a_100000210624_100010062400 [0,0,0,0,0,1|2,0,0]=3 715 B15R1.1882 CCc1ccc(c(c1)SCC(C)C)OC 62a_100010062400_100000210760 [0,0,0,0,0,1|2,0,0]=3 716 B15R1.1882 CCc1ccc(c(c1)SCC(C)O)OC 62a_100010062400_100011218427 [0,0,0,0,0,1|2,0,0]=3 717 B15R1.1882 CCc1ccc(c(c1)SCC(C)O)OC 62a_100011218427_100010062400 [0,0,0,0,0,1|2,0,0]=3 718 B15R1.1882 CCc1ccc(c(c1)SCC(F)F)OC 62a_100010062400_100011934356 [0,0,0,0,0,1|3,0,0]=4 719 B15R1.1882 CCc1ccc(c(c1)SCC(F)F)OC 62a_100011934356_100010062400 [0,0,0,0,0,1|3,0,0]=4 720 B15R1.1882 CCc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100009817552_100010062400 [0,0,0,0,0,1|2,0,0]=3 721 B15R1.1882 CCc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100010062400_100009817552 [0,0,0,0,0,1|2,0,0]=3 722 B15R1.1882 CNc1ccc(c(c1)C=CC(C)C)OC 271570a_100016257149_114948341033 [0,0,0,0,0,1|2,0,1]=4 723 B15R1.1882 CNc1ccc(c(c1)C=CC(C)O)OC 271570a_200011019289_114948341033 [0,0,0,0,0,1|2,0,1]=4 724 B15R1.1882 CNc1ccc(c(c1)SCC(=O)N)OC 62a_100000747473_114948341033 [0,0,0,0,0,1|2,0,1]=4 725 B15R1.1882 CNc1ccc(c(c1)SCC(=O)N)OC 62a_114948341033_100000747473 [0,0,0,0,0,1|2,0,1]=4 726 B15R1.1882 CNc1ccc(c(c1)SCC(C)C)OC 62a_100000210624_114948341033 [0,0,0,0,0,1|2,0,0]=3 727 B15R1.1882 CNc1ccc(c(c1)SCC(C)C)OC 62a_114948341033_100000210760 [0,0,0,0,0,1|2,0,0]=3 728 B15R1.1882 CNc1ccc(c(c1)SCC(C)O)OC 62a_100011218427_114948341033 [0,0,0,0,0,1|2,0,0]=3 729 B15R1.1882 CNc1ccc(c(c1)SCC(C)O)OC 62a_114948341033_100011218427 [0,0,0,0,0,1|2,0,0]=3 730 B15R1.1882 CNc1ccc(c(c1)SCC(F)F)OC 62a_100011934356_114948341033 [0,0,0,0,0,1|3,0,0]=4 731 B15R1.1882 CNc1ccc(c(c1)SCC(F)F)OC 62a_114948341033_100011934356 [0,0,0,0,0,1|3,0,0]=4 732 B15R1.1882 CNc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100009817552_114948341033 [0,0,0,0,0,1|2,0,0]=3 733 B15R1.1882 CNc1ccc(c(c1)SC[C@@H](C)O)OC 62a_114948341033_100009817552 [0,0,0,0,0,1|2,0,0]=3 734 B15R1.1882 COc1cc(c(nn1)OC)OCC(C)C 34a_200010760773_100000210624 [0,0,0,0,0,1|3,0,0]=4 735 B15R1.1882 COc1cc(c(nn1)OC)OCC(C)O 34a_200010760773_100011218427 [0,0,0,0,0,1|3,0,0]=4 736 B15R1.1882 COc1cc(c(nn1)OC)OC[C@@H](C)O 34a_200010760773_100009817552 [0,0,0,0,0,1|3,0,0]=4 737 B15R1.1882 COc1ccc(c(c1)C=CC(=O)C)OC 1458a_100000185123_200000210301 [0,0,0,0,0,1|1,0,2]=4 738 B15R1.1882 COc1ccc(c(c1)C=CC(=O)[13CH3])OC 1458a_100000185123_200025704644 [0,0,0,0,0,1|1,0,2]=4 739 B15R1.1882 COc1ccc(c(c1)C=CC(C)C)OC 271570a_100016257149_100011215452 [0,0,0,0,0,1|1,0,1]=3 740 B15R1.1882 COc1ccc(c(c1)C=CC(C)O)OC 271570a_200011019289_100011215452 [0,0,0,0,0,1|1,0,1]=3 741 B15R1.1882 COc1ccc(c(c1)CCC(=O)C)OC 1458a_100000736209_200000210301 [0,0,0,0,0,1|1,0,1]=3 742 B15R1.1882 COc1ccc(c(c1)CCC(=O)[13CH3])OC 1458a_100000736209_200025704644 [0,0,0,0,0,1|1,0,1]=3 743 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 11a_100000185951_100015343762 [0,0,0,0,0,1|1,0,1]=3 744 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 1626a_100000185951_100015343762 [0,0,0,0,0,1|1,0,1]=3 745 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 240690a_100000185951_100015343762 [0,0,0,0,0,1|1,0,1]=3 746 B15R1.1882 COc1ccc(c(c1)CNC(=O)C)OC 527a_100000185951_100103153847 [0,0,0,0,0,1|1,0,1]=3 747 B15R1.1882 COc1ccc(c(c1)CNC(C)C)OC 207a_100138425928_100000170336 [0,0,0,0,0,1|1,0,0]=2 748 B15R1.1882 COc1ccc(c(c1)CNC(C)C)OC 34a_100000185951_100000210206 [0,0,0,0,0,1|1,0,0]=2 749 B15R1.1882 COc1ccc(c(c1)CNC(C)C)OC 34a_100138425928_100011233847 [0,0,0,0,0,1|1,0,0]=2 750 B15R1.1882 COc1ccc(c(c1)COC(C)C)OC 34a_100000212225_100011233847 [0,0,0,0,0,1|1,0,0]=2 751 B15R1.1882 COc1ccc(c(c1)COC(C)C)OC 34a_100000212306_100000210206 [0,0,0,0,0,1|1,0,0]=2 752 B15R1.1882 COc1ccc(c(c1)CSC(C)C)OC 62a_100000205131_100000210206 [0,0,0,0,0,1|1,0,0]=2 753 B15R1.1882 COc1ccc(c(c1)CSC(C)C)OC 62a_100000210206_100011233847 [0,0,0,0,0,1|1,0,0]=2 754 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)OC 2230a_100000184736_100000747473 [0,0,0,0,0,1|1,0,1]=3 755 B15R1.1882 COc1ccc(c(c1)NCC(=O)N)OC 34a_100000184736_100000187820 [0,0,0,0,0,1|1,0,1]=3 756 B15R1.1882 COc1ccc(c(c1)NCC(=O)[O-])OC 34a_100000184736_100020667443 [0,0,0,0,0,1|2,0,1]=4 757 B15R1.1882 COc1ccc(c(c1)NCC(C)C)C#N 2230a_100000687564_100000210760 [0,0,0,0,0,1|3,0,0]=4 758 B15R1.1882 COc1ccc(c(c1)NCC(C)C)C#N 34a_100000687564_100000210624 [0,0,0,0,0,1|3,0,0]=4 759 B15R1.1882 COc1ccc(c(c1)NCC(C)C)C#N 7a_100000687564_100000210760 [0,0,0,0,0,1|3,0,0]=4 760 B15R1.1882 COc1ccc(c(c1)NCC(C)C)CO 34a_100011998734_100000210624 [0,0,0,0,0,1|3,0,0]=4 761 B15R1.1882 COc1ccc(c(c1)NCC(C)C)OC 2230a_100000184736_100000210760 [0,0,0,0,0,1|1,0,0]=2 762 B15R1.1882 COc1ccc(c(c1)NCC(C)C)OC 34a_100000184736_100000210624 [0,0,0,0,0,1|1,0,0]=2 763 B15R1.1882 COc1ccc(c(c1)NCC(C)O)C#N 2230a_100000687564_100011218427 [0,0,0,0,0,1|3,0,0]=4 764 B15R1.1882 COc1ccc(c(c1)NCC(C)O)C#N 34a_100000687564_100011218427 [0,0,0,0,0,1|3,0,0]=4 765 B15R1.1882 COc1ccc(c(c1)NCC(C)O)C#N 7a_100000687564_100011218427 [0,0,0,0,0,1|3,0,0]=4 766 B15R1.1882 COc1ccc(c(c1)NCC(C)O)CO 34a_100011998734_100011218427 [0,0,0,0,0,1|3,0,0]=4 767 B15R1.1882 COc1ccc(c(c1)NCC(C)O)OC 2230a_100000184736_100011218427 [0,0,0,0,0,1|1,0,0]=2 768 B15R1.1882 COc1ccc(c(c1)NCC(C)O)OC 34a_100000184736_100011218427 [0,0,0,0,0,1|1,0,0]=2 769 B15R1.1882 COc1ccc(c(c1)NCC(F)F)OC 2230a_100000184736_100011934356 [0,0,0,0,0,1|2,0,0]=3 770 B15R1.1882 COc1ccc(c(c1)NCC(F)F)OC 34a_100000184736_100011934356 [0,0,0,0,0,1|2,0,0]=3 771 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)C#N 2230a_100000687564_100009817552 [0,0,0,0,0,1|3,0,0]=4 772 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)C#N 34a_100000687564_100009817552 [0,0,0,0,0,1|3,0,0]=4 773 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)C#N 7a_100000687564_100009817552 [0,0,0,0,0,1|3,0,0]=4 774 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)CO 34a_100011998734_100009817552 [0,0,0,0,0,1|3,0,0]=4 775 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)OC 2230a_100000184736_100009817552 [0,0,0,0,0,1|1,0,0]=2 776 B15R1.1882 COc1ccc(c(c1)NC[C@@H](C)O)OC 34a_100000184736_100009817552 [0,0,0,0,0,1|1,0,0]=2 777 B15R1.1882 COc1ccc(c(c1)NC[N+](=O)[O-])OC 34a_100000184736_100000761209 [0,0,0,0,0,1|3,0,0]=4 778 B15R1.1882 COc1ccc(c(c1)OCC(=O)N)OC 34a_100000074795_100000187820 [0,0,0,0,0,1|1,0,1]=3 779 B15R1.1882 COc1ccc(c(c1)OCC(=O)[O-])OC 34a_100000074795_100020667443 [0,0,0,0,0,1|2,0,1]=4 780 B15R1.1882 COc1ccc(c(c1)OCC(C)C)C#N 34a_100011999188_100000210624 [0,0,0,0,0,1|3,0,0]=4 781 B15R1.1882 COc1ccc(c(c1)OCC(C)C)C#N 7a_100011999188_100000210760 [0,0,0,0,0,1|3,0,0]=4 782 B15R1.1882 COc1ccc(c(c1)OCC(C)C)N=O 34a_200010658452_100000210624 [0,0,0,0,0,1|3,0,0]=4 783 B15R1.1882 COc1ccc(c(c1)OCC(C)C)N=O 7a_200010658452_100000210760 [0,0,0,0,0,1|3,0,0]=4 784 B15R1.1882 COc1ccc(c(c1)OCC(C)C)OC 34a_100000074795_100000210624 [0,0,0,0,0,1|1,0,0]=2 785 B15R1.1882 COc1ccc(c(c1)OCC(C)O)C#N 34a_100011999188_100011218427 [0,0,0,0,0,1|3,0,0]=4 786 B15R1.1882 COc1ccc(c(c1)OCC(C)O)C#N 7a_100011999188_100011218427 [0,0,0,0,0,1|3,0,0]=4 787 B15R1.1882 COc1ccc(c(c1)OCC(C)O)N=O 34a_200010658452_100011218427 [0,0,0,0,0,1|3,0,0]=4 788 B15R1.1882 COc1ccc(c(c1)OCC(C)O)N=O 7a_200010658452_100011218427 [0,0,0,0,0,1|3,0,0]=4 789 B15R1.1882 COc1ccc(c(c1)OCC(C)O)OC 34a_100000074795_100011218427 [0,0,0,0,0,1|1,0,0]=2 790 B15R1.1882 COc1ccc(c(c1)OCC(F)F)OC 34a_100000074795_100011934356 [0,0,0,0,0,1|2,0,0]=3 791 B15R1.1882 COc1ccc(c(c1)OC[C@@H](C)O)C#N 34a_100011999188_100009817552 [0,0,0,0,0,1|3,0,0]=4 792 B15R1.1882 COc1ccc(c(c1)OC[C@@H](C)O)C#N 7a_100011999188_100009817552 [0,0,0,0,0,1|3,0,0]=4 793 B15R1.1882 COc1ccc(c(c1)OC[C@@H](C)O)N=O 34a_200010658452_100009817552 [0,0,0,0,0,1|3,0,0]=4 794 B15R1.1882 COc1ccc(c(c1)OC[C@@H](C)O)N=O 7a_200010658452_100009817552 [0,0,0,0,0,1|3,0,0]=4 795 B15R1.1882 COc1ccc(c(c1)OC[C@@H](C)O)OC 34a_100000074795_100009817552 [0,0,0,0,0,1|1,0,0]=2 796 B15R1.1882 COc1ccc(c(c1)OC[N+](=O)[O-])OC 34a_100000074795_100000761209 [0,0,0,0,0,1|3,0,0]=4 797 B15R1.1882 COc1ccc(c(c1)SCC(=O)N)OC 62a_100000747473_100011215452 [0,0,0,0,0,1|1,0,1]=3 798 B15R1.1882 COc1ccc(c(c1)SCC(=O)N)OC 62a_100011215452_100000747473 [0,0,0,0,0,1|1,0,1]=3 799 B15R1.1882 COc1ccc(c(c1)SCC(=O)[O-])OC 62a_100011215452_100020667443 [0,0,0,0,0,1|2,0,1]=4 800 B15R1.1882 COc1ccc(c(c1)SCC(=O)[O-])OC 62a_100020667443_100011215452 [0,0,0,0,0,1|2,0,1]=4 801 B15R1.1882 COc1ccc(c(c1)SCC(C)C)C#N 62a_100000210624_100012355471 [0,0,0,0,0,1|3,0,0]=4 802 B15R1.1882 COc1ccc(c(c1)SCC(C)C)C=O 62a_100000210624_100000723261 [0,0,0,0,0,1|3,0,0]=4 803 B15R1.1882 COc1ccc(c(c1)SCC(C)C)C=O 62a_100000723261_100000210760 [0,0,0,0,0,1|3,0,0]=4 804 B15R1.1882 COc1ccc(c(c1)SCC(C)C)CO 62a_100000210624_100011982768 [0,0,0,0,0,1|3,0,0]=4 805 B15R1.1882 COc1ccc(c(c1)SCC(C)C)CO 62a_100011982768_100000210760 [0,0,0,0,0,1|3,0,0]=4 806 B15R1.1882 COc1ccc(c(c1)SCC(C)C)OC 62a_100000210624_100011215452 [0,0,0,0,0,1|1,0,0]=2 807 B15R1.1882 COc1ccc(c(c1)SCC(C)C)OC 62a_100011215452_100000210760 [0,0,0,0,0,1|1,0,0]=2 808 B15R1.1882 COc1ccc(c(c1)SCC(C)O)C#N 62a_100011218427_100012355471 [0,0,0,0,0,1|3,0,0]=4 809 B15R1.1882 COc1ccc(c(c1)SCC(C)O)C=O 62a_100000723261_100011218427 [0,0,0,0,0,1|3,0,0]=4 810 B15R1.1882 COc1ccc(c(c1)SCC(C)O)C=O 62a_100011218427_100000723261 [0,0,0,0,0,1|3,0,0]=4 811 B15R1.1882 COc1ccc(c(c1)SCC(C)O)CO 62a_100011218427_100011982768 [0,0,0,0,0,1|3,0,0]=4 812 B15R1.1882 COc1ccc(c(c1)SCC(C)O)CO 62a_100011982768_100011218427 [0,0,0,0,0,1|3,0,0]=4 813 B15R1.1882 COc1ccc(c(c1)SCC(C)O)OC 62a_100011215452_100011218427 [0,0,0,0,0,1|1,0,0]=2 814 B15R1.1882 COc1ccc(c(c1)SCC(C)O)OC 62a_100011218427_100011215452 [0,0,0,0,0,1|1,0,0]=2 815 B15R1.1882 COc1ccc(c(c1)SCC(F)F)OC 62a_100011215452_100011934356 [0,0,0,0,0,1|2,0,0]=3 816 B15R1.1882 COc1ccc(c(c1)SCC(F)F)OC 62a_100011934356_100011215452 [0,0,0,0,0,1|2,0,0]=3 817 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)C#N 62a_100009817552_100012355471 [0,0,0,0,0,1|3,0,0]=4 818 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)C=O 62a_100000723261_100009817552 [0,0,0,0,0,1|3,0,0]=4 819 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)C=O 62a_100009817552_100000723261 [0,0,0,0,0,1|3,0,0]=4 820 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)CO 62a_100009817552_100011982768 [0,0,0,0,0,1|3,0,0]=4 821 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)CO 62a_100011982768_100009817552 [0,0,0,0,0,1|3,0,0]=4 822 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100009817552_100011215452 [0,0,0,0,0,1|1,0,0]=2 823 B15R1.1882 COc1ccc(c(c1)SC[C@@H](C)O)OC 62a_100011215452_100009817552 [0,0,0,0,0,1|1,0,0]=2 824 B15R1.1882 COc1ccc(c(c1)SC[N+](=O)[O-])OC 62a_100011215452_100000761209 [0,0,0,0,0,1|3,0,0]=4 825 B15R1.1882 COc1ccc(cc1CNC(C)C)C#N 207a_100138425928_100012017408 [0,0,0,0,0,1|3,0,0]=4 826 B15R1.1882 COc1ccc(cc1CNC(C)C)C=O 2230a_100138425928_100000028394 [0,0,0,0,0,1|3,0,0]=4 827 B15R1.1882 COc1ccc(cc1CNC(C)C)C=O 34a_100138425928_100000028394 [0,0,0,0,0,1|3,0,0]=4 828 B15R1.1882 COc1ccc(cc1COC(C)C)C=O 34a_100000212225_100000028394 [0,0,0,0,0,1|3,0,0]=4 829 B15R1.1882 COc1ccc(cc1CSC(C)C)C=O 62a_100000028394_100000210206 [0,0,0,0,0,1|3,0,0]=4 830 B15R1.1882 COc1ccc(cc1CSC(C)C)C=O 62a_100000210206_100000028394 [0,0,0,0,0,1|3,0,0]=4 831 B15R1.1882 COc1ccc(cc1NCC(C)C)C#N 34a_100000747721_100000210624 [0,0,0,0,0,1|3,0,0]=4 832 B15R1.1882 COc1ccc(cc1NCC(C)C)C#N 7a_100000747721_100000210760 [0,0,0,0,0,1|3,0,0]=4 833 B15R1.1882 COc1ccc(cc1NCC(C)C)CO 2230a_100011269841_100000210760 [0,0,0,0,0,1|3,0,0]=4 834 B15R1.1882 COc1ccc(cc1NCC(C)C)CO 34a_100011269841_100000210624 [0,0,0,0,0,1|3,0,0]=4 835 B15R1.1882 COc1ccc(cc1NCC(C)O)C#N 34a_100000747721_100011218427 [0,0,0,0,0,1|3,0,0]=4 836 B15R1.1882 COc1ccc(cc1NCC(C)O)C#N 7a_100000747721_100011218427 [0,0,0,0,0,1|3,0,0]=4 837 B15R1.1882 COc1ccc(cc1NCC(C)O)CO 2230a_100011269841_100011218427 [0,0,0,0,0,1|3,0,0]=4 838 B15R1.1882 COc1ccc(cc1NCC(C)O)CO 34a_100011269841_100011218427 [0,0,0,0,0,1|3,0,0]=4 839 B15R1.1882 COc1ccc(cc1NC[C@@H](C)O)C#N 34a_100000747721_100009817552 [0,0,0,0,0,1|3,0,0]=4 840 B15R1.1882 COc1ccc(cc1NC[C@@H](C)O)C#N 7a_100000747721_100009817552 [0,0,0,0,0,1|3,0,0]=4 841 B15R1.1882 COc1ccc(cc1NC[C@@H](C)O)CO 2230a_100011269841_100009817552 [0,0,0,0,0,1|3,0,0]=4 842 B15R1.1882 COc1ccc(cc1NC[C@@H](C)O)CO 34a_100011269841_100009817552 [0,0,0,0,0,1|3,0,0]=4 843 B15R1.1882 COc1ccc(cc1OCC(C)C)C#N 34a_100000188611_100000210624 [0,0,0,0,0,1|3,0,0]=4 844 B15R1.1882 COc1ccc(cc1OCC(C)C)C#N 7a_100000188611_100000210760 [0,0,0,0,0,1|3,0,0]=4 845 B15R1.1882 COc1ccc(cc1OCC(C)C)CN 34a_100000740000_100000210624 [0,0,0,0,0,1|3,0,0]=4 846 B15R1.1882 COc1ccc(cc1OCC(C)C)CO 34a_100011215239_100000210624 [0,0,0,0,0,1|3,0,0]=4 847 B15R1.1882 COc1ccc(cc1OCC(C)O)C#N 34a_100000188611_100011218427 [0,0,0,0,0,1|3,0,0]=4 848 B15R1.1882 COc1ccc(cc1OCC(C)O)C#N 7a_100000188611_100011218427 [0,0,0,0,0,1|3,0,0]=4 849 B15R1.1882 COc1ccc(cc1OCC(C)O)CN 34a_100000740000_100011218427 [0,0,0,0,0,1|3,0,0]=4 850 B15R1.1882 COc1ccc(cc1OCC(C)O)CO 34a_100011215239_100011218427 [0,0,0,0,0,1|3,0,0]=4 851 B15R1.1882 COc1ccc(cc1OC[C@@H](C)O)C#N 34a_100000188611_100009817552 [0,0,0,0,0,1|3,0,0]=4 852 B15R1.1882 COc1ccc(cc1OC[C@@H](C)O)C#N 7a_100000188611_100009817552 [0,0,0,0,0,1|3,0,0]=4 853 B15R1.1882 COc1ccc(cc1OC[C@@H](C)O)CN 34a_100000740000_100009817552 [0,0,0,0,0,1|3,0,0]=4 854 B15R1.1882 COc1ccc(cc1OC[C@@H](C)O)CO 34a_100011215239_100009817552 [0,0,0,0,0,1|3,0,0]=4 855 B15R1.1882 COc1ccc(cc1SCC(C)C)C#N 62a_100000210624_100000188253 [0,0,0,0,0,1|3,0,0]=4 856 B15R1.1882 COc1ccc(cc1SCC(C)C)C=O 62a_100000173361_100000210760 [0,0,0,0,0,1|3,0,0]=4 857 B15R1.1882 COc1ccc(cc1SCC(C)C)C=O 62a_100000210624_100000173361 [0,0,0,0,0,1|3,0,0]=4 858 B15R1.1882 COc1ccc(cc1SCC(C)C)CN 62a_100000210624_100159240714 [0,0,0,0,0,1|3,0,0]=4 859 B15R1.1882 COc1ccc(cc1SCC(C)C)CN 62a_100159240714_100000210760 [0,0,0,0,0,1|3,0,0]=4 860 B15R1.1882 COc1ccc(cc1SCC(C)C)CO 62a_100000210624_100000246451 [0,0,0,0,0,1|3,0,0]=4 861 B15R1.1882 COc1ccc(cc1SCC(C)C)CO 62a_100000246451_100000210760 [0,0,0,0,0,1|3,0,0]=4 862 B15R1.1882 COc1ccc(cc1SCC(C)O)C#N 62a_100011218427_100000188253 [0,0,0,0,0,1|3,0,0]=4 863 B15R1.1882 COc1ccc(cc1SCC(C)O)C=O 62a_100000173361_100011218427 [0,0,0,0,0,1|3,0,0]=4 864 B15R1.1882 COc1ccc(cc1SCC(C)O)C=O 62a_100011218427_100000173361 [0,0,0,0,0,1|3,0,0]=4 865 B15R1.1882 COc1ccc(cc1SCC(C)O)CN 62a_100011218427_100159240714 [0,0,0,0,0,1|3,0,0]=4 866 B15R1.1882 COc1ccc(cc1SCC(C)O)CN 62a_100159240714_100011218427 [0,0,0,0,0,1|3,0,0]=4 867 B15R1.1882 COc1ccc(cc1SCC(C)O)CO 62a_100000246451_100011218427 [0,0,0,0,0,1|3,0,0]=4 868 B15R1.1882 COc1ccc(cc1SCC(C)O)CO 62a_100011218427_100000246451 [0,0,0,0,0,1|3,0,0]=4 869 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)C#N 62a_100009817552_100000188253 [0,0,0,0,0,1|3,0,0]=4 870 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)C=O 62a_100000173361_100009817552 [0,0,0,0,0,1|3,0,0]=4 871 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)C=O 62a_100009817552_100000173361 [0,0,0,0,0,1|3,0,0]=4 872 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)CN 62a_100009817552_100159240714 [0,0,0,0,0,1|3,0,0]=4 873 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)CN 62a_100159240714_100009817552 [0,0,0,0,0,1|3,0,0]=4 874 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)CO 62a_100000246451_100009817552 [0,0,0,0,0,1|3,0,0]=4 875 B15R1.1882 COc1ccc(cc1SC[C@@H](C)O)CO 62a_100009817552_100000246451 [0,0,0,0,0,1|3,0,0]=4 876 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [2,0,0,0,0,0|1,0,1]=4 877 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [2,0,0,0,0,0|1,0,1]=4 878 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [2,0,0,0,0,0|1,0,1]=4 879 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [2,0,0,0,0,0|1,0,1]=4 880 B12R1.127 CC(C)Sc1cc(ccc1O)O 62a_100000210206_100009813629 [2,0,0,0,0,0|2,0,0]=4 881 B12R1.127 CN(C)Cc1cc(ccc1O)O 271570a_203496583355_100011934597 [2,0,0,0,0,0|2,0,0]=4 882 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [2,0,0,0,0,0|1,0,1]=4 883 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 2230a_100102631434_100000184699 [2,0,0,0,0,0|2,0,0]=4 884 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 269982a_100102631434_100000184699 [2,0,0,0,0,0|2,0,0]=4 885 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100000211343 [2,0,0,0,0,0|2,0,0]=4 886 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 2230a_100000185781_100000210206 [2,0,0,0,0,0|2,0,0]=4 887 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 34a_100000185781_100000210206 [2,0,0,0,0,0|2,0,0]=4 888 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 7a_100000185781_100000210206 [2,0,0,0,0,0|2,0,0]=4 889 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [2,0,0,0,0,0|2,0,0]=4 890 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [2,0,0,0,0,0|2,0,0]=4 891 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [2,0,0,0,0,0|2,0,0]=4 892 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210206_100000210833 [2,0,0,0,0,0|2,0,0]=4 893 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210833_100000210206 [2,0,0,0,0,0|2,0,0]=4 894 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [2,0,0,0,0,0|2,0,0]=4 895 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [2,0,0,0,0,0|2,0,0]=4 896 B12R1.127 Cc1ccc(cc1NC(C)C)O 271570a_203496583355_200000714908 [2,0,0,0,0,0|2,0,0]=4 897 B12R1.127 Cc1ccc(cc1NC(C)C)O 34a_100011216113_100000210206 [2,0,0,0,0,0|2,0,0]=4 898 B12R1.127 Cc1ccc(cc1OC(C)C)O 271570a_203496583355_200012359587 [2,0,0,0,0,0|2,0,0]=4 899 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100000210206_100011380479 [2,0,0,0,0,0|2,0,0]=4 900 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100011380479_100000210206 [2,0,0,0,0,0|2,0,0]=4 901 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [2,0,0,0,0,0|1,0,1]=4 902 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [2,0,0,0,0,0|0,0,2]=4 903 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [2,0,0,0,0,0|0,0,2]=4 904 B12R1.270 CCNc1cc(ccc1Br)OC 34a_100000748603_100000210202 [2,0,0,0,0,0|2,0,0]=4 905 B12R1.270 CCNc1cc(ccc1C)CC 2230a_200012022522_100000210202 [2,0,0,0,0,0|2,0,0]=4 906 B12R1.270 CCNc1cc(ccc1C)CC 34a_200012022522_100000210202 [2,0,0,0,0,0|2,0,0]=4 907 B12R1.270 CCNc1cc(ccc1C)CC 7a_200012022522_100000210202 [2,0,0,0,0,0|2,0,0]=4 908 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [2,0,0,0,0,0|1,0,0]=3 909 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [2,0,0,0,0,0|1,0,0]=3 910 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [2,0,0,0,0,0|1,0,0]=3 911 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [2,0,0,0,0,0|1,0,0]=3 912 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [2,0,0,0,0,0|1,0,0]=3 913 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [2,0,0,0,0,0|1,0,0]=3 914 B12R1.270 CCNc1cc(ccc1Cl)OC 34a_100000745576_100000210202 [2,0,0,0,0,0|2,0,0]=4 915 B12R1.270 CCNc1cc(ccc1F)OC 34a_100000764331_100000210202 [2,0,0,0,0,0|2,0,0]=4 916 B12R1.270 CCNc1cc(ccc1I)OC 34a_100000748021_100000210202 [2,0,0,0,0,0|2,0,0]=4 917 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [2,0,0,0,0,0|2,0,0]=4 918 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [2,0,0,0,0,0|1,0,0]=3 919 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [2,0,0,0,0,0|2,0,0]=4 920 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [2,0,0,0,0,0|2,0,0]=4 921 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [2,0,0,0,0,0|1,0,0]=3 922 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [2,0,0,0,0,0|1,0,0]=3 923 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [2,0,0,0,0,0|1,1,0]=4 924 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [2,0,0,0,0,0|1,1,0]=4 925 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [2,0,0,0,0,0|1,1,0]=4 926 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [2,0,0,0,0,0|1,1,0]=4 927 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [2,0,0,0,0,0|2,0,0]=4 928 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [2,0,0,0,0,0|2,0,0]=4 929 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [2,0,0,0,0,0|2,0,0]=4 930 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [2,0,0,0,0,0|2,0,0]=4 931 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [2,0,0,0,0,0|2,0,0]=4 932 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [2,0,0,0,0,0|2,0,0]=4 933 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [2,0,0,0,0,0|2,0,0]=4 934 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [2,0,0,0,0,0|2,0,0]=4 935 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100000210202_100009992028 [2,0,0,0,0,0|2,0,0]=4 936 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100009992028_100000210202 [2,0,0,0,0,0|2,0,0]=4 937 B12R1.270 CCSc1cc(ccc1C)NC 62a_100000210202_100000707694 [2,0,0,0,0,0|2,0,0]=4 938 B12R1.270 CCSc1cc(ccc1C)NC 62a_100000707694_100000210202 [2,0,0,0,0,0|2,0,0]=4 939 B12R1.270 CCSc1cc(ccc1C)OC 62a_100000210202_100012349166 [2,0,0,0,0,0|1,0,0]=3 940 B12R1.270 CCSc1cc(ccc1C)OC 62a_100012349166_100000210202 [2,0,0,0,0,0|1,0,0]=3 941 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100000210202_100011356938 [2,0,0,0,0,0|2,0,0]=4 942 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100011356938_100000210202 [2,0,0,0,0,0|2,0,0]=4 943 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000210202_100000699733 [2,0,0,0,0,0|2,0,0]=4 944 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000699733_100000210202 [2,0,0,0,0,0|2,0,0]=4 945 B12R1.270 CCSc1cc(ccc1N)OC 62a_100000210202_100015195136 [2,0,0,0,0,0|2,0,0]=4 946 B12R1.270 CCSc1cc(ccc1N)OC 62a_100015195136_100000210202 [2,0,0,0,0,0|2,0,0]=4 947 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [2,0,0,0,0,0|2,0,0]=4 948 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [2,0,0,0,0,0|2,0,0]=4 949 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [2,0,0,0,0,0|1,0,0]=3 950 B12R1.270 CCSc1cc(ncc1C)OC 62a_100000210202_100010068546 [2,0,0,0,0,0|2,0,0]=4 951 B12R1.270 CCSc1cc(ncc1C)OC 62a_100010068546_100000210202 [2,0,0,0,0,0|2,0,0]=4 952 B12R1.270 CNCc1cc(ccc1Br)OC 207a_100102657272_100000691568 [2,0,0,0,0,0|2,0,0]=4 953 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_100000741592_200000210301 [2,0,0,0,0,0|2,0,0]=4 954 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_106832991635_100000761528 [2,0,0,0,0,0|2,0,0]=4 955 B12R1.270 CNCc1cc(ccc1Br)OC 26a_100102657272_100000719091 [2,0,0,0,0,0|2,0,0]=4 956 B12R1.270 CNCc1cc(ccc1Br)OC 270004a_106832991635_100000691568 [2,0,0,0,0,0|2,0,0]=4 957 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100000741592_200000210301 [2,0,0,0,0,0|2,0,0]=4 958 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100102657272_100000761528 [2,0,0,0,0,0|2,0,0]=4 959 B12R1.270 CNCc1cc(ccc1Br)OC 7a_106832991635_100000761528 [2,0,0,0,0,0|2,0,0]=4 960 B12R1.270 CNCc1cc(ccc1C)OC 207a_100102657272_100012017359 [2,0,0,0,0,0|1,0,0]=3 961 B12R1.270 CNCc1cc(ccc1C)OC 270004a_106832991635_100012017359 [2,0,0,0,0,0|1,0,0]=3 962 B12R1.270 CNCc1cc(ccc1C)OC 34a_100012180165_200000210301 [2,0,0,0,0,0|1,0,0]=3 963 B12R1.270 CNCc1cc(ccc1C)SC 62a_106744473289_200000210301 [2,0,0,0,0,0|1,1,0]=4 964 B12R1.270 CNCc1cc(ccc1C)SC 62a_200000210301_106744473289 [2,0,0,0,0,0|1,1,0]=4 965 B12R1.270 CNCc1cc(ccc1C)S[13CH3] 62a_106744473289_200025704644 [2,0,0,0,0,0|1,1,0]=4 966 B12R1.270 CNCc1cc(ccc1C)S[13CH3] 62a_200025704644_106744473289 [2,0,0,0,0,0|1,1,0]=4 967 B12R1.270 CNCc1cc(ccc1Cl)OC 207a_100102657272_100000117592 [2,0,0,0,0,0|2,0,0]=4 968 B12R1.270 CNCc1cc(ccc1Cl)OC 2230a_106832991635_100000718613 [2,0,0,0,0,0|2,0,0]=4 969 B12R1.270 CNCc1cc(ccc1Cl)OC 26a_100102657272_100011516019 [2,0,0,0,0,0|2,0,0]=4 970 B12R1.270 CNCc1cc(ccc1Cl)OC 270004a_106832991635_100000117592 [2,0,0,0,0,0|2,0,0]=4 971 B12R1.270 CNCc1cc(ccc1Cl)OC 34a_100102657272_100000718613 [2,0,0,0,0,0|2,0,0]=4 972 B12R1.270 CNCc1cc(ccc1Cl)OC 7a_106832991635_100000718613 [2,0,0,0,0,0|2,0,0]=4 973 B12R1.270 CNCc1cc(ccc1F)OC 207a_100102657272_100000034340 [2,0,0,0,0,0|2,0,0]=4 974 B12R1.270 CNCc1cc(ccc1F)OC 2230a_106832991635_100010243555 [2,0,0,0,0,0|2,0,0]=4 975 B12R1.270 CNCc1cc(ccc1F)OC 270004a_106832991635_100000034340 [2,0,0,0,0,0|2,0,0]=4 976 B12R1.270 CNCc1cc(ccc1F)OC 34a_100016995475_200000210301 [2,0,0,0,0,0|2,0,0]=4 977 B12R1.270 CNCc1cc(ccc1F)OC 34a_100102657272_100010243555 [2,0,0,0,0,0|2,0,0]=4 978 B12R1.270 CNCc1cc(ccc1F)OC 7a_106832991635_100010243555 [2,0,0,0,0,0|2,0,0]=4 979 B12R1.270 CNCc1cc(ccc1I)OC 207a_100102657272_100010075557 [2,0,0,0,0,0|2,0,0]=4 980 B12R1.270 CNCc1cc(ccc1I)OC 270004a_106832991635_100010075557 [2,0,0,0,0,0|2,0,0]=4 981 B12R1.270 CNCc1cc(ccc1O)SC 62a_100011602694_200000210301 [2,0,0,0,0,0|1,1,0]=4 982 B12R1.270 CNCc1cc(ccc1O)SC 62a_200000210301_100011602694 [2,0,0,0,0,0|1,1,0]=4 983 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_100011602694_200025704644 [2,0,0,0,0,0|1,1,0]=4 984 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100011602694 [2,0,0,0,0,0|1,1,0]=4 985 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [2,0,0,0,0,0|2,0,0]=4 986 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [2,0,0,0,0,0|2,0,0]=4 987 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [2,0,0,0,0,0|2,0,0]=4 988 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [2,0,0,0,0,0|1,0,0]=3 989 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [2,0,0,0,0,0|1,0,0]=3 990 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [2,0,0,0,0,0|2,0,0]=4 991 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [2,0,0,0,0,0|2,0,0]=4 992 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [2,0,0,0,0,0|2,0,0]=4 993 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [2,0,0,0,0,0|2,0,0]=4 994 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [2,0,0,0,0,0|2,0,0]=4 995 B12R1.270 COc1ccc(c(c1)CC#N)O 271570a_203496583355_100012259381 [2,0,0,0,0,0|0,0,2]=4 996 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [2,0,0,0,0,0|1,0,0]=3 997 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 2230a_100000741592_200025704644 [2,0,0,0,0,0|2,0,0]=4 998 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 34a_100000741592_200025704644 [2,0,0,0,0,0|2,0,0]=4 999 B12R1.270 COc1ccc(c(c1)CN[13CH3])C 34a_100012180165_200025704644 [2,0,0,0,0,0|1,0,0]=3 1000 B12R1.270 COc1ccc(c(c1)CN[13CH3])F 34a_100016995475_200025704644 [2,0,0,0,0,0|2,0,0]=4 1001 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1002 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1003 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [2,0,0,0,0,0|1,0,0]=3 1004 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [2,0,0,0,0,0|1,0,0]=3 1005 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [2,0,0,0,0,0|2,0,0]=4 1006 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [2,0,0,0,0,0|2,0,0]=4 1007 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [2,0,0,0,0,0|2,0,0]=4 1008 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_100000761528_200000210301 [2,0,0,0,0,0|2,0,0]=4 1009 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_200000210301_100000761528 [2,0,0,0,0,0|2,0,0]=4 1010 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_100000718613_200000210301 [2,0,0,0,0,0|2,0,0]=4 1011 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_200000210301_100000718613 [2,0,0,0,0,0|2,0,0]=4 1012 B12R1.270 COc1ccc(c(c1)CSC)F 62a_100010243555_200000210301 [2,0,0,0,0,0|2,0,0]=4 1013 B12R1.270 COc1ccc(c(c1)CSC)F 62a_200000210301_100010243555 [2,0,0,0,0,0|2,0,0]=4 1014 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_100000761528_200025704644 [2,0,0,0,0,0|2,0,0]=4 1015 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_200025704644_100000761528 [2,0,0,0,0,0|2,0,0]=4 1016 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_100000718613_200025704644 [2,0,0,0,0,0|2,0,0]=4 1017 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100000718613 [2,0,0,0,0,0|2,0,0]=4 1018 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_100010243555_200025704644 [2,0,0,0,0,0|2,0,0]=4 1019 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100010243555 [2,0,0,0,0,0|2,0,0]=4 1020 B12R1.270 COc1ccc(c(c1)NCF)C 34a_100000760359_100015361967 [2,0,0,0,0,0|2,0,0]=4 1021 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [2,0,0,0,0,0|2,0,0]=4 1022 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [2,0,0,0,0,0|2,0,0]=4 1023 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [2,0,0,0,0,0|2,0,0]=4 1024 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100012349166_100015361967 [2,0,0,0,0,0|2,0,0]=4 1025 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100015361967_100012349166 [2,0,0,0,0,0|2,0,0]=4 1026 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [2,0,0,0,0,0|2,0,0]=4 1027 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_100010883412_200025704644 [2,0,0,0,0,0|1,1,0]=4 1028 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100010883412 [2,0,0,0,0,0|1,1,0]=4 1029 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [2,0,0,0,0,0|2,0,0]=4 1030 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [2,0,0,0,0,0|2,0,0]=4 1031 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [2,0,0,0,0,0|1,0,1]=4 1032 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [2,0,0,0,0,0|1,0,1]=4 1033 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [2,0,0,0,0,0|1,0,1]=4 1034 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [2,0,0,0,0,0|1,0,1]=4 1035 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [2,0,0,0,0,0|1,0,1]=4 1036 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [2,0,0,0,0,0|2,0,0]=4 1037 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [2,0,0,0,0,0|2,0,0]=4 1038 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [2,0,0,0,0,0|2,0,0]=4 1039 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [2,0,0,0,0,0|2,0,0]=4 1040 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [2,0,0,0,0,0|2,0,0]=4 1041 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [2,0,0,0,0,0|2,0,0]=4 1042 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [2,0,0,0,0,0|2,0,0]=4 1043 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [2,0,0,0,0,0|2,0,0]=4 1044 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [2,0,0,0,0,0|2,0,0]=4 1045 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [2,0,0,0,0,0|2,0,0]=4 1046 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [2,0,0,0,0,0|2,0,0]=4 1047 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [2,0,0,0,0,0|2,0,0]=4 1048 B12R1.438 COc1cccc(c1)SC(C)C 62a_100000210206_100000170001 [2,0,0,0,0,0|2,0,0]=4 1049 B12R1.438 CSc1cccc(c1)CC(C)C 62a_100010883412_200000210301 [2,0,0,0,0,0|1,1,0]=4 1050 B12R1.438 CSc1cccc(c1)CC(C)C 62a_200000210301_100010883412 [2,0,0,0,0,0|1,1,0]=4 1051 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [2,0,0,0,0,0|1,0,1]=4 1052 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [2,0,0,0,0,0|1,0,1]=4 1053 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [2,0,0,0,0,0|0,0,2]=4 1054 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [2,0,0,0,0,0|1,0,1]=4 1055 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [2,0,0,0,0,0|1,0,1]=4 1056 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [2,0,0,0,0,0|1,0,1]=4 1057 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [2,0,0,0,0,0|1,0,1]=4 1058 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [2,0,0,0,0,0|0,1,0]=3 1059 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [2,0,0,0,0,0|0,1,0]=3 1060 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [2,0,0,0,0,0|0,1,0]=3 1061 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [2,0,0,0,0,0|0,1,0]=3 1062 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [2,0,0,0,0,0|0,1,0]=3 1063 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [2,0,0,0,0,0|0,1,0]=3 1064 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [2,0,0,0,0,0|0,1,0]=3 1065 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [2,0,0,0,0,0|0,1,0]=3 1066 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [2,0,0,0,0,0|2,0,0]=4 1067 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [2,0,0,0,0,0|2,0,0]=4 1068 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [2,0,0,0,0,0|2,0,0]=4 1069 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [2,0,0,0,0,0|2,0,0]=4 1070 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [2,0,0,0,0,0|2,0,0]=4 1071 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [2,0,0,0,0,0|2,0,0]=4 1072 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [2,0,0,0,0,0|2,0,0]=4 1073 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [2,0,0,0,0,0|2,0,0]=4 1074 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [2,0,0,0,0,0|2,0,0]=4 1075 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [2,0,0,0,0,0|2,0,0]=4 1076 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [2,0,0,0,0,0|2,0,0]=4 1077 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [2,0,0,0,0,0|2,0,0]=4 1078 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [2,0,0,0,0,0|2,0,0]=4 1079 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [2,0,0,0,0,0|2,0,0]=4 1080 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [2,0,0,0,0,0|2,0,0]=4 1081 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [2,0,0,0,0,0|2,0,0]=4 1082 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [2,0,0,0,0,0|1,0,0]=3 1083 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [2,0,0,0,0,0|1,0,0]=3 1084 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [2,0,0,0,0,0|2,0,0]=4 1085 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [2,0,0,0,0,0|2,0,0]=4 1086 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [2,0,0,0,0,0|2,0,0]=4 1087 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [2,0,0,0,0,0|2,0,0]=4 1088 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [2,0,0,0,0,0|2,0,0]=4 1089 B12R1.78 CNc1ccc(cc1CO)OC 34a_100012001277_200000210301 [2,0,0,0,0,0|2,0,0]=4 1090 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [2,0,0,0,0,0|2,0,0]=4 1091 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [2,0,0,0,0,0|2,0,0]=4 1092 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [2,0,0,0,0,0|0,0,2]=4 1093 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [2,0,0,0,0,0|0,0,2]=4 1094 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [2,0,0,0,0,0|0,0,2]=4 1095 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [2,0,0,0,0,0|0,0,2]=4 1096 B12R1.78 COc1ccc(c(c1)CN)SC 62a_100000741592_200000210301 [2,0,0,0,0,0|0,1,0]=3 1097 B12R1.78 COc1ccc(c(c1)CN)SC 62a_200000210301_100000741592 [2,0,0,0,0,0|0,1,0]=3 1098 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_100000741592_200025704644 [2,0,0,0,0,0|0,1,0]=3 1099 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_200025704644_100000741592 [2,0,0,0,0,0|0,1,0]=3 1100 B12R1.78 COc1ccc(c(c1)CO)N[13CH3] 34a_100012001277_200025704644 [2,0,0,0,0,0|2,0,0]=4 1101 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200000210301_200011273942 [2,0,0,0,0,0|1,1,0]=4 1102 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200011273942_200000210301 [2,0,0,0,0,0|1,1,0]=4 1103 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200011273942_200025704644 [2,0,0,0,0,0|1,1,0]=4 1104 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_200011273942 [2,0,0,0,0,0|1,1,0]=4 1105 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [2,0,0,0,0,0|1,0,0]=3 1106 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [2,0,0,0,0,0|1,0,0]=3 1107 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [2,0,0,0,0,0|2,0,0]=4 1108 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [2,0,0,0,0,0|2,0,0]=4 1109 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [2,0,0,0,0,0|1,0,0]=3 1110 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [2,0,0,0,0,0|1,0,0]=3 1111 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [2,0,0,0,0,0|1,0,0]=3 1112 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [2,0,0,0,0,0|1,0,0]=3 1113 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [2,0,0,0,0,0|1,1,0]=4 1114 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [2,0,0,0,0,0|1,1,0]=4 1115 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [2,0,0,0,0,0|1,1,0]=4 1116 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [2,0,0,0,0,0|1,1,0]=4 1117 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [2,0,0,0,0,0|1,0,0]=3 1118 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [2,0,0,0,0,0|1,0,0]=3 1119 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [2,0,0,0,0,0|1,0,0]=3 1120 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [2,0,0,0,0,0|1,0,0]=3 1121 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [2,0,0,0,0,0|1,0,0]=3 1122 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [2,0,0,0,0,0|2,0,0]=4 1123 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [2,0,0,0,0,0|2,0,0]=4 1124 B12R1.78 COc1ccc(cc1CN)SC 62a_100000690498_200000210301 [2,0,0,0,0,0|0,1,0]=3 1125 B12R1.78 COc1ccc(cc1CN)SC 62a_200000210301_100000690498 [2,0,0,0,0,0|0,1,0]=3 1126 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_100000690498_200025704644 [2,0,0,0,0,0|0,1,0]=3 1127 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_200025704644_100000690498 [2,0,0,0,0,0|0,1,0]=3 1128 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [2,0,0,0,0,0|1,1,0]=4 1129 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [2,0,0,0,0,0|1,1,0]=4 1130 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [2,0,0,0,0,0|1,1,0]=4 1131 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [2,0,0,0,0,0|1,1,0]=4 1132 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [2,0,0,0,0,0|2,0,0]=4 1133 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [2,0,0,0,0,0|1,0,0]=3 1134 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [2,0,0,0,0,0|1,1,0]=4 1135 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [2,0,0,0,0,0|1,1,0]=4 1136 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [2,0,0,0,0,0|1,1,0]=4 1137 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [2,0,0,0,0,0|1,1,0]=4 1138 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [2,0,0,0,0,0|0,0,2]=4 1139 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [2,0,0,0,0,0|0,0,2]=4 1140 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [2,0,0,0,0,0|2,0,0]=4 1141 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [2,0,0,0,0,0|1,0,0]=3 1142 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [2,0,0,0,0,0|1,0,0]=3 1143 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [2,0,0,0,0,0|2,0,0]=4 1144 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [2,0,0,0,0,0|2,0,0]=4 1145 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [2,0,0,0,0,0|2,0,0]=4 1146 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [2,0,0,0,0,0|2,0,0]=4 1147 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [2,0,0,0,0,0|2,0,0]=4 1148 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [2,0,0,0,0,0|2,0,0]=4 1149 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [2,0,0,0,0,0|2,0,0]=4 1150 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [2,0,0,0,0,0|2,0,0]=4 1151 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [2,0,0,0,0,0|1,0,0]=3 1152 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [2,0,0,0,0,0|1,0,0]=3 1153 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [2,0,0,0,0,0|1,0,0]=3 1154 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [2,0,0,0,0,0|1,0,0]=3 1155 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [2,0,0,0,0,0|2,0,0]=4 1156 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [2,0,0,0,0,0|2,0,0]=4 1157 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [2,0,0,0,0,0|2,0,0]=4 1158 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [2,0,0,0,0,0|2,0,0]=4 1159 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [2,0,0,0,0,0|2,0,0]=4 1160 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [2,0,0,0,0,0|1,0,0]=3 1161 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [2,0,0,0,0,0|1,0,0]=3 1162 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [2,0,0,0,0,0|1,0,0]=3 1163 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [2,0,0,0,0,0|1,1,0]=4 1164 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [2,0,0,0,0,0|1,1,0]=4 1165 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [2,0,0,0,0,0|1,1,0]=4 1166 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [2,0,0,0,0,0|1,1,0]=4 1167 B12R1.268 CCSc1cc(ccc1NC)C 62a_100000210202_100000221369 [2,0,0,0,0,0|2,0,0]=4 1168 B12R1.268 CCSc1cc(ccc1NC)C 62a_100000221369_100000210202 [2,0,0,0,0,0|2,0,0]=4 1169 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [2,0,0,0,0,0|2,0,0]=4 1170 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [2,0,0,0,0,0|2,0,0]=4 1171 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [2,0,0,0,0,0|1,0,0]=3 1172 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [2,0,0,0,0,0|1,0,0]=3 1173 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [2,0,0,0,0,0|2,0,0]=4 1174 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [2,0,0,0,0,0|2,0,0]=4 1175 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [2,0,0,0,0,0|2,0,0]=4 1176 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [2,0,0,0,0,0|2,0,0]=4 1177 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [2,0,0,0,0,0|2,0,0]=4 1178 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [2,0,0,0,0,0|2,0,0]=4 1179 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [2,0,0,0,0,0|1,0,0]=3 1180 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [2,0,0,0,0,0|1,0,0]=3 1181 B12R1.268 CCSc1cc(ccc1SC)C 62a_100000210202_200010201864 [2,0,0,0,0,0|1,1,0]=4 1182 B12R1.268 CCSc1cc(ccc1SC)C 62a_200010201864_100000210202 [2,0,0,0,0,0|1,1,0]=4 1183 B12R1.268 CCSc1cc(cnc1OC)C 62a_100000210202_100012353929 [2,0,0,0,0,0|2,0,0]=4 1184 B12R1.268 CCSc1cc(cnc1OC)C 62a_100012353929_100000210202 [2,0,0,0,0,0|2,0,0]=4 1185 B12R1.268 CCSc1cc(ncc1OC)C 62a_100000210202_100010109759 [2,0,0,0,0,0|2,0,0]=4 1186 B12R1.268 CCSc1cc(ncc1OC)C 62a_100010109759_100000210202 [2,0,0,0,0,0|2,0,0]=4 1187 B12R1.268 CCSc1nc(ccc1OC)C 62a_100000210202_100009820875 [2,0,0,0,0,0|2,0,0]=4 1188 B12R1.268 CCSc1nc(ccc1OC)C 62a_100009820875_100000210202 [2,0,0,0,0,0|2,0,0]=4 1189 B12R1.268 CNCc1cc(ccc1OC)Br 207a_100102657272_100000170026 [2,0,0,0,0,0|2,0,0]=4 1190 B12R1.268 CNCc1cc(ccc1OC)Br 2230a_106832991635_100000204665 [2,0,0,0,0,0|2,0,0]=4 1191 B12R1.268 CNCc1cc(ccc1OC)Br 26a_100102657272_100009816560 [2,0,0,0,0,0|2,0,0]=4 1192 B12R1.268 CNCc1cc(ccc1OC)Br 270004a_106832991635_100000170026 [2,0,0,0,0,0|2,0,0]=4 1193 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100000690498_200000210301 [2,0,0,0,0,0|2,0,0]=4 1194 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100011602694_200000210301 [2,0,0,0,0,0|2,0,0]=4 1195 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100102657272_100000204665 [2,0,0,0,0,0|2,0,0]=4 1196 B12R1.268 CNCc1cc(ccc1OC)Br 7a_106832991635_100000204665 [2,0,0,0,0,0|2,0,0]=4 1197 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [2,0,0,0,0,0|1,0,0]=3 1198 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [2,0,0,0,0,0|1,0,0]=3 1199 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [2,0,0,0,0,0|1,0,0]=3 1200 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [2,0,0,0,0,0|1,0,0]=3 1201 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [2,0,0,0,0,0|1,0,0]=3 1202 B12R1.268 CNCc1cc(ccc1OC)Cl 207a_100102657272_100000188328 [2,0,0,0,0,0|2,0,0]=4 1203 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_100000740580_200000210301 [2,0,0,0,0,0|2,0,0]=4 1204 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_106832991635_100000209806 [2,0,0,0,0,0|2,0,0]=4 1205 B12R1.268 CNCc1cc(ccc1OC)Cl 270004a_106832991635_100000188328 [2,0,0,0,0,0|2,0,0]=4 1206 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000712467_200000210301 [2,0,0,0,0,0|2,0,0]=4 1207 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000740580_200000210301 [2,0,0,0,0,0|2,0,0]=4 1208 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100102657272_100000209806 [2,0,0,0,0,0|2,0,0]=4 1209 B12R1.268 CNCc1cc(ccc1OC)Cl 7a_106832991635_100000209806 [2,0,0,0,0,0|2,0,0]=4 1210 B12R1.268 CNCc1cc(ccc1OC)F 207a_100102657272_100000722865 [2,0,0,0,0,0|2,0,0]=4 1211 B12R1.268 CNCc1cc(ccc1OC)F 2230a_106832991635_100011830354 [2,0,0,0,0,0|2,0,0]=4 1212 B12R1.268 CNCc1cc(ccc1OC)F 270004a_106832991635_100000722865 [2,0,0,0,0,0|2,0,0]=4 1213 B12R1.268 CNCc1cc(ccc1OC)F 34a_100011199032_200000210301 [2,0,0,0,0,0|2,0,0]=4 1214 B12R1.268 CNCc1cc(ccc1OC)F 34a_100102657272_100011830354 [2,0,0,0,0,0|2,0,0]=4 1215 B12R1.268 CNCc1cc(ccc1OC)F 34a_114855342409_200000210301 [2,0,0,0,0,0|2,0,0]=4 1216 B12R1.268 CNCc1cc(ccc1OC)F 7a_106832991635_100011830354 [2,0,0,0,0,0|2,0,0]=4 1217 B12R1.268 CNCc1cc(ccc1OC)I 207a_100102657272_100011266407 [2,0,0,0,0,0|2,0,0]=4 1218 B12R1.268 CNCc1cc(ccc1OC)I 270004a_106832991635_100011266407 [2,0,0,0,0,0|2,0,0]=4 1219 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [2,0,0,0,0,0|1,0,0]=3 1220 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [2,0,0,0,0,0|1,0,0]=3 1221 B12R1.268 CNCc1cc(ccc1O[13CH3])Br 34a_100011602694_200025704644 [2,0,0,0,0,0|2,0,0]=4 1222 B12R1.268 CNCc1cc(ccc1O[13CH3])Cl 34a_100000712467_200025704644 [2,0,0,0,0,0|2,0,0]=4 1223 B12R1.268 CNCc1cc(ccc1O[13CH3])F 34a_114855342409_200025704644 [2,0,0,0,0,0|2,0,0]=4 1224 B12R1.268 CNCc1cc(cnc1OC)C 207a_100102657272_100000118322 [2,0,0,0,0,0|2,0,0]=4 1225 B12R1.268 CNCc1cc(cnc1OC)C 270004a_106832991635_100000118322 [2,0,0,0,0,0|2,0,0]=4 1226 B12R1.268 COCc1cc(ccc1OC)Br 34a_100000204679_200000210301 [2,0,0,0,0,0|2,0,0]=4 1227 B12R1.268 COCc1cc(ccc1OC)Br 34a_100138415774_100000204665 [2,0,0,0,0,0|2,0,0]=4 1228 B12R1.268 COCc1cc(ccc1OC)Br 7a_100000204679_200000210301 [2,0,0,0,0,0|2,0,0]=4 1229 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [2,0,0,0,0,0|1,0,0]=3 1230 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [2,0,0,0,0,0|1,0,0]=3 1231 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [2,0,0,0,0,0|1,0,0]=3 1232 B12R1.268 COCc1cc(ccc1OC)Cl 34a_100138415774_100000209806 [2,0,0,0,0,0|2,0,0]=4 1233 B12R1.268 COCc1cc(ccc1OC)F 34a_100011266440_200000210301 [2,0,0,0,0,0|2,0,0]=4 1234 B12R1.268 COCc1cc(ccc1OC)F 34a_100135391359_200000210301 [2,0,0,0,0,0|2,0,0]=4 1235 B12R1.268 COCc1cc(ccc1OC)F 34a_100138415774_100011830354 [2,0,0,0,0,0|2,0,0]=4 1236 B12R1.268 COCc1cc(ccc1OC)F 7a_100011266440_200000210301 [2,0,0,0,0,0|2,0,0]=4 1237 B12R1.268 COCc1cc(ccc1OC)F 7a_100135391359_200000210301 [2,0,0,0,0,0|2,0,0]=4 1238 B12R1.268 COCc1cc(ccc1OC)I 34a_200137411115_200000210301 [2,0,0,0,0,0|2,0,0]=4 1239 B12R1.268 COCc1cc(ccc1OC)I 7a_200137411115_200000210301 [2,0,0,0,0,0|2,0,0]=4 1240 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [2,0,0,0,0,0|1,0,0]=3 1241 B12R1.268 COCc1cc(ccc1O[13CH3])F 34a_100135391359_200025704644 [2,0,0,0,0,0|2,0,0]=4 1242 B12R1.268 COCc1cc(ccc1O[13CH3])F 7a_100135391359_200025704644 [2,0,0,0,0,0|2,0,0]=4 1243 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [2,0,0,0,0,0|0,0,2]=4 1244 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [2,0,0,0,0,0|0,0,0]=2 1245 B12R1.268 COc1ccc(cc1CN[13CH3])Br 34a_100000690498_200025704644 [2,0,0,0,0,0|2,0,0]=4 1246 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 2230a_100000740580_200025704644 [2,0,0,0,0,0|2,0,0]=4 1247 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 34a_100000740580_200025704644 [2,0,0,0,0,0|2,0,0]=4 1248 B12R1.268 COc1ccc(cc1CN[13CH3])F 34a_100011199032_200025704644 [2,0,0,0,0,0|2,0,0]=4 1249 B12R1.268 COc1ccc(cc1CO[13CH3])Br 34a_100000204679_200025704644 [2,0,0,0,0,0|2,0,0]=4 1250 B12R1.268 COc1ccc(cc1CO[13CH3])Br 7a_100000204679_200025704644 [2,0,0,0,0,0|2,0,0]=4 1251 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [2,0,0,0,0,0|1,0,0]=3 1252 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [2,0,0,0,0,0|1,0,0]=3 1253 B12R1.268 COc1ccc(cc1CO[13CH3])F 34a_100011266440_200025704644 [2,0,0,0,0,0|2,0,0]=4 1254 B12R1.268 COc1ccc(cc1CO[13CH3])F 7a_100011266440_200025704644 [2,0,0,0,0,0|2,0,0]=4 1255 B12R1.268 COc1ccc(cc1CO[13CH3])I 34a_200137411115_200025704644 [2,0,0,0,0,0|2,0,0]=4 1256 B12R1.268 COc1ccc(cc1CO[13CH3])I 7a_200137411115_200025704644 [2,0,0,0,0,0|2,0,0]=4 1257 B12R1.268 COc1ccc(cc1CSC)Br 62a_100000204665_200000210301 [2,0,0,0,0,0|2,0,0]=4 1258 B12R1.268 COc1ccc(cc1CSC)Br 62a_200000210301_100000204665 [2,0,0,0,0,0|2,0,0]=4 1259 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [2,0,0,0,0,0|1,0,0]=3 1260 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [2,0,0,0,0,0|1,0,0]=3 1261 B12R1.268 COc1ccc(cc1CSC)Cl 62a_100000209806_200000210301 [2,0,0,0,0,0|2,0,0]=4 1262 B12R1.268 COc1ccc(cc1CSC)Cl 62a_200000210301_100000209806 [2,0,0,0,0,0|2,0,0]=4 1263 B12R1.268 COc1ccc(cc1CSC)F 62a_100011830354_200000210301 [2,0,0,0,0,0|2,0,0]=4 1264 B12R1.268 COc1ccc(cc1CSC)F 62a_200000210301_100011830354 [2,0,0,0,0,0|2,0,0]=4 1265 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_100000204665_200025704644 [2,0,0,0,0,0|2,0,0]=4 1266 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_200025704644_100000204665 [2,0,0,0,0,0|2,0,0]=4 1267 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [2,0,0,0,0,0|1,0,0]=3 1268 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [2,0,0,0,0,0|1,0,0]=3 1269 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_100000209806_200025704644 [2,0,0,0,0,0|2,0,0]=4 1270 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100000209806 [2,0,0,0,0,0|2,0,0]=4 1271 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_100011830354_200025704644 [2,0,0,0,0,0|2,0,0]=4 1272 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_200025704644_100011830354 [2,0,0,0,0,0|2,0,0]=4 1273 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [2,0,0,0,0,0|2,0,0]=4 1274 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [2,0,0,0,0,0|2,0,0]=4 1275 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [2,0,0,0,0,0|2,0,0]=4 1276 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [2,0,0,0,0,0|2,0,0]=4 1277 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [2,0,0,0,0,0|2,0,0]=4 1278 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [2,0,0,0,0,0|2,0,0]=4 1279 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [2,0,0,0,0,0|2,0,0]=4 1280 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [2,0,0,0,0,0|2,0,0]=4 1281 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [2,0,0,0,0,0|2,0,0]=4 1282 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [2,0,0,0,0,0|1,0,1]=4 1283 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [2,0,0,0,0,0|1,0,1]=4 1284 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [2,0,0,0,0,0|1,0,1]=4 1285 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [2,0,0,0,0,0|2,0,0]=4 1286 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [2,0,0,0,0,0|2,0,0]=4 1287 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [2,0,0,0,0,0|2,0,0]=4 1288 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [2,0,0,0,0,0|2,0,0]=4 1289 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [2,0,0,0,0,0|2,0,0]=4 1290 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [2,0,0,0,0,0|2,0,0]=4 1291 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [2,0,0,0,0,0|2,0,0]=4 1292 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [2,0,0,0,0,0|2,0,0]=4 1293 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [2,0,0,0,0,0|2,0,0]=4 1294 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [2,0,0,0,0,0|2,0,0]=4 1295 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [2,0,0,0,0,0|2,0,0]=4 1296 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [2,0,0,0,0,0|2,0,0]=4 1297 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [2,0,0,0,0,0|2,0,0]=4 1298 B14R1.489 CCOc1ccc(c(c1)SC(C)C)C 62a_100000210206_100011099959 [1,1,0,0,0,0|2,0,0]=4 1299 B14R1.489 COCc1ccc(c(c1)SC(C)C)C 62a_100000210206_200015395492 [1,1,0,0,0,0|2,0,0]=4 1300 B14R1.489 COCc1ccc(c(c1)SC(C)C)C 62a_200015395492_100000210206 [1,1,0,0,0,0|2,0,0]=4 1301 B14R1.578 COc1cc(c(c(c1)NC(C)C)O)Br 34a_200010008348_100000210206 [1,1,0,0,0,0|2,0,0]=4 1302 B14R1.578 COc1cc(c(c(c1)SC(C)C)O)N 62a_100000210206_200010008348 [1,1,0,0,0,0|2,0,0]=4 1303 B14R1.881 COc1cc(c(cc1Br)C)NC(C)C 34a_100010232211_100000210206 [1,1,0,0,0,0|2,0,0]=4 1304 B14R1.881 COc1cc(c(cc1Br)C)NC(C)C 7a_100010232211_100000210206 [1,1,0,0,0,0|2,0,0]=4 1305 B14R1.881 COc1cc(c(cc1Cl)C)NC(C)C 2230a_100009858536_100000210206 [1,1,0,0,0,0|2,0,0]=4 1306 B14R1.881 COc1cc(c(cc1Cl)C)NC(C)C 34a_100009858536_100000210206 [1,1,0,0,0,0|2,0,0]=4 1307 B14R1.881 COc1cc(c(cc1Cl)C)NC(C)C 7a_100009858536_100000210206 [1,1,0,0,0,0|2,0,0]=4 1308 B14R1.881 COc1cc(c(cc1F)C)SC(C)C 62a_100000210206_100011009880 [1,1,0,0,0,0|2,0,0]=4 1309 B14R1.881 COc1cc(c(cc1F)C)SC(C)C 62a_100011009880_100000210206 [1,1,0,0,0,0|2,0,0]=4 1310 B14R1.881 COc1cc(c(cc1N)C)SC(C)C 62a_100000210206_100010141321 [1,1,0,0,0,0|2,0,0]=4 1311 B14R1.881 COc1cc(c(cc1N)C)SC(C)C 62a_100010141321_100000210206 [1,1,0,0,0,0|2,0,0]=4 1312 B14R1.2318 COc1ccc(c(c1C)NC(C)C)C 34a_100000089760_100000210206 [1,1,0,0,0,0|2,0,0]=4 1313 B14R1.2318 COc1ccc(c(c1C)NC(C)C)C 7a_100000089760_100000210206 [1,1,0,0,0,0|2,0,0]=4 1314 B14R1.2318 COc1ccc(c(c1C)SC(C)C)C 62a_100000210206_100016151084 [1,1,0,0,0,0|2,0,0]=4 1315 B14R1.2318 COc1ccc(c(c1C)SC(C)C)C 62a_100016151084_100000210206 [1,1,0,0,0,0|2,0,0]=4 1316 B14R1.2336 COc1ccc(c(c1)NC(C)(C)C)C 34a_100000760359_100000210625 [1,1,0,0,0,0|2,0,0]=4 1317 B14R1.2336 COc1ccc(c(c1)NC(C)(C)C)O 34a_100000188146_100000210625 [1,1,0,0,0,0|2,0,0]=4 1318 B14R1.2336 COc1ccc(c(c1)OC(C)(C)C)C 34a_100012179981_100000210625 [1,1,0,0,0,0|2,0,0]=4 1319 B14R1.2336 COc1ccc(c(c1)SC(C)(C)C)C 62a_100000211941_100012349166 [1,1,0,0,0,0|2,0,0]=4 1320 B14R1.2336 COc1ccc(c(c1)SC(C)(C)C)C 62a_100012349166_100000211941 [1,1,0,0,0,0|2,0,0]=4 1321 B14R1.2336 COc1ccc(c(c1)SC(C)(C)C)O 62a_100000211941_100000685887 [1,1,0,0,0,0|2,0,0]=4 1322 B14R1.2340 COc1ccc(c(c1)C(=O)C(C)C)C 1458a_100011399813_100000210206 [1,1,0,0,0,0|1,0,1]=4 1323 B14R1.2340 COc1ccc(c(c1)C(=O)C(C)C)O 1458a_100000211986_100000210206 [1,1,0,0,0,0|1,0,1]=4 1324 B14R1.3724 C#CC(C)Nc1cc(ccc1C)OC 34a_100000760359_200000035995 [1,1,0,0,0,0|2,0,0]=4 1325 B14R1.3724 C#CC(C)Nc1cc(ccc1O)OC 34a_100000188146_200000035995 [1,1,0,0,0,0|2,0,0]=4 1326 B14R1.3724 C#CC(C)Oc1cc(ccc1C)OC 34a_100012179981_200000035995 [1,1,0,0,0,0|2,0,0]=4 1327 B14R1.3724 C#CC(C)Sc1cc(ccc1C)OC 62a_200000035995_100012349166 [1,1,0,0,0,0|2,0,0]=4 1328 B14R1.3724 C#CC(C)Sc1cc(ccc1O)OC 62a_200000035995_100000685887 [1,1,0,0,0,0|2,0,0]=4 1329 B14R1.3724 C=CC(C)Sc1cc(ccc1C)OC 62a_100011215867_100012349166 [1,1,0,0,0,0|2,0,0]=4 1330 B14R1.3724 C=CC(C)Sc1cc(ccc1O)OC 62a_100011215867_100000685887 [1,1,0,0,0,0|2,0,0]=4 1331 B14R1.3724 CCC(C)Nc1cc(ccc1C)OC 2230a_100000760359_100000758301 [1,1,0,0,0,0|2,0,0]=4 1332 B14R1.3724 CCC(C)Nc1cc(ccc1C)OC 34a_100000760359_100011215416 [1,1,0,0,0,0|2,0,0]=4 1333 B14R1.3724 CCC(C)Nc1cc(ccc1O)OC 34a_100000188146_100011215416 [1,1,0,0,0,0|2,0,0]=4 1334 B14R1.3724 CCC(C)Oc1cc(ccc1C)OC 34a_100012179981_100011215416 [1,1,0,0,0,0|2,0,0]=4 1335 B14R1.3724 CCC(C)Oc1cc(ccc1C)OC 7a_100012179981_100000758301 [1,1,0,0,0,0|2,0,0]=4 1336 B14R1.3724 CCC(C)Sc1cc(ccc1C)OC 62a_100000758301_100012349166 [1,1,0,0,0,0|2,0,0]=4 1337 B14R1.3724 CCC(C)Sc1cc(ccc1C)OC 62a_100012349166_100000758301 [1,1,0,0,0,0|2,0,0]=4 1338 B14R1.3724 CCC(C)Sc1cc(ccc1O)OC 62a_100000758301_100000685887 [1,1,0,0,0,0|2,0,0]=4 1339 B14R1.3724 COc1ccc(c(c1)NC(C)C#N)C 2230a_100000760359_100000184139 [1,1,0,0,0,0|1,0,1]=4 1340 B14R1.3724 COc1ccc(c(c1)NC(C)CO)C 2230a_100000760359_100012180447 [1,1,0,0,0,0|2,0,0]=4 1341 B14R1.3724 COc1ccc(c(c1)NC(C)CO)C 34a_100000760359_100012180447 [1,1,0,0,0,0|2,0,0]=4 1342 B14R1.3724 COc1ccc(c(c1)NC(C)CO)O 34a_100000188146_100012180447 [1,1,0,0,0,0|2,0,0]=4 1343 B14R1.3724 COc1ccc(c(c1)OC(C)C#N)C 7a_100012179981_100000703298 [1,1,0,0,0,0|1,0,1]=4 1344 B14R1.3724 COc1ccc(c(c1)OC(C)CO)C 34a_100012179981_100012180447 [1,1,0,0,0,0|2,0,0]=4 1345 B14R1.3724 COc1ccc(c(c1)OC(C)CO)C 7a_100012179981_100012180447 [1,1,0,0,0,0|2,0,0]=4 1346 B14R1.3724 COc1ccc(c(c1)SC(C)C#N)C 62a_100000703298_100012349166 [1,1,0,0,0,0|1,0,1]=4 1347 B14R1.3724 COc1ccc(c(c1)SC(C)C#N)C 62a_100012349166_100000703298 [1,1,0,0,0,0|1,0,1]=4 1348 B14R1.3724 COc1ccc(c(c1)SC(C)C#N)O 62a_100000703298_100000685887 [1,1,0,0,0,0|1,0,1]=4 1349 B14R1.3724 COc1ccc(c(c1)SC(C)CO)C 62a_100012180447_100012349166 [1,1,0,0,0,0|2,0,0]=4 1350 B14R1.3724 COc1ccc(c(c1)SC(C)CO)O 62a_100012180447_100000685887 [1,1,0,0,0,0|2,0,0]=4 1351 B14R1.3724 COc1ccc(c(c1)SC(C)OC)C 62a_100009879195_100012349166 [1,1,0,0,0,0|2,0,0]=4 1352 B14R1.3724 COc1ccc(c(c1)SC(C)OC)C 62a_100012349166_100009879195 [1,1,0,0,0,0|2,0,0]=4 1353 B14R1.3724 COc1ccc(c(c1)SC(C)OC)O 62a_100009879195_100000685887 [1,1,0,0,0,0|2,0,0]=4 1354 B14R1.3724 COc1ccc(c(c1)S[C@H](C)CO)C 62a_100012349166_100016084084 [1,1,0,0,0,0|2,0,0]=4 1355 B14R1.3724 COc1ccc(c(c1)S[C@H](C)CO)C 62a_100016084084_100012349166 [1,1,0,0,0,0|2,0,0]=4 1356 B14R1.3724 COc1ccc(c(c1)S[C@H](C)CO)O 62a_100016084084_100000685887 [1,1,0,0,0,0|2,0,0]=4 1357 B14R1.441 C=C(C)c1ccc(c(c1)CCN)OC 271570a_100000694244_100000763266 [1,1,0,0,0,0|1,0,0]=3 1358 B14R1.441 C=C(C)c1ccc(c(c1)CNC)OC 271570a_100000694244_100000690607 [1,1,0,0,0,0|2,0,0]=4 1359 B14R1.441 C=C(C)c1ccc(c(c1)COC)OC 271570a_100000694244_200011493686 [1,1,0,0,0,0|2,0,0]=4 1360 B14R1.441 C=C(C)c1ccc(c(c1)OCC)OC 271570a_100000694244_200010219349 [1,1,0,0,0,0|2,0,0]=4 1361 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 1458a_100000181421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 34a_100000732934_100000210202 [1,1,0,0,0,0|2,0,0]=4 1363 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 7a_100000732934_100000210202 [1,1,0,0,0,0|2,0,0]=4 1364 B14R1.441 CCOc1cc(ccc1OC)C(=O)[13CH3] 1458a_100000181421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1365 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000185153_100000210202 [1,1,0,0,0,0|2,0,0]=4 1366 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000210202_100000039561 [1,1,0,0,0,0|2,0,0]=4 1367 B14R1.441 CCSc1cc(ccc1OC)C(C)O 62a_100000210202_100000246541 [1,1,0,0,0,0|2,0,0]=4 1368 B14R1.441 CCSc1cc(ccc1OC)C(C)O 62a_100000246541_100000210202 [1,1,0,0,0,0|2,0,0]=4 1369 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 2230a_106832991635_100000199119 [1,1,0,0,0,0|2,0,0]=4 1370 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 26a_100102657272_100000732934 [1,1,0,0,0,0|2,0,0]=4 1371 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 34a_100102657272_100000199119 [1,1,0,0,0,0|2,0,0]=4 1372 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 7a_106832991635_100000199119 [1,1,0,0,0,0|2,0,0]=4 1373 B14R1.441 CNCc1cc(ccc1OC)C(C)C 207a_100102657272_200011216500 [1,1,0,0,0,0|2,0,0]=4 1374 B14R1.441 CNCc1cc(ccc1OC)C(C)C 270004a_106832991635_200011216500 [1,1,0,0,0,0|2,0,0]=4 1375 B14R1.441 COCc1cc(ccc1OC)C(=O)C 34a_100138415774_100000199119 [1,1,0,0,0,0|2,0,0]=4 1376 B14R1.441 COCc1cc(ccc1OC)C(=O)C 7a_100000246370_200000210301 [1,1,0,0,0,0|2,0,0]=4 1377 B14R1.441 COc1ccc(cc1CO[13CH3])C(=O)C 7a_100000246370_200025704644 [1,1,0,0,0,0|2,0,0]=4 1378 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_100000199119_200000210301 [1,1,0,0,0,0|2,0,0]=4 1379 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_200000210301_100000199119 [1,1,0,0,0,0|2,0,0]=4 1380 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_100000199119_200025704644 [1,1,0,0,0,0|2,0,0]=4 1381 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_200025704644_100000199119 [1,1,0,0,0,0|2,0,0]=4 1382 B14R1.759 C#CCNc1cc(ccc1OC)OC 2230a_100000184736_100000038162 [1,1,0,0,0,0|0,0,2]=4 1383 B14R1.759 C#CCNc1cc(ccc1OC)OC 34a_100000184736_100000184674 [1,1,0,0,0,0|0,0,2]=4 1384 B14R1.759 C#CCOc1cc(ccc1OC)OC 34a_100000074795_100000184674 [1,1,0,0,0,0|0,0,2]=4 1385 B14R1.759 C#CCSc1cc(ccc1OC)OC 62a_100000038162_100011215452 [1,1,0,0,0,0|0,0,2]=4 1386 B14R1.759 C#Cc1ccc(cc1COCC)OC 34a_200010997956_100000210202 [1,1,0,0,0,0|1,0,1]=4 1387 B14R1.759 C#Cc1ccc(cc1COCC)OC 7a_200010997956_100000210202 [1,1,0,0,0,0|1,0,1]=4 1388 B14R1.759 C=CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210623 [1,1,0,0,0,0|0,0,2]=4 1389 B14R1.759 C=CCNc1cc(ccc1OC)OC 34a_100000184736_100015514636 [1,1,0,0,0,0|0,0,2]=4 1390 B14R1.759 C=CCOc1cc(ccc1OC)OC 34a_100000074795_100015514636 [1,1,0,0,0,0|0,0,2]=4 1391 B14R1.759 C=CCSc1cc(ccc1OC)OC 62a_100000210623_100011215452 [1,1,0,0,0,0|0,0,2]=4 1392 B14R1.759 C=CCSc1cc(ccc1OC)OC 62a_100011215452_100000210623 [1,1,0,0,0,0|0,0,2]=4 1393 B14R1.759 C=Cc1ccc(c(c1)CNCC)OC 271570a_100011290941_100015182949 [1,1,0,0,0,0|1,0,1]=4 1394 B14R1.759 CCCCc1cc(ccc1C#N)OC 271570a_100020621405_100012355471 [1,1,0,0,0,0|2,0,0]=4 1395 B14R1.759 CCCCc1cc(ccc1C=O)OC 271570a_100020621405_100000723261 [1,1,0,0,0,0|2,0,0]=4 1396 B14R1.759 CCCCc1cc(ccc1CO)OC 271570a_100020621405_100011982768 [1,1,0,0,0,0|2,0,0]=4 1397 B14R1.759 CCCCc1cc(ccc1OC)C#N 271570a_100020621405_100000188253 [1,1,0,0,0,0|2,0,0]=4 1398 B14R1.759 CCCCc1cc(ccc1OC)C=O 271570a_100020621405_100000173361 [1,1,0,0,0,0|2,0,0]=4 1399 B14R1.759 CCCCc1cc(ccc1OC)CC 271570a_100020621405_100010062400 [1,1,0,0,0,0|1,0,0]=3 1400 B14R1.759 CCCCc1cc(ccc1OC)CN 271570a_100020621405_100159240714 [1,1,0,0,0,0|2,0,0]=4 1401 B14R1.759 CCCCc1cc(ccc1OC)CO 271570a_100020621405_100000246451 [1,1,0,0,0,0|2,0,0]=4 1402 B14R1.759 CCCCc1cc(ccc1OC)NC 271570a_100020621405_114948341033 [1,1,0,0,0,0|1,0,0]=3 1403 B14R1.759 CCCCc1cc(ccc1OC)OC 271570a_100020621405_100011215452 [1,1,0,0,0,0|0,0,0]=2 1404 B14R1.759 CCCNc1cc(ccc1C#N)OC 2230a_100000687564_100000210303 [1,1,0,0,0,0|2,0,0]=4 1405 B14R1.759 CCCNc1cc(ccc1C#N)OC 34a_100000687564_100000210303 [1,1,0,0,0,0|2,0,0]=4 1406 B14R1.759 CCCNc1cc(ccc1C#N)OC 7a_100000687564_100000210303 [1,1,0,0,0,0|2,0,0]=4 1407 B14R1.759 CCCNc1cc(ccc1CO)OC 34a_100011998734_100000210303 [1,1,0,0,0,0|2,0,0]=4 1408 B14R1.759 CCCNc1cc(ccc1OC)C#N 34a_100000747721_100000210303 [1,1,0,0,0,0|2,0,0]=4 1409 B14R1.759 CCCNc1cc(ccc1OC)C#N 7a_100000747721_100000210303 [1,1,0,0,0,0|2,0,0]=4 1410 B14R1.759 CCCNc1cc(ccc1OC)CC 2230a_100012035449_100000210303 [1,1,0,0,0,0|1,0,0]=3 1411 B14R1.759 CCCNc1cc(ccc1OC)CC 34a_100012035449_100000210303 [1,1,0,0,0,0|1,0,0]=3 1412 B14R1.759 CCCNc1cc(ccc1OC)CO 2230a_100011269841_100000210303 [1,1,0,0,0,0|2,0,0]=4 1413 B14R1.759 CCCNc1cc(ccc1OC)CO 34a_100011269841_100000210303 [1,1,0,0,0,0|2,0,0]=4 1414 B14R1.759 CCCNc1cc(ccc1OC)OC 2230a_100000184736_100000210303 [1,1,0,0,0,0|0,0,0]=2 1415 B14R1.759 CCCNc1cc(ccc1OC)OC 34a_100000184736_100000210303 [1,1,0,0,0,0|0,0,0]=2 1416 B14R1.759 CCCOc1cc(ccc1C#N)OC 34a_100011999188_100000210303 [1,1,0,0,0,0|2,0,0]=4 1417 B14R1.759 CCCOc1cc(ccc1C#N)OC 7a_100011999188_100000210303 [1,1,0,0,0,0|2,0,0]=4 1418 B14R1.759 CCCOc1cc(ccc1N=O)OC 34a_200010658452_100000210303 [1,1,0,0,0,0|2,0,0]=4 1419 B14R1.759 CCCOc1cc(ccc1N=O)OC 7a_200010658452_100000210303 [1,1,0,0,0,0|2,0,0]=4 1420 B14R1.759 CCCOc1cc(ccc1OC)C#N 34a_100000188611_100000210303 [1,1,0,0,0,0|2,0,0]=4 1421 B14R1.759 CCCOc1cc(ccc1OC)C#N 7a_100000188611_100000210303 [1,1,0,0,0,0|2,0,0]=4 1422 B14R1.759 CCCOc1cc(ccc1OC)CC 34a_100009844796_100000210303 [1,1,0,0,0,0|1,0,0]=3 1423 B14R1.759 CCCOc1cc(ccc1OC)CC 7a_100009844796_100000210303 [1,1,0,0,0,0|1,0,0]=3 1424 B14R1.759 CCCOc1cc(ccc1OC)CN 34a_100000740000_100000210303 [1,1,0,0,0,0|2,0,0]=4 1425 B14R1.759 CCCOc1cc(ccc1OC)CO 34a_100011215239_100000210303 [1,1,0,0,0,0|2,0,0]=4 1426 B14R1.759 CCCOc1cc(ccc1OC)OC 34a_100000074795_100000210303 [1,1,0,0,0,0|0,0,0]=2 1427 B14R1.759 CCCOc1cc(nnc1OC)OC 34a_200010760773_100000210303 [1,1,0,0,0,0|2,0,0]=4 1428 B14R1.759 CCCSc1cc(ccc1C#N)OC 62a_100000210303_100012355471 [1,1,0,0,0,0|2,0,0]=4 1429 B14R1.759 CCCSc1cc(ccc1C=O)OC 62a_100000210303_100000723261 [1,1,0,0,0,0|2,0,0]=4 1430 B14R1.759 CCCSc1cc(ccc1C=O)OC 62a_100000723261_100000210303 [1,1,0,0,0,0|2,0,0]=4 1431 B14R1.759 CCCSc1cc(ccc1CO)OC 62a_100000210303_100011982768 [1,1,0,0,0,0|2,0,0]=4 1432 B14R1.759 CCCSc1cc(ccc1CO)OC 62a_100011982768_100000210303 [1,1,0,0,0,0|2,0,0]=4 1433 B14R1.759 CCCSc1cc(ccc1OC)C#N 62a_100000210303_100000188253 [1,1,0,0,0,0|2,0,0]=4 1434 B14R1.759 CCCSc1cc(ccc1OC)C=O 62a_100000173361_100000210303 [1,1,0,0,0,0|2,0,0]=4 1435 B14R1.759 CCCSc1cc(ccc1OC)C=O 62a_100000210303_100000173361 [1,1,0,0,0,0|2,0,0]=4 1436 B14R1.759 CCCSc1cc(ccc1OC)CC 62a_100000210303_100010062400 [1,1,0,0,0,0|1,0,0]=3 1437 B14R1.759 CCCSc1cc(ccc1OC)CC 62a_100010062400_100000210303 [1,1,0,0,0,0|1,0,0]=3 1438 B14R1.759 CCCSc1cc(ccc1OC)CN 62a_100000210303_100159240714 [1,1,0,0,0,0|2,0,0]=4 1439 B14R1.759 CCCSc1cc(ccc1OC)CN 62a_100159240714_100000210303 [1,1,0,0,0,0|2,0,0]=4 1440 B14R1.759 CCCSc1cc(ccc1OC)CO 62a_100000210303_100000246451 [1,1,0,0,0,0|2,0,0]=4 1441 B14R1.759 CCCSc1cc(ccc1OC)CO 62a_100000246451_100000210303 [1,1,0,0,0,0|2,0,0]=4 1442 B14R1.759 CCCSc1cc(ccc1OC)NC 62a_100000210303_114948341033 [1,1,0,0,0,0|1,0,0]=3 1443 B14R1.759 CCCSc1cc(ccc1OC)NC 62a_114948341033_100000210303 [1,1,0,0,0,0|1,0,0]=3 1444 B14R1.759 CCCSc1cc(ccc1OC)OC 62a_100000210303_100011215452 [1,1,0,0,0,0|0,0,0]=2 1445 B14R1.759 CCCSc1cc(ccc1OC)OC 62a_100011215452_100000210303 [1,1,0,0,0,0|0,0,0]=2 1446 B14R1.759 CCNCc1cc(ccc1OC)C#N 207a_100015525214_100012017408 [1,1,0,0,0,0|2,0,0]=4 1447 B14R1.759 CCNCc1cc(ccc1OC)C#N 270004a_100015525214_100012017408 [1,1,0,0,0,0|2,0,0]=4 1448 B14R1.759 CCNCc1cc(ccc1OC)C=O 2230a_100015525214_100000028394 [1,1,0,0,0,0|2,0,0]=4 1449 B14R1.759 CCNCc1cc(ccc1OC)CC 207a_100015525214_200000117280 [1,1,0,0,0,0|1,0,0]=3 1450 B14R1.759 CCNCc1cc(ccc1OC)CC 270004a_100015525214_200000117280 [1,1,0,0,0,0|1,0,0]=3 1451 B14R1.759 CCNCc1cc(ccc1OC)OC 207a_100015525214_100000170336 [1,1,0,0,0,0|0,0,0]=2 1452 B14R1.759 CCNCc1cc(ccc1OC)OC 270004a_100015525214_100000170336 [1,1,0,0,0,0|0,0,0]=2 1453 B14R1.759 CCNCc1cc(ccc1OC)OC 34a_100000185951_100000210202 [1,1,0,0,0,0|0,0,0]=2 1454 B14R1.759 CCNCc1cc(ccc1OC)SC 62a_100015182949_200000210301 [1,1,0,0,0,0|0,1,0]=3 1455 B14R1.759 CCNCc1cc(ccc1OC)SC 62a_200000210301_100015182949 [1,1,0,0,0,0|0,1,0]=3 1456 B14R1.759 CCNCc1cc(ccc1OC)S[13CH3] 62a_100015182949_200025704644 [1,1,0,0,0,0|0,1,0]=3 1457 B14R1.759 CCNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100015182949 [1,1,0,0,0,0|0,1,0]=3 1458 B14R1.759 CCOCc1cc(ccc1OC)C=O 34a_100121572206_100000028394 [1,1,0,0,0,0|2,0,0]=4 1459 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100000212306_100000210202 [1,1,0,0,0,0|0,0,0]=2 1460 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100121572206_100011233847 [1,1,0,0,0,0|0,0,0]=2 1461 B14R1.759 CCSCc1cc(ccc1OC)C=O 62a_100000028394_100000210202 [1,1,0,0,0,0|2,0,0]=4 1462 B14R1.759 CCSCc1cc(ccc1OC)C=O 62a_100000210202_100000028394 [1,1,0,0,0,0|2,0,0]=4 1463 B14R1.759 CCSCc1cc(ccc1OC)OC 62a_100000205131_100000210202 [1,1,0,0,0,0|0,0,0]=2 1464 B14R1.759 CCSCc1cc(ccc1OC)OC 62a_100000210202_100011233847 [1,1,0,0,0,0|0,0,0]=2 1465 B14R1.759 CCc1ccc(c(c1)NCCF)OC 2230a_100012035449_100011217306 [1,1,0,0,0,0|2,0,0]=4 1466 B14R1.759 CCc1ccc(c(c1)NCCF)OC 34a_100012035449_100011217306 [1,1,0,0,0,0|2,0,0]=4 1467 B14R1.759 CCc1ccc(c(c1)NCCO)OC 2230a_100012035449_100000211926 [1,1,0,0,0,0|2,0,0]=4 1468 B14R1.759 CCc1ccc(c(c1)NCCO)OC 34a_100012035449_100000211926 [1,1,0,0,0,0|2,0,0]=4 1469 B14R1.759 CCc1ccc(c(c1)NCOC)OC 2230a_100012035449_100000766300 [1,1,0,0,0,0|2,0,0]=4 1470 B14R1.759 CCc1ccc(c(c1)NCSC)OC 2230a_100012035449_100011218213 [1,1,0,0,0,0|2,0,0]=4 1471 B14R1.759 CCc1ccc(c(c1)NCSC)OC 34a_100012035449_100011218213 [1,1,0,0,0,0|2,0,0]=4 1472 B14R1.759 CCc1ccc(c(c1)OCCF)OC 34a_100009844796_100011217306 [1,1,0,0,0,0|2,0,0]=4 1473 B14R1.759 CCc1ccc(c(c1)OCCF)OC 7a_100009844796_100011217306 [1,1,0,0,0,0|2,0,0]=4 1474 B14R1.759 CCc1ccc(c(c1)OCCO)OC 34a_100009844796_100000211926 [1,1,0,0,0,0|2,0,0]=4 1475 B14R1.759 CCc1ccc(c(c1)OCCO)OC 7a_100009844796_100000211926 [1,1,0,0,0,0|2,0,0]=4 1476 B14R1.759 CCc1ccc(c(c1)OCSC)OC 34a_100009844796_100011218213 [1,1,0,0,0,0|2,0,0]=4 1477 B14R1.759 CCc1ccc(c(c1)SCCF)OC 62a_100010062400_100011217306 [1,1,0,0,0,0|2,0,0]=4 1478 B14R1.759 CCc1ccc(c(c1)SCCF)OC 62a_100011217306_100010062400 [1,1,0,0,0,0|2,0,0]=4 1479 B14R1.759 CCc1ccc(c(c1)SCCO)OC 62a_100000211926_100010062400 [1,1,0,0,0,0|2,0,0]=4 1480 B14R1.759 CCc1ccc(c(c1)SCCO)OC 62a_100010062400_100000211926 [1,1,0,0,0,0|2,0,0]=4 1481 B14R1.759 CCc1ccc(c(c1)SCOC)OC 62a_100000766300_100010062400 [1,1,0,0,0,0|2,0,0]=4 1482 B14R1.759 CCc1ccc(c(c1)SCOC)OC 62a_100010062400_100000766300 [1,1,0,0,0,0|2,0,0]=4 1483 B14R1.759 CCc1ccc(c(c1)SCSC)OC 62a_100010062400_100011218213 [1,1,0,0,0,0|2,0,0]=4 1484 B14R1.759 CCc1ccc(c(c1)SCSC)OC 62a_100011218213_100010062400 [1,1,0,0,0,0|2,0,0]=4 1485 B14R1.759 CNc1ccc(c(c1)SCCF)OC 62a_100011217306_114948341033 [1,1,0,0,0,0|2,0,0]=4 1486 B14R1.759 CNc1ccc(c(c1)SCCF)OC 62a_114948341033_100011217306 [1,1,0,0,0,0|2,0,0]=4 1487 B14R1.759 CNc1ccc(c(c1)SCCO)OC 62a_100000211926_114948341033 [1,1,0,0,0,0|2,0,0]=4 1488 B14R1.759 CNc1ccc(c(c1)SCCO)OC 62a_114948341033_100000211926 [1,1,0,0,0,0|2,0,0]=4 1489 B14R1.759 CNc1ccc(c(c1)SCOC)OC 62a_100000766300_114948341033 [1,1,0,0,0,0|2,0,0]=4 1490 B14R1.759 CNc1ccc(c(c1)SCOC)OC 62a_114948341033_100000766300 [1,1,0,0,0,0|2,0,0]=4 1491 B14R1.759 CNc1ccc(c(c1)SCSC)OC 62a_100011218213_114948341033 [1,1,0,0,0,0|2,0,0]=4 1492 B14R1.759 CNc1ccc(c(c1)SCSC)OC 62a_114948341033_100011218213 [1,1,0,0,0,0|2,0,0]=4 1493 B14R1.759 COCNc1cc(ccc1OC)OC 2230a_100000184736_100000766300 [1,1,0,0,0,0|1,0,0]=3 1494 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100000766300_100011215452 [1,1,0,0,0,0|1,0,0]=3 1495 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100011215452_100000766300 [1,1,0,0,0,0|1,0,0]=3 1496 B14R1.759 COc1ccc(c(c1)CNCF)OC 34a_100000185951_100015361967 [1,1,0,0,0,0|1,0,0]=3 1497 B14R1.759 COc1ccc(c(c1)COCF)OC 34a_100000212306_100015361967 [1,1,0,0,0,0|1,0,0]=3 1498 B14R1.759 COc1ccc(c(c1)CSCF)OC 62a_100000205131_100015361967 [1,1,0,0,0,0|1,0,0]=3 1499 B14R1.759 COc1ccc(c(c1)CSCF)OC 62a_100015361967_100011233847 [1,1,0,0,0,0|1,0,0]=3 1500 B14R1.759 COc1ccc(c(c1)NCC#N)OC 2230a_100000184736_100011215382 [1,1,0,0,0,0|0,0,2]=4 1501 B14R1.759 COc1ccc(c(c1)NCC=O)OC 2230a_100000184736_200015260668 [1,1,0,0,0,0|1,0,1]=4 1502 B14R1.759 COc1ccc(c(c1)NCC=O)OC 34a_100000184736_200009817547 [1,1,0,0,0,0|1,0,1]=4 1503 B14R1.759 COc1ccc(c(c1)NCCF)OC 2230a_100000184736_100011217306 [1,1,0,0,0,0|1,0,0]=3 1504 B14R1.759 COc1ccc(c(c1)NCCF)OC 34a_100000184736_100011217306 [1,1,0,0,0,0|1,0,0]=3 1505 B14R1.759 COc1ccc(c(c1)NCCO)OC 2230a_100000184736_100000211926 [1,1,0,0,0,0|1,0,0]=3 1506 B14R1.759 COc1ccc(c(c1)NCCO)OC 34a_100000184736_100000211926 [1,1,0,0,0,0|1,0,0]=3 1507 B14R1.759 COc1ccc(c(c1)NCSC)OC 2230a_100000184736_100011218213 [1,1,0,0,0,0|1,0,0]=3 1508 B14R1.759 COc1ccc(c(c1)NCSC)OC 34a_100000184736_100011218213 [1,1,0,0,0,0|1,0,0]=3 1509 B14R1.759 COc1ccc(c(c1)OCC=O)OC 34a_100000074795_200009817547 [1,1,0,0,0,0|1,0,1]=4 1510 B14R1.759 COc1ccc(c(c1)OCCF)OC 34a_100000074795_100011217306 [1,1,0,0,0,0|1,0,0]=3 1511 B14R1.759 COc1ccc(c(c1)OCCO)OC 34a_100000074795_100000211926 [1,1,0,0,0,0|1,0,0]=3 1512 B14R1.759 COc1ccc(c(c1)OCSC)OC 34a_100000074795_100011218213 [1,1,0,0,0,0|1,0,0]=3 1513 B14R1.759 COc1ccc(c(c1)SCC#N)OC 62a_100011215382_100011215452 [1,1,0,0,0,0|0,0,2]=4 1514 B14R1.759 COc1ccc(c(c1)SCC#N)OC 62a_100011215452_100011215382 [1,1,0,0,0,0|0,0,2]=4 1515 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_100011215452_200015260668 [1,1,0,0,0,0|1,0,1]=4 1516 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_200015260668_100011215452 [1,1,0,0,0,0|1,0,1]=4 1517 B14R1.759 COc1ccc(c(c1)SCCF)OC 62a_100011215452_100011217306 [1,1,0,0,0,0|1,0,0]=3 1518 B14R1.759 COc1ccc(c(c1)SCCF)OC 62a_100011217306_100011215452 [1,1,0,0,0,0|1,0,0]=3 1519 B14R1.759 COc1ccc(c(c1)SCCO)OC 62a_100000211926_100011215452 [1,1,0,0,0,0|1,0,0]=3 1520 B14R1.759 COc1ccc(c(c1)SCCO)OC 62a_100011215452_100000211926 [1,1,0,0,0,0|1,0,0]=3 1521 B14R1.759 COc1ccc(c(c1)SCSC)OC 62a_100011215452_100011218213 [1,1,0,0,0,0|1,0,0]=3 1522 B14R1.759 COc1ccc(c(c1)SCSC)OC 62a_100011218213_100011215452 [1,1,0,0,0,0|1,0,0]=3 1523 B14R1.2315 CCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000210202 [1,1,0,0,0,0|0,0,1]=3 1524 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000210202 [1,1,0,0,0,0|1,0,0]=3 1525 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000204670 [1,1,0,0,0,0|1,0,0]=3 1526 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 34a_100000221073_100000210202 [1,1,0,0,0,0|1,0,0]=3 1527 B14R1.2315 CCc1ccc(c(c1)C(C)NC)OC 269862a_106832991636_200000080740 [1,1,0,0,0,0|2,0,0]=4 1528 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 11a_106832991635_100000185243 [1,1,0,0,0,0|1,0,1]=4 1529 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 1626a_100102657272_100000185243 [1,1,0,0,0,0|1,0,1]=4 1530 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 240690a_100102657272_100000185243 [1,1,0,0,0,0|1,0,1]=4 1531 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 527a_100102657272_100000185243 [1,1,0,0,0,0|1,0,1]=4 1532 B14R1.2315 CNC(C)c1cc(ccc1OC)OC 2230a_100000203798_200000210301 [1,1,0,0,0,0|1,0,0]=3 1533 B14R1.2315 CNC(C)c1cc(ccc1OC)OC 269862a_106832991636_100000211297 [1,1,0,0,0,0|1,0,0]=3 1534 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 34a_100000151008_200000210301 [1,1,0,0,0,0|1,0,1]=4 1535 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 7a_100000151008_200000210301 [1,1,0,0,0,0|1,0,1]=4 1536 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 34a_100000151008_200025704644 [1,1,0,0,0,0|1,0,1]=4 1537 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 7a_100000151008_200025704644 [1,1,0,0,0,0|1,0,1]=4 1538 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)OC 7a_100010402061_200000210301 [1,1,0,0,0,0|1,0,1]=4 1539 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)O[13CH3] 7a_100010402061_200025704644 [1,1,0,0,0,0|1,0,1]=4 1540 B14R1.2315 COc1ccc(c(c1)C(=O)CF)OC 1458a_100000185243_100015361967 [1,1,0,0,0,0|1,0,1]=4 1541 B14R1.2315 COc1ccc(c(c1)C(C)N[13CH3])OC 2230a_100000203798_200025704644 [1,1,0,0,0,0|1,0,0]=3 1542 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 34a_100000246477_200000210301 [1,1,0,0,0,0|1,0,0]=3 1543 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 7a_100000246477_200000210301 [1,1,0,0,0,0|1,0,0]=3 1544 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 34a_100000246477_200025704644 [1,1,0,0,0,0|1,0,0]=3 1545 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 7a_100000246477_200025704644 [1,1,0,0,0,0|1,0,0]=3 1546 B14R1.2315 COc1ccc(c(c1)N(C)CF)OC 269982a_100000221073_100015361967 [1,1,0,0,0,0|2,0,0]=4 1547 B14R1.2315 COc1ccc(c(c1)N(C)CF)OC 34a_100000221073_100015361967 [1,1,0,0,0,0|2,0,0]=4 1548 B14R1.5121 C=C(C)c1ccc(cc1CCO)OC 271570a_100000694244_100012259501 [1,1,0,0,0,0|2,0,0]=4 1549 B14R1.5121 CCNc1cc(ccc1C(C)C)OC 2230a_100009963057_100000210202 [1,1,0,0,0,0|2,0,0]=4 1550 B14R1.5121 CCNc1cc(ccc1C(C)C)OC 34a_100009963057_100000210202 [1,1,0,0,0,0|2,0,0]=4 1551 B14R1.5121 CCNc1cc(ccc1C(C)C)OC 7a_100009963057_100000210202 [1,1,0,0,0,0|2,0,0]=4 1552 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC 34a_100000185565_100000210202 [1,1,0,0,0,0|2,0,0]=4 1553 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC 7a_100000185565_100000210202 [1,1,0,0,0,0|2,0,0]=4 1554 B14R1.5121 CCSc1cc(ccc1C(=O)C)OC 62a_100000697255_100000210202 [1,1,0,0,0,0|2,0,0]=4 1555 B14R1.5121 CCSc1cc(ccc1C(C)O)OC 62a_100000210202_100000697252 [1,1,0,0,0,0|2,0,0]=4 1556 B14R1.5121 CCSc1cc(ccc1C(C)O)OC 62a_100000697252_100000210202 [1,1,0,0,0,0|2,0,0]=4 1557 B14R1.5236 C=CCc1cc(ccc1OCC)OC 7a_200000185190_100000210202 [1,1,0,0,0,0|0,0,2]=4 1558 B14R1.5236 C=CCc1cc(ccc1OCF)OC 7a_200000185190_100015361967 [1,1,0,0,0,0|0,0,2]=4 1559 B14R1.5236 CC=Cc1ccc(cc1CCO)OC 271570a_100016259895_100012259501 [1,1,0,0,0,0|2,0,0]=4 1560 B14R1.5236 CCOc1cc(ccc1CNC)OC 207a_100102657272_200011245099 [1,1,0,0,0,0|2,0,0]=4 1561 B14R1.5236 CCOc1cc(ccc1CNC)OC 270004a_106832991635_200011245099 [1,1,0,0,0,0|2,0,0]=4 1562 B14R1.5236 CCOc1ccc(cc1CNC)SC 62a_100015187135_200000210301 [1,1,0,0,0,0|1,1,0]=4 1563 B14R1.5236 CCOc1ccc(cc1CNC)SC 62a_200000210301_100015187135 [1,1,0,0,0,0|1,1,0]=4 1564 B14R1.5236 CCOc1ccc(cc1CNC)S[13CH3] 62a_100015187135_200025704644 [1,1,0,0,0,0|1,1,0]=4 1565 B14R1.5236 CCOc1ccc(cc1CNC)S[13CH3] 62a_200025704644_100015187135 [1,1,0,0,0,0|1,1,0]=4 1566 B14R1.5236 CCOc1ccc(cc1OCC)NC 2230a_100000682499_200000210301 [1,1,0,0,0,0|2,0,0]=4 1567 B14R1.5236 CCOc1ccc(cc1OCC)NC 34a_100000682499_200000210301 [1,1,0,0,0,0|2,0,0]=4 1568 B14R1.5236 CCOc1ccc(cc1OCC)N[13CH3] 2230a_100000682499_200025704644 [1,1,0,0,0,0|2,0,0]=4 1569 B14R1.5236 CCOc1ccc(cc1OCC)N[13CH3] 34a_100000682499_200025704644 [1,1,0,0,0,0|2,0,0]=4 1570 B14R1.5236 CCSc1ccc(cc1CCO)OC 62a_100000210202_100012259501 [1,1,0,0,0,0|1,1,0]=4 1571 B14R1.5236 CCSc1ccc(cc1CCO)OC 62a_100012259501_100000210202 [1,1,0,0,0,0|1,1,0]=4 1572 B14R1.5236 COc1ccc(c(c1)CCO)SCF 62a_100012259501_100015361967 [1,1,0,0,0,0|1,1,0]=4 1573 B14R1.5236 COc1ccc(c(c1)CCO)SCF 62a_100015361967_100012259501 [1,1,0,0,0,0|1,1,0]=4 1574 B14R1.5317 CC=Cc1cc(cc(c1OC)N)OC 271570a_100016259895_100010294495 [1,1,0,0,0,0|0,0,2]=4 1575 B14R1.5317 CC=Cc1cc(cc(c1OC)O)OC 271570a_100016259895_200020900881 [1,1,0,0,0,0|0,0,2]=4 1576 B14R1.5317 CCNc1cc(cc(c1OC)Br)OC 34a_100010294495_100000210202 [1,1,0,0,0,0|1,0,0]=3 1577 B14R1.5317 CCOc1cc(cc(c1OC)Br)OC 34a_200020900881_100000210202 [1,1,0,0,0,0|1,0,0]=3 1578 B14R1.5317 CCSc1cc(cc(c1OC)N)OC 62a_100000210202_100010294495 [1,1,0,0,0,0|1,0,0]=3 1579 B14R1.5317 CCSc1cc(cc(c1OC)N)OC 62a_100010294495_100000210202 [1,1,0,0,0,0|1,0,0]=3 1580 B14R1.5317 CCSc1cc(cc(c1OC)O)OC 62a_100000210202_200020900881 [1,1,0,0,0,0|1,0,0]=3 1581 B14R1.5317 CNCc1cc(cc(c1OC)Br)OC 26a_100102657272_200020900881 [1,1,0,0,0,0|1,0,0]=3 1582 B14R1.5317 COc1cc(c(c(c1)NCF)OC)Br 34a_100010294495_100015361967 [1,1,0,0,0,0|2,0,0]=4 1583 B14R1.5317 COc1cc(c(c(c1)OCF)OC)Br 34a_200020900881_100015361967 [1,1,0,0,0,0|2,0,0]=4 1584 B14R1.5317 COc1cc(c(c(c1)SCF)OC)N 62a_100010294495_100015361967 [1,1,0,0,0,0|2,0,0]=4 1585 B14R1.5317 COc1cc(c(c(c1)SCF)OC)N 62a_100015361967_100010294495 [1,1,0,0,0,0|2,0,0]=4 1586 B14R1.5317 COc1cc(c(c(c1)SCF)OC)O 62a_100015361967_200020900881 [1,1,0,0,0,0|2,0,0]=4 1587 B14R1.6787 C=C=Cc1ccc(c(c1)CCN)OC 271570a_100015277604_100000763266 [1,1,0,0,0,0|1,0,1]=4 1588 B14R1.6787 C=CCc1cc(ccc1OC)OCC 7a_100000184798_200000210301 [1,1,0,0,0,0|0,0,2]=4 1589 B14R1.6787 C=CCc1cc(ccc1O[13CH3])OCC 7a_100000184798_200025704644 [1,1,0,0,0,0|0,0,2]=4 1590 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [1,1,0,0,0,0|1,0,0]=3 1591 B14R1.6787 CC=Cc1ccc(c(c1)CNC)OC 271570a_100016259895_100000690607 [1,1,0,0,0,0|2,0,0]=4 1592 B14R1.6787 CC=Cc1ccc(c(c1)COC)OC 271570a_100016259895_200011493686 [1,1,0,0,0,0|2,0,0]=4 1593 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [1,1,0,0,0,0|2,0,0]=4 1594 B14R1.6787 CCOc1cc(ccc1OC)CCN 34a_100011207234_100000210202 [1,1,0,0,0,0|2,0,0]=4 1595 B14R1.6787 CCOc1cc(ccc1OC)CNC 207a_100102657272_100000170514 [1,1,0,0,0,0|2,0,0]=4 1596 B14R1.6787 CCOc1cc(ccc1OC)CNC 2230a_100000755831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1597 B14R1.6787 CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170514 [1,1,0,0,0,0|2,0,0]=4 1598 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000188468_100000210202 [1,1,0,0,0,0|2,0,0]=4 1599 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000755831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1600 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 2230a_100000755831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1601 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 34a_100000755831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1602 B14R1.6787 CCSc1cc(ccc1OC)CCN 62a_100000210202_103549771065 [1,1,0,0,0,0|2,0,0]=4 1603 B14R1.6787 CCSc1cc(ccc1OC)CCN 62a_103549771065_100000210202 [1,1,0,0,0,0|2,0,0]=4 1604 B14R1.6787 CCSc1cc(ccc1OC)CCO 62a_100000210202_100011962876 [1,1,0,0,0,0|2,0,0]=4 1605 B14R1.6787 CCSc1cc(ccc1OC)CCO 62a_100011962876_100000210202 [1,1,0,0,0,0|2,0,0]=4 1606 B14R1.6787 CCSc1ccc(c(c1)CCN)OC 62a_100000210202_100000763266 [1,1,0,0,0,0|0,1,0]=3 1607 B14R1.6787 CCSc1ccc(c(c1)CCN)OC 62a_100000763266_100000210202 [1,1,0,0,0,0|0,1,0]=3 1608 B14R1.6787 CCSc1ccc(c(c1)CNC)OC 62a_100000210202_100000690607 [1,1,0,0,0,0|1,1,0]=4 1609 B14R1.6787 CCSc1ccc(c(c1)CNC)OC 62a_100000690607_100000210202 [1,1,0,0,0,0|1,1,0]=4 1610 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_100000210202_200011493686 [1,1,0,0,0,0|1,1,0]=4 1611 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210202 [1,1,0,0,0,0|1,1,0]=4 1612 B14R1.6787 CNCc1cc(ccc1OC)SCF 62a_100000690607_100015361967 [1,1,0,0,0,0|1,1,0]=4 1613 B14R1.6787 CNCc1cc(ccc1OC)SCF 62a_100015361967_100000690607 [1,1,0,0,0,0|1,1,0]=4 1614 B14R1.6787 CNCc1ccc(c(c1)COC)OC 207a_100102657272_100000708483 [1,1,0,0,0,0|2,0,0]=4 1615 B14R1.6787 CNCc1ccc(c(c1)COC)OC 270004a_106832991635_100000708483 [1,1,0,0,0,0|2,0,0]=4 1616 B14R1.6787 COCc1cc(ccc1OC)SCF 62a_100015361967_200011493686 [1,1,0,0,0,0|1,1,0]=4 1617 B14R1.6787 COCc1cc(ccc1OC)SCF 62a_200011493686_100015361967 [1,1,0,0,0,0|1,1,0]=4 1618 B14R1.6787 COc1ccc(cc1CCN)SCF 62a_100000763266_100015361967 [1,1,0,0,0,0|0,1,0]=3 1619 B14R1.6787 COc1ccc(cc1CCN)SCF 62a_100015361967_100000763266 [1,1,0,0,0,0|0,1,0]=3 1620 B14R1.9401 CC=Cc1c(ccc(c1F)OC)OC 271570a_100016259895_200016180952 [1,1,0,0,0,0|0,0,2]=4 1621 B14R1.9401 CCSc1c(ccc(c1F)OC)OC 62a_100000210202_200016180952 [1,1,0,0,0,0|1,0,0]=3 1622 B14R1.9401 CCSc1c(ccc(c1F)OC)OC 62a_200016180952_100000210202 [1,1,0,0,0,0|1,0,0]=3 1623 B14R1.9401 COc1ccc(c(c1F)SCF)OC 62a_100015361967_200016180952 [1,1,0,0,0,0|2,0,0]=4 1624 B14R1.9401 COc1ccc(c(c1F)SCF)OC 62a_200016180952_100015361967 [1,1,0,0,0,0|2,0,0]=4 1625 B14R1.15069 CC=Cc1cc(c(cc1OC)Br)OC 271570a_100016259895_100013799044 [1,1,0,0,0,0|0,0,2]=4 1626 B14R1.15069 CC=Cc1cc(c(cc1OC)C)OC 271570a_100016259895_100000039368 [1,1,0,0,0,0|0,0,2]=4 1627 B14R1.15069 CC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016259895_100000023288 [1,1,0,0,0,0|0,0,2]=4 1628 B14R1.15069 CC=Cc1cc(c(cc1OC)O)OC 271570a_100016259895_100009816818 [1,1,0,0,0,0|0,0,2]=4 1629 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210202 [1,1,0,0,0,0|1,0,0]=3 1630 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210202 [1,1,0,0,0,0|1,0,0]=3 1631 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210202 [1,1,0,0,0,0|1,0,0]=3 1632 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210202 [1,1,0,0,0,0|1,0,0]=3 1633 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210202 [1,1,0,0,0,0|2,0,0]=4 1634 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210202 [1,1,0,0,0,0|2,0,0]=4 1635 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100000210202_100013799044 [1,1,0,0,0,0|1,0,0]=3 1636 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210202 [1,1,0,0,0,0|1,0,0]=3 1637 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210202 [1,1,0,0,0,0|1,0,0]=3 1638 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000210202_100000039368 [1,1,0,0,0,0|1,0,0]=3 1639 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210202 [1,1,0,0,0,0|1,0,0]=3 1640 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000210202_100000023288 [1,1,0,0,0,0|1,0,0]=3 1641 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 207a_100102657272_100000188581 [1,1,0,0,0,0|1,0,0]=3 1642 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 26a_100102657272_100009816818 [1,1,0,0,0,0|1,0,0]=3 1643 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 270004a_106832991635_100000188581 [1,1,0,0,0,0|1,0,0]=3 1644 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 207a_100102657272_100000079178 [1,1,0,0,0,0|1,0,0]=3 1645 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 270004a_106832991635_100000079178 [1,1,0,0,0,0|1,0,0]=3 1646 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 207a_100102657272_100010168916 [1,1,0,0,0,0|1,0,0]=3 1647 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 270004a_106832991635_100010168916 [1,1,0,0,0,0|1,0,0]=3 1648 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 207a_100102657272_200010262236 [1,1,0,0,0,0|1,0,0]=3 1649 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 270004a_106832991635_200010262236 [1,1,0,0,0,0|1,0,0]=3 1650 B14R1.15069 COCc1cc(c(cc1OC)C)OC 34a_200010309539_200000210301 [1,1,0,0,0,0|1,0,0]=3 1651 B14R1.15069 COCc1cc(c(cc1OC)C)OC 7a_200010309539_200000210301 [1,1,0,0,0,0|1,0,0]=3 1652 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 34a_100009816818_100015361967 [1,1,0,0,0,0|2,0,0]=4 1653 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 7a_100009816818_100015361967 [1,1,0,0,0,0|2,0,0]=4 1654 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100013799044_100015361967 [1,1,0,0,0,0|2,0,0]=4 1655 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100015361967_100013799044 [1,1,0,0,0,0|2,0,0]=4 1656 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 34a_200010309539_200025704644 [1,1,0,0,0,0|1,0,0]=3 1657 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 7a_200010309539_200025704644 [1,1,0,0,0,0|1,0,0]=3 1658 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100000039368_100015361967 [1,1,0,0,0,0|2,0,0]=4 1659 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100015361967_100000039368 [1,1,0,0,0,0|2,0,0]=4 1660 B14R1.15069 COc1cc(c(cc1Cl)OC)NCF 34a_100000179761_100015361967 [1,1,0,0,0,0|2,0,0]=4 1661 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100000023288_100015361967 [1,1,0,0,0,0|2,0,0]=4 1662 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100015361967_100000023288 [1,1,0,0,0,0|2,0,0]=4 1663 B14R1.1866 COc1ccc(cc1NC(C)(C)C)C 34a_100000210980_100000210625 [1,1,0,0,0,0|2,0,0]=4 1664 B14R1.1866 COc1ccc(cc1OC(C)(C)C)C 34a_100011216497_100000210625 [1,1,0,0,0,0|2,0,0]=4 1665 B14R1.1866 COc1ccc(cc1SC(C)(C)C)C 62a_100000186399_100000211941 [1,1,0,0,0,0|2,0,0]=4 1666 B14R1.1866 COc1ccc(cc1SC(C)(C)C)C 62a_100000211941_100000186399 [1,1,0,0,0,0|2,0,0]=4 1667 B14R1.1866 COc1ccc(cc1SC(C)(C)C)O 62a_100000211941_100010234764 [1,1,0,0,0,0|2,0,0]=4 1668 B14R1.1866 COc1ccc(cc1SC(C)(C)C)O 62a_100010234764_100000211941 [1,1,0,0,0,0|2,0,0]=4 1669 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)C 1458a_100000204667_100000210206 [1,1,0,0,0,0|1,0,1]=4 1670 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)O 1458a_200000100057_100000210206 [1,1,0,0,0,0|1,0,1]=4 1671 B14R1.1867 COc1ccc(cc1C(O)C(Cl)Cl)C 7a_206835378202_200000210301 [1,1,0,0,0,0|2,0,0]=4 1672 B14R1.1867 Cc1ccc(c(c1)C(O)C(Cl)Cl)O[13CH3] 7a_206835378202_200025704644 [1,1,0,0,0,0|2,0,0]=4 1673 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Br 2230a_100010141321_100000210206 [1,1,0,0,0,0|2,0,0]=4 1674 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Br 34a_100010141321_100000210206 [1,1,0,0,0,0|2,0,0]=4 1675 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Cl 2230a_100000211396_100000210206 [1,1,0,0,0,0|2,0,0]=4 1676 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Cl 34a_100000211396_100000210206 [1,1,0,0,0,0|2,0,0]=4 1677 B14R1.2295 COc1cc(c(cc1SC(C)C)C)F 62a_100000210206_100010201977 [1,1,0,0,0,0|2,0,0]=4 1678 B14R1.2295 COc1cc(c(cc1SC(C)C)C)F 62a_100010201977_100000210206 [1,1,0,0,0,0|2,0,0]=4 1679 B14R1.2295 COc1cc(c(cc1SC(C)C)C)N 62a_100000210206_100010232211 [1,1,0,0,0,0|2,0,0]=4 1680 B14R1.2295 COc1cc(c(cc1SC(C)C)C)N 62a_100010232211_100000210206 [1,1,0,0,0,0|2,0,0]=4 1681 B14R1.3279 C#CC(C)Nc1cc(ccc1OC)C 34a_100000210980_200000035995 [1,1,0,0,0,0|2,0,0]=4 1682 B14R1.3279 C#CC(C)Oc1cc(ccc1OC)C 34a_100011216497_200000035995 [1,1,0,0,0,0|2,0,0]=4 1683 B14R1.3279 C#CC(C)Sc1cc(ccc1OC)C 62a_200000035995_100000186399 [1,1,0,0,0,0|2,0,0]=4 1684 B14R1.3279 C#CC(C)Sc1cc(ccc1OC)O 62a_200000035995_100010234764 [1,1,0,0,0,0|2,0,0]=4 1685 B14R1.3279 C=CC(C)Sc1cc(ccc1OC)C 62a_100011215867_100000186399 [1,1,0,0,0,0|2,0,0]=4 1686 B14R1.3279 C=CC(C)Sc1cc(ccc1OC)O 62a_100011215867_100010234764 [1,1,0,0,0,0|2,0,0]=4 1687 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)C 1458a_100000204598_100000210202 [1,1,0,0,0,0|1,0,1]=4 1688 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)C 1458a_100000210414_100000199068 [1,1,0,0,0,0|1,0,1]=4 1689 B14R1.3279 CCC(C)Nc1cc(ccc1OC)C 2230a_100000210980_100000758301 [1,1,0,0,0,0|2,0,0]=4 1690 B14R1.3279 CCC(C)Nc1cc(ccc1OC)C 34a_100000210980_100011215416 [1,1,0,0,0,0|2,0,0]=4 1691 B14R1.3279 CCC(C)Oc1cc(ccc1OC)C 34a_100011216497_100011215416 [1,1,0,0,0,0|2,0,0]=4 1692 B14R1.3279 CCC(C)Oc1cc(ccc1OC)C 7a_100011216497_100000758301 [1,1,0,0,0,0|2,0,0]=4 1693 B14R1.3279 CCC(C)Sc1cc(ccc1OC)C 62a_100000186399_100000758301 [1,1,0,0,0,0|2,0,0]=4 1694 B14R1.3279 CCC(C)Sc1cc(ccc1OC)C 62a_100000758301_100000186399 [1,1,0,0,0,0|2,0,0]=4 1695 B14R1.3279 CCC(C)Sc1cc(ccc1OC)O 62a_100000758301_100010234764 [1,1,0,0,0,0|2,0,0]=4 1696 B14R1.3279 CCC(C)Sc1cc(ccc1OC)O 62a_100010234764_100000758301 [1,1,0,0,0,0|2,0,0]=4 1697 B14R1.3279 CCN(C)Cc1cc(ccc1OC)C 2230a_100000225621_100000199068 [1,1,0,0,0,0|2,0,0]=4 1698 B14R1.3279 CCN(C)Cc1cc(ccc1OC)C 269982a_100000225621_100000199068 [1,1,0,0,0,0|2,0,0]=4 1699 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 11a_106832991635_100000204598 [1,1,0,0,0,0|1,0,1]=4 1700 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 1626a_100102657272_100000204598 [1,1,0,0,0,0|1,0,1]=4 1701 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 240690a_100102657272_100000204598 [1,1,0,0,0,0|1,0,1]=4 1702 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 527a_100102657272_100000204598 [1,1,0,0,0,0|1,0,1]=4 1703 B14R1.3279 CNC(C)Cc1cc(ccc1OC)Br 270004a_106832991635_200011493461 [1,1,0,0,0,0|1,0,0]=3 1704 B14R1.3279 CNC(C)Cc1cc(ccc1OC)F 270004a_106832991635_200000084593 [1,1,0,0,0,0|1,0,0]=3 1705 B14R1.3279 COC(=O)Cc1cc(ccc1OC)O 271570a_203496583355_100012362489 [1,1,0,0,0,0|1,0,1]=4 1706 B14R1.3279 COc1ccc(cc1CC(=O)CF)C 1458a_100000204598_100015361967 [1,1,0,0,0,0|1,0,1]=4 1707 B14R1.3279 COc1ccc(cc1CC(=O)CO)C 1458a_100000210174_100000199068 [1,1,0,0,0,0|1,0,1]=4 1708 B14R1.3279 COc1ccc(cc1NC(C)C#N)C 2230a_100000210980_100000184139 [1,1,0,0,0,0|1,0,1]=4 1709 B14R1.3279 COc1ccc(cc1NC(C)CO)C 2230a_100000210980_100012180447 [1,1,0,0,0,0|2,0,0]=4 1710 B14R1.3279 COc1ccc(cc1NC(C)CO)C 34a_100000210980_100012180447 [1,1,0,0,0,0|2,0,0]=4 1711 B14R1.3279 COc1ccc(cc1OC(C)C#N)C 7a_100011216497_100000703298 [1,1,0,0,0,0|1,0,1]=4 1712 B14R1.3279 COc1ccc(cc1OC(C)CO)C 34a_100011216497_100012180447 [1,1,0,0,0,0|2,0,0]=4 1713 B14R1.3279 COc1ccc(cc1OC(C)CO)C 7a_100011216497_100012180447 [1,1,0,0,0,0|2,0,0]=4 1714 B14R1.3279 COc1ccc(cc1SC(C)C#N)C 62a_100000186399_100000703298 [1,1,0,0,0,0|1,0,1]=4 1715 B14R1.3279 COc1ccc(cc1SC(C)C#N)C 62a_100000703298_100000186399 [1,1,0,0,0,0|1,0,1]=4 1716 B14R1.3279 COc1ccc(cc1SC(C)C#N)O 62a_100000703298_100010234764 [1,1,0,0,0,0|1,0,1]=4 1717 B14R1.3279 COc1ccc(cc1SC(C)C#N)O 62a_100010234764_100000703298 [1,1,0,0,0,0|1,0,1]=4 1718 B14R1.3279 COc1ccc(cc1SC(C)CO)C 62a_100012180447_100000186399 [1,1,0,0,0,0|2,0,0]=4 1719 B14R1.3279 COc1ccc(cc1SC(C)CO)O 62a_100012180447_100010234764 [1,1,0,0,0,0|2,0,0]=4 1720 B14R1.3279 COc1ccc(cc1SC(C)OC)C 62a_100000186399_100009879195 [1,1,0,0,0,0|2,0,0]=4 1721 B14R1.3279 COc1ccc(cc1SC(C)OC)C 62a_100009879195_100000186399 [1,1,0,0,0,0|2,0,0]=4 1722 B14R1.3279 COc1ccc(cc1SC(C)OC)O 62a_100009879195_100010234764 [1,1,0,0,0,0|2,0,0]=4 1723 B14R1.3279 COc1ccc(cc1SC(C)OC)O 62a_100010234764_100009879195 [1,1,0,0,0,0|2,0,0]=4 1724 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)C 62a_100000186399_100016084084 [1,1,0,0,0,0|2,0,0]=4 1725 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)C 62a_100016084084_100000186399 [1,1,0,0,0,0|2,0,0]=4 1726 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)O 62a_100010234764_100016084084 [1,1,0,0,0,0|2,0,0]=4 1727 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)O 62a_100016084084_100010234764 [1,1,0,0,0,0|2,0,0]=4 1728 B14R1.6721 CCOc1ccc(cc1NC(C)C)C 2230a_100011202655_100000210206 [1,1,0,0,0,0|2,0,0]=4 1729 B14R1.6721 CCOc1ccc(cc1NC(C)C)C 34a_100011202655_100000210206 [1,1,0,0,0,0|2,0,0]=4 1730 B14R1.6721 CCOc1ccc(cc1SC(C)C)C 62a_100000210206_200000230997 [1,1,0,0,0,0|2,0,0]=4 1731 B14R1.6721 CCOc1ccc(cc1SC(C)C)C 62a_200000230997_100000210206 [1,1,0,0,0,0|2,0,0]=4 1732 B14R1.12200 COc1c(cc(cc1CN(C)C)C)Br 270004a_100102631434_200010171662 [1,1,0,0,0,0|2,0,0]=4 1733 B14R1.12200 COc1c(cc(cc1CN(C)C)C)C 270004a_100102631434_100000050482 [1,1,0,0,0,0|2,0,0]=4 1734 B14R1.12200 COc1c(cc(cc1NC(C)C)C)F 34a_100009958095_100000210206 [1,1,0,0,0,0|2,0,0]=4 1735 B14R1.12200 COc1c(cc(cc1SC(C)C)C)F 62a_100000210206_200010713180 [1,1,0,0,0,0|2,0,0]=4 1736 B14R1.12200 COc1c(cc(cc1SC(C)C)C)F 62a_200010713180_100000210206 [1,1,0,0,0,0|2,0,0]=4 1737 B14R1.31 CC(C)c1ccc(c(c1)C(C)C)O[13CH3] 34a_100000066808_200025704644 [0,1,0,0,1,0|2,0,0]=4 1738 B14R1.31 CC(C)c1ccc(c(c1)C(C)C)O[13CH3] 7a_100000066808_200025704644 [0,1,0,0,1,0|2,0,0]=4 1739 B14R1.31 COc1ccc(cc1C(C)C)C(C)C 34a_100000066808_200000210301 [0,1,0,0,1,0|2,0,0]=4 1740 B14R1.31 COc1ccc(cc1C(C)C)C(C)C 7a_100000066808_200000210301 [0,1,0,0,1,0|2,0,0]=4 1741 B14R1.104 C=C(C)c1ccc(cc1[C@H](C)N)OC 271570a_100000694244_200015425320 [0,1,0,0,1,0|1,0,0]=3 1742 B14R1.564 C=C(C)c1cc(cc(c1OC)N)OC 271570a_100000694244_100010294495 [0,1,0,0,1,0|1,0,1]=4 1743 B14R1.564 C=C(C)c1cc(cc(c1OC)O)OC 271570a_100000694244_200020900881 [0,1,0,0,1,0|1,0,1]=4 1744 B14R1.2288 C=C(C)c1cc(c(cc1OC)Br)OC 271570a_100000694244_100013799044 [0,1,0,0,1,0|1,0,1]=4 1745 B14R1.2288 C=C(C)c1cc(c(cc1OC)C)OC 271570a_100000694244_100000039368 [0,1,0,0,1,0|1,0,1]=4 1746 B14R1.2288 C=C(C)c1cc(c(cc1OC)Cl)OC 271570a_100000694244_100000023288 [0,1,0,0,1,0|1,0,1]=4 1747 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)OC 271570a_100000694244_100009816818 [0,1,0,0,1,0|1,0,1]=4 1748 B14R1.2288 COc1cc(c(cc1O)OC)C(=O)C 271570a_203496583355_100012352748 [0,1,0,0,1,0|1,0,1]=4 1749 B14R1.2343 C=C(C)c1c(ccc(c1F)OC)OC 271570a_100000694244_200016180952 [0,1,0,0,1,0|1,0,1]=4 1750 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)OC 34a_100000211512_200000210301 [0,1,0,0,1,0|2,0,0]=4 1751 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)OC 7a_100000211512_200000210301 [0,1,0,0,1,0|2,0,0]=4 1752 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211512_200025704644 [0,1,0,0,1,0|2,0,0]=4 1753 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211512_200025704644 [0,1,0,0,1,0|2,0,0]=4 1754 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 34a_100000074442_200000210301 [0,1,0,0,1,0|1,0,0]=3 1755 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 34a_100000211501_200000210301 [0,1,0,0,1,0|1,0,0]=3 1756 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 7a_100000074442_200000210301 [0,1,0,0,1,0|1,0,0]=3 1757 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 7a_100000211501_200000210301 [0,1,0,0,1,0|1,0,0]=3 1758 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211501_200025704644 [0,1,0,0,1,0|1,0,0]=3 1759 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211501_200025704644 [0,1,0,0,1,0|1,0,0]=3 1760 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 34a_100000094057_200000210301 [0,1,0,0,1,0|2,0,0]=4 1761 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 34a_100009851142_200000210301 [0,1,0,0,1,0|2,0,0]=4 1762 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 7a_100000094057_200000210301 [0,1,0,0,1,0|2,0,0]=4 1763 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 7a_100009851142_200000210301 [0,1,0,0,1,0|2,0,0]=4 1764 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)O[13CH3] 34a_100009851142_200025704644 [0,1,0,0,1,0|2,0,0]=4 1765 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)O[13CH3] 7a_100009851142_200025704644 [0,1,0,0,1,0|2,0,0]=4 1766 B14R1.3720 COc1ccc(cc1C(C)(C)C)O[13CH3] 34a_100000074442_200025704644 [0,1,0,0,1,0|1,0,0]=3 1767 B14R1.3720 COc1ccc(cc1C(C)(C)C)O[13CH3] 7a_100000074442_200025704644 [0,1,0,0,1,0|1,0,0]=3 1768 B14R1.3720 COc1ccc(cc1C(F)(F)F)O[13CH3] 34a_100000094057_200025704644 [0,1,0,0,1,0|2,0,0]=4 1769 B14R1.3720 COc1ccc(cc1C(F)(F)F)O[13CH3] 7a_100000094057_200025704644 [0,1,0,0,1,0|2,0,0]=4 1770 B14R1.5237 C=C=Cc1ccc(cc1[C@H](C)N)OC 271570a_100015277604_200015425320 [0,1,0,0,1,0|1,0,1]=4 1771 B14R1.5237 CC=Cc1ccc(cc1[C@H](C)N)OC 271570a_100016259895_200015425320 [0,1,0,0,1,0|1,0,0]=3 1772 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC 34a_100000211518_100000210202 [0,1,0,0,1,0|1,0,1]=4 1773 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC 7a_100000211518_100000210202 [0,1,0,0,1,0|1,0,1]=4 1774 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 34a_100011998526_100000210202 [0,1,0,0,1,0|1,0,0]=3 1775 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 7a_100011998526_100000210202 [0,1,0,0,1,0|1,0,0]=3 1776 B14R1.5237 CCSc1ccc(cc1[C@H](C)N)OC 62a_100000210202_200015425320 [0,1,0,0,1,0|0,1,0]=3 1777 B14R1.5237 CCSc1ccc(cc1[C@H](C)N)OC 62a_200015425320_100000210202 [0,1,0,0,1,0|0,1,0]=3 1778 B14R1.5237 CNCc1ccc(cc1C(C)C)OC 26a_100102657272_100011998526 [0,1,0,0,1,0|2,0,0]=4 1779 B14R1.5237 COc1ccc(c(c1)C(=O)C)OCF 34a_100000211518_100015361967 [0,1,0,0,1,0|1,0,1]=4 1780 B14R1.5237 COc1ccc(c(c1)C(=O)C)OCF 7a_100000211518_100015361967 [0,1,0,0,1,0|1,0,1]=4 1781 B14R1.5237 COc1ccc(c(c1)C(C)C)OCF 34a_100011998526_100015361967 [0,1,0,0,1,0|1,0,0]=3 1782 B14R1.5237 COc1ccc(c(c1)C(C)C)OCF 7a_100011998526_100015361967 [0,1,0,0,1,0|1,0,0]=3 1783 B14R1.5237 COc1ccc(c(c1)[C@H](C)N)SCF 62a_100015361967_200015425320 [0,1,0,0,1,0|0,1,0]=3 1784 B14R1.5237 COc1ccc(c(c1)[C@H](C)N)SCF 62a_200015425320_100015361967 [0,1,0,0,1,0|0,1,0]=3 1785 B14R1.6794 CCNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_100000210202 [0,1,0,0,1,0|2,0,0]=4 1786 B14R1.6794 CCNc1ccc(c(c1)C(C)C)OC 34a_100025764739_100000210202 [0,1,0,0,1,0|2,0,0]=4 1787 B14R1.6794 CCOc1ccc(c(c1)C(=O)C)OC 34a_100000081070_100000210202 [0,1,0,0,1,0|1,0,1]=4 1788 B14R1.6794 CCOc1ccc(c(c1)C(=O)C)OC 7a_100000081070_100000210202 [0,1,0,0,1,0|1,0,1]=4 1789 B14R1.6794 CNCc1ccc(c(c1)C(C)C)OC 207a_100102657272_100000083594 [0,1,0,0,1,0|2,0,0]=4 1790 B14R1.6794 CNCc1ccc(c(c1)C(C)C)OC 270004a_106832991635_100000083594 [0,1,0,0,1,0|2,0,0]=4 1791 B14R1.6794 COc1ccc(cc1C(=O)C)OCF 34a_100000081070_100015361967 [0,1,0,0,1,0|1,0,1]=4 1792 B14R1.6794 COc1ccc(cc1C(=O)C)OCF 7a_100000081070_100015361967 [0,1,0,0,1,0|1,0,1]=4 1793 B14R1.6794 COc1ccc(cc1C(C)C)NCF 34a_100025764739_100015361967 [0,1,0,0,1,0|2,0,0]=4 1794 B16R1.801 C=C(C)CNc1cc(cc(c1OC)Br)OC 34a_100010294495_100000748629 [0,1,0,0,0,1|1,0,1]=4 1795 B16R1.801 C=C(C)COc1cc(cc(c1OC)Br)OC 34a_200020900881_100000748629 [0,1,0,0,0,1|1,0,1]=4 1796 B16R1.801 C=C(C)CSc1cc(cc(c1OC)N)OC 62a_100000748629_100010294495 [0,1,0,0,0,1|1,0,1]=4 1797 B16R1.801 C=C(C)CSc1cc(cc(c1OC)N)OC 62a_100010294495_100000211660 [0,1,0,0,0,1|1,0,1]=4 1798 B16R1.801 C=C(C)CSc1cc(cc(c1OC)O)OC 62a_100000748629_200020900881 [0,1,0,0,0,1|1,0,1]=4 1799 B16R1.801 COc1cc(c(c(c1)C=CC(C)C)OC)N 271570a_100016257149_100010294495 [0,1,0,0,0,1|1,0,1]=4 1800 B16R1.801 COc1cc(c(c(c1)C=CC(C)C)OC)O 271570a_100016257149_200020900881 [0,1,0,0,0,1|1,0,1]=4 1801 B16R1.801 COc1cc(c(c(c1)C=CC(C)O)OC)N 271570a_200011019289_100010294495 [0,1,0,0,0,1|1,0,1]=4 1802 B16R1.801 COc1cc(c(c(c1)C=CC(C)O)OC)O 271570a_200011019289_200020900881 [0,1,0,0,0,1|1,0,1]=4 1803 B16R1.801 COc1cc(c(c(c1)NCC(=O)N)OC)Br 34a_100010294495_100000187820 [0,1,0,0,0,1|1,0,1]=4 1804 B16R1.801 COc1cc(c(c(c1)NCC(C)C)OC)Br 34a_100010294495_100000210624 [0,1,0,0,0,1|1,0,0]=3 1805 B16R1.801 COc1cc(c(c(c1)NCC(C)O)OC)Br 34a_100010294495_100011218427 [0,1,0,0,0,1|1,0,0]=3 1806 B16R1.801 COc1cc(c(c(c1)NCC(F)F)OC)Br 34a_100010294495_100011934356 [0,1,0,0,0,1|2,0,0]=4 1807 B16R1.801 COc1cc(c(c(c1)NC[C@@H](C)O)OC)Br 34a_100010294495_100009817552 [0,1,0,0,0,1|1,0,0]=3 1808 B16R1.801 COc1cc(c(c(c1)OCC(=O)N)OC)Br 34a_200020900881_100000187820 [0,1,0,0,0,1|1,0,1]=4 1809 B16R1.801 COc1cc(c(c(c1)OCC(C)C)OC)Br 34a_200020900881_100000210624 [0,1,0,0,0,1|1,0,0]=3 1810 B16R1.801 COc1cc(c(c(c1)OCC(C)O)OC)Br 34a_200020900881_100011218427 [0,1,0,0,0,1|1,0,0]=3 1811 B16R1.801 COc1cc(c(c(c1)OCC(F)F)OC)Br 34a_200020900881_100011934356 [0,1,0,0,0,1|2,0,0]=4 1812 B16R1.801 COc1cc(c(c(c1)OC[C@@H](C)O)OC)Br 34a_200020900881_100009817552 [0,1,0,0,0,1|1,0,0]=3 1813 B16R1.801 COc1cc(c(c(c1)SCC(=O)N)OC)N 62a_100000747473_100010294495 [0,1,0,0,0,1|1,0,1]=4 1814 B16R1.801 COc1cc(c(c(c1)SCC(=O)N)OC)N 62a_100010294495_100000747473 [0,1,0,0,0,1|1,0,1]=4 1815 B16R1.801 COc1cc(c(c(c1)SCC(=O)N)OC)O 62a_100000747473_200020900881 [0,1,0,0,0,1|1,0,1]=4 1816 B16R1.801 COc1cc(c(c(c1)SCC(C)C)OC)N 62a_100000210624_100010294495 [0,1,0,0,0,1|1,0,0]=3 1817 B16R1.801 COc1cc(c(c(c1)SCC(C)C)OC)N 62a_100010294495_100000210760 [0,1,0,0,0,1|1,0,0]=3 1818 B16R1.801 COc1cc(c(c(c1)SCC(C)C)OC)O 62a_100000210624_200020900881 [0,1,0,0,0,1|1,0,0]=3 1819 B16R1.801 COc1cc(c(c(c1)SCC(C)O)OC)N 62a_100010294495_100011218427 [0,1,0,0,0,1|1,0,0]=3 1820 B16R1.801 COc1cc(c(c(c1)SCC(C)O)OC)N 62a_100011218427_100010294495 [0,1,0,0,0,1|1,0,0]=3 1821 B16R1.801 COc1cc(c(c(c1)SCC(C)O)OC)O 62a_100011218427_200020900881 [0,1,0,0,0,1|1,0,0]=3 1822 B16R1.801 COc1cc(c(c(c1)SCC(F)F)OC)N 62a_100010294495_100011934356 [0,1,0,0,0,1|2,0,0]=4 1823 B16R1.801 COc1cc(c(c(c1)SCC(F)F)OC)N 62a_100011934356_100010294495 [0,1,0,0,0,1|2,0,0]=4 1824 B16R1.801 COc1cc(c(c(c1)SCC(F)F)OC)O 62a_100011934356_200020900881 [0,1,0,0,0,1|2,0,0]=4 1825 B16R1.801 COc1cc(c(c(c1)SC[C@@H](C)O)OC)N 62a_100009817552_100010294495 [0,1,0,0,0,1|1,0,0]=3 1826 B16R1.801 COc1cc(c(c(c1)SC[C@@H](C)O)OC)N 62a_100010294495_100009817552 [0,1,0,0,0,1|1,0,0]=3 1827 B16R1.801 COc1cc(c(c(c1)SC[C@@H](C)O)OC)O 62a_100009817552_200020900881 [0,1,0,0,0,1|1,0,0]=3 1828 B16R1.5658 C=C(C)C(=O)Cc1cc(ccc1OC)OC 1458a_100000185857_100000205131 [0,1,0,0,0,1|1,0,1]=4 1829 B16R1.5658 CCc1ccc(c(c1)CN(C)C(C)C)OC 270004a_200000211004_200000117280 [0,1,0,0,0,1|2,0,0]=4 1830 B16R1.5658 COc1ccc(c(c1)CC(=O)C(C)C)OC 1458a_100000210198_100000205131 [0,1,0,0,0,1|1,0,0]=3 1831 B16R1.5658 COc1ccc(c(c1)CC(=O)C(C)C)OC 1458a_100000212042_100000210206 [0,1,0,0,0,1|1,0,0]=3 1832 B16R1.5658 COc1ccc(c(c1)CC(=O)C(C)F)OC 1458a_100000062450_100000205131 [0,1,0,0,0,1|1,0,0]=3 1833 B16R1.5658 COc1ccc(c(c1)CC(=O)C(O)O)OC 1458a_100000233687_100000205131 [0,1,0,0,0,1|2,0,0]=4 1834 B16R1.5658 COc1ccc(c(c1)CC(=O)N(C)C)OC 11a_100102631434_100000212042 [0,1,0,0,0,1|2,0,0]=4 1835 B16R1.5658 COc1ccc(c(c1)CC(=O)N(C)C)OC 1626a_100102631434_100000212042 [0,1,0,0,0,1|2,0,0]=4 1836 B16R1.5658 COc1ccc(c(c1)CC(=O)N(C)C)OC 240690a_100102631434_100000212042 [0,1,0,0,0,1|2,0,0]=4 1837 B16R1.5658 COc1ccc(c(c1)CC(=O)N(C)C)OC 527a_100102631434_100000212042 [0,1,0,0,0,1|2,0,0]=4 1838 B16R1.5658 COc1ccc(c(c1)CC(=O)[C@@H](C)O)OC 1458a_100000717761_100000205131 [0,1,0,0,0,1|1,0,0]=3 1839 B16R1.5658 COc1ccc(c(c1)CC(=O)[C@H](C)O)OC 1458a_217856618621_100000205131 [0,1,0,0,0,1|1,0,0]=3 1840 B16R1.5658 COc1ccc(c(c1)CN(C)C(C)C)OC 269982a_200000211004_100011233847 [0,1,0,0,0,1|1,0,0]=3 1841 B16R1.5658 COc1ccc(c(c1)CN(C)C(C)C)OC 270004a_200000211004_100000170336 [0,1,0,0,0,1|1,0,0]=3 1842 B16R1.5658 COc1ccc(c(c1)NC(=O)C(C)C)OC 11a_100000184736_100000210198 [0,1,0,0,0,1|1,0,1]=4 1843 B16R1.5658 COc1ccc(c(c1)NC(=O)C(C)C)OC 1626a_100000184736_100000210198 [0,1,0,0,0,1|1,0,1]=4 1844 B16R1.5658 COc1ccc(c(c1)NC(=O)C(C)C)OC 22a_100000184736_100000210198 [0,1,0,0,0,1|1,0,1]=4 1845 B16R1.5658 COc1ccc(c(c1)NC(=O)C(C)F)OC 11a_100000184736_100000062450 [0,1,0,0,0,1|1,0,1]=4 1846 B16R1.5658 COc1ccc(c(c1)NC(=O)C(C)F)OC 1626a_100000184736_100000062450 [0,1,0,0,0,1|1,0,1]=4 1847 B16R1.5658 COc1ccc(c(c1)NC(=O)C(C)F)OC 22a_100000184736_100000062450 [0,1,0,0,0,1|1,0,1]=4 1848 B16R1.5658 COc1ccc(c(c1)NC(=O)[C@@H](C)O)OC 22a_100000184736_100000717761 [0,1,0,0,0,1|1,0,1]=4 1849 B16R1.5658 COc1ccc(c(c1)NC(=O)[C@H](C)O)OC 1626a_100000184736_217856618621 [0,1,0,0,0,1|1,0,1]=4 1850 B16R1.5658 COc1ccc(c(c1)NC(=O)[C@H](C)O)OC 22a_100000184736_217856618621 [0,1,0,0,0,1|1,0,1]=4 1851 B16R1.5658 COc1ccc(c(c1)NC(C)C(=O)C)OC 2230a_100000184736_100009814033 [0,1,0,0,0,1|1,0,1]=4 1852 B16R1.5658 COc1ccc(c(c1)NC(C)C(=O)N)OC 2230a_100000184736_100000702099 [0,1,0,0,0,1|1,0,1]=4 1853 B16R1.5658 COc1ccc(c(c1)NC(C)C(=O)N)OC 34a_100000184736_100000702099 [0,1,0,0,0,1|1,0,1]=4 1854 B16R1.5658 COc1ccc(c(c1)NC(F)C(=O)N)OC 2230a_100000184736_100009813875 [0,1,0,0,0,1|1,0,1]=4 1855 B16R1.5658 COc1ccc(c(c1)NC(F)C(=O)N)OC 34a_100000184736_100009813875 [0,1,0,0,0,1|1,0,1]=4 1856 B16R1.5658 COc1ccc(c(c1)OC(C)C(=O)N)OC 34a_100000074795_100000702099 [0,1,0,0,0,1|1,0,1]=4 1857 B16R1.5658 COc1ccc(c(c1)OC(F)C(=O)N)OC 34a_100000074795_100009813875 [0,1,0,0,0,1|1,0,1]=4 1858 B16R1.5658 COc1ccc(c(c1)SC(C)C(=O)C)OC 62a_100009814033_100011215452 [0,1,0,0,0,1|1,0,1]=4 1859 B16R1.5658 COc1ccc(c(c1)SC(C)C(=O)C)OC 62a_100011215452_100009814033 [0,1,0,0,0,1|1,0,1]=4 1860 B16R1.5658 COc1ccc(c(c1)SC(C)C(=O)N)OC 62a_100000702099_100011215452 [0,1,0,0,0,1|1,0,1]=4 1861 B16R1.5658 COc1ccc(c(c1)SC(C)C(=O)N)OC 62a_100011215452_100000702099 [0,1,0,0,0,1|1,0,1]=4 1862 B16R1.5658 COc1ccc(c(c1)SC(F)C(=O)N)OC 62a_100009813875_100011215452 [0,1,0,0,0,1|1,0,1]=4 1863 B16R1.5658 COc1ccc(c(c1)SC(F)C(=O)N)OC 62a_100011215452_100009813875 [0,1,0,0,0,1|1,0,1]=4 1864 B16R1.13505 CNCc1ccc(c(c1)OCC(C)C)OC 34a_100000188468_100000210624 [0,1,0,0,0,1|2,0,0]=4 1865 B16R1.13505 CNCc1ccc(c(c1)OCC(C)O)OC 34a_100000188468_100011218427 [0,1,0,0,0,1|2,0,0]=4 1866 B16R1.13505 CNCc1ccc(c(c1)OC[C@@H](C)O)OC 34a_100000188468_100009817552 [0,1,0,0,0,1|2,0,0]=4 1867 B16R1.13505 COc1ccc(cc1OCC(C)C)CCN 34a_100011207234_100000210624 [0,1,0,0,0,1|2,0,0]=4 1868 B16R1.13505 COc1ccc(cc1OCC(C)O)CCN 34a_100011207234_100011218427 [0,1,0,0,0,1|2,0,0]=4 1869 B16R1.13505 COc1ccc(cc1OC[C@@H](C)O)CCN 34a_100011207234_100009817552 [0,1,0,0,0,1|2,0,0]=4 1870 B16R1.13505 COc1ccc(cc1SCC(C)C)CCN 62a_100000210624_103549771065 [0,1,0,0,0,1|2,0,0]=4 1871 B16R1.13505 COc1ccc(cc1SCC(C)C)CCN 62a_103549771065_100000210760 [0,1,0,0,0,1|2,0,0]=4 1872 B16R1.13505 COc1ccc(cc1SCC(C)C)CCO 62a_100000210624_100011962876 [0,1,0,0,0,1|2,0,0]=4 1873 B16R1.13505 COc1ccc(cc1SCC(C)C)CCO 62a_100011962876_100000210760 [0,1,0,0,0,1|2,0,0]=4 1874 B16R1.13505 COc1ccc(cc1SCC(C)O)CCN 62a_100011218427_103549771065 [0,1,0,0,0,1|2,0,0]=4 1875 B16R1.13505 COc1ccc(cc1SCC(C)O)CCN 62a_103549771065_100011218427 [0,1,0,0,0,1|2,0,0]=4 1876 B16R1.13505 COc1ccc(cc1SCC(C)O)CCO 62a_100011218427_100011962876 [0,1,0,0,0,1|2,0,0]=4 1877 B16R1.13505 COc1ccc(cc1SCC(C)O)CCO 62a_100011962876_100011218427 [0,1,0,0,0,1|2,0,0]=4 1878 B16R1.13505 COc1ccc(cc1SC[C@@H](C)O)CCN 62a_100009817552_103549771065 [0,1,0,0,0,1|2,0,0]=4 1879 B16R1.13505 COc1ccc(cc1SC[C@@H](C)O)CCN 62a_103549771065_100009817552 [0,1,0,0,0,1|2,0,0]=4 1880 B16R1.13505 COc1ccc(cc1SC[C@@H](C)O)CCO 62a_100009817552_100011962876 [0,1,0,0,0,1|2,0,0]=4 1881 B16R1.13505 COc1ccc(cc1SC[C@@H](C)O)CCO 62a_100011962876_100009817552 [0,1,0,0,0,1|2,0,0]=4 1882 B16R1.19024 COc1ccc(cc1CNC(C)C)C(=O)C 2230a_100138425928_100000199119 [0,1,0,0,0,1|2,0,0]=4 1883 B16R1.19024 COc1ccc(cc1CNC(C)C)C(=O)C 34a_100138425928_100000199119 [0,1,0,0,0,1|2,0,0]=4 1884 B16R1.19024 COc1ccc(cc1CNC(C)C)C(C)C 207a_100138425928_200011216500 [0,1,0,0,0,1|2,0,0]=4 1885 B16R1.19024 COc1ccc(cc1COC(C)C)C(=O)C 34a_100000212225_100000199119 [0,1,0,0,0,1|2,0,0]=4 1886 B16R1.19024 COc1ccc(cc1COC(C)C)C(=O)C 7a_100000246370_100000210206 [0,1,0,0,0,1|2,0,0]=4 1887 B16R1.19024 COc1ccc(cc1CSC(C)C)C(=O)C 62a_100000199119_100000210206 [0,1,0,0,0,1|2,0,0]=4 1888 B16R1.19024 COc1ccc(cc1CSC(C)C)C(=O)C 62a_100000210206_100000199119 [0,1,0,0,0,1|2,0,0]=4 1889 B16R1.19024 COc1ccc(cc1OCC(C)C)C(=O)C 34a_100000732934_100000210624 [0,1,0,0,0,1|2,0,0]=4 1890 B16R1.19024 COc1ccc(cc1OCC(C)C)C(=O)C 7a_100000732934_100000210760 [0,1,0,0,0,1|2,0,0]=4 1891 B16R1.19024 COc1ccc(cc1OCC(C)O)C(=O)C 34a_100000732934_100011218427 [0,1,0,0,0,1|2,0,0]=4 1892 B16R1.19024 COc1ccc(cc1OCC(C)O)C(=O)C 7a_100000732934_100011218427 [0,1,0,0,0,1|2,0,0]=4 1893 B16R1.19024 COc1ccc(cc1OC[C@@H](C)O)C(=O)C 34a_100000732934_100009817552 [0,1,0,0,0,1|2,0,0]=4 1894 B16R1.19024 COc1ccc(cc1OC[C@@H](C)O)C(=O)C 7a_100000732934_100009817552 [0,1,0,0,0,1|2,0,0]=4 1895 B16R1.19024 COc1ccc(cc1SCC(C)C)C(=O)C 62a_100000185153_100000210760 [0,1,0,0,0,1|2,0,0]=4 1896 B16R1.19024 COc1ccc(cc1SCC(C)C)C(=O)C 62a_100000210624_100000039561 [0,1,0,0,0,1|2,0,0]=4 1897 B16R1.19024 COc1ccc(cc1SCC(C)C)C(C)O 62a_100000210624_100000246541 [0,1,0,0,0,1|2,0,0]=4 1898 B16R1.19024 COc1ccc(cc1SCC(C)C)C(C)O 62a_100000246541_100000210760 [0,1,0,0,0,1|2,0,0]=4 1899 B16R1.19024 COc1ccc(cc1SCC(C)O)C(=O)C 62a_100000185153_100011218427 [0,1,0,0,0,1|2,0,0]=4 1900 B16R1.19024 COc1ccc(cc1SCC(C)O)C(=O)C 62a_100011218427_100000039561 [0,1,0,0,0,1|2,0,0]=4 1901 B16R1.19024 COc1ccc(cc1SCC(C)O)C(C)O 62a_100000246541_100011218427 [0,1,0,0,0,1|2,0,0]=4 1902 B16R1.19024 COc1ccc(cc1SCC(C)O)C(C)O 62a_100011218427_100000246541 [0,1,0,0,0,1|2,0,0]=4 1903 B16R1.19024 COc1ccc(cc1SC[C@@H](C)O)C(=O)C 62a_100000185153_100009817552 [0,1,0,0,0,1|2,0,0]=4 1904 B16R1.19024 COc1ccc(cc1SC[C@@H](C)O)C(=O)C 62a_100009817552_100000039561 [0,1,0,0,0,1|2,0,0]=4 1905 B16R1.19024 COc1ccc(cc1SC[C@@H](C)O)C(C)O 62a_100000246541_100009817552 [0,1,0,0,0,1|2,0,0]=4 1906 B16R1.19024 COc1ccc(cc1SC[C@@H](C)O)C(C)O 62a_100009817552_100000246541 [0,1,0,0,0,1|2,0,0]=4 1907 B16R1.20060 C=C(C)CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000748629 [0,1,0,0,0,1|1,0,1]=4 1908 B16R1.20060 C=C(C)CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000748629 [0,1,0,0,0,1|1,0,1]=4 1909 B16R1.20060 C=C(C)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000748629 [0,1,0,0,0,1|1,0,1]=4 1910 B16R1.20060 C=C(C)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000748629 [0,1,0,0,0,1|1,0,1]=4 1911 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Br)OC 62a_100000748629_100013799044 [0,1,0,0,0,1|1,0,1]=4 1912 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000211660 [0,1,0,0,0,1|1,0,1]=4 1913 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)C)OC 62a_100000039368_100000211660 [0,1,0,0,0,1|1,0,1]=4 1914 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)C)OC 62a_100000748629_100000039368 [0,1,0,0,0,1|1,0,1]=4 1915 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000211660 [0,1,0,0,0,1|1,0,1]=4 1916 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Cl)OC 62a_100000748629_100000023288 [0,1,0,0,0,1|1,0,1]=4 1917 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)C 34a_200010661296_100000210624 [0,1,0,0,0,1|2,0,0]=4 1918 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)C 7a_200010661296_100000210760 [0,1,0,0,0,1|2,0,0]=4 1919 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)O 34a_200010661296_100011218427 [0,1,0,0,0,1|2,0,0]=4 1920 B16R1.20060 CCc1cc(c(cc1C)OC)OCC(C)O 7a_200010661296_100011218427 [0,1,0,0,0,1|2,0,0]=4 1921 B16R1.20060 CCc1cc(c(cc1C)OC)OC[C@@H](C)O 34a_200010661296_100009817552 [0,1,0,0,0,1|2,0,0]=4 1922 B16R1.20060 CCc1cc(c(cc1C)OC)OC[C@@H](C)O 7a_200010661296_100009817552 [0,1,0,0,0,1|2,0,0]=4 1923 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)C 271570a_100016257149_100013799044 [0,1,0,0,0,1|1,0,1]=4 1924 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)O 271570a_200011019289_100013799044 [0,1,0,0,0,1|1,0,1]=4 1925 B16R1.20060 COc1cc(c(cc1Br)OC)CNC(C)C 207a_100138425928_100000188581 [0,1,0,0,0,1|1,0,0]=3 1926 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)N 34a_100009816818_100000187820 [0,1,0,0,0,1|1,0,1]=4 1927 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)N 7a_100009816818_100000187820 [0,1,0,0,0,1|1,0,1]=4 1928 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)C 34a_100009816818_100000210624 [0,1,0,0,0,1|1,0,0]=3 1929 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)C 7a_100009816818_100000210760 [0,1,0,0,0,1|1,0,0]=3 1930 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)O 34a_100009816818_100011218427 [0,1,0,0,0,1|1,0,0]=3 1931 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)O 7a_100009816818_100011218427 [0,1,0,0,0,1|1,0,0]=3 1932 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(F)F 34a_100009816818_100011934356 [0,1,0,0,0,1|2,0,0]=4 1933 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(F)F 7a_100009816818_100011934356 [0,1,0,0,0,1|2,0,0]=4 1934 B16R1.20060 COc1cc(c(cc1Br)OC)OC[C@@H](C)O 34a_100009816818_100009817552 [0,1,0,0,0,1|1,0,0]=3 1935 B16R1.20060 COc1cc(c(cc1Br)OC)OC[C@@H](C)O 7a_100009816818_100009817552 [0,1,0,0,0,1|1,0,0]=3 1936 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)N 62a_100000747473_100013799044 [0,1,0,0,0,1|1,0,1]=4 1937 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)N 62a_100013799044_100000747473 [0,1,0,0,0,1|1,0,1]=4 1938 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)C 62a_100000210624_100013799044 [0,1,0,0,0,1|1,0,0]=3 1939 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)C 62a_100013799044_100000210760 [0,1,0,0,0,1|1,0,0]=3 1940 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)O 62a_100011218427_100013799044 [0,1,0,0,0,1|1,0,0]=3 1941 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)O 62a_100013799044_100011218427 [0,1,0,0,0,1|1,0,0]=3 1942 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(F)F 62a_100011934356_100013799044 [0,1,0,0,0,1|2,0,0]=4 1943 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(F)F 62a_100013799044_100011934356 [0,1,0,0,0,1|2,0,0]=4 1944 B16R1.20060 COc1cc(c(cc1Br)OC)SC[C@@H](C)O 62a_100009817552_100013799044 [0,1,0,0,0,1|1,0,0]=3 1945 B16R1.20060 COc1cc(c(cc1Br)OC)SC[C@@H](C)O 62a_100013799044_100009817552 [0,1,0,0,0,1|1,0,0]=3 1946 B16R1.20060 COc1cc(c(cc1C)OC)C=CC(C)C 271570a_100016257149_100000039368 [0,1,0,0,0,1|1,0,1]=4 1947 B16R1.20060 COc1cc(c(cc1C)OC)C=CC(C)O 271570a_200011019289_100000039368 [0,1,0,0,0,1|1,0,1]=4 1948 B16R1.20060 COc1cc(c(cc1C)OC)CNC(C)C 207a_100138425928_100000079178 [0,1,0,0,0,1|1,0,0]=3 1949 B16R1.20060 COc1cc(c(cc1C)OC)COC(C)C 34a_200010309539_100000210206 [0,1,0,0,0,1|1,0,0]=3 1950 B16R1.20060 COc1cc(c(cc1C)OC)COC(C)C 7a_200010309539_100000210206 [0,1,0,0,0,1|1,0,0]=3 1951 B16R1.20060 COc1cc(c(cc1C)OC)SCC(=O)N 62a_100000039368_100000747473 [0,1,0,0,0,1|1,0,1]=4 1952 B16R1.20060 COc1cc(c(cc1C)OC)SCC(=O)N 62a_100000747473_100000039368 [0,1,0,0,0,1|1,0,1]=4 1953 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)C 62a_100000039368_100000210760 [0,1,0,0,0,1|1,0,0]=3 1954 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)C 62a_100000210624_100000039368 [0,1,0,0,0,1|1,0,0]=3 1955 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)O 62a_100000039368_100011218427 [0,1,0,0,0,1|1,0,0]=3 1956 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)O 62a_100011218427_100000039368 [0,1,0,0,0,1|1,0,0]=3 1957 B16R1.20060 COc1cc(c(cc1C)OC)SCC(F)F 62a_100000039368_100011934356 [0,1,0,0,0,1|2,0,0]=4 1958 B16R1.20060 COc1cc(c(cc1C)OC)SCC(F)F 62a_100011934356_100000039368 [0,1,0,0,0,1|2,0,0]=4 1959 B16R1.20060 COc1cc(c(cc1C)OC)SC[C@@H](C)O 62a_100000039368_100009817552 [0,1,0,0,0,1|1,0,0]=3 1960 B16R1.20060 COc1cc(c(cc1C)OC)SC[C@@H](C)O 62a_100009817552_100000039368 [0,1,0,0,0,1|1,0,0]=3 1961 B16R1.20060 COc1cc(c(cc1Cl)OC)C=CC(C)C 271570a_100016257149_100000023288 [0,1,0,0,0,1|1,0,1]=4 1962 B16R1.20060 COc1cc(c(cc1Cl)OC)C=CC(C)O 271570a_200011019289_100000023288 [0,1,0,0,0,1|1,0,1]=4 1963 B16R1.20060 COc1cc(c(cc1Cl)OC)CNC(C)C 207a_100138425928_100010168916 [0,1,0,0,0,1|1,0,0]=3 1964 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(=O)N 2230a_100000179761_100000747473 [0,1,0,0,0,1|1,0,1]=4 1965 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(=O)N 34a_100000179761_100000187820 [0,1,0,0,0,1|1,0,1]=4 1966 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)C 2230a_100000179761_100000210760 [0,1,0,0,0,1|1,0,0]=3 1967 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)C 34a_100000179761_100000210624 [0,1,0,0,0,1|1,0,0]=3 1968 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)O 2230a_100000179761_100011218427 [0,1,0,0,0,1|1,0,0]=3 1969 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)O 34a_100000179761_100011218427 [0,1,0,0,0,1|1,0,0]=3 1970 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(F)F 2230a_100000179761_100011934356 [0,1,0,0,0,1|2,0,0]=4 1971 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(F)F 34a_100000179761_100011934356 [0,1,0,0,0,1|2,0,0]=4 1972 B16R1.20060 COc1cc(c(cc1Cl)OC)NC[C@@H](C)O 2230a_100000179761_100009817552 [0,1,0,0,0,1|1,0,0]=3 1973 B16R1.20060 COc1cc(c(cc1Cl)OC)NC[C@@H](C)O 34a_100000179761_100009817552 [0,1,0,0,0,1|1,0,0]=3 1974 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(=O)N 62a_100000023288_100000747473 [0,1,0,0,0,1|1,0,1]=4 1975 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(=O)N 62a_100000747473_100000023288 [0,1,0,0,0,1|1,0,1]=4 1976 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)C 62a_100000023288_100000210760 [0,1,0,0,0,1|1,0,0]=3 1977 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)C 62a_100000210624_100000023288 [0,1,0,0,0,1|1,0,0]=3 1978 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)O 62a_100000023288_100011218427 [0,1,0,0,0,1|1,0,0]=3 1979 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)O 62a_100011218427_100000023288 [0,1,0,0,0,1|1,0,0]=3 1980 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(F)F 62a_100000023288_100011934356 [0,1,0,0,0,1|2,0,0]=4 1981 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(F)F 62a_100011934356_100000023288 [0,1,0,0,0,1|2,0,0]=4 1982 B16R1.20060 COc1cc(c(cc1Cl)OC)SC[C@@H](C)O 62a_100000023288_100009817552 [0,1,0,0,0,1|1,0,0]=3 1983 B16R1.20060 COc1cc(c(cc1Cl)OC)SC[C@@H](C)O 62a_100009817552_100000023288 [0,1,0,0,0,1|1,0,0]=3 1984 B16R1.20060 COc1cc(c(cc1I)OC)CNC(C)C 207a_100138425928_200010262236 [0,1,0,0,0,1|1,0,0]=3 1985 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)C 271570a_100016257149_100009816818 [0,1,0,0,0,1|1,0,1]=4 1986 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)O 271570a_200011019289_100009816818 [0,1,0,0,0,1|1,0,1]=4 1987 B16R1.20156 C#CC(C)NCc1cc(ccc1OC)CC 270004a_100000707721_200000117280 [0,1,0,0,0,1|2,0,0]=4 1988 B16R1.20156 C#CC(C)NCc1cc(ccc1OC)OC 270004a_100000707721_100000170336 [0,1,0,0,0,1|1,0,0]=3 1989 B16R1.20156 C#CC(C)NCc1cc(ccc1OC)OC 34a_100000185951_200000035995 [0,1,0,0,0,1|1,0,0]=3 1990 B16R1.20156 C#CC(C)NCc1cc(ccc1OC)OC 34a_100000707721_100011233847 [0,1,0,0,0,1|1,0,0]=3 1991 B16R1.20156 C#CC(C)OCc1cc(ccc1OC)OC 34a_100000212306_200000035995 [0,1,0,0,0,1|1,0,0]=3 1992 B16R1.20156 C#CC(C)SCc1cc(ccc1OC)OC 62a_200000035995_100011233847 [0,1,0,0,0,1|1,0,0]=3 1993 B16R1.20156 C#C[C@@H](C)OCc1cc(ccc1OC)OC 34a_100009815206_100011233847 [0,1,0,0,0,1|1,0,0]=3 1994 B16R1.20156 C#C[C@@H](C)OCc1cc(ccc1OC)OC 7a_100009815206_100000205131 [0,1,0,0,0,1|1,0,0]=3 1995 B16R1.20156 C=CC(C)OCc1cc(ccc1OC)OC 34a_100000695699_100011233847 [0,1,0,0,0,1|1,0,0]=3 1996 B16R1.20156 C=CC(C)SCc1cc(ccc1OC)OC 62a_100011215867_100011233847 [0,1,0,0,0,1|1,0,0]=3 1997 B16R1.20156 C=CC(O)CNc1cc(ccc1OC)OC 2230a_100000184736_100000730141 [0,1,0,0,0,1|1,0,1]=4 1998 B16R1.20156 C=CC(O)CNc1cc(ccc1OC)OC 34a_100000184736_100000730141 [0,1,0,0,0,1|1,0,1]=4 1999 B16R1.20156 C=CC(O)COc1cc(ccc1OC)OC 34a_100000074795_100000730141 [0,1,0,0,0,1|1,0,1]=4 2000 B16R1.20156 C=CC(O)CSc1cc(ccc1OC)OC 62a_100000730141_100011215452 [0,1,0,0,0,1|1,0,1]=4 2001 B16R1.20156 C=CC(O)CSc1cc(ccc1OC)OC 62a_100011215452_100000730141 [0,1,0,0,0,1|1,0,1]=4 2002 B16R1.20156 CCC(=O)CCc1cc(ccc1OC)OC 1458a_100000736209_100000210202 [0,1,0,0,0,1|1,0,1]=4 2003 B16R1.20156 CCC(=O)CSc1cc(ccc1OC)OC 62a_100000747405_100011215452 [0,1,0,0,0,1|1,0,1]=4 2004 B16R1.20156 CCC(=O)CSc1cc(ccc1OC)OC 62a_100011215452_100000747405 [0,1,0,0,0,1|1,0,1]=4 2005 B16R1.20156 CCC(=O)NCc1cc(ccc1OC)OC 11a_100000185951_100000210414 [0,1,0,0,0,1|1,0,1]=4 2006 B16R1.20156 CCC(=O)NCc1cc(ccc1OC)OC 1626a_100000185951_100000210414 [0,1,0,0,0,1|1,0,1]=4 2007 B16R1.20156 CCC(=O)NCc1cc(ccc1OC)OC 240690a_100000185951_100000210414 [0,1,0,0,0,1|1,0,1]=4 2008 B16R1.20156 CCC(=O)NCc1cc(ccc1OC)OC 527a_100000185951_100000210414 [0,1,0,0,0,1|1,0,1]=4 2009 B16R1.20156 CCC(C)CNc1cc(ccc1OC)OC 2230a_100000184736_100000748023 [0,1,0,0,0,1|1,0,0]=3 2010 B16R1.20156 CCC(C)CNc1cc(ccc1OC)OC 34a_100000184736_100000748023 [0,1,0,0,0,1|1,0,0]=3 2011 B16R1.20156 CCC(C)COc1cc(ccc1OC)OC 34a_100000074795_100000748023 [0,1,0,0,0,1|1,0,0]=3 2012 B16R1.20156 CCC(C)CSc1cc(ccc1OC)NC 62a_100000748023_114948341033 [0,1,0,0,0,1|2,0,0]=4 2013 B16R1.20156 CCC(C)CSc1cc(ccc1OC)NC 62a_114948341033_100000748023 [0,1,0,0,0,1|2,0,0]=4 2014 B16R1.20156 CCC(C)CSc1cc(ccc1OC)OC 62a_100000748023_100011215452 [0,1,0,0,0,1|1,0,0]=3 2015 B16R1.20156 CCC(C)CSc1cc(ccc1OC)OC 62a_100011215452_100000748023 [0,1,0,0,0,1|1,0,0]=3 2016 B16R1.20156 CCC(C)NCc1cc(ccc1OC)OC 207a_100000209981_100000170336 [0,1,0,0,0,1|1,0,0]=3 2017 B16R1.20156 CCC(C)NCc1cc(ccc1OC)OC 270004a_100000209981_100000170336 [0,1,0,0,0,1|1,0,0]=3 2018 B16R1.20156 CCC(C)NCc1cc(ccc1OC)OC 34a_100000185951_100011215416 [0,1,0,0,0,1|1,0,0]=3 2019 B16R1.20156 CCC(C)OCc1cc(ccc1OC)OC 34a_100000212306_100011215416 [0,1,0,0,0,1|1,0,0]=3 2020 B16R1.20156 CCC(C)OCc1cc(ccc1OC)OC 7a_100000210228_100000205131 [0,1,0,0,0,1|1,0,0]=3 2021 B16R1.20156 CCC(C)SCc1cc(ccc1OC)OC 62a_100000205131_100000758301 [0,1,0,0,0,1|1,0,0]=3 2022 B16R1.20156 CCC(C)SCc1cc(ccc1OC)OC 62a_100000758301_100011233847 [0,1,0,0,0,1|1,0,0]=3 2023 B16R1.20156 CCC(O)CNc1cc(ccc1OC)OC 2230a_100000184736_100011218378 [0,1,0,0,0,1|1,0,0]=3 2024 B16R1.20156 CCC(O)CNc1cc(ccc1OC)OC 34a_100000184736_100011218378 [0,1,0,0,0,1|1,0,0]=3 2025 B16R1.20156 CCC(O)COc1cc(ccc1OC)OC 34a_100000074795_100011218378 [0,1,0,0,0,1|1,0,0]=3 2026 B16R1.20156 CCC(O)CSc1cc(ccc1OC)NC 62a_100011218378_114948341033 [0,1,0,0,0,1|2,0,0]=4 2027 B16R1.20156 CCC(O)CSc1cc(ccc1OC)NC 62a_114948341033_100011218378 [0,1,0,0,0,1|2,0,0]=4 2028 B16R1.20156 CCC(O)CSc1cc(ccc1OC)OC 62a_100011215452_100011218378 [0,1,0,0,0,1|1,0,0]=3 2029 B16R1.20156 CCC(O)CSc1cc(ccc1OC)OC 62a_100011218378_100011215452 [0,1,0,0,0,1|1,0,0]=3 2030 B16R1.20156 CC[C@H](C)CNc1cc(ccc1OC)OC 2230a_100000184736_100009816398 [0,1,0,0,0,1|1,0,0]=3 2031 B16R1.20156 CC[C@H](C)CNc1cc(ccc1OC)OC 34a_100000184736_100009816398 [0,1,0,0,0,1|1,0,0]=3 2032 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)OC 34a_100000074795_100009816398 [0,1,0,0,0,1|1,0,0]=3 2033 B16R1.20156 CC[C@H](C)CSc1cc(ccc1OC)NC 62a_100009816398_114948341033 [0,1,0,0,0,1|2,0,0]=4 2034 B16R1.20156 CC[C@H](C)CSc1cc(ccc1OC)NC 62a_114948341033_100009816398 [0,1,0,0,0,1|2,0,0]=4 2035 B16R1.20156 CC[C@H](C)CSc1cc(ccc1OC)OC 62a_100009816398_100011215452 [0,1,0,0,0,1|1,0,0]=3 2036 B16R1.20156 CC[C@H](C)CSc1cc(ccc1OC)OC 62a_100011215452_100009816398 [0,1,0,0,0,1|1,0,0]=3 2037 B16R1.20156 CCc1ccc(c(c1)CNC(C)CC)OC 207a_100000209981_200000117280 [0,1,0,0,0,1|2,0,0]=4 2038 B16R1.20156 CCc1ccc(c(c1)CNC(C)CC)OC 270004a_100000209981_200000117280 [0,1,0,0,0,1|2,0,0]=4 2039 B16R1.20156 CCc1ccc(c(c1)CN[C@H](C)CF)OC 207a_100102880703_200000117280 [0,1,0,0,0,1|2,0,0]=4 2040 B16R1.20156 CCc1ccc(c(c1)CN[C@H](C)CF)OC 270004a_100102880703_200000117280 [0,1,0,0,0,1|2,0,0]=4 2041 B16R1.20156 CCc1ccc(c(c1)CN[C@H](C)CO)OC 207a_100000737577_200000117280 [0,1,0,0,0,1|2,0,0]=4 2042 B16R1.20156 CCc1ccc(c(c1)CN[C@H](C)CO)OC 270004a_100000737577_200000117280 [0,1,0,0,0,1|2,0,0]=4 2043 B16R1.20156 CCc1ccc(c(c1)NCC(C)CC)OC 2230a_100012035449_100000748023 [0,1,0,0,0,1|2,0,0]=4 2044 B16R1.20156 CCc1ccc(c(c1)NCC(C)CC)OC 34a_100012035449_100000748023 [0,1,0,0,0,1|2,0,0]=4 2045 B16R1.20156 CCc1ccc(c(c1)NCC(O)CC)OC 2230a_100012035449_100011218378 [0,1,0,0,0,1|2,0,0]=4 2046 B16R1.20156 CCc1ccc(c(c1)NCC(O)CC)OC 34a_100012035449_100011218378 [0,1,0,0,0,1|2,0,0]=4 2047 B16R1.20156 CCc1ccc(c(c1)NCC(O)CO)OC 2230a_100012035449_100011219619 [0,1,0,0,0,1|2,0,0]=4 2048 B16R1.20156 CCc1ccc(c(c1)NCC(O)CO)OC 34a_100012035449_100011219619 [0,1,0,0,0,1|2,0,0]=4 2049 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](C)CC)OC 2230a_100012035449_100009816398 [0,1,0,0,0,1|2,0,0]=4 2050 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](C)CC)OC 34a_100012035449_100009816398 [0,1,0,0,0,1|2,0,0]=4 2051 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](C)CO)OC 2230a_100012035449_100000059175 [0,1,0,0,0,1|2,0,0]=4 2052 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](C)CO)OC 34a_100012035449_100000059175 [0,1,0,0,0,1|2,0,0]=4 2053 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CF)OC 2230a_100012035449_100015614560 [0,1,0,0,0,1|2,0,0]=4 2054 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CF)OC 34a_100012035449_100015614560 [0,1,0,0,0,1|2,0,0]=4 2055 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CO)OC 2230a_100012035449_100009815848 [0,1,0,0,0,1|2,0,0]=4 2056 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CO)OC 34a_100012035449_100009815848 [0,1,0,0,0,1|2,0,0]=4 2057 B16R1.20156 CCc1ccc(c(c1)OCC(C)CC)OC 34a_100009844796_100000748023 [0,1,0,0,0,1|2,0,0]=4 2058 B16R1.20156 CCc1ccc(c(c1)OCC(C)CC)OC 7a_100009844796_100000748023 [0,1,0,0,0,1|2,0,0]=4 2059 B16R1.20156 CCc1ccc(c(c1)OCC(O)CC)OC 34a_100009844796_100011218378 [0,1,0,0,0,1|2,0,0]=4 2060 B16R1.20156 CCc1ccc(c(c1)OCC(O)CC)OC 7a_100009844796_100011218378 [0,1,0,0,0,1|2,0,0]=4 2061 B16R1.20156 CCc1ccc(c(c1)OCC(O)CO)OC 34a_100009844796_100011219619 [0,1,0,0,0,1|2,0,0]=4 2062 B16R1.20156 CCc1ccc(c(c1)OCC(O)CO)OC 7a_100009844796_100011219619 [0,1,0,0,0,1|2,0,0]=4 2063 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CC)OC 34a_100009844796_100009816398 [0,1,0,0,0,1|2,0,0]=4 2064 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CC)OC 7a_100009844796_100009816398 [0,1,0,0,0,1|2,0,0]=4 2065 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CO)OC 34a_100009844796_100000059175 [0,1,0,0,0,1|2,0,0]=4 2066 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CO)OC 7a_100009844796_100000059175 [0,1,0,0,0,1|2,0,0]=4 2067 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CF)OC 34a_100009844796_100015614560 [0,1,0,0,0,1|2,0,0]=4 2068 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CF)OC 7a_100009844796_100015614560 [0,1,0,0,0,1|2,0,0]=4 2069 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CO)OC 34a_100009844796_100009815848 [0,1,0,0,0,1|2,0,0]=4 2070 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CO)OC 7a_100009844796_100009815848 [0,1,0,0,0,1|2,0,0]=4 2071 B16R1.20156 CCc1ccc(c(c1)SCC(C)CC)OC 62a_100000748023_100010062400 [0,1,0,0,0,1|2,0,0]=4 2072 B16R1.20156 CCc1ccc(c(c1)SCC(C)CC)OC 62a_100010062400_100000748023 [0,1,0,0,0,1|2,0,0]=4 2073 B16R1.20156 CCc1ccc(c(c1)SCC(O)CC)OC 62a_100010062400_100011218378 [0,1,0,0,0,1|2,0,0]=4 2074 B16R1.20156 CCc1ccc(c(c1)SCC(O)CC)OC 62a_100011218378_100010062400 [0,1,0,0,0,1|2,0,0]=4 2075 B16R1.20156 CCc1ccc(c(c1)SCC(O)CO)OC 62a_100010062400_100011219619 [0,1,0,0,0,1|2,0,0]=4 2076 B16R1.20156 CCc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_100010062400 [0,1,0,0,0,1|2,0,0]=4 2077 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](C)CC)OC 62a_100009816398_100010062400 [0,1,0,0,0,1|2,0,0]=4 2078 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](C)CC)OC 62a_100010062400_100009816398 [0,1,0,0,0,1|2,0,0]=4 2079 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_100010062400 [0,1,0,0,0,1|2,0,0]=4 2080 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100010062400_100000059175 [0,1,0,0,0,1|2,0,0]=4 2081 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100010062400_100015614560 [0,1,0,0,0,1|2,0,0]=4 2082 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_100010062400 [0,1,0,0,0,1|2,0,0]=4 2083 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_100010062400 [0,1,0,0,0,1|2,0,0]=4 2084 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100010062400_100009815848 [0,1,0,0,0,1|2,0,0]=4 2085 B16R1.20156 CNC(=O)CCc1cc(ccc1OC)OC 11a_106832991635_100000736209 [0,1,0,0,0,1|1,0,1]=4 2086 B16R1.20156 CNC(=O)CCc1cc(ccc1OC)OC 1626a_100102657272_100000736209 [0,1,0,0,0,1|1,0,1]=4 2087 B16R1.20156 CNC(=O)CCc1cc(ccc1OC)OC 240690a_100102657272_100000736209 [0,1,0,0,0,1|1,0,1]=4 2088 B16R1.20156 CNC(=O)CCc1cc(ccc1OC)OC 527a_100102657272_100000736209 [0,1,0,0,0,1|1,0,1]=4 2089 B16R1.20156 CNC(=O)CNc1cc(ccc1OC)OC 2230a_100000184736_100000183359 [0,1,0,0,0,1|1,0,1]=4 2090 B16R1.20156 CNC(=O)CNc1cc(ccc1OC)OC 34a_100000184736_100000183359 [0,1,0,0,0,1|1,0,1]=4 2091 B16R1.20156 CNC(=O)COc1cc(ccc1OC)OC 34a_100000074795_100000183359 [0,1,0,0,0,1|1,0,1]=4 2092 B16R1.20156 CNC(=O)CSc1cc(ccc1OC)OC 62a_100000183359_100011215452 [0,1,0,0,0,1|1,0,1]=4 2093 B16R1.20156 CNC(=O)CSc1cc(ccc1OC)OC 62a_100011215452_100000183359 [0,1,0,0,0,1|1,0,1]=4 2094 B16R1.20156 CNC(=O)NCc1cc(ccc1OC)OC 2708a_100000185951_106832991635 [0,1,0,0,0,1|1,0,1]=4 2095 B16R1.20156 CNC(=O)NCc1cc(ccc1OC)OC 2708a_100102657272_100000185951 [0,1,0,0,0,1|1,0,1]=4 2096 B16R1.20156 CNC(=O)NCc1cc(ccc1OC)OC 273464a_100000185951_100102657272 [0,1,0,0,0,1|1,0,1]=4 2097 B16R1.20156 CNC(=O)NCc1cc(ccc1OC)OC 273464a_100102657272_100000185951 [0,1,0,0,0,1|1,0,1]=4 2098 B16R1.20156 CNC(=O)NCc1cc(ccc1OC)OC 512a_100000185951_100102657272 [0,1,0,0,0,1|1,0,1]=4 2099 B16R1.20156 CNC(=O)NCc1cc(ccc1OC)OC 512a_106832991638_100000185951 [0,1,0,0,0,1|1,0,1]=4 2100 B16R1.20156 CNc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_114948341033 [0,1,0,0,0,1|2,0,0]=4 2101 B16R1.20156 CNc1ccc(c(c1)SCC(O)CO)OC 62a_114948341033_100011219619 [0,1,0,0,0,1|2,0,0]=4 2102 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_114948341033 [0,1,0,0,0,1|2,0,0]=4 2103 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_114948341033_100000059175 [0,1,0,0,0,1|2,0,0]=4 2104 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_114948341033 [0,1,0,0,0,1|2,0,0]=4 2105 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_114948341033_100015614560 [0,1,0,0,0,1|2,0,0]=4 2106 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_114948341033 [0,1,0,0,0,1|2,0,0]=4 2107 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_114948341033_100009815848 [0,1,0,0,0,1|2,0,0]=4 2108 B16R1.20156 COC(=O)CNc1cc(ccc1OC)OC 2230a_100000184736_100000747449 [0,1,0,0,0,1|1,0,1]=4 2109 B16R1.20156 COC(=O)CNc1cc(ccc1OC)OC 34a_100000184736_100000747449 [0,1,0,0,0,1|1,0,1]=4 2110 B16R1.20156 COC(=O)COc1cc(ccc1OC)OC 34a_100000074795_100000747449 [0,1,0,0,0,1|1,0,1]=4 2111 B16R1.20156 COC(=O)CSc1cc(ccc1OC)OC 62a_100000747449_100011215452 [0,1,0,0,0,1|1,0,1]=4 2112 B16R1.20156 COC(=O)CSc1cc(ccc1OC)OC 62a_100011215452_100000747449 [0,1,0,0,0,1|1,0,1]=4 2113 B16R1.20156 COc1ccc(c(c1)CCC(=O)CF)OC 1458a_100000736209_100015361967 [0,1,0,0,0,1|1,0,1]=4 2114 B16R1.20156 COc1ccc(c(c1)CNC(=O)CO)OC 240690a_100000185951_100000210174 [0,1,0,0,0,1|1,0,1]=4 2115 B16R1.20156 COc1ccc(c(c1)CNC(=O)CO)OC 527a_100000185951_100000210174 [0,1,0,0,0,1|1,0,1]=4 2116 B16R1.20156 COc1ccc(c(c1)CNC(C)CO)OC 34a_100000185951_100012180447 [0,1,0,0,0,1|1,0,0]=3 2117 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CF)OC 207a_100102880703_100000170336 [0,1,0,0,0,1|1,0,0]=3 2118 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CF)OC 270004a_100102880703_100000170336 [0,1,0,0,0,1|1,0,0]=3 2119 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CO)OC 207a_100000737577_100000170336 [0,1,0,0,0,1|1,0,0]=3 2120 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CO)OC 270004a_100000737577_100000170336 [0,1,0,0,0,1|1,0,0]=3 2121 B16R1.20156 COc1ccc(c(c1)COC(C)C#N)OC 34a_100011218135_100011233847 [0,1,0,0,0,1|0,0,1]=3 2122 B16R1.20156 COc1ccc(c(c1)COC(C)CF)OC 34a_100016041109_100011233847 [0,1,0,0,0,1|1,0,0]=3 2123 B16R1.20156 COc1ccc(c(c1)COC(C)CF)OC 7a_100016041109_100000205131 [0,1,0,0,0,1|1,0,0]=3 2124 B16R1.20156 COc1ccc(c(c1)COC(C)CN)OC 34a_100000210904_100011233847 [0,1,0,0,0,1|0,0,0]=2 2125 B16R1.20156 COc1ccc(c(c1)COC(C)CO)OC 34a_100000212306_100012180447 [0,1,0,0,0,1|1,0,0]=3 2126 B16R1.20156 COc1ccc(c(c1)CSC(C)C#N)OC 62a_100000205131_100000703298 [0,1,0,0,0,1|0,0,1]=3 2127 B16R1.20156 COc1ccc(c(c1)CSC(C)C#N)OC 62a_100000703298_100011233847 [0,1,0,0,0,1|0,0,1]=3 2128 B16R1.20156 COc1ccc(c(c1)CSC(C)CO)OC 62a_100012180447_100011233847 [0,1,0,0,0,1|1,0,0]=3 2129 B16R1.20156 COc1ccc(c(c1)CSC(C)OC)OC 62a_100000205131_100009879195 [0,1,0,0,0,1|1,0,0]=3 2130 B16R1.20156 COc1ccc(c(c1)CSC(C)OC)OC 62a_100009879195_100011233847 [0,1,0,0,0,1|1,0,0]=3 2131 B16R1.20156 COc1ccc(c(c1)CSC(F)C#N)OC 62a_100000205131_200000117898 [0,1,0,0,0,1|1,0,1]=4 2132 B16R1.20156 COc1ccc(c(c1)CSC(F)C#N)OC 62a_200000117898_100011233847 [0,1,0,0,0,1|1,0,1]=4 2133 B16R1.20156 COc1ccc(c(c1)CS[C@H](C)CO)OC 62a_100000205131_100016084084 [0,1,0,0,0,1|1,0,0]=3 2134 B16R1.20156 COc1ccc(c(c1)CS[C@H](C)CO)OC 62a_100016084084_100011233847 [0,1,0,0,0,1|1,0,0]=3 2135 B16R1.20156 COc1ccc(c(c1)NCC(O)CO)OC 2230a_100000184736_100011219619 [0,1,0,0,0,1|1,0,0]=3 2136 B16R1.20156 COc1ccc(c(c1)NCC(O)CO)OC 34a_100000184736_100011219619 [0,1,0,0,0,1|1,0,0]=3 2137 B16R1.20156 COc1ccc(c(c1)NC[C@@H](C)CO)OC 2230a_100000184736_100000059175 [0,1,0,0,0,1|1,0,0]=3 2138 B16R1.20156 COc1ccc(c(c1)NC[C@@H](C)CO)OC 34a_100000184736_100000059175 [0,1,0,0,0,1|1,0,0]=3 2139 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CF)OC 2230a_100000184736_100015614560 [0,1,0,0,0,1|1,0,0]=3 2140 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CF)OC 34a_100000184736_100015614560 [0,1,0,0,0,1|1,0,0]=3 2141 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CO)OC 2230a_100000184736_100009815848 [0,1,0,0,0,1|1,0,0]=3 2142 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CO)OC 34a_100000184736_100009815848 [0,1,0,0,0,1|1,0,0]=3 2143 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)OC 34a_100000074795_100011219619 [0,1,0,0,0,1|1,0,0]=3 2144 B16R1.20156 COc1ccc(c(c1)OC[C@@H](C)CO)OC 34a_100000074795_100000059175 [0,1,0,0,0,1|1,0,0]=3 2145 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CF)OC 34a_100000074795_100015614560 [0,1,0,0,0,1|1,0,0]=3 2146 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)OC 34a_100000074795_100009815848 [0,1,0,0,0,1|1,0,0]=3 2147 B16R1.20156 COc1ccc(c(c1)SCC(O)CO)OC 62a_100011215452_100011219619 [0,1,0,0,0,1|1,0,0]=3 2148 B16R1.20156 COc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_100011215452 [0,1,0,0,0,1|1,0,0]=3 2149 B16R1.20156 COc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_100011215452 [0,1,0,0,0,1|1,0,0]=3 2150 B16R1.20156 COc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100011215452_100000059175 [0,1,0,0,0,1|1,0,0]=3 2151 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100011215452_100015614560 [0,1,0,0,0,1|1,0,0]=3 2152 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_100011215452 [0,1,0,0,0,1|1,0,0]=3 2153 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_100011215452 [0,1,0,0,0,1|1,0,0]=3 2154 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100011215452_100009815848 [0,1,0,0,0,1|1,0,0]=3 2155 B16R1.20156 COc1ccc(cc1COC(C)CN)C=O 34a_100000210904_100000028394 [0,1,0,0,0,1|2,0,0]=4 2156 B16R1.20203 COc1ccc(c(c1)NCC(C)C)C(C)C 2230a_100009963057_100000210760 [0,1,0,0,0,1|2,0,0]=4 2157 B16R1.20203 COc1ccc(c(c1)NCC(C)C)C(C)C 34a_100009963057_100000210624 [0,1,0,0,0,1|2,0,0]=4 2158 B16R1.20203 COc1ccc(c(c1)NCC(C)C)C(C)C 7a_100009963057_100000210760 [0,1,0,0,0,1|2,0,0]=4 2159 B16R1.20203 COc1ccc(c(c1)NCC(C)O)C(C)C 2230a_100009963057_100011218427 [0,1,0,0,0,1|2,0,0]=4 2160 B16R1.20203 COc1ccc(c(c1)NCC(C)O)C(C)C 34a_100009963057_100011218427 [0,1,0,0,0,1|2,0,0]=4 2161 B16R1.20203 COc1ccc(c(c1)NCC(C)O)C(C)C 7a_100009963057_100011218427 [0,1,0,0,0,1|2,0,0]=4 2162 B16R1.20203 COc1ccc(c(c1)NC[C@@H](C)O)C(C)C 2230a_100009963057_100009817552 [0,1,0,0,0,1|2,0,0]=4 2163 B16R1.20203 COc1ccc(c(c1)NC[C@@H](C)O)C(C)C 34a_100009963057_100009817552 [0,1,0,0,0,1|2,0,0]=4 2164 B16R1.20203 COc1ccc(c(c1)NC[C@@H](C)O)C(C)C 7a_100009963057_100009817552 [0,1,0,0,0,1|2,0,0]=4 2165 B16R1.20203 COc1ccc(c(c1)OCC(C)C)C(=O)C 34a_100000185565_100000210624 [0,1,0,0,0,1|2,0,0]=4 2166 B16R1.20203 COc1ccc(c(c1)OCC(C)C)C(=O)C 7a_100000185565_100000210760 [0,1,0,0,0,1|2,0,0]=4 2167 B16R1.20203 COc1ccc(c(c1)OCC(C)O)C(=O)C 34a_100000185565_100011218427 [0,1,0,0,0,1|2,0,0]=4 2168 B16R1.20203 COc1ccc(c(c1)OCC(C)O)C(=O)C 7a_100000185565_100011218427 [0,1,0,0,0,1|2,0,0]=4 2169 B16R1.20203 COc1ccc(c(c1)OC[C@@H](C)O)C(=O)C 34a_100000185565_100009817552 [0,1,0,0,0,1|2,0,0]=4 2170 B16R1.20203 COc1ccc(c(c1)OC[C@@H](C)O)C(=O)C 7a_100000185565_100009817552 [0,1,0,0,0,1|2,0,0]=4 2171 B16R1.20203 COc1ccc(c(c1)SCC(C)C)C(=O)C 62a_100000697255_100000210760 [0,1,0,0,0,1|2,0,0]=4 2172 B16R1.20203 COc1ccc(c(c1)SCC(C)C)C(C)O 62a_100000210624_100000697252 [0,1,0,0,0,1|2,0,0]=4 2173 B16R1.20203 COc1ccc(c(c1)SCC(C)C)C(C)O 62a_100000697252_100000210760 [0,1,0,0,0,1|2,0,0]=4 2174 B16R1.20203 COc1ccc(c(c1)SCC(C)O)C(=O)C 62a_100000697255_100011218427 [0,1,0,0,0,1|2,0,0]=4 2175 B16R1.20203 COc1ccc(c(c1)SCC(C)O)C(C)O 62a_100000697252_100011218427 [0,1,0,0,0,1|2,0,0]=4 2176 B16R1.20203 COc1ccc(c(c1)SCC(C)O)C(C)O 62a_100011218427_100000697252 [0,1,0,0,0,1|2,0,0]=4 2177 B16R1.20203 COc1ccc(c(c1)SC[C@@H](C)O)C(=O)C 62a_100000697255_100009817552 [0,1,0,0,0,1|2,0,0]=4 2178 B16R1.20203 COc1ccc(c(c1)SC[C@@H](C)O)C(C)O 62a_100000697252_100009817552 [0,1,0,0,0,1|2,0,0]=4 2179 B16R1.20203 COc1ccc(c(c1)SC[C@@H](C)O)C(C)O 62a_100009817552_100000697252 [0,1,0,0,0,1|2,0,0]=4 2180 B16R1.20229 C=C(C)CC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000748629 [0,1,0,0,0,1|1,0,1]=4 2181 B16R1.20229 C=C(C)CN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000748629 [0,1,0,0,0,1|1,0,1]=4 2182 B16R1.20229 C=C(C)CN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000748629 [0,1,0,0,0,1|1,0,1]=4 2183 B16R1.20229 C=C(C)CN(C)c1cc(ccc1OC)OC 34a_100000221073_100000748629 [0,1,0,0,0,1|1,0,1]=4 2184 B16R1.20229 CCc1ccc(c(c1)[C@@H](N)CC(C)C)OC 271570a_100015190218_100010062400 [0,1,0,0,0,1|2,0,0]=4 2185 B16R1.20229 CNc1ccc(c(c1)[C@@H](N)CC(C)C)OC 271570a_100015190218_114948341033 [0,1,0,0,0,1|2,0,0]=4 2186 B16R1.20229 COc1ccc(c(c1)C(=O)CC(=O)C)OC 1458a_100000070787_100000181217 [0,1,0,0,0,1|1,0,1]=4 2187 B16R1.20229 COc1ccc(c(c1)C(=O)CC(=O)N)OC 1458a_100000185243_100000187820 [0,1,0,0,0,1|1,0,1]=4 2188 B16R1.20229 COc1ccc(c(c1)C(=O)CC(C)C)OC 1458a_100000185243_100000210624 [0,1,0,0,0,1|1,0,0]=3 2189 B16R1.20229 COc1ccc(c(c1)C(=O)CC(C)O)OC 1458a_100000185243_100011218427 [0,1,0,0,0,1|1,0,0]=3 2190 B16R1.20229 COc1ccc(c(c1)C(=O)CC(F)F)OC 1458a_100000185243_100011934356 [0,1,0,0,0,1|2,0,0]=4 2191 B16R1.20229 COc1ccc(c(c1)C(=O)CN(C)C)OC 269982a_100102631434_100000181217 [0,1,0,0,0,1|2,0,0]=4 2192 B16R1.20229 COc1ccc(c(c1)C(=O)NC(C)C)OC 11a_100138425928_100000185243 [0,1,0,0,0,1|1,0,1]=4 2193 B16R1.20229 COc1ccc(c(c1)C(=O)NC(C)C)OC 1626a_100138425928_100000185243 [0,1,0,0,0,1|1,0,1]=4 2194 B16R1.20229 COc1ccc(c(c1)C(=O)NC(C)C)OC 240690a_100138425928_100000185243 [0,1,0,0,0,1|1,0,1]=4 2195 B16R1.20229 COc1ccc(c(c1)C(=O)NC(C)C)OC 527a_100138425928_100000185243 [0,1,0,0,0,1|1,0,1]=4 2196 B16R1.20229 COc1ccc(c(c1)C(C)NC(=O)C)OC 11a_100000203798_100015343762 [0,1,0,0,0,1|1,0,1]=4 2197 B16R1.20229 COc1ccc(c(c1)C(C)NC(=O)C)OC 1626a_100000203798_100015343762 [0,1,0,0,0,1|1,0,1]=4 2198 B16R1.20229 COc1ccc(c(c1)C(C)NC(=O)C)OC 240690a_100000203798_100015343762 [0,1,0,0,0,1|1,0,1]=4 2199 B16R1.20229 COc1ccc(c(c1)C(C)NC(=O)C)OC 527a_100000203798_100103153847 [0,1,0,0,0,1|1,0,1]=4 2200 B16R1.20229 COc1ccc(c(c1)C(C)NC(C)C)OC 2230a_100000203798_100000210206 [0,1,0,0,0,1|1,0,0]=3 2201 B16R1.20229 COc1ccc(c(c1)C(C)OC(C)C)OC 34a_100000246477_100000210206 [0,1,0,0,0,1|1,0,0]=3 2202 B16R1.20229 COc1ccc(c(c1)C(C)OC(C)C)OC 7a_100000246477_100000210206 [0,1,0,0,0,1|1,0,0]=3 2203 B16R1.20229 COc1ccc(c(c1)N(C)CC(=O)N)OC 2230a_100000221073_100000747473 [0,1,0,0,0,1|1,0,1]=4 2204 B16R1.20229 COc1ccc(c(c1)N(C)CC(=O)N)OC 269982a_100000221073_100000187820 [0,1,0,0,0,1|1,0,1]=4 2205 B16R1.20229 COc1ccc(c(c1)N(C)CC(=O)N)OC 34a_100000221073_100000187820 [0,1,0,0,0,1|1,0,1]=4 2206 B16R1.20229 COc1ccc(c(c1)N(C)CC(C)C)OC 2230a_100000221073_100000210760 [0,1,0,0,0,1|1,0,0]=3 2207 B16R1.20229 COc1ccc(c(c1)N(C)CC(C)C)OC 269982a_100000221073_100000210624 [0,1,0,0,0,1|1,0,0]=3 2208 B16R1.20229 COc1ccc(c(c1)N(C)CC(C)C)OC 34a_100000221073_100000210624 [0,1,0,0,0,1|1,0,0]=3 2209 B16R1.20229 COc1ccc(c(c1)N(C)CC(C)O)OC 2230a_100000221073_100011218427 [0,1,0,0,0,1|1,0,0]=3 2210 B16R1.20229 COc1ccc(c(c1)N(C)CC(C)O)OC 269982a_100000221073_100011218427 [0,1,0,0,0,1|1,0,0]=3 2211 B16R1.20229 COc1ccc(c(c1)N(C)CC(C)O)OC 34a_100000221073_100011218427 [0,1,0,0,0,1|1,0,0]=3 2212 B16R1.20229 COc1ccc(c(c1)N(C)CC(F)F)OC 2230a_100000221073_100011934356 [0,1,0,0,0,1|2,0,0]=4 2213 B16R1.20229 COc1ccc(c(c1)N(C)CC(F)F)OC 269982a_100000221073_100011934356 [0,1,0,0,0,1|2,0,0]=4 2214 B16R1.20229 COc1ccc(c(c1)N(C)CC(F)F)OC 34a_100000221073_100011934356 [0,1,0,0,0,1|2,0,0]=4 2215 B16R1.20229 COc1ccc(c(c1)N(C)C[C@@H](C)O)OC 2230a_100000221073_100009817552 [0,1,0,0,0,1|1,0,0]=3 2216 B16R1.20229 COc1ccc(c(c1)N(C)C[C@@H](C)O)OC 269982a_100000221073_100009817552 [0,1,0,0,0,1|1,0,0]=3 2217 B16R1.20229 COc1ccc(c(c1)N(C)C[C@@H](C)O)OC 34a_100000221073_100009817552 [0,1,0,0,0,1|1,0,0]=3 2218 B16R1.20229 COc1ccc(c(c1)[C@@H](N)CC(C)C)OC 271570a_100015190218_100011215452 [0,1,0,0,0,1|1,0,0]=3 2219 B16R1.88039 C=C(C)CSc1c(ccc(c1F)OC)OC 62a_100000748629_200016180952 [0,1,0,0,0,1|1,0,1]=4 2220 B16R1.88039 C=C(C)CSc1c(ccc(c1F)OC)OC 62a_200016180952_100000211660 [0,1,0,0,0,1|1,0,1]=4 2221 B16R1.88039 COc1ccc(c(c1F)C=CC(C)C)OC 271570a_100016257149_200016180952 [0,1,0,0,0,1|1,0,1]=4 2222 B16R1.88039 COc1ccc(c(c1F)C=CC(C)O)OC 271570a_200011019289_200016180952 [0,1,0,0,0,1|1,0,1]=4 2223 B16R1.88039 COc1ccc(c(c1F)SCC(=O)N)OC 62a_100000747473_200016180952 [0,1,0,0,0,1|1,0,1]=4 2224 B16R1.88039 COc1ccc(c(c1F)SCC(=O)N)OC 62a_200016180952_100000747473 [0,1,0,0,0,1|1,0,1]=4 2225 B16R1.88039 COc1ccc(c(c1F)SCC(C)C)OC 62a_100000210624_200016180952 [0,1,0,0,0,1|1,0,0]=3 2226 B16R1.88039 COc1ccc(c(c1F)SCC(C)C)OC 62a_200016180952_100000210760 [0,1,0,0,0,1|1,0,0]=3 2227 B16R1.88039 COc1ccc(c(c1F)SCC(C)O)OC 62a_100011218427_200016180952 [0,1,0,0,0,1|1,0,0]=3 2228 B16R1.88039 COc1ccc(c(c1F)SCC(C)O)OC 62a_200016180952_100011218427 [0,1,0,0,0,1|1,0,0]=3 2229 B16R1.88039 COc1ccc(c(c1F)SCC(F)F)OC 62a_100011934356_200016180952 [0,1,0,0,0,1|2,0,0]=4 2230 B16R1.88039 COc1ccc(c(c1F)SCC(F)F)OC 62a_200016180952_100011934356 [0,1,0,0,0,1|2,0,0]=4 2231 B16R1.88039 COc1ccc(c(c1F)SC[C@@H](C)O)OC 62a_100009817552_200016180952 [0,1,0,0,0,1|1,0,0]=3 2232 B16R1.88039 COc1ccc(c(c1F)SC[C@@H](C)O)OC 62a_200016180952_100009817552 [0,1,0,0,0,1|1,0,0]=3 2233 B16R1.88190 CCc1ccc(c(c1)CNC(C)(C)C)OC 207a_100000715429_200000117280 [0,1,0,0,0,1|2,0,0]=4 2234 B16R1.88190 CCc1ccc(c(c1)NCC(C)(C)C)OC 34a_100012035449_100011219605 [0,1,0,0,0,1|2,0,0]=4 2235 B16R1.88190 CCc1ccc(c(c1)NCC(C)(C)F)OC 34a_100012035449_100011997219 [0,1,0,0,0,1|2,0,0]=4 2236 B16R1.88190 CCc1ccc(c(c1)NCC(C)(C)O)OC 34a_100012035449_100000764493 [0,1,0,0,0,1|2,0,0]=4 2237 B16R1.88190 CCc1ccc(c(c1)OCC(C)(C)C)OC 34a_100009844796_100011219605 [0,1,0,0,0,1|2,0,0]=4 2238 B16R1.88190 CCc1ccc(c(c1)OCC(C)(C)F)OC 34a_100009844796_100011997219 [0,1,0,0,0,1|2,0,0]=4 2239 B16R1.88190 CCc1ccc(c(c1)OCC(C)(C)O)OC 34a_100009844796_100000764493 [0,1,0,0,0,1|2,0,0]=4 2240 B16R1.88190 CCc1ccc(c(c1)OCC(C)(C)O)OC 7a_100009844796_100000764493 [0,1,0,0,0,1|2,0,0]=4 2241 B16R1.88190 CCc1ccc(c(c1)SCC(C)(C)C)OC 62a_100010062400_100011219605 [0,1,0,0,0,1|2,0,0]=4 2242 B16R1.88190 CCc1ccc(c(c1)SCC(C)(C)C)OC 62a_100011219605_100010062400 [0,1,0,0,0,1|2,0,0]=4 2243 B16R1.88190 CCc1ccc(c(c1)SCC(C)(C)F)OC 62a_100010062400_100011997219 [0,1,0,0,0,1|2,0,0]=4 2244 B16R1.88190 CCc1ccc(c(c1)SCC(C)(C)F)OC 62a_100011997219_100010062400 [0,1,0,0,0,1|2,0,0]=4 2245 B16R1.88190 CCc1ccc(c(c1)SCC(C)(C)O)OC 62a_100000764493_100010062400 [0,1,0,0,0,1|2,0,0]=4 2246 B16R1.88190 CCc1ccc(c(c1)SCC(C)(C)O)OC 62a_100010062400_100000764493 [0,1,0,0,0,1|2,0,0]=4 2247 B16R1.88190 CNc1ccc(c(c1)SCC(C)(C)C)OC 62a_100011219605_114948341033 [0,1,0,0,0,1|2,0,0]=4 2248 B16R1.88190 CNc1ccc(c(c1)SCC(C)(C)C)OC 62a_114948341033_100011219605 [0,1,0,0,0,1|2,0,0]=4 2249 B16R1.88190 CNc1ccc(c(c1)SCC(C)(C)F)OC 62a_100011997219_114948341033 [0,1,0,0,0,1|2,0,0]=4 2250 B16R1.88190 CNc1ccc(c(c1)SCC(C)(C)F)OC 62a_114948341033_100011997219 [0,1,0,0,0,1|2,0,0]=4 2251 B16R1.88190 CNc1ccc(c(c1)SCC(C)(C)O)OC 62a_100000764493_114948341033 [0,1,0,0,0,1|2,0,0]=4 2252 B16R1.88190 CNc1ccc(c(c1)SCC(C)(C)O)OC 62a_114948341033_100000764493 [0,1,0,0,0,1|2,0,0]=4 2253 B16R1.88190 COc1ccc(c(c1)C=CC(C)(C)C)OC 271570a_100102527731_100011215452 [0,1,0,0,0,1|1,0,1]=4 2254 B16R1.88190 COc1ccc(c(c1)C=CC(C)(C)O)OC 271570a_200016258132_100011215452 [0,1,0,0,0,1|1,0,1]=4 2255 B16R1.88190 COc1ccc(c(c1)CNC(C)(C)C)OC 207a_100000715429_100000170336 [0,1,0,0,0,1|1,0,0]=3 2256 B16R1.88190 COc1ccc(c(c1)CNC(C)(C)C)OC 34a_100000185951_100000210625 [0,1,0,0,0,1|1,0,0]=3 2257 B16R1.88190 COc1ccc(c(c1)CNC(F)(F)F)OC 34a_100000185951_200103152311 [0,1,0,0,0,1|2,0,0]=4 2258 B16R1.88190 COc1ccc(c(c1)CNS(=O)(=O)C)OC 40a_100000185951_100000738038 [0,1,0,0,0,1|2,0,0]=4 2259 B16R1.88190 COc1ccc(c(c1)COC(C)(C)C)OC 34a_100000212306_100000210625 [0,1,0,0,0,1|1,0,0]=3 2260 B16R1.88190 COc1ccc(c(c1)COC(C)(C)C)OC 34a_100015890283_100011233847 [0,1,0,0,0,1|1,0,0]=3 2261 B16R1.88190 COc1ccc(c(c1)COC(C)(C)C)OC 7a_100015890283_100000205131 [0,1,0,0,0,1|1,0,0]=3 2262 B16R1.88190 COc1ccc(c(c1)COC(F)(F)F)OC 34a_100000212306_200103152311 [0,1,0,0,0,1|2,0,0]=4 2263 B16R1.88190 COc1ccc(c(c1)CSC(C)(C)C)OC 62a_100000205131_100000211941 [0,1,0,0,0,1|1,0,0]=3 2264 B16R1.88190 COc1ccc(c(c1)CSC(C)(C)C)OC 62a_100000211941_100011233847 [0,1,0,0,0,1|1,0,0]=3 2265 B16R1.88190 COc1ccc(c(c1)CSC(F)(F)F)OC 62a_100000205131_200103152311 [0,1,0,0,0,1|2,0,0]=4 2266 B16R1.88190 COc1ccc(c(c1)CSC(F)(F)F)OC 62a_200000243211_100011233847 [0,1,0,0,0,1|2,0,0]=4 2267 B16R1.88190 COc1ccc(c(c1)NCC(C)(C)C)OC 34a_100000184736_100011219605 [0,1,0,0,0,1|1,0,0]=3 2268 B16R1.88190 COc1ccc(c(c1)NCC(C)(C)F)OC 34a_100000184736_100011997219 [0,1,0,0,0,1|1,0,0]=3 2269 B16R1.88190 COc1ccc(c(c1)NCC(C)(C)O)OC 34a_100000184736_100000764493 [0,1,0,0,0,1|1,0,0]=3 2270 B16R1.88190 COc1ccc(c(c1)NCC(F)(F)F)OC 2230a_100000184736_100000763148 [0,1,0,0,0,1|2,0,0]=4 2271 B16R1.88190 COc1ccc(c(c1)NC[Si](C)(C)C)OC 2230a_100000184736_100000037933 [0,1,0,0,0,1|1,1,0]=4 2272 B16R1.88190 COc1ccc(c(c1)OCC(C)(C)C)OC 34a_100000074795_100011219605 [0,1,0,0,0,1|1,0,0]=3 2273 B16R1.88190 COc1ccc(c(c1)OCC(C)(C)F)OC 34a_100000074795_100011997219 [0,1,0,0,0,1|1,0,0]=3 2274 B16R1.88190 COc1ccc(c(c1)OCC(C)(C)O)OC 34a_100000074795_100000764493 [0,1,0,0,0,1|1,0,0]=3 2275 B16R1.88190 COc1ccc(c(c1)SCC(C)(C)C)OC 62a_100011215452_100011219605 [0,1,0,0,0,1|1,0,0]=3 2276 B16R1.88190 COc1ccc(c(c1)SCC(C)(C)C)OC 62a_100011219605_100011215452 [0,1,0,0,0,1|1,0,0]=3 2277 B16R1.88190 COc1ccc(c(c1)SCC(C)(C)F)OC 62a_100011215452_100011997219 [0,1,0,0,0,1|1,0,0]=3 2278 B16R1.88190 COc1ccc(c(c1)SCC(C)(C)F)OC 62a_100011997219_100011215452 [0,1,0,0,0,1|1,0,0]=3 2279 B16R1.88190 COc1ccc(c(c1)SCC(C)(C)O)OC 62a_100000764493_100011215452 [0,1,0,0,0,1|1,0,0]=3 2280 B16R1.88190 COc1ccc(c(c1)SCC(C)(C)O)OC 62a_100011215452_100000764493 [0,1,0,0,0,1|1,0,0]=3 2281 B16R1.88190 COc1ccc(c(c1)SCC(F)(F)F)OC 62a_100000763148_100011215452 [0,1,0,0,0,1|2,0,0]=4 2282 B16R1.88190 COc1ccc(c(c1)SCC(F)(F)F)OC 62a_100011215452_100000763148 [0,1,0,0,0,1|2,0,0]=4 2283 B16R1.88190 COc1ccc(c(c1)SCS(=O)(=O)N)OC 62a_100000741382_100011215452 [0,1,0,0,0,1|2,0,0]=4 2284 B16R1.88190 COc1ccc(c(c1)SCS(=O)(=O)N)OC 62a_100011215452_100000741382 [0,1,0,0,0,1|2,0,0]=4 2285 B16R1.88190 COc1ccc(c(c1)SC[N+](C)(C)C)OC 62a_100011215452_200000036245 [0,1,0,0,0,1|2,0,0]=4 2286 B16R1.88190 COc1ccc(c(c1)SC[N+](C)(C)C)OC 62a_200000036245_100011215452 [0,1,0,0,0,1|2,0,0]=4 2287 B16R1.88190 COc1ccc(c(c1)SC[Si](C)(C)C)OC 62a_100000037933_100011215452 [0,1,0,0,0,1|1,1,0]=4 2288 B16R1.88190 COc1ccc(c(c1)SC[Si](C)(C)C)OC 62a_100011215452_100000037933 [0,1,0,0,0,1|1,1,0]=4 2289 B16R1.20211 COC(=O)c1ccc(cc1CC(=O)C)OC 1458a_100000070787_100010138730 [0,2,0,0,0,0|1,0,1]=4 2290 B16R1.20211 COC(=O)c1ccc(cc1CN(C)C)OC 2230a_100102631434_100010138730 [0,2,0,0,0,0|2,0,0]=4 2291 B16R1.20211 COC(=O)c1ccc(cc1CN(C)C)OC 269982a_100102631434_100010138730 [0,2,0,0,0,0|2,0,0]=4 2292 B16R1.20211 COC(=O)c1ccc(cc1OC(C)C)OC 34a_100000151117_100000210206 [0,2,0,0,0,0|2,0,0]=4 2293 B16R1.20211 COC(=O)c1ccc(cc1OC(C)C)OC 7a_100000151117_100000210206 [0,2,0,0,0,0|2,0,0]=4 2294 B16R1.20211 COC(=O)c1ccc(cc1SC(C)C)OC 62a_100000210206_100009815674 [0,2,0,0,0,0|2,0,0]=4 2295 B16R1.20211 COC(=O)c1ccc(cc1SC(C)C)OC 62a_100009815674_100000210206 [0,2,0,0,0,0|2,0,0]=4 2296 B16R1.14456 C#CC(C)Nc1cc(cc(c1OC)Br)OC 34a_100010294495_200000035995 [0,2,0,0,0,0|2,0,0]=4 2297 B16R1.14456 C#CC(C)Oc1cc(cc(c1OC)Br)OC 34a_200020900881_200000035995 [0,2,0,0,0,0|2,0,0]=4 2298 B16R1.14456 C#CC(C)Sc1cc(cc(c1OC)N)OC 62a_200000035995_100010294495 [0,2,0,0,0,0|2,0,0]=4 2299 B16R1.14456 C#CC(C)Sc1cc(cc(c1OC)O)OC 62a_200000035995_200020900881 [0,2,0,0,0,0|2,0,0]=4 2300 B16R1.14456 C=CC(C)Sc1cc(cc(c1OC)N)OC 62a_100011215867_100010294495 [0,2,0,0,0,0|2,0,0]=4 2301 B16R1.14456 C=CC(C)Sc1cc(cc(c1OC)O)OC 62a_100011215867_200020900881 [0,2,0,0,0,0|2,0,0]=4 2302 B16R1.14456 CCC(C)Nc1cc(cc(c1OC)Br)OC 34a_100010294495_100011215416 [0,2,0,0,0,0|2,0,0]=4 2303 B16R1.14456 CCC(C)Oc1cc(cc(c1OC)Br)OC 34a_200020900881_100011215416 [0,2,0,0,0,0|2,0,0]=4 2304 B16R1.14456 CCC(C)Sc1cc(cc(c1OC)N)OC 62a_100000758301_100010294495 [0,2,0,0,0,0|2,0,0]=4 2305 B16R1.14456 CCC(C)Sc1cc(cc(c1OC)N)OC 62a_100010294495_100000758301 [0,2,0,0,0,0|2,0,0]=4 2306 B16R1.14456 CCC(C)Sc1cc(cc(c1OC)O)OC 62a_100000758301_200020900881 [0,2,0,0,0,0|2,0,0]=4 2307 B16R1.14456 CCN(C)Cc1cc(cc(c1OC)Br)OC 26a_100000225621_200020900881 [0,2,0,0,0,0|2,0,0]=4 2308 B16R1.14456 COc1cc(c(c(c1)NC(C)CO)OC)Br 34a_100010294495_100012180447 [0,2,0,0,0,0|2,0,0]=4 2309 B16R1.14456 COc1cc(c(c(c1)OC(C)CO)OC)Br 34a_200020900881_100012180447 [0,2,0,0,0,0|2,0,0]=4 2310 B16R1.14456 COc1cc(c(c(c1)SC(C)C#N)OC)N 62a_100000703298_100010294495 [0,2,0,0,0,0|1,0,1]=4 2311 B16R1.14456 COc1cc(c(c(c1)SC(C)C#N)OC)N 62a_100010294495_100000703298 [0,2,0,0,0,0|1,0,1]=4 2312 B16R1.14456 COc1cc(c(c(c1)SC(C)C#N)OC)O 62a_100000703298_200020900881 [0,2,0,0,0,0|1,0,1]=4 2313 B16R1.14456 COc1cc(c(c(c1)SC(C)CO)OC)N 62a_100012180447_100010294495 [0,2,0,0,0,0|2,0,0]=4 2314 B16R1.14456 COc1cc(c(c(c1)SC(C)CO)OC)O 62a_100012180447_200020900881 [0,2,0,0,0,0|2,0,0]=4 2315 B16R1.14456 COc1cc(c(c(c1)SC(C)OC)OC)N 62a_100009879195_100010294495 [0,2,0,0,0,0|2,0,0]=4 2316 B16R1.14456 COc1cc(c(c(c1)SC(C)OC)OC)N 62a_100010294495_100009879195 [0,2,0,0,0,0|2,0,0]=4 2317 B16R1.14456 COc1cc(c(c(c1)SC(C)OC)OC)O 62a_100009879195_200020900881 [0,2,0,0,0,0|2,0,0]=4 2318 B16R1.14456 COc1cc(c(c(c1)S[C@H](C)CO)OC)N 62a_100010294495_100016084084 [0,2,0,0,0,0|2,0,0]=4 2319 B16R1.14456 COc1cc(c(c(c1)S[C@H](C)CO)OC)N 62a_100016084084_100010294495 [0,2,0,0,0,0|2,0,0]=4 2320 B16R1.14456 COc1cc(c(c(c1)S[C@H](C)CO)OC)O 62a_100016084084_200020900881 [0,2,0,0,0,0|2,0,0]=4 2321 B16R1.14588 COc1cc(c(c(c1)NC(C)(C)C)OC)Br 34a_100010294495_100000210625 [0,2,0,0,0,0|2,0,0]=4 2322 B16R1.14588 COc1cc(c(c(c1)OC(C)(C)C)OC)Br 34a_200020900881_100000210625 [0,2,0,0,0,0|2,0,0]=4 2323 B16R1.14588 COc1cc(c(c(c1)SC(C)(C)C)OC)N 62a_100000211941_100010294495 [0,2,0,0,0,0|2,0,0]=4 2324 B16R1.14588 COc1cc(c(c(c1)SC(C)(C)C)OC)N 62a_100010294495_100000211941 [0,2,0,0,0,0|2,0,0]=4 2325 B16R1.14588 COc1cc(c(c(c1)SC(C)(C)C)OC)O 62a_100000211941_200020900881 [0,2,0,0,0,0|2,0,0]=4 2326 B16R1.20043 CCc1cc(c(cc1OC)CN(C)C)OC 270004a_100102631434_200000092834 [0,2,0,0,0,0|2,0,0]=4 2327 B16R1.20043 COc1cc(c(cc1C=O)OC)SC(C)C 62a_100000188581_100000210206 [0,2,0,0,0,0|2,0,0]=4 2328 B16R1.20043 COc1cc(c(cc1CN(C)C)OC)OC 270004a_100102631434_100000210981 [0,2,0,0,0,0|2,0,0]=4 2329 B16R1.20083 COc1cc(c(cc1Br)OC)OC(C)(C)C 34a_100009816818_100000210625 [0,2,0,0,0,0|2,0,0]=4 2330 B16R1.20083 COc1cc(c(cc1Br)OC)SC(C)(C)C 62a_100000211941_100013799044 [0,2,0,0,0,0|2,0,0]=4 2331 B16R1.20083 COc1cc(c(cc1Br)OC)SC(C)(C)C 62a_100013799044_100000211941 [0,2,0,0,0,0|2,0,0]=4 2332 B16R1.20083 COc1cc(c(cc1C)OC)SC(C)(C)C 62a_100000039368_100000211941 [0,2,0,0,0,0|2,0,0]=4 2333 B16R1.20083 COc1cc(c(cc1C)OC)SC(C)(C)C 62a_100000211941_100000039368 [0,2,0,0,0,0|2,0,0]=4 2334 B16R1.20083 COc1cc(c(cc1Cl)OC)NC(C)(C)C 34a_100000179761_100000210625 [0,2,0,0,0,0|2,0,0]=4 2335 B16R1.20083 COc1cc(c(cc1Cl)OC)SC(C)(C)C 62a_100000023288_100000211941 [0,2,0,0,0,0|2,0,0]=4 2336 B16R1.20083 COc1cc(c(cc1Cl)OC)SC(C)(C)C 62a_100000211941_100000023288 [0,2,0,0,0,0|2,0,0]=4 2337 B16R1.20087 C#CC(C)Nc1cc(c(cc1OC)Cl)OC 34a_100000179761_200000035995 [0,2,0,0,0,0|2,0,0]=4 2338 B16R1.20087 C#CC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_200000035995 [0,2,0,0,0,0|2,0,0]=4 2339 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)Br)OC 62a_200000035995_100013799044 [0,2,0,0,0,0|2,0,0]=4 2340 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)C)OC 62a_200000035995_100000039368 [0,2,0,0,0,0|2,0,0]=4 2341 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)Cl)OC 62a_200000035995_100000023288 [0,2,0,0,0,0|2,0,0]=4 2342 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)Br)OC 62a_100011215867_100013799044 [0,2,0,0,0,0|2,0,0]=4 2343 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)C)OC 62a_100011215867_100000039368 [0,2,0,0,0,0|2,0,0]=4 2344 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100011215867_100000023288 [0,2,0,0,0,0|2,0,0]=4 2345 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000758301 [0,2,0,0,0,0|2,0,0]=4 2346 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 34a_100000179761_100011215416 [0,2,0,0,0,0|2,0,0]=4 2347 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100011215416 [0,2,0,0,0,0|2,0,0]=4 2348 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000758301 [0,2,0,0,0,0|2,0,0]=4 2349 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100000758301_100013799044 [0,2,0,0,0,0|2,0,0]=4 2350 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000758301 [0,2,0,0,0,0|2,0,0]=4 2351 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000039368_100000758301 [0,2,0,0,0,0|2,0,0]=4 2352 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000758301_100000039368 [0,2,0,0,0,0|2,0,0]=4 2353 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000758301 [0,2,0,0,0,0|2,0,0]=4 2354 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000758301_100000023288 [0,2,0,0,0,0|2,0,0]=4 2355 B16R1.20087 CCN(C)Cc1cc(c(cc1OC)Br)OC 26a_100000225621_100009816818 [0,2,0,0,0,0|2,0,0]=4 2356 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)C#N 7a_100009816818_100000703298 [0,2,0,0,0,0|1,0,1]=4 2357 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 34a_100009816818_100012180447 [0,2,0,0,0,0|2,0,0]=4 2358 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 7a_100009816818_100012180447 [0,2,0,0,0,0|2,0,0]=4 2359 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)C#N 62a_100000703298_100013799044 [0,2,0,0,0,0|1,0,1]=4 2360 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)C#N 62a_100013799044_100000703298 [0,2,0,0,0,0|1,0,1]=4 2361 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)CO 62a_100012180447_100013799044 [0,2,0,0,0,0|2,0,0]=4 2362 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)OC 62a_100009879195_100013799044 [0,2,0,0,0,0|2,0,0]=4 2363 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)OC 62a_100013799044_100009879195 [0,2,0,0,0,0|2,0,0]=4 2364 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100013799044_100016084084 [0,2,0,0,0,0|2,0,0]=4 2365 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100016084084_100013799044 [0,2,0,0,0,0|2,0,0]=4 2366 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)C#N 62a_100000039368_100000703298 [0,2,0,0,0,0|1,0,1]=4 2367 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)C#N 62a_100000703298_100000039368 [0,2,0,0,0,0|1,0,1]=4 2368 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)CO 62a_100012180447_100000039368 [0,2,0,0,0,0|2,0,0]=4 2369 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)OC 62a_100000039368_100009879195 [0,2,0,0,0,0|2,0,0]=4 2370 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)OC 62a_100009879195_100000039368 [0,2,0,0,0,0|2,0,0]=4 2371 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100000039368_100016084084 [0,2,0,0,0,0|2,0,0]=4 2372 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100016084084_100000039368 [0,2,0,0,0,0|2,0,0]=4 2373 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)C#N 2230a_100000179761_100000184139 [0,2,0,0,0,0|1,0,1]=4 2374 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 2230a_100000179761_100012180447 [0,2,0,0,0,0|2,0,0]=4 2375 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 34a_100000179761_100012180447 [0,2,0,0,0,0|2,0,0]=4 2376 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)C#N 62a_100000023288_100000703298 [0,2,0,0,0,0|1,0,1]=4 2377 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)C#N 62a_100000703298_100000023288 [0,2,0,0,0,0|1,0,1]=4 2378 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)CO 62a_100012180447_100000023288 [0,2,0,0,0,0|2,0,0]=4 2379 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)OC 62a_100000023288_100009879195 [0,2,0,0,0,0|2,0,0]=4 2380 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)OC 62a_100009879195_100000023288 [0,2,0,0,0,0|2,0,0]=4 2381 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100000023288_100016084084 [0,2,0,0,0,0|2,0,0]=4 2382 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100016084084_100000023288 [0,2,0,0,0,0|2,0,0]=4 2383 B16R1.20146 C#CC(C)Sc1c(ccc(c1F)OC)OC 62a_200000035995_200016180952 [0,2,0,0,0,0|2,0,0]=4 2384 B16R1.20146 C=CC(C)Sc1c(ccc(c1F)OC)OC 62a_100011215867_200016180952 [0,2,0,0,0,0|2,0,0]=4 2385 B16R1.20146 CCC(C)Sc1c(ccc(c1F)OC)OC 62a_100000758301_200016180952 [0,2,0,0,0,0|2,0,0]=4 2386 B16R1.20146 CCC(C)Sc1c(ccc(c1F)OC)OC 62a_200016180952_100000758301 [0,2,0,0,0,0|2,0,0]=4 2387 B16R1.20146 COc1ccc(c(c1F)SC(C)C#N)OC 62a_100000703298_200016180952 [0,2,0,0,0,0|1,0,1]=4 2388 B16R1.20146 COc1ccc(c(c1F)SC(C)C#N)OC 62a_200016180952_100000703298 [0,2,0,0,0,0|1,0,1]=4 2389 B16R1.20146 COc1ccc(c(c1F)SC(C)CO)OC 62a_100012180447_200016180952 [0,2,0,0,0,0|2,0,0]=4 2390 B16R1.20146 COc1ccc(c(c1F)SC(C)OC)OC 62a_100009879195_200016180952 [0,2,0,0,0,0|2,0,0]=4 2391 B16R1.20146 COc1ccc(c(c1F)SC(C)OC)OC 62a_200016180952_100009879195 [0,2,0,0,0,0|2,0,0]=4 2392 B16R1.20146 COc1ccc(c(c1F)S[C@H](C)CO)OC 62a_100016084084_200016180952 [0,2,0,0,0,0|2,0,0]=4 2393 B16R1.20146 COc1ccc(c(c1F)S[C@H](C)CO)OC 62a_200016180952_100016084084 [0,2,0,0,0,0|2,0,0]=4 2394 B16R1.88036 COc1ccc(c(c1F)SC(C)(C)C)OC 62a_100000211941_200016180952 [0,2,0,0,0,0|2,0,0]=4 2395 B16R1.88036 COc1ccc(c(c1F)SC(C)(C)C)OC 62a_200016180952_100000211941 [0,2,0,0,0,0|2,0,0]=4 2396 B16R1.20148 C#CC(C)C(=O)c1cc(ccc1OC)OC 1458a_100000185243_200000035995 [0,2,0,0,0,0|1,0,1]=4 2397 B16R1.20148 C#CC(C)N(C)c1cc(ccc1OC)OC 34a_100000221073_200000035995 [0,2,0,0,0,0|2,0,0]=4 2398 B16R1.20148 C=CC(C)N(C)c1cc(ccc1OC)OC 269982a_100000221073_100011215867 [0,2,0,0,0,0|2,0,0]=4 2399 B16R1.20148 CCC(C)C(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000758301 [0,2,0,0,0,0|1,0,1]=4 2400 B16R1.20148 CCC(C)N(C)c1cc(ccc1OC)OC 2230a_100000221073_100000758301 [0,2,0,0,0,0|2,0,0]=4 2401 B16R1.20148 CCC(C)N(C)c1cc(ccc1OC)OC 269982a_100000221073_100000758301 [0,2,0,0,0,0|2,0,0]=4 2402 B16R1.20148 CCC(C)N(C)c1cc(ccc1OC)OC 34a_100000221073_100011215416 [0,2,0,0,0,0|2,0,0]=4 2403 B16R1.20148 COc1ccc(c(c1)C(=O)C(C)C#N)OC 1458a_100000185243_100000703298 [0,2,0,0,0,0|0,0,2]=4 2404 B16R1.20148 COc1ccc(c(c1)N(C)C(C)C#N)OC 2230a_100000221073_100000184139 [0,2,0,0,0,0|1,0,1]=4 2405 B16R1.20148 COc1ccc(c(c1)N(C)C(C)C#N)OC 269982a_100000221073_100000703298 [0,2,0,0,0,0|1,0,1]=4 2406 B16R1.20148 COc1ccc(c(c1)N(C)C(C)CO)OC 2230a_100000221073_100012180447 [0,2,0,0,0,0|2,0,0]=4 2407 B16R1.20148 COc1ccc(c(c1)N(C)C(C)CO)OC 34a_100000221073_100012180447 [0,2,0,0,0,0|2,0,0]=4 2408 B16R1.20148 COc1ccc(c(c1)N(C)C(C)OC)OC 269982a_100000221073_100009879195 [0,2,0,0,0,0|2,0,0]=4 2409 B16R1.20148 COc1ccc(c(c1)N(C)[C@H](C)CO)OC 269982a_100000221073_100016084084 [0,2,0,0,0,0|2,0,0]=4 2410 B16R1.88028 COc1ccc(c(c1)N(C)C(C)(C)C)OC 269982a_100000221073_100000210625 [0,2,0,0,0,0|2,0,0]=4 2411 B16R1.88028 COc1ccc(c(c1)N(C)C(C)(C)C)OC 34a_100000221073_100000210625 [0,2,0,0,0,0|2,0,0]=4 2412 B16R1.1518 C#CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000184674 [0,2,0,0,0,0|1,0,1]=4 2413 B16R1.1518 C#CCC(=O)Cc1cc(ccc1OC)OC 1458a_100011220946_100000205131 [0,2,0,0,0,0|1,0,1]=4 2414 B16R1.1518 C#CCN(C)Cc1cc(ccc1OC)OC 26a_100000225692_100000074795 [0,2,0,0,0,0|2,0,0]=4 2415 B16R1.1518 C#CCN(C)Cc1cc(ccc1OC)OC 270004a_100000225692_100000170336 [0,2,0,0,0,0|2,0,0]=4 2416 B16R1.1518 C#CCN(C)Cc1cc(ccc1OC)OC 34a_100000225692_100011233847 [0,2,0,0,0,0|2,0,0]=4 2417 B16R1.1518 C=CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000210193_100000205131 [0,2,0,0,0,0|1,0,1]=4 2418 B16R1.1518 C=CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000210623 [0,2,0,0,0,0|1,0,1]=4 2419 B16R1.1518 C=CCN(C)Cc1cc(ccc1OC)OC 269982a_100000225617_100011233847 [0,2,0,0,0,0|2,0,0]=4 2420 B16R1.1518 C=CCN(C)Cc1cc(ccc1OC)OC 26a_100000225617_100000074795 [0,2,0,0,0,0|2,0,0]=4 2421 B16R1.1518 C=CCN(C)Cc1cc(ccc1OC)OC 270004a_100000225617_100000170336 [0,2,0,0,0,0|2,0,0]=4 2422 B16R1.1518 CC#CC(=O)Cc1cc(ccc1OC)OC 1458a_100000763181_100000205131 [0,2,0,0,0,0|1,0,1]=4 2423 B16R1.1518 CC=CC(=O)Cc1cc(ccc1OC)OC 1458a_100000210699_100000205131 [0,2,0,0,0,0|1,0,1]=4 2424 B16R1.1518 CCCC(=O)Cc1cc(ccc1OC)OC 1458a_100000211992_100000205131 [0,2,0,0,0,0|1,0,1]=4 2425 B16R1.1518 CCCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000210303 [0,2,0,0,0,0|1,0,1]=4 2426 B16R1.1518 CCCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000766640 [0,2,0,0,0,0|2,0,0]=4 2427 B16R1.1518 CCCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100000766640 [0,2,0,0,0,0|2,0,0]=4 2428 B16R1.1518 CCCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100000766640 [0,2,0,0,0,0|2,0,0]=4 2429 B16R1.1518 CCCC(C)Sc1cc(ccc1OC)OC 62a_100000766640_100011215452 [0,2,0,0,0,0|2,0,0]=4 2430 B16R1.1518 CCCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000766640 [0,2,0,0,0,0|2,0,0]=4 2431 B16R1.1518 CCCN(C)Cc1cc(ccc1OC)OC 269982a_100000747261_100011233847 [0,2,0,0,0,0|2,0,0]=4 2432 B16R1.1518 CCCN(C)Cc1cc(ccc1OC)OC 26a_100000747261_100000074795 [0,2,0,0,0,0|2,0,0]=4 2433 B16R1.1518 CCCN(C)Cc1cc(ccc1OC)OC 270004a_100000747261_100000170336 [0,2,0,0,0,0|2,0,0]=4 2434 B16R1.1518 CCNC(=O)Cc1cc(ccc1OC)OC 11a_100015525214_100000212042 [0,2,0,0,0,0|1,0,1]=4 2435 B16R1.1518 CCNC(=O)Cc1cc(ccc1OC)OC 240690a_100015525214_100000212042 [0,2,0,0,0,0|1,0,1]=4 2436 B16R1.1518 CCNC(=O)Cc1cc(ccc1OC)OC 527a_100015525214_100000212042 [0,2,0,0,0,0|1,0,1]=4 2437 B16R1.1518 CNNC(=O)Cc1cc(ccc1OC)OC 22a_100016993582_100000212042 [0,2,0,0,0,0|1,0,1]=4 2438 B16R1.1518 COCC(=O)Cc1cc(ccc1OC)OC 1458a_100000210968_100000205131 [0,2,0,0,0,0|1,0,1]=4 2439 B16R1.1518 COCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000765312 [0,2,0,0,0,0|2,0,0]=4 2440 B16R1.1518 COCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100000765312 [0,2,0,0,0,0|2,0,0]=4 2441 B16R1.1518 COCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100000765312 [0,2,0,0,0,0|2,0,0]=4 2442 B16R1.1518 COCC(C)Sc1cc(ccc1OC)OC 62a_100000765312_100011215452 [0,2,0,0,0,0|2,0,0]=4 2443 B16R1.1518 COCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000765312 [0,2,0,0,0,0|2,0,0]=4 2444 B16R1.1518 COc1ccc(c(c1)CC(=O)CC#N)OC 1458a_100000212042_100011214920 [0,2,0,0,0,0|1,0,1]=4 2445 B16R1.1518 COc1ccc(c(c1)CC(=O)CC#N)OC 1458a_100051588842_100000205131 [0,2,0,0,0,0|1,0,1]=4 2446 B16R1.1518 COc1ccc(c(c1)CC(=O)CCF)OC 1458a_100000212042_100011217306 [0,2,0,0,0,0|1,0,1]=4 2447 B16R1.1518 COc1ccc(c(c1)CC(=O)CCO)OC 1458a_100000212042_100000211926 [0,2,0,0,0,0|1,0,1]=4 2448 B16R1.1518 COc1ccc(c(c1)CC(=O)CCO)OC 1458a_100011216618_100000205131 [0,2,0,0,0,0|1,0,1]=4 2449 B16R1.1518 COc1ccc(c(c1)CC(=O)CSC)OC 1458a_100000184570_100000205131 [0,2,0,0,0,0|1,0,1]=4 2450 B16R1.1518 COc1ccc(c(c1)CN(C)CC#N)OC 26a_100000748184_100000074795 [0,2,0,0,0,0|1,0,1]=4 2451 B16R1.1518 COc1ccc(c(c1)CN(C)CCO)OC 269982a_100000210263_100011233847 [0,2,0,0,0,0|2,0,0]=4 2452 B16R1.1518 COc1ccc(c(c1)CN(C)CCO)OC 26a_100000210263_100000074795 [0,2,0,0,0,0|2,0,0]=4 2453 B16R1.1518 COc1ccc(c(c1)CN(C)CCO)OC 270004a_100000210263_100000170336 [0,2,0,0,0,0|2,0,0]=4 2454 B16R1.1518 COc1ccc(c(c1)NC(C)CC#N)OC 2230a_100000184736_100009813641 [0,2,0,0,0,0|1,0,1]=4 2455 B16R1.1518 COc1ccc(c(c1)NC(C)CCO)OC 2230a_100000184736_100009893172 [0,2,0,0,0,0|2,0,0]=4 2456 B16R1.1518 COc1ccc(c(c1)NC(C)CCO)OC 34a_100000184736_100009893172 [0,2,0,0,0,0|2,0,0]=4 2457 B16R1.1518 COc1ccc(c(c1)OC(C)CCO)OC 34a_100000074795_100009893172 [0,2,0,0,0,0|2,0,0]=4 2458 B16R1.1518 COc1ccc(c(c1)SC(C)CC#N)OC 62a_100009813641_100011215452 [0,2,0,0,0,0|1,0,1]=4 2459 B16R1.1518 COc1ccc(c(c1)SC(C)CC#N)OC 62a_100011215452_100009813641 [0,2,0,0,0,0|1,0,1]=4 2460 B16R1.1518 COc1ccc(c(c1)SC(C)CCO)OC 62a_100009893172_100011215452 [0,2,0,0,0,0|2,0,0]=4 2461 B16R1.1518 COc1ccc(c(c1)SC(C)CCO)OC 62a_100011215452_100009893172 [0,2,0,0,0,0|2,0,0]=4 2462 B16R1.5667 CCC(CC)Sc1cc(ccc1OC)OC 62a_100000210505_100011215452 [0,2,0,0,0,0|2,0,0]=4 2463 B16R1.5667 CCC(CC)Sc1cc(ccc1OC)OC 62a_100011215452_100000210505 [0,2,0,0,0,0|2,0,0]=4 2464 B16R1.5667 CCN(CC)Cc1cc(ccc1OC)OC 269956a_100000042499_100011233847 [0,2,0,0,0,0|2,0,0]=4 2465 B16R1.5667 CCN(CC)Cc1cc(ccc1OC)OC 269982a_100000724800_100011233847 [0,2,0,0,0,0|2,0,0]=4 2466 B16R1.5667 CCN(CC)Cc1cc(ccc1OC)OC 270004a_100000724800_100000170336 [0,2,0,0,0,0|2,0,0]=4 2467 B16R1.5673 C#CC(C)(C)Nc1cc(ccc1OC)OC 34a_100000184736_100000038118 [0,2,0,0,0,0|2,0,0]=4 2468 B16R1.5673 C#CC(C)(C)Oc1cc(ccc1OC)OC 34a_100000074795_100000038118 [0,2,0,0,0,0|2,0,0]=4 2469 B16R1.5673 C#CC(C)(C)Sc1cc(ccc1OC)OC 62a_100000038118_100011215452 [0,2,0,0,0,0|2,0,0]=4 2470 B16R1.5673 C#CC(C)(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000038118 [0,2,0,0,0,0|2,0,0]=4 2471 B16R1.5673 CCC(C)(C)Sc1cc(ccc1OC)OC 62a_100000032637_100011215452 [0,2,0,0,0,0|2,0,0]=4 2472 B16R1.5673 CCC(C)(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000032637 [0,2,0,0,0,0|2,0,0]=4 2473 B16R1.5673 COc1ccc(c(c1)NC(C)(C)C#N)OC 34a_100000184736_100011162410 [0,2,0,0,0,0|1,0,1]=4 2474 B16R1.5673 COc1ccc(c(c1)OC(C)(C)C#N)OC 34a_100000074795_100011162410 [0,2,0,0,0,0|1,0,1]=4 2475 B16R1.5673 COc1ccc(c(c1)SC(C)(C)C#N)OC 62a_100011162410_100011215452 [0,2,0,0,0,0|1,0,1]=4 2476 B16R1.5673 COc1ccc(c(c1)SC(C)(C)C#N)OC 62a_100011215452_100011162410 [0,2,0,0,0,0|1,0,1]=4 2477 B16R1.5673 COc1ccc(c(c1)SC(F)(F)CO)OC 62a_100011215452_100011217949 [0,2,0,0,0,0|2,0,0]=4 2478 B16R1.5673 COc1ccc(c(c1)SC(F)(F)CO)OC 62a_100011217949_100011215452 [0,2,0,0,0,0|2,0,0]=4 2479 B16R1.4312 COC(=O)c1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_200010762020 [0,2,0,0,0,0|1,0,1]=4 2480 B16R1.4312 COC(=O)c1ccc(c(c1)CN(C)C)OC 2230a_100102631434_200010762020 [0,2,0,0,0,0|2,0,0]=4 2481 B16R1.4312 COC(=O)c1ccc(c(c1)CN(C)C)OC 269982a_100102631434_200010762020 [0,2,0,0,0,0|2,0,0]=4 2482 B16R1.4312 COC(=O)c1ccc(c(c1)CN(C)C)OC 270004a_100102631434_100000059354 [0,2,0,0,0,0|2,0,0]=4 2483 B16R1.4312 COC(=O)c1ccc(c(c1)OC(C)C)OC 34a_100011215032_100000210206 [0,2,0,0,0,0|2,0,0]=4 2484 B16R1.4312 COC(=O)c1ccc(c(c1)OC(C)C)OC 7a_100011215032_100000210206 [0,2,0,0,0,0|2,0,0]=4 2485 B16R1.4312 COC(=O)c1ccc(c(c1)SC(C)C)OC 62a_100000189012_100000210206 [0,2,0,0,0,0|2,0,0]=4 2486 B16R1.4312 COC(=O)c1ccc(c(c1)SC(C)C)OC 62a_100000210206_100000189012 [0,2,0,0,0,0|2,0,0]=4 2487 B16R1.5188 C#CCOc1ccc(cc1CC(=O)C)OC 34a_200000075431_100000184674 [0,2,0,0,0,0|1,0,1]=4 2488 B16R1.5188 C#CCOc1ccc(cc1CC(=O)C)OC 7a_200000075431_100000038162 [0,2,0,0,0,0|1,0,1]=4 2489 B16R1.5188 C=CCOc1ccc(cc1CC(=O)C)OC 34a_200000075431_100015514636 [0,2,0,0,0,0|1,0,1]=4 2490 B16R1.5188 C=CCOc1ccc(cc1CC(=O)C)OC 7a_200000075431_100015514636 [0,2,0,0,0,0|1,0,1]=4 2491 B16R1.5188 CCCOc1ccc(cc1CC(=O)C)OC 34a_200000075431_100000210303 [0,2,0,0,0,0|1,0,1]=4 2492 B16R1.5188 CCCOc1ccc(cc1CC(=O)C)OC 7a_200000075431_100000210303 [0,2,0,0,0,0|1,0,1]=4 2493 B16R1.5188 COCOc1ccc(cc1SC(C)C)OC 62a_100000210206_200013022666 [0,2,0,0,0,0|2,0,0]=4 2494 B16R1.5188 COCOc1ccc(cc1SC(C)C)OC 62a_200013022666_100000210206 [0,2,0,0,0,0|2,0,0]=4 2495 B16R1.5188 COCSc1ccc(cc1CN(C)C)OC 62a_100000727244_100000766300 [0,2,0,0,0,0|2,0,0]=4 2496 B16R1.5188 COCSc1ccc(cc1CN(C)C)OC 62a_100000766300_100000727244 [0,2,0,0,0,0|2,0,0]=4 2497 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCC#N 7a_200000075431_100011215382 [0,2,0,0,0,0|1,0,1]=4 2498 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCC=O 34a_200000075431_200009817547 [0,2,0,0,0,0|1,0,1]=4 2499 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCC=O 7a_200000075431_200015260668 [0,2,0,0,0,0|1,0,1]=4 2500 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCCF 34a_200000075431_100011217306 [0,2,0,0,0,0|1,0,1]=4 2501 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCCF 7a_200000075431_100011217306 [0,2,0,0,0,0|1,0,1]=4 2502 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCCO 34a_200000075431_100000211926 [0,2,0,0,0,0|1,0,1]=4 2503 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCCO 7a_200000075431_100000211926 [0,2,0,0,0,0|1,0,1]=4 2504 B16R1.5188 COc1ccc(c(c1)CC(=O)C)OCSC 34a_200000075431_100011218213 [0,2,0,0,0,0|1,0,1]=4 2505 B16R1.5188 COc1ccc(c(c1)SC(C)C)OCC#N 62a_100000210206_100012356953 [0,2,0,0,0,0|2,0,0]=4 2506 B16R1.5188 COc1ccc(c(c1)SC(C)C)OCC#N 62a_100012356953_100000210206 [0,2,0,0,0,0|2,0,0]=4 2507 B16R1.5683 COc1ccc(c(c1)CC(=O)C)OC(C)C 34a_200000075431_100000210206 [0,2,0,0,0,0|1,0,1]=4 2508 B16R1.5683 COc1ccc(c(c1)CC(=O)C)OC(C)C 7a_200000075431_100000210206 [0,2,0,0,0,0|1,0,1]=4 2509 B16R1.5683 COc1ccc(c(c1)CN(C)C)OC(C)C 270004a_100102631434_200000170338 [0,2,0,0,0,0|2,0,0]=4 2510 B16R1.13478 CCOc1ccc(c(c1)NC(C)C)OCC 2230a_100000211849_100000210206 [0,2,0,0,0,0|2,0,0]=4 2511 B16R1.13478 CCOc1ccc(c(c1)NC(C)C)OCC 34a_100000211849_100000210206 [0,2,0,0,0,0|2,0,0]=4 2512 B16R1.4315 COc1ccc(cc1NC(C)C)OC(F)F 2230a_100012662268_100000210206 [0,2,0,0,0,0|2,0,0]=4 2513 B16R1.4315 COc1ccc(cc1NC(C)C)OC(F)F 34a_100012662268_100000210206 [0,2,0,0,0,0|2,0,0]=4 2514 B16R1.17978 COCOc1ccc(c(c1)SC(C)C)OC 62a_100000210206_200161107199 [0,2,0,0,0,0|2,0,0]=4 2515 B16R1.17978 COCOc1ccc(c(c1)SC(C)C)OC 62a_200161107199_100000210206 [0,2,0,0,0,0|2,0,0]=4 2516 B16R1.17978 COCSc1ccc(c(c1)CC(=O)C)OC 62a_200011493461_100000766300 [0,2,0,0,0,0|1,0,1]=4 2517 B16R1.17978 COCSc1ccc(c(c1)OC(C)C)OC 62a_100000766300_200010232110 [0,2,0,0,0,0|2,0,0]=4 2518 B16R1.17978 COCSc1ccc(c(c1)OC(C)C)OC 62a_200010232110_100000766300 [0,2,0,0,0,0|2,0,0]=4 2519 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [1,0,0,1,0,0|1,0,1]=4 2520 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [1,0,0,1,0,0|1,0,1]=4 2521 B14R2.134 COc1ccc2c(c1)CN(CC2)C 2230a_100015207042_200000210301 [1,0,0,1,0,0|2,0,0]=4 2522 B14R2.134 COc1ccc2c(c1)CN(CC2)C 269982a_100015207042_200000210301 [1,0,0,1,0,0|2,0,0]=4 2523 B14R2.134 COc1ccc2c(c1)CN(CC2)C 34a_100015207042_200000210301 [1,0,0,1,0,0|2,0,0]=4 2524 B14R2.134 COc1ccc2c(c1)CN(CC2)[13CH3] 2230a_100015207042_200025704644 [1,0,0,1,0,0|2,0,0]=4 2525 B14R2.134 COc1ccc2c(c1)CN(CC2)[13CH3] 269982a_100015207042_200025704644 [1,0,0,1,0,0|2,0,0]=4 2526 B14R2.134 COc1ccc2c(c1)CN(CC2)[13CH3] 34a_100015207042_200025704644 [1,0,0,1,0,0|2,0,0]=4 2527 B14R2.134 COc1ccc2c(c1)C[C@@H](CC2)N 34a_100015730448_200000210301 [1,0,0,1,0,0|0,0,0]=2 2528 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [1,0,0,1,0,0|1,0,1]=4 2529 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [1,0,0,1,0,0|1,0,1]=4 2530 B14R2.134 [13CH3]Oc1ccc2c(c1)C[C@@H](CC2)N 34a_100015730448_200025704644 [1,0,0,1,0,0|0,0,0]=2 2531 B14R2.161 COc1ccc(c(c1)NC2CC2)C 34a_100000760359_100000211595 [1,0,0,1,0,0|2,0,0]=4 2532 B14R2.161 COc1ccc(c(c1)NC2CC2)O 34a_100000188146_100000211595 [1,0,0,1,0,0|2,0,0]=4 2533 B14R2.161 COc1ccc(c(c1)OC2CC2)C 34a_100012179981_100000211595 [1,0,0,1,0,0|2,0,0]=4 2534 B14R2.161 COc1ccc(c(c1)SC2CC2)C 62a_100012349166_100000211595 [1,0,0,1,0,0|2,0,0]=4 2535 B14R2.1747 COc1ccc(c2c1CCC2)OC 34a_100000041694_200000210301 [1,0,0,1,0,0|0,0,0]=2 2536 B14R2.1747 COc1ccc(c2c1CCC2)OC 7a_100000041694_200000210301 [1,0,0,1,0,0|0,0,0]=2 2537 B14R2.1747 COc1ccc(c2c1CCC2)O[13CH3] 34a_100000041694_200025704644 [1,0,0,1,0,0|0,0,0]=2 2538 B14R2.1747 COc1ccc(c2c1CCC2)O[13CH3] 7a_100000041694_200025704644 [1,0,0,1,0,0|0,0,0]=2 2539 B14R2.1801 COc1ccc2c(c1)CCCC2=O 7a_100000746981_200000210301 [1,0,0,1,0,0|2,0,0]=4 2540 B14R2.1801 COc1ccc2c(c1)CCNC2=O 34a_100000087030_200000210301 [1,0,0,1,0,0|2,0,0]=4 2541 B14R2.1801 COc1ccc2c(c1)CCNC2=O 7a_100000087030_200000210301 [1,0,0,1,0,0|2,0,0]=4 2542 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCCC2=O 7a_100000746981_200025704644 [1,0,0,1,0,0|2,0,0]=4 2543 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 34a_100000087030_200025704644 [1,0,0,1,0,0|2,0,0]=4 2544 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 7a_100000087030_200025704644 [1,0,0,1,0,0|2,0,0]=4 2545 B14R2.2400 CNc1ccc2c(c1)OCCCO2 2230a_100000181267_200000210301 [1,0,0,1,0,0|2,0,0]=4 2546 B14R2.2400 CNc1ccc2c(c1)OCCCO2 34a_100000181267_200000210301 [1,0,0,1,0,0|2,0,0]=4 2547 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_100000739260_200000210301 [1,0,0,1,0,0|1,1,0]=4 2548 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_200000210301_100000739260 [1,0,0,1,0,0|1,1,0]=4 2549 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 2230a_100000181267_200025704644 [1,0,0,1,0,0|2,0,0]=4 2550 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 34a_100000181267_200025704644 [1,0,0,1,0,0|2,0,0]=4 2551 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_100000739260_200025704644 [1,0,0,1,0,0|1,1,0]=4 2552 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_200025704644_100000739260 [1,0,0,1,0,0|1,1,0]=4 2553 B14R2.2497 CNC1CCc2c1cc(cc2)OC 269862a_106832991636_100000751120 [1,0,0,1,0,0|2,0,0]=4 2554 B14R2.2497 CN[C@H]1CCc2c1cc(cc2)OC 2230a_100009817776_200000210301 [1,0,0,1,0,0|2,0,0]=4 2555 B14R2.2497 CN[C@H]1CCc2c1cc(cc2)OC 34a_100009817776_200000210301 [1,0,0,1,0,0|2,0,0]=4 2556 B14R2.2497 COc1ccc2c(c1)C(CC2)OC 34a_200011467848_200000210301 [1,0,0,1,0,0|2,0,0]=4 2557 B14R2.2497 COc1ccc2c(c1)C(CC2)OC 7a_200011467848_200000210301 [1,0,0,1,0,0|2,0,0]=4 2558 B14R2.2497 COc1ccc2c(c1)C(CC2)O[13CH3] 34a_200011467848_200025704644 [1,0,0,1,0,0|2,0,0]=4 2559 B14R2.2497 COc1ccc2c(c1)C(CC2)O[13CH3] 7a_200011467848_200025704644 [1,0,0,1,0,0|2,0,0]=4 2560 B14R2.2497 COc1ccc2c(c1)[C@H](CC2)N[13CH3] 2230a_100009817776_200025704644 [1,0,0,1,0,0|2,0,0]=4 2561 B14R2.2497 COc1ccc2c(c1)[C@H](CC2)N[13CH3] 34a_100009817776_200025704644 [1,0,0,1,0,0|2,0,0]=4 2562 B14R2.3519 CCc1ccc(c(c1)C2CC2)OC 271570a_100011220607_100010062400 [1,0,0,1,0,0|1,0,0]=3 2563 B14R2.3519 CNc1ccc(c(c1)C2CC2)OC 271570a_100011220607_114948341033 [1,0,0,1,0,0|1,0,0]=3 2564 B14R2.3519 COc1ccc(c(c1)C2CC2)C#N 271570a_100011220607_100012355471 [1,0,0,1,0,0|2,0,0]=4 2565 B14R2.3519 COc1ccc(c(c1)C2CC2)C=O 271570a_100011220607_100000723261 [1,0,0,1,0,0|2,0,0]=4 2566 B14R2.3519 COc1ccc(c(c1)C2CC2)CO 271570a_100011220607_100011982768 [1,0,0,1,0,0|2,0,0]=4 2567 B14R2.3519 COc1ccc(c(c1)C2CC2)OC 271570a_100011220607_100011215452 [1,0,0,1,0,0|0,0,0]=2 2568 B14R2.3519 COc1ccc(cc1C2CC2)C#N 271570a_100011220607_100000188253 [1,0,0,1,0,0|2,0,0]=4 2569 B14R2.3519 COc1ccc(cc1C2CC2)C=O 271570a_100011220607_100000173361 [1,0,0,1,0,0|2,0,0]=4 2570 B14R2.3519 COc1ccc(cc1C2CC2)CN 271570a_100011220607_100159240714 [1,0,0,1,0,0|2,0,0]=4 2571 B14R2.3519 COc1ccc(cc1C2CC2)CO 271570a_100011220607_100000246451 [1,0,0,1,0,0|2,0,0]=4 2572 B14R2.104 COc1ccc(cc1NC2CC2)C 34a_100000210980_100000211595 [1,0,0,1,0,0|2,0,0]=4 2573 B14R2.104 COc1ccc(cc1OC2CC2)C 34a_100011216497_100000211595 [1,0,0,1,0,0|2,0,0]=4 2574 B14R2.104 COc1ccc(cc1SC2CC2)C 62a_100000186399_100000211595 [1,0,0,1,0,0|2,0,0]=4 2575 B14R2.104 COc1ccc(cc1SC2CC2)O 62a_100010234764_100000211595 [1,0,0,1,0,0|2,0,0]=4 2576 B14R2.142 C=Cc1ccc2c(c1)[C@H](CCO2)N 271570a_100011290941_100020639276 [0,0,0,1,1,0|1,0,1]=4 2577 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200000210301 [0,0,0,1,1,0|1,0,1]=4 2578 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200000210301 [0,0,0,1,1,0|1,0,1]=4 2579 B14R2.142 CSc1ccc2c(c1)C(CCC2)N 62a_100011742594_200000210301 [0,0,0,1,1,0|1,1,0]=4 2580 B14R2.142 CSc1ccc2c(c1)C(CCC2)N 62a_200000210301_100011742594 [0,0,0,1,1,0|1,1,0]=4 2581 B14R2.142 CSc1ccc2c(c1)C(CCO2)O 62a_100000760992_200000210301 [0,0,0,1,1,0|1,1,0]=4 2582 B14R2.142 CSc1ccc2c(c1)C(CCO2)O 62a_200000210301_100000760992 [0,0,0,1,1,0|1,1,0]=4 2583 B14R2.142 CSc1ccc2c(c1)C(CCS2)N 62a_100000744474_200000210301 [0,0,0,1,1,0|0,2,0]=4 2584 B14R2.142 CSc1ccc2c(c1)C(CCS2)N 62a_200000210301_100000744474 [0,0,0,1,1,0|0,2,0]=4 2585 B14R2.142 CSc1ccc2c(c1)[C@H](CCO2)N 62a_100020639276_200000210301 [0,0,0,1,1,0|0,1,0]=3 2586 B14R2.142 CSc1ccc2c(c1)[C@H](CCO2)N 62a_200000210301_100020639276 [0,0,0,1,1,0|0,1,0]=3 2587 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200025704644 [0,0,0,1,1,0|1,0,1]=4 2588 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200025704644 [0,0,0,1,1,0|1,0,1]=4 2589 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCC2)N 62a_100011742594_200025704644 [0,0,0,1,1,0|1,1,0]=4 2590 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCC2)N 62a_200025704644_100011742594 [0,0,0,1,1,0|1,1,0]=4 2591 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCO2)O 62a_100000760992_200025704644 [0,0,0,1,1,0|1,1,0]=4 2592 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCO2)O 62a_200025704644_100000760992 [0,0,0,1,1,0|1,1,0]=4 2593 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCS2)N 62a_100000744474_200025704644 [0,0,0,1,1,0|0,2,0]=4 2594 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCS2)N 62a_200025704644_100000744474 [0,0,0,1,1,0|0,2,0]=4 2595 B14R2.142 [13CH3]Sc1ccc2c(c1)[C@H](CCO2)N 62a_100020639276_200025704644 [0,0,0,1,1,0|0,1,0]=3 2596 B14R2.142 [13CH3]Sc1ccc2c(c1)[C@H](CCO2)N 62a_200025704644_100020639276 [0,0,0,1,1,0|0,1,0]=3 2597 B16R2.7476 COc1ccc2c(c1)CC(CO2)C(=O)C 1458a_100000025517_200000210301 [0,0,0,1,0,1|1,0,1]=4 2598 B16R2.7476 COc1ccc2c(c1)CC(CO2)C(=O)[13CH3] 1458a_100000025517_200025704644 [0,0,0,1,0,1|1,0,1]=4 2599 B16R2.7476 COc1ccc2c(c1)CN(CC2)C(C)C 2230a_100015207042_100000210206 [0,0,0,1,0,1|2,0,0]=4 2600 B16R2.7476 COc1ccc2c(c1)CN(CC2)C(C)C 269982a_100015207042_100000210206 [0,0,0,1,0,1|2,0,0]=4 2601 B16R2.7476 COc1ccc2c(c1)CN(CC2)C(C)C 34a_100015207042_100000210206 [0,0,0,1,0,1|2,0,0]=4 2602 B16R2.8348 CCc1ccc(c(c1)NCC2CC2)OC 2230a_100012035449_100000742324 [0,0,0,1,0,1|2,0,0]=4 2603 B16R2.8348 CCc1ccc(c(c1)NCC2CC2)OC 34a_100012035449_100000742324 [0,0,0,1,0,1|2,0,0]=4 2604 B16R2.8348 CCc1ccc(c(c1)NCC2CO2)OC 2230a_100012035449_100011216344 [0,0,0,1,0,1|2,0,0]=4 2605 B16R2.8348 CCc1ccc(c(c1)NCC2CO2)OC 34a_100012035449_102125554688 [0,0,0,1,0,1|2,0,0]=4 2606 B16R2.8348 CCc1ccc(c(c1)OCC2CC2)OC 34a_100009844796_100000742324 [0,0,0,1,0,1|2,0,0]=4 2607 B16R2.8348 CCc1ccc(c(c1)OCC2CC2)OC 7a_100009844796_100000742324 [0,0,0,1,0,1|2,0,0]=4 2608 B16R2.8348 CCc1ccc(c(c1)OCC2CO2)OC 34a_100009844796_102125554688 [0,0,0,1,0,1|2,0,0]=4 2609 B16R2.8348 CCc1ccc(c(c1)OCC2CO2)OC 7a_100009844796_102125554688 [0,0,0,1,0,1|2,0,0]=4 2610 B16R2.8348 CCc1ccc(c(c1)OCC2CS2)OC 7a_100009844796_100000031435 [0,0,0,1,0,1|2,0,0]=4 2611 B16R2.8348 CCc1ccc(c(c1)OC[C@@H]2CO2)OC 7a_100009844796_100000745022 [0,0,0,1,0,1|2,0,0]=4 2612 B16R2.8348 CCc1ccc(c(c1)SCC2CC2)OC 62a_100000756562_100010062400 [0,0,0,1,0,1|2,0,0]=4 2613 B16R2.8348 CCc1ccc(c(c1)SCC2CC2)OC 62a_100010062400_100000742324 [0,0,0,1,0,1|2,0,0]=4 2614 B16R2.8348 CCc1ccc(c(c1)SCC2CO2)OC 62a_100010062400_102125554688 [0,0,0,1,0,1|2,0,0]=4 2615 B16R2.8348 CCc1ccc(c(c1)SCC2CO2)OC 62a_102125554688_100010062400 [0,0,0,1,0,1|2,0,0]=4 2616 B16R2.8348 CCc1ccc(c(c1)SCC2CS2)OC 62a_100000031435_100010062400 [0,0,0,1,0,1|2,0,0]=4 2617 B16R2.8348 CCc1ccc(c(c1)SCC2CS2)OC 62a_100010062400_100000031435 [0,0,0,1,0,1|2,0,0]=4 2618 B16R2.8348 CCc1ccc(c(c1)SC[C@@H]2CO2)OC 62a_100000745022_100010062400 [0,0,0,1,0,1|2,0,0]=4 2619 B16R2.8348 CCc1ccc(c(c1)SC[C@@H]2CO2)OC 62a_100010062400_100000745022 [0,0,0,1,0,1|2,0,0]=4 2620 B16R2.8348 CNc1ccc(c(c1)SCC2CC2)OC 62a_100000756562_114948341033 [0,0,0,1,0,1|2,0,0]=4 2621 B16R2.8348 CNc1ccc(c(c1)SCC2CC2)OC 62a_114948341033_100000742324 [0,0,0,1,0,1|2,0,0]=4 2622 B16R2.8348 CNc1ccc(c(c1)SCC2CO2)OC 62a_102125554688_114948341033 [0,0,0,1,0,1|2,0,0]=4 2623 B16R2.8348 CNc1ccc(c(c1)SCC2CO2)OC 62a_114948341033_102125554688 [0,0,0,1,0,1|2,0,0]=4 2624 B16R2.8348 CNc1ccc(c(c1)SCC2CS2)OC 62a_100000031435_114948341033 [0,0,0,1,0,1|2,0,0]=4 2625 B16R2.8348 CNc1ccc(c(c1)SCC2CS2)OC 62a_114948341033_100000031435 [0,0,0,1,0,1|2,0,0]=4 2626 B16R2.8348 CNc1ccc(c(c1)SC[C@@H]2CO2)OC 62a_100000745022_114948341033 [0,0,0,1,0,1|2,0,0]=4 2627 B16R2.8348 CNc1ccc(c(c1)SC[C@@H]2CO2)OC 62a_114948341033_100000745022 [0,0,0,1,0,1|2,0,0]=4 2628 B16R2.8348 COc1ccc(c(c1)C#CC2CC2)OC 271570a_200009880635_100011215452 [0,0,0,1,0,1|1,0,1]=4 2629 B16R2.8348 COc1ccc(c(c1)C=CC2CC2)OC 271570a_100102526188_100011215452 [0,0,0,1,0,1|1,0,1]=4 2630 B16R2.8348 COc1ccc(c(c1)CNC2CC2)OC 34a_100000185951_100000211595 [0,0,0,1,0,1|1,0,0]=3 2631 B16R2.8348 COc1ccc(c(c1)CNC2CC2)OC 34a_100000212008_100011233847 [0,0,0,1,0,1|1,0,0]=3 2632 B16R2.8348 COc1ccc(c(c1)COC2CC2)OC 34a_100000212306_100000211595 [0,0,0,1,0,1|1,0,0]=3 2633 B16R2.8348 COc1ccc(c(c1)CSC2CC2)OC 62a_100000205131_100000211595 [0,0,0,1,0,1|1,0,0]=3 2634 B16R2.8348 COc1ccc(c(c1)NCC2CC2)OC 2230a_100000184736_100000742324 [0,0,0,1,0,1|1,0,0]=3 2635 B16R2.8348 COc1ccc(c(c1)NCC2CC2)OC 34a_100000184736_100000742324 [0,0,0,1,0,1|1,0,0]=3 2636 B16R2.8348 COc1ccc(c(c1)NCC2CO2)OC 2230a_100000184736_100011216344 [0,0,0,1,0,1|1,0,0]=3 2637 B16R2.8348 COc1ccc(c(c1)NCC2CO2)OC 34a_100000184736_102125554688 [0,0,0,1,0,1|1,0,0]=3 2638 B16R2.8348 COc1ccc(c(c1)OCC2CC2)OC 34a_100000074795_100000742324 [0,0,0,1,0,1|1,0,0]=3 2639 B16R2.8348 COc1ccc(c(c1)OCC2CO2)OC 34a_100000074795_102125554688 [0,0,0,1,0,1|1,0,0]=3 2640 B16R2.8348 COc1ccc(c(c1)SCC2CC2)OC 62a_100000756562_100011215452 [0,0,0,1,0,1|1,0,0]=3 2641 B16R2.8348 COc1ccc(c(c1)SCC2CC2)OC 62a_100011215452_100000742324 [0,0,0,1,0,1|1,0,0]=3 2642 B16R2.8348 COc1ccc(c(c1)SCC2CO2)OC 62a_100011215452_102125554688 [0,0,0,1,0,1|1,0,0]=3 2643 B16R2.8348 COc1ccc(c(c1)SCC2CO2)OC 62a_102125554688_100011215452 [0,0,0,1,0,1|1,0,0]=3 2644 B16R2.8348 COc1ccc(c(c1)SCC2CS2)OC 62a_100000031435_100011215452 [0,0,0,1,0,1|1,0,0]=3 2645 B16R2.8348 COc1ccc(c(c1)SCC2CS2)OC 62a_100011215452_100000031435 [0,0,0,1,0,1|1,0,0]=3 2646 B16R2.8348 COc1ccc(c(c1)SC[C@@H]2CO2)OC 62a_100000745022_100011215452 [0,0,0,1,0,1|1,0,0]=3 2647 B16R2.8348 COc1ccc(c(c1)SC[C@@H]2CO2)OC 62a_100011215452_100000745022 [0,0,0,1,0,1|1,0,0]=3 2648 B16R2.42567 COc1ccc2c(c1)C(CC2)OC(C)C 34a_200011467848_100000210206 [0,0,0,1,0,1|2,0,0]=4 2649 B16R2.42567 COc1ccc2c(c1)C(CC2)OC(C)C 7a_200011467848_100000210206 [0,0,0,1,0,1|2,0,0]=4 2650 B16R2.42567 COc1ccc2c(c1)[C@H](CC2)NC(C)C 2230a_100009817776_100000210206 [0,0,0,1,0,1|2,0,0]=4 2651 B16R2.42567 COc1ccc2c(c1)[C@H](CC2)NC(C)C 34a_100009817776_100000210206 [0,0,0,1,0,1|2,0,0]=4 2652 B16R2.29270 COc1cc(c(c(c1)NC2CC2)OC)Br 34a_100010294495_100000211595 [0,1,0,1,0,0|2,0,0]=4 2653 B16R2.29270 COc1cc(c(c(c1)OC2CC2)OC)Br 34a_200020900881_100000211595 [0,1,0,1,0,0|2,0,0]=4 2654 B16R2.29270 COc1cc(c(c(c1)SC2CC2)OC)N 62a_100010294495_100000211595 [0,1,0,1,0,0|2,0,0]=4 2655 B16R2.1579 COc1cc2c(cc1CN(C)C)OCO2 270004a_100102631434_100000186743 [0,1,0,1,0,0|2,0,0]=4 2656 B16R2.1579 COc1cc2c(cc1NC(C)C)OCO2 2230a_200000088178_100000210206 [0,1,0,1,0,0|2,0,0]=4 2657 B16R2.1579 COc1cc2c(cc1NC(C)C)OCO2 34a_200000088178_100000210206 [0,1,0,1,0,0|2,0,0]=4 2658 B16R2.41793 COc1cc(c(cc1Br)OC)OC2CC2 34a_100009816818_100000211595 [0,1,0,1,0,0|2,0,0]=4 2659 B16R2.41793 COc1cc(c(cc1Br)OC)SC2CC2 62a_100013799044_100000211595 [0,1,0,1,0,0|2,0,0]=4 2660 B16R2.41793 COc1cc(c(cc1C)OC)SC2CC2 62a_100000039368_100000211595 [0,1,0,1,0,0|2,0,0]=4 2661 B16R2.41793 COc1cc(c(cc1Cl)OC)NC2CC2 34a_100000179761_100000211595 [0,1,0,1,0,0|2,0,0]=4 2662 B16R2.41793 COc1cc(c(cc1Cl)OC)SC2CC2 62a_100000023288_100000211595 [0,1,0,1,0,0|2,0,0]=4 2663 B16R2.204779 COc1ccc(c(c1F)SC2CC2)OC 62a_200016180952_100000211595 [0,1,0,1,0,0|2,0,0]=4 2664 B16R2.204774 C=C(c1cc(ccc1OC)OC)C2CC2 271570a_100010895485_100011215452 [0,1,0,1,0,0|1,0,1]=4 2665 B16R2.204774 COc1ccc(c(c1)N(C)C2CC2)OC 269982a_100000221073_100000211595 [0,1,0,1,0,0|2,0,0]=4 2666 B16R2.204774 COc1ccc(c(c1)N(C)C2CC2)OC 34a_100000221073_100000211595 [0,1,0,1,0,0|2,0,0]=4 2667 B16R2.63177 COc1ccc(c(c1)CN2CCC2)OC 269982a_100000754969_100011233847 [0,1,0,1,0,0|2,0,0]=4 2668 B16R2.63177 COc1ccc(c(c1)CN2CCC2)OC 26a_100000754969_100000074795 [0,1,0,1,0,0|2,0,0]=4 2669 B16R2.63177 COc1ccc(c(c1)NC2CCC2)OC 34a_100000184736_100000749161 [0,1,0,1,0,0|2,0,0]=4 2670 B16R2.63177 COc1ccc(c(c1)NC2COC2)OC 34a_100000184736_100009818527 [0,1,0,1,0,0|2,0,0]=4 2671 B16R2.63177 COc1ccc(c(c1)OC2CCC2)OC 34a_100000074795_100000749161 [0,1,0,1,0,0|2,0,0]=4 2672 B16R2.63177 COc1ccc(c(c1)OC2COC2)OC 34a_100000074795_100009818527 [0,1,0,1,0,0|2,0,0]=4 2673 B16R2.63177 COc1ccc(c(c1)SC2CCC2)OC 62a_100011215452_100000749161 [0,1,0,1,0,0|2,0,0]=4 2674 B16R2.63177 COc1ccc(c(c1)SC2COC2)OC 62a_100011215452_100009818527 [0,1,0,1,0,0|2,0,0]=4 2675 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [1,0,0,0,1,0|1,0,1]=4 2676 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [1,0,0,0,1,0|1,0,1]=4 2677 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [1,0,0,0,1,0|1,1,0]=4 2678 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [1,0,0,0,1,0|1,1,0]=4 2679 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [1,0,0,0,1,0|1,0,1]=4 2680 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [1,0,0,0,1,0|1,0,1]=4 2681 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [1,0,0,0,1,0|1,0,1]=4 2682 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [1,0,0,0,1,0|1,0,1]=4 2683 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [1,0,0,0,1,0|1,0,1]=4 2684 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [1,0,0,0,1,0|1,0,1]=4 2685 B12R1.453 COc1ccc(c(c1)C(F)F)O 271570a_203496583355_100010189949 [1,0,0,0,1,0|2,0,0]=4 2686 B12R1.453 COc1ccc(c(c1)N(C)C)C 34a_200000087912_200000210301 [1,0,0,0,1,0|2,0,0]=4 2687 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [1,0,0,0,1,0|0,0,0]=2 2688 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [1,0,0,0,1,0|1,1,0]=4 2689 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [1,0,0,0,1,0|1,1,0]=4 2690 B12R1.453 Cc1ccc(cc1N(C)C)O[13CH3] 34a_200000087912_200025704644 [1,0,0,0,1,0|2,0,0]=4 2691 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [1,0,0,0,1,0|1,0,1]=4 2692 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [1,0,0,0,1,0|1,0,1]=4 2693 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [1,0,0,0,1,0|1,0,1]=4 2694 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [1,0,0,0,1,0|1,0,1]=4 2695 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [1,0,0,0,1,0|2,0,0]=4 2696 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [1,0,0,0,1,0|2,0,0]=4 2697 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_100012343209_200025704644 [1,0,0,0,1,0|1,1,0]=4 2698 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_200025704644_100012343209 [1,0,0,0,1,0|1,1,0]=4 2699 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [1,0,0,0,1,0|2,0,0]=4 2700 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [1,0,0,0,1,0|2,0,0]=4 2701 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [1,0,0,0,1,0|1,0,1]=4 2702 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [1,0,0,0,1,0|1,0,1]=4 2703 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [1,0,0,0,1,0|1,0,1]=4 2704 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [1,0,0,0,1,0|1,0,1]=4 2705 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [1,0,0,0,1,0|1,0,1]=4 2706 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [1,0,0,0,1,0|1,0,1]=4 2707 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [1,0,0,0,1,0|1,0,1]=4 2708 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [1,0,0,0,1,0|1,0,1]=4 2709 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [1,0,0,0,1,0|1,0,1]=4 2710 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [1,0,0,0,1,0|2,0,0]=4 2711 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [1,0,0,0,1,0|2,0,0]=4 2712 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [1,0,0,0,1,0|2,0,0]=4 2713 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [1,0,0,0,1,0|2,0,0]=4 2714 B12R1.46 COc1ccc(cc1C(F)F)O 271570a_203496583355_100010146105 [1,0,0,0,1,0|2,0,0]=4 2715 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [1,0,0,0,1,0|1,0,0]=3 2716 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [1,0,0,0,1,0|1,0,0]=3 2717 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [1,0,0,0,1,0|1,0,0]=3 2718 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [1,0,0,0,1,0|1,0,0]=3 2719 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_100012343209_200000210301 [1,0,0,0,1,0|1,1,0]=4 2720 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_200000210301_100012343209 [1,0,0,0,1,0|1,1,0]=4 2721 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [1,0,0,0,1,0|1,0,0]=3 2722 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [1,0,0,0,1,0|1,0,0]=3 2723 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [1,0,0,0,1,0|1,0,0]=3 2724 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [1,0,0,0,1,0|1,0,0]=3 2725 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [1,0,0,0,1,0|1,0,1]=4 2726 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [1,0,0,0,1,0|1,0,1]=4 2727 B14R1.2335 C=C(C)CNc1cc(ccc1C)OC 2230a_100000760359_100000748629 [1,0,0,0,0,1|1,0,1]=4 2728 B14R1.2335 C=C(C)CNc1cc(ccc1C)OC 34a_100000760359_100000748629 [1,0,0,0,0,1|1,0,1]=4 2729 B14R1.2335 C=C(C)CNc1cc(ccc1O)OC 34a_100000188146_100000748629 [1,0,0,0,0,1|1,0,1]=4 2730 B14R1.2335 C=C(C)COc1cc(ccc1C)OC 34a_100012179981_100000748629 [1,0,0,0,0,1|1,0,1]=4 2731 B14R1.2335 C=C(C)COc1cc(ccc1C)OC 7a_100012179981_100000748629 [1,0,0,0,0,1|1,0,1]=4 2732 B14R1.2335 C=C(C)CSc1cc(ccc1C)OC 62a_100000748629_100012349166 [1,0,0,0,0,1|1,0,1]=4 2733 B14R1.2335 C=C(C)CSc1cc(ccc1C)OC 62a_100012349166_100000211660 [1,0,0,0,0,1|1,0,1]=4 2734 B14R1.2335 C=C(C)CSc1cc(ccc1O)OC 62a_100000748629_100000685887 [1,0,0,0,0,1|1,0,1]=4 2735 B14R1.2335 CCc1ccc(c(c1)NCC(C)C)C 2230a_200012022522_100000210760 [1,0,0,0,0,1|2,0,0]=4 2736 B14R1.2335 CCc1ccc(c(c1)NCC(C)C)C 34a_200012022522_100000210624 [1,0,0,0,0,1|2,0,0]=4 2737 B14R1.2335 CCc1ccc(c(c1)NCC(C)C)C 7a_200012022522_100000210760 [1,0,0,0,0,1|2,0,0]=4 2738 B14R1.2335 CCc1ccc(c(c1)NCC(C)C)O 34a_100000765835_100000210624 [1,0,0,0,0,1|2,0,0]=4 2739 B14R1.2335 CCc1ccc(c(c1)NCC(C)O)C 2230a_200012022522_100011218427 [1,0,0,0,0,1|2,0,0]=4 2740 B14R1.2335 CCc1ccc(c(c1)NCC(C)O)C 34a_200012022522_100011218427 [1,0,0,0,0,1|2,0,0]=4 2741 B14R1.2335 CCc1ccc(c(c1)NCC(C)O)C 7a_200012022522_100011218427 [1,0,0,0,0,1|2,0,0]=4 2742 B14R1.2335 CCc1ccc(c(c1)NCC(C)O)O 34a_100000765835_100011218427 [1,0,0,0,0,1|2,0,0]=4 2743 B14R1.2335 CCc1ccc(c(c1)NC[C@@H](C)O)C 2230a_200012022522_100009817552 [1,0,0,0,0,1|2,0,0]=4 2744 B14R1.2335 CCc1ccc(c(c1)NC[C@@H](C)O)C 34a_200012022522_100009817552 [1,0,0,0,0,1|2,0,0]=4 2745 B14R1.2335 CCc1ccc(c(c1)NC[C@@H](C)O)C 7a_200012022522_100009817552 [1,0,0,0,0,1|2,0,0]=4 2746 B14R1.2335 CCc1ccc(c(c1)NC[C@@H](C)O)O 34a_100000765835_100009817552 [1,0,0,0,0,1|2,0,0]=4 2747 B14R1.2335 CCc1ccc(c(c1)SCC(C)C)O 62a_100000210624_100012339963 [1,0,0,0,0,1|2,0,0]=4 2748 B14R1.2335 CCc1ccc(c(c1)SCC(C)C)O 62a_100012339963_100000210760 [1,0,0,0,0,1|2,0,0]=4 2749 B14R1.2335 CCc1ccc(c(c1)SCC(C)O)O 62a_100011218427_100012339963 [1,0,0,0,0,1|2,0,0]=4 2750 B14R1.2335 CCc1ccc(c(c1)SCC(C)O)O 62a_100012339963_100011218427 [1,0,0,0,0,1|2,0,0]=4 2751 B14R1.2335 CCc1ccc(c(c1)SC[C@@H](C)O)O 62a_100009817552_100012339963 [1,0,0,0,0,1|2,0,0]=4 2752 B14R1.2335 CCc1ccc(c(c1)SC[C@@H](C)O)O 62a_100012339963_100009817552 [1,0,0,0,0,1|2,0,0]=4 2753 B14R1.2335 CNc1ccc(c(c1)SCC(C)C)C 62a_100000210624_100000707694 [1,0,0,0,0,1|2,0,0]=4 2754 B14R1.2335 CNc1ccc(c(c1)SCC(C)C)C 62a_100000707694_100000210760 [1,0,0,0,0,1|2,0,0]=4 2755 B14R1.2335 CNc1ccc(c(c1)SCC(C)O)C 62a_100000707694_100011218427 [1,0,0,0,0,1|2,0,0]=4 2756 B14R1.2335 CNc1ccc(c(c1)SCC(C)O)C 62a_100011218427_100000707694 [1,0,0,0,0,1|2,0,0]=4 2757 B14R1.2335 CNc1ccc(c(c1)SC[C@@H](C)O)C 62a_100000707694_100009817552 [1,0,0,0,0,1|2,0,0]=4 2758 B14R1.2335 CNc1ccc(c(c1)SC[C@@H](C)O)C 62a_100009817552_100000707694 [1,0,0,0,0,1|2,0,0]=4 2759 B14R1.2335 COc1cc(c(cn1)C)SCC(C)C 62a_100000210624_100010068546 [1,0,0,0,0,1|2,0,0]=4 2760 B14R1.2335 COc1cc(c(cn1)C)SCC(C)C 62a_100010068546_100000210760 [1,0,0,0,0,1|2,0,0]=4 2761 B14R1.2335 COc1cc(c(cn1)C)SCC(C)O 62a_100010068546_100011218427 [1,0,0,0,0,1|2,0,0]=4 2762 B14R1.2335 COc1cc(c(cn1)C)SCC(C)O 62a_100011218427_100010068546 [1,0,0,0,0,1|2,0,0]=4 2763 B14R1.2335 COc1cc(c(cn1)C)SC[C@@H](C)O 62a_100009817552_100010068546 [1,0,0,0,0,1|2,0,0]=4 2764 B14R1.2335 COc1cc(c(cn1)C)SC[C@@H](C)O 62a_100010068546_100009817552 [1,0,0,0,0,1|2,0,0]=4 2765 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)C 271570a_100016257149_100012349166 [1,0,0,0,0,1|1,0,1]=4 2766 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)O 271570a_100016257149_100000685887 [1,0,0,0,0,1|1,0,1]=4 2767 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100012349166 [1,0,0,0,0,1|1,0,1]=4 2768 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000685887 [1,0,0,0,0,1|1,0,1]=4 2769 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 11a_100012180165_100015343762 [1,0,0,0,0,1|1,0,1]=4 2770 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 1626a_100012180165_100015343762 [1,0,0,0,0,1|1,0,1]=4 2771 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 240690a_100012180165_100015343762 [1,0,0,0,0,1|1,0,1]=4 2772 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 527a_100012180165_100103153847 [1,0,0,0,0,1|1,0,1]=4 2773 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Br 207a_100138425928_100000691568 [1,0,0,0,0,1|2,0,0]=4 2774 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Br 2230a_100000741592_100000210206 [1,0,0,0,0,1|2,0,0]=4 2775 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Br 2230a_100138425928_100000761528 [1,0,0,0,0,1|2,0,0]=4 2776 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Br 34a_100000741592_100000210206 [1,0,0,0,0,1|2,0,0]=4 2777 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Br 34a_100138425928_100000761528 [1,0,0,0,0,1|2,0,0]=4 2778 B14R1.2335 COc1ccc(c(c1)CNC(C)C)C 207a_100138425928_100012017359 [1,0,0,0,0,1|1,0,0]=3 2779 B14R1.2335 COc1ccc(c(c1)CNC(C)C)C 34a_100012180165_100000210206 [1,0,0,0,0,1|1,0,0]=3 2780 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Cl 207a_100138425928_100000117592 [1,0,0,0,0,1|2,0,0]=4 2781 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Cl 2230a_100138425928_100000718613 [1,0,0,0,0,1|2,0,0]=4 2782 B14R1.2335 COc1ccc(c(c1)CNC(C)C)Cl 34a_100138425928_100000718613 [1,0,0,0,0,1|2,0,0]=4 2783 B14R1.2335 COc1ccc(c(c1)CNC(C)C)F 207a_100138425928_100000034340 [1,0,0,0,0,1|2,0,0]=4 2784 B14R1.2335 COc1ccc(c(c1)CNC(C)C)F 2230a_100138425928_100010243555 [1,0,0,0,0,1|2,0,0]=4 2785 B14R1.2335 COc1ccc(c(c1)CNC(C)C)F 34a_100016995475_100000210206 [1,0,0,0,0,1|2,0,0]=4 2786 B14R1.2335 COc1ccc(c(c1)CNC(C)C)F 34a_100138425928_100010243555 [1,0,0,0,0,1|2,0,0]=4 2787 B14R1.2335 COc1ccc(c(c1)CNC(C)C)I 207a_100138425928_100010075557 [1,0,0,0,0,1|2,0,0]=4 2788 B14R1.2335 COc1ccc(c(c1)COC(C)C)Br 34a_100000212225_100000761528 [1,0,0,0,0,1|2,0,0]=4 2789 B14R1.2335 COc1ccc(c(c1)COC(C)C)Br 34a_200011273942_100000210206 [1,0,0,0,0,1|2,0,0]=4 2790 B14R1.2335 COc1ccc(c(c1)COC(C)C)Br 7a_200011273942_100000210206 [1,0,0,0,0,1|2,0,0]=4 2791 B14R1.2335 COc1ccc(c(c1)COC(C)C)C 34a_100009841904_100000210206 [1,0,0,0,0,1|1,0,0]=3 2792 B14R1.2335 COc1ccc(c(c1)COC(C)C)C 7a_100009841904_100000210206 [1,0,0,0,0,1|1,0,0]=3 2793 B14R1.2335 COc1ccc(c(c1)COC(C)C)Cl 34a_100000212225_100000718613 [1,0,0,0,0,1|2,0,0]=4 2794 B14R1.2335 COc1ccc(c(c1)COC(C)C)F 34a_100000067870_100000210206 [1,0,0,0,0,1|2,0,0]=4 2795 B14R1.2335 COc1ccc(c(c1)COC(C)C)F 34a_100000212225_100010243555 [1,0,0,0,0,1|2,0,0]=4 2796 B14R1.2335 COc1ccc(c(c1)COC(C)C)F 7a_100000067870_100000210206 [1,0,0,0,0,1|2,0,0]=4 2797 B14R1.2335 COc1ccc(c(c1)COC(C)C)N 34a_100012001277_100000210206 [1,0,0,0,0,1|2,0,0]=4 2798 B14R1.2335 COc1ccc(c(c1)CSC(C)C)Br 62a_100000210206_100000761528 [1,0,0,0,0,1|2,0,0]=4 2799 B14R1.2335 COc1ccc(c(c1)CSC(C)C)Br 62a_100000761528_100000210206 [1,0,0,0,0,1|2,0,0]=4 2800 B14R1.2335 COc1ccc(c(c1)CSC(C)C)Cl 62a_100000210206_100000718613 [1,0,0,0,0,1|2,0,0]=4 2801 B14R1.2335 COc1ccc(c(c1)CSC(C)C)Cl 62a_100000718613_100000210206 [1,0,0,0,0,1|2,0,0]=4 2802 B14R1.2335 COc1ccc(c(c1)CSC(C)C)F 62a_100000210206_100010243555 [1,0,0,0,0,1|2,0,0]=4 2803 B14R1.2335 COc1ccc(c(c1)CSC(C)C)F 62a_100010243555_100000210206 [1,0,0,0,0,1|2,0,0]=4 2804 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)C 2230a_100000760359_100000747473 [1,0,0,0,0,1|1,0,1]=4 2805 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)C 34a_100000760359_100000187820 [1,0,0,0,0,1|1,0,1]=4 2806 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)O 34a_100000188146_100000187820 [1,0,0,0,0,1|1,0,1]=4 2807 B14R1.2335 COc1ccc(c(c1)NCC(C)C)Br 34a_100000748603_100000210624 [1,0,0,0,0,1|2,0,0]=4 2808 B14R1.2335 COc1ccc(c(c1)NCC(C)C)C 2230a_100000760359_100000210760 [1,0,0,0,0,1|1,0,0]=3 2809 B14R1.2335 COc1ccc(c(c1)NCC(C)C)C 34a_100000760359_100000210624 [1,0,0,0,0,1|1,0,0]=3 2810 B14R1.2335 COc1ccc(c(c1)NCC(C)C)Cl 34a_100000745576_100000210624 [1,0,0,0,0,1|2,0,0]=4 2811 B14R1.2335 COc1ccc(c(c1)NCC(C)C)F 34a_100000764331_100000210624 [1,0,0,0,0,1|2,0,0]=4 2812 B14R1.2335 COc1ccc(c(c1)NCC(C)C)I 34a_100000748021_100000210624 [1,0,0,0,0,1|2,0,0]=4 2813 B14R1.2335 COc1ccc(c(c1)NCC(C)C)O 34a_100000188146_100000210624 [1,0,0,0,0,1|1,0,0]=3 2814 B14R1.2335 COc1ccc(c(c1)NCC(C)O)Br 34a_100000748603_100011218427 [1,0,0,0,0,1|2,0,0]=4 2815 B14R1.2335 COc1ccc(c(c1)NCC(C)O)C 2230a_100000760359_100011218427 [1,0,0,0,0,1|1,0,0]=3 2816 B14R1.2335 COc1ccc(c(c1)NCC(C)O)C 34a_100000760359_100011218427 [1,0,0,0,0,1|1,0,0]=3 2817 B14R1.2335 COc1ccc(c(c1)NCC(C)O)Cl 34a_100000745576_100011218427 [1,0,0,0,0,1|2,0,0]=4 2818 B14R1.2335 COc1ccc(c(c1)NCC(C)O)F 34a_100000764331_100011218427 [1,0,0,0,0,1|2,0,0]=4 2819 B14R1.2335 COc1ccc(c(c1)NCC(C)O)I 34a_100000748021_100011218427 [1,0,0,0,0,1|2,0,0]=4 2820 B14R1.2335 COc1ccc(c(c1)NCC(C)O)O 34a_100000188146_100011218427 [1,0,0,0,0,1|1,0,0]=3 2821 B14R1.2335 COc1ccc(c(c1)NCC(F)F)C 2230a_100000760359_100011934356 [1,0,0,0,0,1|2,0,0]=4 2822 B14R1.2335 COc1ccc(c(c1)NCC(F)F)C 34a_100000760359_100011934356 [1,0,0,0,0,1|2,0,0]=4 2823 B14R1.2335 COc1ccc(c(c1)NCC(F)F)O 34a_100000188146_100011934356 [1,0,0,0,0,1|2,0,0]=4 2824 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)Br 34a_100000748603_100009817552 [1,0,0,0,0,1|2,0,0]=4 2825 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)C 2230a_100000760359_100009817552 [1,0,0,0,0,1|1,0,0]=3 2826 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)C 34a_100000760359_100009817552 [1,0,0,0,0,1|1,0,0]=3 2827 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)Cl 34a_100000745576_100009817552 [1,0,0,0,0,1|2,0,0]=4 2828 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)F 34a_100000764331_100009817552 [1,0,0,0,0,1|2,0,0]=4 2829 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)I 34a_100000748021_100009817552 [1,0,0,0,0,1|2,0,0]=4 2830 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)O 34a_100000188146_100009817552 [1,0,0,0,0,1|1,0,0]=3 2831 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)C 34a_100012179981_100000187820 [1,0,0,0,0,1|1,0,1]=4 2832 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)C 7a_100012179981_100000187820 [1,0,0,0,0,1|1,0,1]=4 2833 B14R1.2335 COc1ccc(c(c1)OCC(C)C)Br 34a_100000719091_100000210624 [1,0,0,0,0,1|2,0,0]=4 2834 B14R1.2335 COc1ccc(c(c1)OCC(C)C)Br 7a_100000719091_100000210760 [1,0,0,0,0,1|2,0,0]=4 2835 B14R1.2335 COc1ccc(c(c1)OCC(C)C)C 34a_100012179981_100000210624 [1,0,0,0,0,1|1,0,0]=3 2836 B14R1.2335 COc1ccc(c(c1)OCC(C)C)C 7a_100012179981_100000210760 [1,0,0,0,0,1|1,0,0]=3 2837 B14R1.2335 COc1ccc(c(c1)OCC(C)C)Cl 34a_100011516019_100000210624 [1,0,0,0,0,1|2,0,0]=4 2838 B14R1.2335 COc1ccc(c(c1)OCC(C)C)Cl 7a_100011516019_100000210760 [1,0,0,0,0,1|2,0,0]=4 2839 B14R1.2335 COc1ccc(c(c1)OCC(C)C)F 34a_100012178750_100000210624 [1,0,0,0,0,1|2,0,0]=4 2840 B14R1.2335 COc1ccc(c(c1)OCC(C)C)F 7a_100012178750_100000210760 [1,0,0,0,0,1|2,0,0]=4 2841 B14R1.2335 COc1ccc(c(c1)OCC(C)C)I 34a_100010168831_100000210624 [1,0,0,0,0,1|2,0,0]=4 2842 B14R1.2335 COc1ccc(c(c1)OCC(C)C)I 7a_100010168831_100000210760 [1,0,0,0,0,1|2,0,0]=4 2843 B14R1.2335 COc1ccc(c(c1)OCC(C)C)N 34a_100016989039_100000210624 [1,0,0,0,0,1|2,0,0]=4 2844 B14R1.2335 COc1ccc(c(c1)OCC(C)C)N 7a_100016989039_100000210760 [1,0,0,0,0,1|2,0,0]=4 2845 B14R1.2335 COc1ccc(c(c1)OCC(C)O)Br 34a_100000719091_100011218427 [1,0,0,0,0,1|2,0,0]=4 2846 B14R1.2335 COc1ccc(c(c1)OCC(C)O)Br 7a_100000719091_100011218427 [1,0,0,0,0,1|2,0,0]=4 2847 B14R1.2335 COc1ccc(c(c1)OCC(C)O)C 34a_100012179981_100011218427 [1,0,0,0,0,1|1,0,0]=3 2848 B14R1.2335 COc1ccc(c(c1)OCC(C)O)C 7a_100012179981_100011218427 [1,0,0,0,0,1|1,0,0]=3 2849 B14R1.2335 COc1ccc(c(c1)OCC(C)O)Cl 34a_100011516019_100011218427 [1,0,0,0,0,1|2,0,0]=4 2850 B14R1.2335 COc1ccc(c(c1)OCC(C)O)Cl 7a_100011516019_100011218427 [1,0,0,0,0,1|2,0,0]=4 2851 B14R1.2335 COc1ccc(c(c1)OCC(C)O)F 34a_100012178750_100011218427 [1,0,0,0,0,1|2,0,0]=4 2852 B14R1.2335 COc1ccc(c(c1)OCC(C)O)F 7a_100012178750_100011218427 [1,0,0,0,0,1|2,0,0]=4 2853 B14R1.2335 COc1ccc(c(c1)OCC(C)O)I 34a_100010168831_100011218427 [1,0,0,0,0,1|2,0,0]=4 2854 B14R1.2335 COc1ccc(c(c1)OCC(C)O)I 7a_100010168831_100011218427 [1,0,0,0,0,1|2,0,0]=4 2855 B14R1.2335 COc1ccc(c(c1)OCC(C)O)N 34a_100016989039_100011218427 [1,0,0,0,0,1|2,0,0]=4 2856 B14R1.2335 COc1ccc(c(c1)OCC(C)O)N 7a_100016989039_100011218427 [1,0,0,0,0,1|2,0,0]=4 2857 B14R1.2335 COc1ccc(c(c1)OCC(F)F)C 34a_100012179981_100011934356 [1,0,0,0,0,1|2,0,0]=4 2858 B14R1.2335 COc1ccc(c(c1)OCC(F)F)C 7a_100012179981_100011934356 [1,0,0,0,0,1|2,0,0]=4 2859 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)Br 34a_100000719091_100009817552 [1,0,0,0,0,1|2,0,0]=4 2860 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)Br 7a_100000719091_100009817552 [1,0,0,0,0,1|2,0,0]=4 2861 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)C 34a_100012179981_100009817552 [1,0,0,0,0,1|1,0,0]=3 2862 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)C 7a_100012179981_100009817552 [1,0,0,0,0,1|1,0,0]=3 2863 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)Cl 34a_100011516019_100009817552 [1,0,0,0,0,1|2,0,0]=4 2864 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)Cl 7a_100011516019_100009817552 [1,0,0,0,0,1|2,0,0]=4 2865 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)F 34a_100012178750_100009817552 [1,0,0,0,0,1|2,0,0]=4 2866 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)F 7a_100012178750_100009817552 [1,0,0,0,0,1|2,0,0]=4 2867 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)I 34a_100010168831_100009817552 [1,0,0,0,0,1|2,0,0]=4 2868 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)I 7a_100010168831_100009817552 [1,0,0,0,0,1|2,0,0]=4 2869 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)N 34a_100016989039_100009817552 [1,0,0,0,0,1|2,0,0]=4 2870 B14R1.2335 COc1ccc(c(c1)OC[C@@H](C)O)N 7a_100016989039_100009817552 [1,0,0,0,0,1|2,0,0]=4 2871 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_100012349166 [1,0,0,0,0,1|1,0,1]=4 2872 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)C 62a_100012349166_100000747473 [1,0,0,0,0,1|1,0,1]=4 2873 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000685887 [1,0,0,0,0,1|1,0,1]=4 2874 B14R1.2335 COc1ccc(c(c1)SCC(C)C)Br 62a_100000210624_100009992028 [1,0,0,0,0,1|2,0,0]=4 2875 B14R1.2335 COc1ccc(c(c1)SCC(C)C)Br 62a_100009992028_100000210760 [1,0,0,0,0,1|2,0,0]=4 2876 B14R1.2335 COc1ccc(c(c1)SCC(C)C)C 62a_100000210624_100012349166 [1,0,0,0,0,1|1,0,0]=3 2877 B14R1.2335 COc1ccc(c(c1)SCC(C)C)C 62a_100012349166_100000210760 [1,0,0,0,0,1|1,0,0]=3 2878 B14R1.2335 COc1ccc(c(c1)SCC(C)C)Cl 62a_100000210624_100011356938 [1,0,0,0,0,1|2,0,0]=4 2879 B14R1.2335 COc1ccc(c(c1)SCC(C)C)Cl 62a_100011356938_100000210760 [1,0,0,0,0,1|2,0,0]=4 2880 B14R1.2335 COc1ccc(c(c1)SCC(C)C)F 62a_100000210624_100000699733 [1,0,0,0,0,1|2,0,0]=4 2881 B14R1.2335 COc1ccc(c(c1)SCC(C)C)F 62a_100000699733_100000210760 [1,0,0,0,0,1|2,0,0]=4 2882 B14R1.2335 COc1ccc(c(c1)SCC(C)C)N 62a_100000210624_100015195136 [1,0,0,0,0,1|2,0,0]=4 2883 B14R1.2335 COc1ccc(c(c1)SCC(C)C)N 62a_100015195136_100000210760 [1,0,0,0,0,1|2,0,0]=4 2884 B14R1.2335 COc1ccc(c(c1)SCC(C)C)O 62a_100000210624_100000685887 [1,0,0,0,0,1|1,0,0]=3 2885 B14R1.2335 COc1ccc(c(c1)SCC(C)O)Br 62a_100009992028_100011218427 [1,0,0,0,0,1|2,0,0]=4 2886 B14R1.2335 COc1ccc(c(c1)SCC(C)O)Br 62a_100011218427_100009992028 [1,0,0,0,0,1|2,0,0]=4 2887 B14R1.2335 COc1ccc(c(c1)SCC(C)O)C 62a_100011218427_100012349166 [1,0,0,0,0,1|1,0,0]=3 2888 B14R1.2335 COc1ccc(c(c1)SCC(C)O)C 62a_100012349166_100011218427 [1,0,0,0,0,1|1,0,0]=3 2889 B14R1.2335 COc1ccc(c(c1)SCC(C)O)Cl 62a_100011218427_100011356938 [1,0,0,0,0,1|2,0,0]=4 2890 B14R1.2335 COc1ccc(c(c1)SCC(C)O)Cl 62a_100011356938_100011218427 [1,0,0,0,0,1|2,0,0]=4 2891 B14R1.2335 COc1ccc(c(c1)SCC(C)O)F 62a_100000699733_100011218427 [1,0,0,0,0,1|2,0,0]=4 2892 B14R1.2335 COc1ccc(c(c1)SCC(C)O)F 62a_100011218427_100000699733 [1,0,0,0,0,1|2,0,0]=4 2893 B14R1.2335 COc1ccc(c(c1)SCC(C)O)N 62a_100011218427_100015195136 [1,0,0,0,0,1|2,0,0]=4 2894 B14R1.2335 COc1ccc(c(c1)SCC(C)O)N 62a_100015195136_100011218427 [1,0,0,0,0,1|2,0,0]=4 2895 B14R1.2335 COc1ccc(c(c1)SCC(C)O)O 62a_100011218427_100000685887 [1,0,0,0,0,1|1,0,0]=3 2896 B14R1.2335 COc1ccc(c(c1)SCC(F)F)C 62a_100011934356_100012349166 [1,0,0,0,0,1|2,0,0]=4 2897 B14R1.2335 COc1ccc(c(c1)SCC(F)F)C 62a_100012349166_100011934356 [1,0,0,0,0,1|2,0,0]=4 2898 B14R1.2335 COc1ccc(c(c1)SCC(F)F)O 62a_100011934356_100000685887 [1,0,0,0,0,1|2,0,0]=4 2899 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)Br 62a_100009817552_100009992028 [1,0,0,0,0,1|2,0,0]=4 2900 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)Br 62a_100009992028_100009817552 [1,0,0,0,0,1|2,0,0]=4 2901 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)C 62a_100009817552_100012349166 [1,0,0,0,0,1|1,0,0]=3 2902 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)C 62a_100012349166_100009817552 [1,0,0,0,0,1|1,0,0]=3 2903 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)Cl 62a_100009817552_100011356938 [1,0,0,0,0,1|2,0,0]=4 2904 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)Cl 62a_100011356938_100009817552 [1,0,0,0,0,1|2,0,0]=4 2905 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)F 62a_100000699733_100009817552 [1,0,0,0,0,1|2,0,0]=4 2906 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)F 62a_100009817552_100000699733 [1,0,0,0,0,1|2,0,0]=4 2907 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)N 62a_100009817552_100015195136 [1,0,0,0,0,1|2,0,0]=4 2908 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)N 62a_100015195136_100009817552 [1,0,0,0,0,1|2,0,0]=4 2909 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)O 62a_100009817552_100000685887 [1,0,0,0,0,1|1,0,0]=3 2910 B14R1.1865 C=C(C)CNc1cc(ccc1OC)C 2230a_100000210980_100000748629 [1,0,0,0,0,1|1,0,1]=4 2911 B14R1.1865 C=C(C)CNc1cc(ccc1OC)C 34a_100000210980_100000748629 [1,0,0,0,0,1|1,0,1]=4 2912 B14R1.1865 C=C(C)COc1cc(ccc1OC)C 34a_100011216497_100000748629 [1,0,0,0,0,1|1,0,1]=4 2913 B14R1.1865 C=C(C)COc1cc(ccc1OC)C 7a_100011216497_100000748629 [1,0,0,0,0,1|1,0,1]=4 2914 B14R1.1865 C=C(C)CSc1cc(ccc1OC)C 62a_100000186399_100000211660 [1,0,0,0,0,1|1,0,1]=4 2915 B14R1.1865 C=C(C)CSc1cc(ccc1OC)C 62a_100000748629_100000186399 [1,0,0,0,0,1|1,0,1]=4 2916 B14R1.1865 C=C(C)CSc1cc(ccc1OC)O 62a_100000748629_100010234764 [1,0,0,0,0,1|1,0,1]=4 2917 B14R1.1865 C=C(C)CSc1cc(ccc1OC)O 62a_100010234764_100000211660 [1,0,0,0,0,1|1,0,1]=4 2918 B14R1.1865 CNc1ccc(cc1SCC(C)C)C 62a_100000210624_100000221369 [1,0,0,0,0,1|2,0,0]=4 2919 B14R1.1865 CNc1ccc(cc1SCC(C)C)C 62a_100000221369_100000210760 [1,0,0,0,0,1|2,0,0]=4 2920 B14R1.1865 CNc1ccc(cc1SCC(C)O)C 62a_100000221369_100011218427 [1,0,0,0,0,1|2,0,0]=4 2921 B14R1.1865 CNc1ccc(cc1SCC(C)O)C 62a_100011218427_100000221369 [1,0,0,0,0,1|2,0,0]=4 2922 B14R1.1865 CNc1ccc(cc1SC[C@@H](C)O)C 62a_100000221369_100009817552 [1,0,0,0,0,1|2,0,0]=4 2923 B14R1.1865 CNc1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_100000221369 [1,0,0,0,0,1|2,0,0]=4 2924 B14R1.1865 COc1ccc(cc1C=CC(C)C)C 271570a_100016257149_100000186399 [1,0,0,0,0,1|1,0,1]=4 2925 B14R1.1865 COc1ccc(cc1C=CC(C)C)O 271570a_100016257149_100010084122 [1,0,0,0,0,1|1,0,1]=4 2926 B14R1.1865 COc1ccc(cc1C=CC(C)O)C 271570a_200011019289_100000186399 [1,0,0,0,0,1|1,0,1]=4 2927 B14R1.1865 COc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100010084122 [1,0,0,0,0,1|1,0,1]=4 2928 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 207a_100138425928_100000170026 [1,0,0,0,0,1|2,0,0]=4 2929 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 2230a_100138425928_100000204665 [1,0,0,0,0,1|2,0,0]=4 2930 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 34a_100000690498_100000210206 [1,0,0,0,0,1|2,0,0]=4 2931 B14R1.1865 COc1ccc(cc1CNC(C)C)Br 34a_100138425928_100000204665 [1,0,0,0,0,1|2,0,0]=4 2932 B14R1.1865 COc1ccc(cc1CNC(C)C)C 207a_100138425928_100000203738 [1,0,0,0,0,1|1,0,0]=3 2933 B14R1.1865 COc1ccc(cc1CNC(C)C)C 2230a_100138425928_100000199068 [1,0,0,0,0,1|1,0,0]=3 2934 B14R1.1865 COc1ccc(cc1CNC(C)C)C 34a_100138425928_100000199068 [1,0,0,0,0,1|1,0,0]=3 2935 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 207a_100138425928_100000188328 [1,0,0,0,0,1|2,0,0]=4 2936 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 2230a_100000740580_100000210206 [1,0,0,0,0,1|2,0,0]=4 2937 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 2230a_100138425928_100000209806 [1,0,0,0,0,1|2,0,0]=4 2938 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 34a_100000740580_100000210206 [1,0,0,0,0,1|2,0,0]=4 2939 B14R1.1865 COc1ccc(cc1CNC(C)C)Cl 34a_100138425928_100000209806 [1,0,0,0,0,1|2,0,0]=4 2940 B14R1.1865 COc1ccc(cc1CNC(C)C)F 207a_100138425928_100000722865 [1,0,0,0,0,1|2,0,0]=4 2941 B14R1.1865 COc1ccc(cc1CNC(C)C)F 2230a_100138425928_100011830354 [1,0,0,0,0,1|2,0,0]=4 2942 B14R1.1865 COc1ccc(cc1CNC(C)C)F 34a_100011199032_100000210206 [1,0,0,0,0,1|2,0,0]=4 2943 B14R1.1865 COc1ccc(cc1CNC(C)C)F 34a_100138425928_100011830354 [1,0,0,0,0,1|2,0,0]=4 2944 B14R1.1865 COc1ccc(cc1CNC(C)C)I 207a_100138425928_100011266407 [1,0,0,0,0,1|2,0,0]=4 2945 B14R1.1865 COc1ccc(cc1CNC(C)C)O 207a_100138425928_100000067581 [1,0,0,0,0,1|1,0,0]=3 2946 B14R1.1865 COc1ccc(cc1COC(C)C)Br 34a_100000204679_100000210206 [1,0,0,0,0,1|2,0,0]=4 2947 B14R1.1865 COc1ccc(cc1COC(C)C)Br 34a_100000212225_100000204665 [1,0,0,0,0,1|2,0,0]=4 2948 B14R1.1865 COc1ccc(cc1COC(C)C)Br 7a_100000204679_100000210206 [1,0,0,0,0,1|2,0,0]=4 2949 B14R1.1865 COc1ccc(cc1COC(C)C)C 34a_100000212225_100000199068 [1,0,0,0,0,1|1,0,0]=3 2950 B14R1.1865 COc1ccc(cc1COC(C)C)C 34a_200000246444_100000210206 [1,0,0,0,0,1|1,0,0]=3 2951 B14R1.1865 COc1ccc(cc1COC(C)C)C 7a_200000246444_100000210206 [1,0,0,0,0,1|1,0,0]=3 2952 B14R1.1865 COc1ccc(cc1COC(C)C)Cl 34a_100000212225_100000209806 [1,0,0,0,0,1|2,0,0]=4 2953 B14R1.1865 COc1ccc(cc1COC(C)C)F 34a_100000212225_100011830354 [1,0,0,0,0,1|2,0,0]=4 2954 B14R1.1865 COc1ccc(cc1COC(C)C)F 34a_100011266440_100000210206 [1,0,0,0,0,1|2,0,0]=4 2955 B14R1.1865 COc1ccc(cc1COC(C)C)F 7a_100011266440_100000210206 [1,0,0,0,0,1|2,0,0]=4 2956 B14R1.1865 COc1ccc(cc1COC(C)C)I 34a_200137411115_100000210206 [1,0,0,0,0,1|2,0,0]=4 2957 B14R1.1865 COc1ccc(cc1COC(C)C)I 7a_200137411115_100000210206 [1,0,0,0,0,1|2,0,0]=4 2958 B14R1.1865 COc1ccc(cc1CSC(C)C)Br 62a_100000204665_100000210206 [1,0,0,0,0,1|2,0,0]=4 2959 B14R1.1865 COc1ccc(cc1CSC(C)C)Br 62a_100000210206_100000204665 [1,0,0,0,0,1|2,0,0]=4 2960 B14R1.1865 COc1ccc(cc1CSC(C)C)C 62a_100000199068_100000210206 [1,0,0,0,0,1|1,0,0]=3 2961 B14R1.1865 COc1ccc(cc1CSC(C)C)C 62a_100000210206_100000199068 [1,0,0,0,0,1|1,0,0]=3 2962 B14R1.1865 COc1ccc(cc1CSC(C)C)Cl 62a_100000209806_100000210206 [1,0,0,0,0,1|2,0,0]=4 2963 B14R1.1865 COc1ccc(cc1CSC(C)C)Cl 62a_100000210206_100000209806 [1,0,0,0,0,1|2,0,0]=4 2964 B14R1.1865 COc1ccc(cc1CSC(C)C)F 62a_100000210206_100011830354 [1,0,0,0,0,1|2,0,0]=4 2965 B14R1.1865 COc1ccc(cc1CSC(C)C)F 62a_100011830354_100000210206 [1,0,0,0,0,1|2,0,0]=4 2966 B14R1.1865 COc1ccc(cc1NCC(=O)N)C 2230a_100000210980_100000747473 [1,0,0,0,0,1|1,0,1]=4 2967 B14R1.1865 COc1ccc(cc1NCC(=O)N)C 34a_100000210980_100000187820 [1,0,0,0,0,1|1,0,1]=4 2968 B14R1.1865 COc1ccc(cc1NCC(C)C)Br 34a_100000743470_100000210624 [1,0,0,0,0,1|2,0,0]=4 2969 B14R1.1865 COc1ccc(cc1NCC(C)C)C 2230a_100000210980_100000210760 [1,0,0,0,0,1|1,0,0]=3 2970 B14R1.1865 COc1ccc(cc1NCC(C)C)C 34a_100000210980_100000210624 [1,0,0,0,0,1|1,0,0]=3 2971 B14R1.1865 COc1ccc(cc1NCC(C)C)Cl 34a_100000182114_100000210624 [1,0,0,0,0,1|2,0,0]=4 2972 B14R1.1865 COc1ccc(cc1NCC(C)C)F 34a_100000757179_100000210624 [1,0,0,0,0,1|2,0,0]=4 2973 B14R1.1865 COc1ccc(cc1NCC(C)O)Br 34a_100000743470_100011218427 [1,0,0,0,0,1|2,0,0]=4 2974 B14R1.1865 COc1ccc(cc1NCC(C)O)C 2230a_100000210980_100011218427 [1,0,0,0,0,1|1,0,0]=3 2975 B14R1.1865 COc1ccc(cc1NCC(C)O)C 34a_100000210980_100011218427 [1,0,0,0,0,1|1,0,0]=3 2976 B14R1.1865 COc1ccc(cc1NCC(C)O)Cl 34a_100000182114_100011218427 [1,0,0,0,0,1|2,0,0]=4 2977 B14R1.1865 COc1ccc(cc1NCC(C)O)F 34a_100000757179_100011218427 [1,0,0,0,0,1|2,0,0]=4 2978 B14R1.1865 COc1ccc(cc1NCC(F)F)C 2230a_100000210980_100011934356 [1,0,0,0,0,1|2,0,0]=4 2979 B14R1.1865 COc1ccc(cc1NCC(F)F)C 34a_100000210980_100011934356 [1,0,0,0,0,1|2,0,0]=4 2980 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)Br 34a_100000743470_100009817552 [1,0,0,0,0,1|2,0,0]=4 2981 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)C 2230a_100000210980_100009817552 [1,0,0,0,0,1|1,0,0]=3 2982 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)C 34a_100000210980_100009817552 [1,0,0,0,0,1|1,0,0]=3 2983 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)Cl 34a_100000182114_100009817552 [1,0,0,0,0,1|2,0,0]=4 2984 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)F 34a_100000757179_100009817552 [1,0,0,0,0,1|2,0,0]=4 2985 B14R1.1865 COc1ccc(cc1OCC(=O)N)C 34a_100011216497_100000187820 [1,0,0,0,0,1|1,0,1]=4 2986 B14R1.1865 COc1ccc(cc1OCC(=O)N)C 7a_100011216497_100000187820 [1,0,0,0,0,1|1,0,1]=4 2987 B14R1.1865 COc1ccc(cc1OCC(C)C)Br 34a_100009816560_100000210624 [1,0,0,0,0,1|2,0,0]=4 2988 B14R1.1865 COc1ccc(cc1OCC(C)C)Br 7a_100009816560_100000210760 [1,0,0,0,0,1|2,0,0]=4 2989 B14R1.1865 COc1ccc(cc1OCC(C)C)C 34a_100011216497_100000210624 [1,0,0,0,0,1|1,0,0]=3 2990 B14R1.1865 COc1ccc(cc1OCC(C)C)C 7a_100011216497_100000210760 [1,0,0,0,0,1|1,0,0]=3 2991 B14R1.1865 COc1ccc(cc1OCC(C)C)Cl 34a_100000101779_100000210624 [1,0,0,0,0,1|2,0,0]=4 2992 B14R1.1865 COc1ccc(cc1OCC(C)C)Cl 7a_100000101779_100000210760 [1,0,0,0,0,1|2,0,0]=4 2993 B14R1.1865 COc1ccc(cc1OCC(C)C)F 34a_100000034962_100000210624 [1,0,0,0,0,1|2,0,0]=4 2994 B14R1.1865 COc1ccc(cc1OCC(C)C)F 7a_100000034962_100000210760 [1,0,0,0,0,1|2,0,0]=4 2995 B14R1.1865 COc1ccc(cc1OCC(C)C)N 34a_100000211920_100000210624 [1,0,0,0,0,1|2,0,0]=4 2996 B14R1.1865 COc1ccc(cc1OCC(C)O)Br 34a_100009816560_100011218427 [1,0,0,0,0,1|2,0,0]=4 2997 B14R1.1865 COc1ccc(cc1OCC(C)O)Br 7a_100009816560_100011218427 [1,0,0,0,0,1|2,0,0]=4 2998 B14R1.1865 COc1ccc(cc1OCC(C)O)C 34a_100011216497_100011218427 [1,0,0,0,0,1|1,0,0]=3 2999 B14R1.1865 COc1ccc(cc1OCC(C)O)C 7a_100011216497_100011218427 [1,0,0,0,0,1|1,0,0]=3 3000 B14R1.1865 COc1ccc(cc1OCC(C)O)Cl 34a_100000101779_100011218427 [1,0,0,0,0,1|2,0,0]=4 3001 B14R1.1865 COc1ccc(cc1OCC(C)O)Cl 7a_100000101779_100011218427 [1,0,0,0,0,1|2,0,0]=4 3002 B14R1.1865 COc1ccc(cc1OCC(C)O)F 34a_100000034962_100011218427 [1,0,0,0,0,1|2,0,0]=4 3003 B14R1.1865 COc1ccc(cc1OCC(C)O)F 7a_100000034962_100011218427 [1,0,0,0,0,1|2,0,0]=4 3004 B14R1.1865 COc1ccc(cc1OCC(C)O)N 34a_100000211920_100011218427 [1,0,0,0,0,1|2,0,0]=4 3005 B14R1.1865 COc1ccc(cc1OCC(F)F)C 34a_100011216497_100011934356 [1,0,0,0,0,1|2,0,0]=4 3006 B14R1.1865 COc1ccc(cc1OCC(F)F)C 7a_100011216497_100011934356 [1,0,0,0,0,1|2,0,0]=4 3007 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Br 34a_100009816560_100009817552 [1,0,0,0,0,1|2,0,0]=4 3008 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Br 7a_100009816560_100009817552 [1,0,0,0,0,1|2,0,0]=4 3009 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)C 34a_100011216497_100009817552 [1,0,0,0,0,1|1,0,0]=3 3010 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)C 7a_100011216497_100009817552 [1,0,0,0,0,1|1,0,0]=3 3011 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Cl 34a_100000101779_100009817552 [1,0,0,0,0,1|2,0,0]=4 3012 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Cl 7a_100000101779_100009817552 [1,0,0,0,0,1|2,0,0]=4 3013 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)F 34a_100000034962_100009817552 [1,0,0,0,0,1|2,0,0]=4 3014 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)F 7a_100000034962_100009817552 [1,0,0,0,0,1|2,0,0]=4 3015 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)N 34a_100000211920_100009817552 [1,0,0,0,0,1|2,0,0]=4 3016 B14R1.1865 COc1ccc(cc1SCC(=O)N)C 62a_100000186399_100000747473 [1,0,0,0,0,1|1,0,1]=4 3017 B14R1.1865 COc1ccc(cc1SCC(=O)N)C 62a_100000747473_100000186399 [1,0,0,0,0,1|1,0,1]=4 3018 B14R1.1865 COc1ccc(cc1SCC(=O)N)O 62a_100000747473_100010234764 [1,0,0,0,0,1|1,0,1]=4 3019 B14R1.1865 COc1ccc(cc1SCC(=O)N)O 62a_100010234764_100000747473 [1,0,0,0,0,1|1,0,1]=4 3020 B14R1.1865 COc1ccc(cc1SCC(C)C)Br 62a_100000210624_100012351588 [1,0,0,0,0,1|2,0,0]=4 3021 B14R1.1865 COc1ccc(cc1SCC(C)C)Br 62a_100012351588_100000210760 [1,0,0,0,0,1|2,0,0]=4 3022 B14R1.1865 COc1ccc(cc1SCC(C)C)C 62a_100000186399_100000210760 [1,0,0,0,0,1|1,0,0]=3 3023 B14R1.1865 COc1ccc(cc1SCC(C)C)C 62a_100000210624_100000186399 [1,0,0,0,0,1|1,0,0]=3 3024 B14R1.1865 COc1ccc(cc1SCC(C)C)Cl 62a_100000210624_100011215930 [1,0,0,0,0,1|2,0,0]=4 3025 B14R1.1865 COc1ccc(cc1SCC(C)C)Cl 62a_100011215930_100000210760 [1,0,0,0,0,1|2,0,0]=4 3026 B14R1.1865 COc1ccc(cc1SCC(C)C)F 62a_100000171694_100000210760 [1,0,0,0,0,1|2,0,0]=4 3027 B14R1.1865 COc1ccc(cc1SCC(C)C)F 62a_100000210624_100000171694 [1,0,0,0,0,1|2,0,0]=4 3028 B14R1.1865 COc1ccc(cc1SCC(C)C)N 62a_100000210624_100011356947 [1,0,0,0,0,1|2,0,0]=4 3029 B14R1.1865 COc1ccc(cc1SCC(C)C)N 62a_100011356947_100000210760 [1,0,0,0,0,1|2,0,0]=4 3030 B14R1.1865 COc1ccc(cc1SCC(C)C)O 62a_100000210624_100010234764 [1,0,0,0,0,1|1,0,0]=3 3031 B14R1.1865 COc1ccc(cc1SCC(C)C)O 62a_100010234764_100000210760 [1,0,0,0,0,1|1,0,0]=3 3032 B14R1.1865 COc1ccc(cc1SCC(C)O)Br 62a_100011218427_100012351588 [1,0,0,0,0,1|2,0,0]=4 3033 B14R1.1865 COc1ccc(cc1SCC(C)O)Br 62a_100012351588_100011218427 [1,0,0,0,0,1|2,0,0]=4 3034 B14R1.1865 COc1ccc(cc1SCC(C)O)C 62a_100000186399_100011218427 [1,0,0,0,0,1|1,0,0]=3 3035 B14R1.1865 COc1ccc(cc1SCC(C)O)C 62a_100011218427_100000186399 [1,0,0,0,0,1|1,0,0]=3 3036 B14R1.1865 COc1ccc(cc1SCC(C)O)Cl 62a_100011215930_100011218427 [1,0,0,0,0,1|2,0,0]=4 3037 B14R1.1865 COc1ccc(cc1SCC(C)O)Cl 62a_100011218427_100011215930 [1,0,0,0,0,1|2,0,0]=4 3038 B14R1.1865 COc1ccc(cc1SCC(C)O)F 62a_100000171694_100011218427 [1,0,0,0,0,1|2,0,0]=4 3039 B14R1.1865 COc1ccc(cc1SCC(C)O)F 62a_100011218427_100000171694 [1,0,0,0,0,1|2,0,0]=4 3040 B14R1.1865 COc1ccc(cc1SCC(C)O)N 62a_100011218427_100011356947 [1,0,0,0,0,1|2,0,0]=4 3041 B14R1.1865 COc1ccc(cc1SCC(C)O)N 62a_100011356947_100011218427 [1,0,0,0,0,1|2,0,0]=4 3042 B14R1.1865 COc1ccc(cc1SCC(C)O)O 62a_100010234764_100011218427 [1,0,0,0,0,1|1,0,0]=3 3043 B14R1.1865 COc1ccc(cc1SCC(C)O)O 62a_100011218427_100010234764 [1,0,0,0,0,1|1,0,0]=3 3044 B14R1.1865 COc1ccc(cc1SCC(F)F)C 62a_100000186399_100011934356 [1,0,0,0,0,1|2,0,0]=4 3045 B14R1.1865 COc1ccc(cc1SCC(F)F)C 62a_100011934356_100000186399 [1,0,0,0,0,1|2,0,0]=4 3046 B14R1.1865 COc1ccc(cc1SCC(F)F)O 62a_100010234764_100011934356 [1,0,0,0,0,1|2,0,0]=4 3047 B14R1.1865 COc1ccc(cc1SCC(F)F)O 62a_100011934356_100010234764 [1,0,0,0,0,1|2,0,0]=4 3048 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Br 62a_100009817552_100012351588 [1,0,0,0,0,1|2,0,0]=4 3049 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Br 62a_100012351588_100009817552 [1,0,0,0,0,1|2,0,0]=4 3050 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)C 62a_100000186399_100009817552 [1,0,0,0,0,1|1,0,0]=3 3051 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_100000186399 [1,0,0,0,0,1|1,0,0]=3 3052 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Cl 62a_100009817552_100011215930 [1,0,0,0,0,1|2,0,0]=4 3053 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Cl 62a_100011215930_100009817552 [1,0,0,0,0,1|2,0,0]=4 3054 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)F 62a_100000171694_100009817552 [1,0,0,0,0,1|2,0,0]=4 3055 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)F 62a_100009817552_100000171694 [1,0,0,0,0,1|2,0,0]=4 3056 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)N 62a_100009817552_100011356947 [1,0,0,0,0,1|2,0,0]=4 3057 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)N 62a_100011356947_100009817552 [1,0,0,0,0,1|2,0,0]=4 3058 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)O 62a_100009817552_100010234764 [1,0,0,0,0,1|1,0,0]=3 3059 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)O 62a_100010234764_100009817552 [1,0,0,0,0,1|1,0,0]=3 3060 B14R1.1865 COc1ccc(nc1SCC(C)C)C 62a_100000210624_100009820875 [1,0,0,0,0,1|2,0,0]=4 3061 B14R1.1865 COc1ccc(nc1SCC(C)C)C 62a_100009820875_100000210760 [1,0,0,0,0,1|2,0,0]=4 3062 B14R1.1865 COc1ccc(nc1SCC(C)O)C 62a_100009820875_100011218427 [1,0,0,0,0,1|2,0,0]=4 3063 B14R1.1865 COc1ccc(nc1SCC(C)O)C 62a_100011218427_100009820875 [1,0,0,0,0,1|2,0,0]=4 3064 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)C 62a_100009817552_100009820875 [1,0,0,0,0,1|2,0,0]=4 3065 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)C 62a_100009820875_100009817552 [1,0,0,0,0,1|2,0,0]=4 3066 B14R1.1865 COc1cnc(cc1SCC(C)C)C 62a_100000210624_100010109759 [1,0,0,0,0,1|2,0,0]=4 3067 B14R1.1865 COc1cnc(cc1SCC(C)C)C 62a_100010109759_100000210760 [1,0,0,0,0,1|2,0,0]=4 3068 B14R1.1865 COc1cnc(cc1SCC(C)O)C 62a_100010109759_100011218427 [1,0,0,0,0,1|2,0,0]=4 3069 B14R1.1865 COc1cnc(cc1SCC(C)O)C 62a_100011218427_100010109759 [1,0,0,0,0,1|2,0,0]=4 3070 B14R1.1865 COc1cnc(cc1SC[C@@H](C)O)C 62a_100009817552_100010109759 [1,0,0,0,0,1|2,0,0]=4 3071 B14R1.1865 COc1cnc(cc1SC[C@@H](C)O)C 62a_100010109759_100009817552 [1,0,0,0,0,1|2,0,0]=4 3072 B14R1.1865 COc1ncc(cc1CNC(C)C)C 207a_100138425928_100000118322 [1,0,0,0,0,1|2,0,0]=4 3073 B14R1.1865 COc1ncc(cc1SCC(C)C)C 62a_100000210624_100012353929 [1,0,0,0,0,1|2,0,0]=4 3074 B14R1.1865 COc1ncc(cc1SCC(C)C)C 62a_100012353929_100000210760 [1,0,0,0,0,1|2,0,0]=4 3075 B14R1.1865 COc1ncc(cc1SCC(C)O)C 62a_100011218427_100012353929 [1,0,0,0,0,1|2,0,0]=4 3076 B14R1.1865 COc1ncc(cc1SCC(C)O)C 62a_100012353929_100011218427 [1,0,0,0,0,1|2,0,0]=4 3077 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)C 62a_100009817552_100012353929 [1,0,0,0,0,1|2,0,0]=4 3078 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)C 62a_100012353929_100009817552 [1,0,0,0,0,1|2,0,0]=4 3079 B14R1.1865 CSc1ccc(cc1SCC(C)C)C 62a_100000210624_200010201864 [1,0,0,0,0,1|1,1,0]=4 3080 B14R1.1865 CSc1ccc(cc1SCC(C)C)C 62a_200010201864_100000210760 [1,0,0,0,0,1|1,1,0]=4 3081 B14R1.1865 CSc1ccc(cc1SCC(C)O)C 62a_100011218427_200010201864 [1,0,0,0,0,1|1,1,0]=4 3082 B14R1.1865 CSc1ccc(cc1SCC(C)O)C 62a_200010201864_100011218427 [1,0,0,0,0,1|1,1,0]=4 3083 B14R1.1865 CSc1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_200010201864 [1,0,0,0,0,1|1,1,0]=4 3084 B14R1.1865 CSc1ccc(cc1SC[C@@H](C)O)C 62a_200010201864_100009817552 [1,0,0,0,0,1|1,1,0]=4 3085 B14R1.101 COc1cc(c(cn1)SC(C)C)OC 62a_100000210206_100010191559 [0,0,0,0,1,1|2,0,0]=4 3086 B14R1.101 COc1cc(c(cn1)SC(C)C)OC 62a_100010191559_100000210206 [0,0,0,0,1,1|2,0,0]=4 3087 B14R1.101 COc1ccc(c(c1)OC)CC(=O)C 1458a_100000195418_200000210301 [0,0,0,0,1,1|1,0,1]=4 3088 B14R1.101 COc1ccc(c(c1)OC)CC(=O)[13CH3] 1458a_100000195418_200025704644 [0,0,0,0,1,1|1,0,1]=4 3089 B14R1.101 COc1ccc(c(c1)OC)CN(C)C 2230a_100000184527_200000210301 [0,0,0,0,1,1|2,0,0]=4 3090 B14R1.101 COc1ccc(c(c1)OC)CN(C)C 269982a_100000184527_200000210301 [0,0,0,0,1,1|2,0,0]=4 3091 B14R1.101 COc1ccc(c(c1)OC)CN(C)C 270004a_100102631434_100000188320 [0,0,0,0,1,1|2,0,0]=4 3092 B14R1.101 COc1ccc(c(c1)OC)CN(C)[13CH3] 2230a_100000184527_200025704644 [0,0,0,0,1,1|2,0,0]=4 3093 B14R1.101 COc1ccc(c(c1)OC)CN(C)[13CH3] 269982a_100000184527_200025704644 [0,0,0,0,1,1|2,0,0]=4 3094 B14R1.101 COc1ccc(c(c1)OC)NC(C)C 2230a_100000211191_100000210206 [0,0,0,0,1,1|2,0,0]=4 3095 B14R1.101 COc1ccc(c(c1)OC)NC(C)C 34a_100000211191_100000210206 [0,0,0,0,1,1|2,0,0]=4 3096 B14R1.101 COc1ccc(c(c1)OC)OC(C)C 34a_100009840267_100000210206 [0,0,0,0,1,1|2,0,0]=4 3097 B14R1.101 COc1ccc(c(c1)OC)SC(C)C 62a_100000210206_100000750026 [0,0,0,0,1,1|2,0,0]=4 3098 B14R1.101 COc1ccc(c(c1)OC)SC(C)C 62a_100000750026_100000210206 [0,0,0,0,1,1|2,0,0]=4 3099 B14R1.379 COc1cc(cc(c1)OC(C)C)OC 34a_100000181322_100000210206 [0,0,0,0,1,1|2,0,0]=4 3100 B14R1.379 COc1cc(cc(c1)OC(C)C)OC 7a_100000181322_100000210206 [0,0,0,0,1,1|2,0,0]=4 3101 B14R1.379 COc1cc(cc(c1)OC)CC(=O)C 1458a_100000070787_100011215721 [0,0,0,0,1,1|1,0,1]=4 3102 B14R1.379 COc1cc(cc(c1)OC)CC(=O)C 1458a_100011214962_200000210301 [0,0,0,0,1,1|1,0,1]=4 3103 B14R1.379 COc1cc(cc(c1)OC)CC(=O)[13CH3] 1458a_100011214962_200025704644 [0,0,0,0,1,1|1,0,1]=4 3104 B14R1.379 COc1cc(cc(c1)OC)CN(C)C 2230a_100000207622_200000210301 [0,0,0,0,1,1|2,0,0]=4 3105 B14R1.379 COc1cc(cc(c1)OC)CN(C)C 2230a_100102631434_100011215721 [0,0,0,0,1,1|2,0,0]=4 3106 B14R1.379 COc1cc(cc(c1)OC)CN(C)C 269982a_100000207622_200000210301 [0,0,0,0,1,1|2,0,0]=4 3107 B14R1.379 COc1cc(cc(c1)OC)CN(C)C 269982a_100102631434_100011215721 [0,0,0,0,1,1|2,0,0]=4 3108 B14R1.379 COc1cc(cc(c1)OC)CN(C)C 270004a_100102631434_100000211681 [0,0,0,0,1,1|2,0,0]=4 3109 B14R1.379 COc1cc(cc(c1)OC)CN(C)[13CH3] 2230a_100000207622_200025704644 [0,0,0,0,1,1|2,0,0]=4 3110 B14R1.379 COc1cc(cc(c1)OC)CN(C)[13CH3] 269982a_100000207622_200025704644 [0,0,0,0,1,1|2,0,0]=4 3111 B14R1.379 COc1cc(cc(c1)OC)NC(C)C 2230a_100000210928_100000210206 [0,0,0,0,1,1|2,0,0]=4 3112 B14R1.379 COc1cc(cc(c1)OC)NC(C)C 34a_100000210928_100000210206 [0,0,0,0,1,1|2,0,0]=4 3113 B14R1.379 COc1cc(cc(c1)SC(C)C)OC 62a_100000210206_100000685218 [0,0,0,0,1,1|2,0,0]=4 3114 B14R1.379 COc1cc(nc(c1)SC(C)C)OC 62a_100000210206_100010008354 [0,0,0,0,1,1|2,0,0]=4 3115 B14R1.379 COc1cc(nc(c1)SC(C)C)OC 62a_100010008354_100000210206 [0,0,0,0,1,1|2,0,0]=4 3116 B14R1.2180 COc1cccc(c1CN(C)C)OC 270004a_100102631434_100000691606 [0,0,0,0,1,1|2,0,0]=4 3117 B14R1.2180 COc1cccc(c1NC(C)C)OC 2230a_100011218430_100000210206 [0,0,0,0,1,1|2,0,0]=4 3118 B14R1.2180 COc1cccc(c1NC(C)C)OC 34a_100011218430_100000210206 [0,0,0,0,1,1|2,0,0]=4 3119 B14R1.2180 COc1cccc(c1OC(C)C)OC 34a_100000211025_100000210206 [0,0,0,0,1,1|2,0,0]=4 3120 B14R1.2180 COc1cccc(c1SC(C)C)OC 62a_100000210206_100000690108 [0,0,0,0,1,1|2,0,0]=4 3121 B14R1.2180 COc1cccc(c1SC(C)C)OC 62a_100000690108_100000210206 [0,0,0,0,1,1|2,0,0]=4 3122 B14R1.2180 COc1ccnc(c1SC(C)C)OC 62a_100000210206_100010114374 [0,0,0,0,1,1|2,0,0]=4 3123 B14R1.2180 COc1ccnc(c1SC(C)C)OC 62a_100010114374_100000210206 [0,0,0,0,1,1|2,0,0]=4 3124 B14R1.2180 COc1cncc(c1SC(C)C)OC 62a_100000210206_200010191558 [0,0,0,0,1,1|2,0,0]=4 3125 B14R1.2180 COc1cncc(c1SC(C)C)OC 62a_200010191558_100000210206 [0,0,0,0,1,1|2,0,0]=4 3126 B16R1.5681 C=C(C)CCNc1cc(ccc1OC)OC 2230a_100000184736_100000730704 [0,0,0,0,0,2|1,0,1]=4 3127 B16R1.5681 C=C(C)CCNc1cc(ccc1OC)OC 34a_100000184736_100000730704 [0,0,0,0,0,2|1,0,1]=4 3128 B16R1.5681 C=C(C)CCOc1cc(ccc1OC)OC 34a_100000074795_100000730704 [0,0,0,0,0,2|1,0,1]=4 3129 B16R1.5681 C=C(C)CCSc1cc(ccc1OC)OC 62a_100000730704_100011215452 [0,0,0,0,0,2|1,0,1]=4 3130 B16R1.5681 C=C(C)CCSc1cc(ccc1OC)OC 62a_100011215452_100000730704 [0,0,0,0,0,2|1,0,1]=4 3131 B16R1.5681 C=C(C)CNCc1cc(ccc1OC)OC 34a_100000185951_100000748629 [0,0,0,0,0,2|1,0,1]=4 3132 B16R1.5681 C=C(C)COCc1cc(ccc1OC)OC 34a_100000210245_100011233847 [0,0,0,0,0,2|1,0,1]=4 3133 B16R1.5681 C=C(C)COCc1cc(ccc1OC)OC 34a_100000212306_100000748629 [0,0,0,0,0,2|1,0,1]=4 3134 B16R1.5681 C=C(C)CSCc1cc(ccc1OC)OC 62a_100000205131_100000211660 [0,0,0,0,0,2|1,0,1]=4 3135 B16R1.5681 C=C(C)CSCc1cc(ccc1OC)OC 62a_100000748629_100011233847 [0,0,0,0,0,2|1,0,1]=4 3136 B16R1.5681 CCc1ccc(c(c1)C=CCC(C)C)OC 271570a_100016259101_100010062400 [0,0,0,0,0,2|2,0,0]=4 3137 B16R1.5681 CCc1ccc(c(c1)CNCC(C)C)OC 207a_100000210953_200000117280 [0,0,0,0,0,2|2,0,0]=4 3138 B16R1.5681 CCc1ccc(c(c1)CNCC(C)C)OC 26a_100000210953_100009844796 [0,0,0,0,0,2|2,0,0]=4 3139 B16R1.5681 CCc1ccc(c(c1)CNCC(C)C)OC 270004a_100000210953_200000117280 [0,0,0,0,0,2|2,0,0]=4 3140 B16R1.5681 CCc1ccc(c(c1)CNCC(C)O)OC 207a_100000210904_200000117280 [0,0,0,0,0,2|2,0,0]=4 3141 B16R1.5681 CCc1ccc(c(c1)CNCC(C)O)OC 270004a_100000210904_200000117280 [0,0,0,0,0,2|2,0,0]=4 3142 B16R1.5681 CCc1ccc(c(c1)NCCC(C)C)OC 2230a_100012035449_100000210312 [0,0,0,0,0,2|2,0,0]=4 3143 B16R1.5681 CCc1ccc(c(c1)NCCC(C)C)OC 34a_100012035449_100000210312 [0,0,0,0,0,2|2,0,0]=4 3144 B16R1.5681 CCc1ccc(c(c1)NCCC(C)O)OC 2230a_100012035449_100012276601 [0,0,0,0,0,2|2,0,0]=4 3145 B16R1.5681 CCc1ccc(c(c1)NCCC(C)O)OC 34a_100012035449_100012276601 [0,0,0,0,0,2|2,0,0]=4 3146 B16R1.5681 CCc1ccc(c(c1)NCOC(C)C)OC 2230a_100012035449_100000709892 [0,0,0,0,0,2|2,0,0]=4 3147 B16R1.5681 CCc1ccc(c(c1)NCOC(C)C)OC 34a_100012035449_100000709892 [0,0,0,0,0,2|2,0,0]=4 3148 B16R1.5681 CCc1ccc(c(c1)OCCC(C)C)OC 34a_100009844796_100000210312 [0,0,0,0,0,2|2,0,0]=4 3149 B16R1.5681 CCc1ccc(c(c1)OCCC(C)C)OC 7a_100009844796_100000210626 [0,0,0,0,0,2|2,0,0]=4 3150 B16R1.5681 CCc1ccc(c(c1)OCCC(C)O)OC 34a_100009844796_100012276601 [0,0,0,0,0,2|2,0,0]=4 3151 B16R1.5681 CCc1ccc(c(c1)OCCC(C)O)OC 7a_100009844796_100012276601 [0,0,0,0,0,2|2,0,0]=4 3152 B16R1.5681 CCc1ccc(c(c1)OCOC(C)C)OC 34a_100009844796_100000709892 [0,0,0,0,0,2|2,0,0]=4 3153 B16R1.5681 CCc1ccc(c(c1)SCCC(C)C)OC 62a_100000210312_100010062400 [0,0,0,0,0,2|2,0,0]=4 3154 B16R1.5681 CCc1ccc(c(c1)SCCC(C)C)OC 62a_100010062400_100000210312 [0,0,0,0,0,2|2,0,0]=4 3155 B16R1.5681 CCc1ccc(c(c1)SCCC(C)O)OC 62a_100010062400_100012276601 [0,0,0,0,0,2|2,0,0]=4 3156 B16R1.5681 CCc1ccc(c(c1)SCCC(C)O)OC 62a_100012276601_100010062400 [0,0,0,0,0,2|2,0,0]=4 3157 B16R1.5681 CCc1ccc(c(c1)SCOC(C)C)OC 62a_100000709892_100010062400 [0,0,0,0,0,2|2,0,0]=4 3158 B16R1.5681 CCc1ccc(c(c1)SCOC(C)C)OC 62a_100010062400_100000709892 [0,0,0,0,0,2|2,0,0]=4 3159 B16R1.5681 CNc1ccc(c(c1)C=CCC(C)C)OC 271570a_100016259101_114948341033 [0,0,0,0,0,2|2,0,0]=4 3160 B16R1.5681 CNc1ccc(c(c1)SCCC(C)C)OC 62a_100000210312_114948341033 [0,0,0,0,0,2|2,0,0]=4 3161 B16R1.5681 CNc1ccc(c(c1)SCCC(C)C)OC 62a_114948341033_100000210312 [0,0,0,0,0,2|2,0,0]=4 3162 B16R1.5681 CNc1ccc(c(c1)SCCC(C)O)OC 62a_100012276601_114948341033 [0,0,0,0,0,2|2,0,0]=4 3163 B16R1.5681 CNc1ccc(c(c1)SCCC(C)O)OC 62a_114948341033_100012276601 [0,0,0,0,0,2|2,0,0]=4 3164 B16R1.5681 CNc1ccc(c(c1)SCOC(C)C)OC 62a_100000709892_114948341033 [0,0,0,0,0,2|2,0,0]=4 3165 B16R1.5681 CNc1ccc(c(c1)SCOC(C)C)OC 62a_114948341033_100000709892 [0,0,0,0,0,2|2,0,0]=4 3166 B16R1.5681 COc1ccc(c(c1)C=CCC(C)C)OC 271570a_100016259101_100011215452 [0,0,0,0,0,2|1,0,0]=3 3167 B16R1.5681 COc1ccc(c(c1)C=NNC(C)C)OC 4a_100000741168_100000170336 [0,0,0,0,0,2|1,0,1]=4 3168 B16R1.5681 COc1ccc(c(c1)CNCC(=O)N)OC 34a_100000185951_100000187820 [0,0,0,0,0,2|1,0,1]=4 3169 B16R1.5681 COc1ccc(c(c1)CNCC(C)C)OC 207a_100000210953_100000170336 [0,0,0,0,0,2|1,0,0]=3 3170 B16R1.5681 COc1ccc(c(c1)CNCC(C)C)OC 26a_100000210953_100000074795 [0,0,0,0,0,2|1,0,0]=3 3171 B16R1.5681 COc1ccc(c(c1)CNCC(C)C)OC 270004a_100000185951_100000210432 [0,0,0,0,0,2|1,0,0]=3 3172 B16R1.5681 COc1ccc(c(c1)CNCC(C)C)OC 270004a_100000210953_100000170336 [0,0,0,0,0,2|1,0,0]=3 3173 B16R1.5681 COc1ccc(c(c1)CNCC(C)C)OC 34a_100000185951_100000210624 [0,0,0,0,0,2|1,0,0]=3 3174 B16R1.5681 COc1ccc(c(c1)CNCC(C)C)OC 34a_100000210953_100011233847 [0,0,0,0,0,2|1,0,0]=3 3175 B16R1.5681 COc1ccc(c(c1)CNCC(C)O)OC 207a_100000210904_100000170336 [0,0,0,0,0,2|1,0,0]=3 3176 B16R1.5681 COc1ccc(c(c1)CNCC(C)O)OC 270004a_100000210904_100000170336 [0,0,0,0,0,2|1,0,0]=3 3177 B16R1.5681 COc1ccc(c(c1)CNCC(C)O)OC 34a_100000185951_100011218427 [0,0,0,0,0,2|1,0,0]=3 3178 B16R1.5681 COc1ccc(c(c1)CNCC(C)O)OC 34a_100000210904_100011233847 [0,0,0,0,0,2|1,0,0]=3 3179 B16R1.5681 COc1ccc(c(c1)CNCC(F)F)OC 207a_100000765723_100000170336 [0,0,0,0,0,2|2,0,0]=4 3180 B16R1.5681 COc1ccc(c(c1)CNCC(F)F)OC 270004a_100000765723_100000170336 [0,0,0,0,0,2|2,0,0]=4 3181 B16R1.5681 COc1ccc(c(c1)CNCC(F)F)OC 34a_100000185951_100011934356 [0,0,0,0,0,2|2,0,0]=4 3182 B16R1.5681 COc1ccc(c(c1)CNCC(F)F)OC 34a_100000765723_100011233847 [0,0,0,0,0,2|2,0,0]=4 3183 B16R1.5681 COc1ccc(c(c1)CNC[C@@H](C)O)OC 34a_100000185951_100009817552 [0,0,0,0,0,2|1,0,0]=3 3184 B16R1.5681 COc1ccc(c(c1)COCC(=O)C)OC 34a_100000211253_100011233847 [0,0,0,0,0,2|1,0,1]=4 3185 B16R1.5681 COc1ccc(c(c1)COCC(=O)N)OC 34a_100000212306_100000187820 [0,0,0,0,0,2|1,0,1]=4 3186 B16R1.5681 COc1ccc(c(c1)COCC(C)Br)OC 34a_100012180447_100011233847 [0,0,0,0,0,2|1,0,0]=3 3187 B16R1.5681 COc1ccc(c(c1)COCC(C)C)OC 34a_100000210257_100011233847 [0,0,0,0,0,2|1,0,0]=3 3188 B16R1.5681 COc1ccc(c(c1)COCC(C)C)OC 34a_100000212306_100000210624 [0,0,0,0,0,2|1,0,0]=3 3189 B16R1.5681 COc1ccc(c(c1)COCC(C)F)OC 34a_100015925927_100011233847 [0,0,0,0,0,2|1,0,0]=3 3190 B16R1.5681 COc1ccc(c(c1)COCC(C)O)OC 34a_100000212306_100011218427 [0,0,0,0,0,2|1,0,0]=3 3191 B16R1.5681 COc1ccc(c(c1)COCC(F)F)OC 34a_100000212306_100011934356 [0,0,0,0,0,2|2,0,0]=4 3192 B16R1.5681 COc1ccc(c(c1)COCC(F)F)OC 34a_100000743014_100011233847 [0,0,0,0,0,2|2,0,0]=4 3193 B16R1.5681 COc1ccc(c(c1)COC[C@@H](C)Cl)OC 34a_100016084084_100011233847 [0,0,0,0,0,2|1,0,0]=3 3194 B16R1.5681 COc1ccc(c(c1)COC[C@@H](C)N)OC 34a_100000737577_100011233847 [0,0,0,0,0,2|0,0,0]=2 3195 B16R1.5681 COc1ccc(c(c1)COC[C@@H](C)O)OC 34a_100000212306_100009817552 [0,0,0,0,0,2|1,0,0]=3 3196 B16R1.5681 COc1ccc(c(c1)CSCC(=O)N)OC 62a_100000205131_100000747473 [0,0,0,0,0,2|1,0,1]=4 3197 B16R1.5681 COc1ccc(c(c1)CSCC(=O)N)OC 62a_100000747473_100011233847 [0,0,0,0,0,2|1,0,1]=4 3198 B16R1.5681 COc1ccc(c(c1)CSCC(C)C)OC 62a_100000205131_100000210760 [0,0,0,0,0,2|1,0,0]=3 3199 B16R1.5681 COc1ccc(c(c1)CSCC(C)C)OC 62a_100000210624_100011233847 [0,0,0,0,0,2|1,0,0]=3 3200 B16R1.5681 COc1ccc(c(c1)CSCC(C)O)OC 62a_100000205131_100011218427 [0,0,0,0,0,2|1,0,0]=3 3201 B16R1.5681 COc1ccc(c(c1)CSCC(C)O)OC 62a_100011218427_100011233847 [0,0,0,0,0,2|1,0,0]=3 3202 B16R1.5681 COc1ccc(c(c1)CSCC(F)F)OC 62a_100000205131_100011934356 [0,0,0,0,0,2|2,0,0]=4 3203 B16R1.5681 COc1ccc(c(c1)CSCC(F)F)OC 62a_100011934356_100011233847 [0,0,0,0,0,2|2,0,0]=4 3204 B16R1.5681 COc1ccc(c(c1)CSC[C@@H](C)O)OC 62a_100000205131_100009817552 [0,0,0,0,0,2|1,0,0]=3 3205 B16R1.5681 COc1ccc(c(c1)CSC[C@@H](C)O)OC 62a_100009817552_100011233847 [0,0,0,0,0,2|1,0,0]=3 3206 B16R1.5681 COc1ccc(c(c1)NCC=C(C)C)OC 2230a_100000184736_100000761012 [0,0,0,0,0,2|1,0,1]=4 3207 B16R1.5681 COc1ccc(c(c1)NCC=C(C)C)OC 34a_100000184736_100000761012 [0,0,0,0,0,2|1,0,1]=4 3208 B16R1.5681 COc1ccc(c(c1)NCCC(=O)N)OC 2230a_100000184736_100000744528 [0,0,0,0,0,2|1,0,1]=4 3209 B16R1.5681 COc1ccc(c(c1)NCCC(=O)N)OC 34a_100000184736_100000731001 [0,0,0,0,0,2|1,0,1]=4 3210 B16R1.5681 COc1ccc(c(c1)NCCC(C)C)OC 2230a_100000184736_100000210312 [0,0,0,0,0,2|1,0,0]=3 3211 B16R1.5681 COc1ccc(c(c1)NCCC(C)C)OC 34a_100000184736_100000210312 [0,0,0,0,0,2|1,0,0]=3 3212 B16R1.5681 COc1ccc(c(c1)NCCC(C)O)OC 2230a_100000184736_100012276601 [0,0,0,0,0,2|1,0,0]=3 3213 B16R1.5681 COc1ccc(c(c1)NCCC(C)O)OC 34a_100000184736_100012276601 [0,0,0,0,0,2|1,0,0]=3 3214 B16R1.5681 COc1ccc(c(c1)NCOC(=O)C)OC 34a_100000184736_100009813279 [0,0,0,0,0,2|1,0,1]=4 3215 B16R1.5681 COc1ccc(c(c1)NCOC(C)C)OC 2230a_100000184736_100000709892 [0,0,0,0,0,2|1,0,0]=3 3216 B16R1.5681 COc1ccc(c(c1)NCOC(C)C)OC 34a_100000184736_100000709892 [0,0,0,0,0,2|1,0,0]=3 3217 B16R1.5681 COc1ccc(c(c1)OCC=C(C)C)OC 34a_100000074795_100000761012 [0,0,0,0,0,2|1,0,1]=4 3218 B16R1.5681 COc1ccc(c(c1)OCCC(=O)C)OC 1458a_200011015877_200000210301 [0,0,0,0,0,2|1,0,1]=4 3219 B16R1.5681 COc1ccc(c(c1)OCCC(=O)N)OC 34a_100000074795_100000731001 [0,0,0,0,0,2|1,0,1]=4 3220 B16R1.5681 COc1ccc(c(c1)OCCC(=O)[13CH3])OC 1458a_200011015877_200025704644 [0,0,0,0,0,2|1,0,1]=4 3221 B16R1.5681 COc1ccc(c(c1)OCCC(C)C)OC 34a_100000074795_100000210312 [0,0,0,0,0,2|1,0,0]=3 3222 B16R1.5681 COc1ccc(c(c1)OCCC(C)O)OC 34a_100000074795_100012276601 [0,0,0,0,0,2|1,0,0]=3 3223 B16R1.5681 COc1ccc(c(c1)OCOC(=O)C)OC 34a_100000074795_100009813279 [0,0,0,0,0,2|1,0,1]=4 3224 B16R1.5681 COc1ccc(c(c1)OCOC(C)C)OC 34a_100000074795_100000709892 [0,0,0,0,0,2|1,0,0]=3 3225 B16R1.5681 COc1ccc(c(c1)SCC=C(C)C)OC 62a_100000761012_100011215452 [0,0,0,0,0,2|1,0,1]=4 3226 B16R1.5681 COc1ccc(c(c1)SCC=C(C)C)OC 62a_100011215452_100000761012 [0,0,0,0,0,2|1,0,1]=4 3227 B16R1.5681 COc1ccc(c(c1)SCCC(=O)C)OC 62a_100000053229_100011215452 [0,0,0,0,0,2|1,0,1]=4 3228 B16R1.5681 COc1ccc(c(c1)SCCC(=O)C)OC 62a_100011215452_100000053229 [0,0,0,0,0,2|1,0,1]=4 3229 B16R1.5681 COc1ccc(c(c1)SCCC(=O)N)OC 62a_100000744528_100011215452 [0,0,0,0,0,2|1,0,1]=4 3230 B16R1.5681 COc1ccc(c(c1)SCCC(=O)N)OC 62a_100011215452_100000744528 [0,0,0,0,0,2|1,0,1]=4 3231 B16R1.5681 COc1ccc(c(c1)SCCC(C)C)OC 62a_100000210312_100011215452 [0,0,0,0,0,2|1,0,0]=3 3232 B16R1.5681 COc1ccc(c(c1)SCCC(C)C)OC 62a_100011215452_100000210312 [0,0,0,0,0,2|1,0,0]=3 3233 B16R1.5681 COc1ccc(c(c1)SCCC(C)O)OC 62a_100011215452_100012276601 [0,0,0,0,0,2|1,0,0]=3 3234 B16R1.5681 COc1ccc(c(c1)SCCC(C)O)OC 62a_100012276601_100011215452 [0,0,0,0,0,2|1,0,0]=3 3235 B16R1.5681 COc1ccc(c(c1)SCCN(C)C)OC 62a_100011215452_100000755713 [0,0,0,0,0,2|2,0,0]=4 3236 B16R1.5681 COc1ccc(c(c1)SCOC(=O)C)OC 62a_100000076356_100011215452 [0,0,0,0,0,2|1,0,1]=4 3237 B16R1.5681 COc1ccc(c(c1)SCOC(=O)C)OC 62a_100011215452_100000076356 [0,0,0,0,0,2|1,0,1]=4 3238 B16R1.5681 COc1ccc(c(c1)SCOC(C)C)OC 62a_100000709892_100011215452 [0,0,0,0,0,2|1,0,0]=3 3239 B16R1.5681 COc1ccc(c(c1)SCOC(C)C)OC 62a_100011215452_100000709892 [0,0,0,0,0,2|1,0,0]=3 3240 B16R1.5681 COc1ccc(cc1COC[C@@H](C)N)C=O 34a_100000737577_100000028394 [0,0,0,0,0,2|2,0,0]=4