0 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [0,0,0,0,0,0|3,1,0]=4 24 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.56 C=C(C)c1cnc(c(n1)OC)O 271570a_100000694244_200010365344 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,0,0,0,0,0|2,0,0]=2 45 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,0,0,0,0,0|2,0,0]=2 46 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,0,0,0,0,0|2,0,0]=2 47 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,0,0,0,0,0|2,0,0]=2 48 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,0,0,0,0,0|2,1,0]=3 49 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,0,0,0,0,0|2,1,0]=3 50 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,0,0,0,0,0|2,1,0]=3 51 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,0,0,0,0,0|2,1,0]=3 52 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,0,0,0,0,0|2,1,0]=3 53 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,0,0,0,0,0|2,1,0]=3 54 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,0,0,0,0,0|2,1,0]=3 55 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,0,0,0,0,0|1,1,0]=2 56 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200010135287_200025704644 [0,0,0,0,0,0|3,1,0]=4 57 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_200010135287 [0,0,0,0,0,0|3,1,0]=4 58 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_100011191524_200025704644 [0,0,0,0,0,0|2,1,1]=4 61 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011191524 [0,0,0,0,0,0|2,1,1]=4 62 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.56 CNc1cc(cnc1F)C(=O)C 27a_100102657272_200010135287 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,0,0,0,0,0|2,0,0]=2 81 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,0,0,0,0,0|2,0,0]=2 82 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,0,0,0,0,0|2,0,1]=3 85 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,0,0,0,0,0|2,0,1]=3 86 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,0,0,0,0,0|2,0,0]=2 88 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,0,0,0,0,0|2,0,0]=2 89 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,0,0,0,0,0|2,0,0]=2 90 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,0,0,0,0,0|2,0,1]=3 93 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,0,0,0,0,0|2,0,1]=3 94 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,0,0,0,0,0|2,0,0]=2 95 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,0,0,0,0,0|2,0,0]=2 96 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,0,0,0,0,0|2,0,1]=3 97 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,0,0,0,0,0|2,0,1]=3 98 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,0,0,0,0,0|2,0,0]=2 99 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,0,0,0,0,0|2,0,0]=2 100 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,0,0,0,0,0|2,0,0]=2 101 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,0,0,0,0,0|4,0,0]=4 110 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,0,0,0,0,0|2,0,1]=3 111 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,0,0,0,0,0|2,0,0]=2 113 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,0,0,0,0,0|2,0,0]=2 114 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,0,0,0,0,0|2,0,1]=3 115 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,0,0,0,0,0|2,0,1]=3 116 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,0,0,0,0,0|2,0,0]=2 117 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,0,0,0,0,0|2,0,0]=2 118 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,0,0,0,0,0|2,0,1]=3 119 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,0,0,0,0,0|2,0,1]=3 120 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,0,0,0,0,0|1,0,1]=2 121 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,0,0,0,0,0|1,0,0]=1 122 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,0,0,0,0,0|1,0,0]=1 123 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,0,0,0,0,0|1,0,0]=1 124 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,0,0,0,0,0|1,0,0]=1 125 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,0,0,0,0,0|2,0,1]=3 126 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200000210301 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200000210301 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,0,0,0,0,0|2,1,0]=3 132 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,0,0,0,0,0|2,1,0]=3 133 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200000210301_200010223333 [0,0,0,0,0,0|2,1,1]=4 134 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200010223333_200000210301 [0,0,0,0,0,0|2,1,1]=4 135 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,0,0,0,0,0|2,1,0]=3 136 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,0,0,0,0,0|2,1,0]=3 137 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,0,0,0,0,0|2,1,0]=3 138 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,0,0,0,0,0|2,1,0]=3 139 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_100010175509_200000210301 [0,0,0,0,0,0|2,1,1]=4 140 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_200000210301_100010175509 [0,0,0,0,0,0|2,1,1]=4 141 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,0,0,0,0,0|2,1,0]=3 142 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,0,0,0,0,0|2,1,0]=3 143 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,0,0,0,0,0|2,1,0]=3 144 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,0,0,0,0,0|2,1,0]=3 145 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_100011191524_200000210301 [0,0,0,0,0,0|2,1,1]=4 146 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_200000210301_100011191524 [0,0,0,0,0,0|2,1,1]=4 147 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,0,0,0,0,0|2,1,0]=3 148 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,0,0,0,0,0|1,1,0]=2 149 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200000210301_200010135287 [0,0,0,0,0,0|3,1,0]=4 150 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200010135287_200000210301 [0,0,0,0,0,0|3,1,0]=4 151 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,0,0,0,0,0|2,0,1]=3 158 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,0,0,0,0,0|2,0,1]=3 159 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200010223333_200025704644 [0,0,0,0,0,0|2,1,1]=4 160 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200025704644_200010223333 [0,0,0,0,0,0|2,1,1]=4 161 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,0,0,0,0,0|2,1,0]=3 162 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,0,0,0,0,0|2,1,0]=3 163 B12R1.56 N#Cc1cc(ccc1O)B(O)O 271570a_203496583355_100000049296 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.56 O=Cc1cc(ccc1O)B(O)O 271570a_203496583355_200011083945 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,0,0,0,0,0|4,0,0]=4 166 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,0,0,0,0,0|4,0,0]=4 167 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,0,0,0,0,0|4,0,0]=4 168 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,0,0,0,0,0|3,0,0]=3 169 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,0,0,0,0,0|4,0,0]=4 170 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,0,0,0,0,0|3,0,0]=3 174 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,0,0,0,0,0|2,0,1]=3 176 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,0,0,0,0,0|2,0,0]=2 177 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,0,0,0,0,0|2,0,0]=2 178 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,0,0,0,0,0|2,0,1]=3 179 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,0,0,0,0,0|2,0,1]=3 180 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,0,0,0,0,0|2,0,1]=3 181 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,0,0,0,0,0|2,0,1]=3 182 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,0,0,0,0,0|2,0,1]=3 183 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,0,0,0,0,0|2,0,1]=3 184 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,0,0,0,0,0|2,0,1]=3 185 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,0,0,0,0,0|2,0,1]=3 186 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,0,0,0,0,0|2,0,0]=2 187 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,0,0,0,0,0|2,0,0]=2 188 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,0,0,0,0,0|2,0,1]=3 189 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,0,0,0,0,0|2,0,1]=3 190 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200025704644 [0,0,0,0,0,0|3,0,1]=4 191 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200025704644 [0,0,0,0,0,0|3,0,1]=4 192 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200025704644 [0,0,0,0,0,0|3,0,1]=4 193 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_100010175509_200025704644 [0,0,0,0,0,0|2,1,1]=4 195 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_200025704644_100010175509 [0,0,0,0,0,0|2,1,1]=4 196 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,0,0,0,0,0|2,1,0]=3 197 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,0,0,0,0,0|2,1,0]=3 198 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,0,0,0,0,0|3,0,0]=4 200 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,0,0,0,0,0|2,0,0]=3 215 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,0,0,0,0,0|2,0,0]=3 218 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,0,0,0,0,0|2,0,0]=3 224 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,0,0,0,0,0|2,0,0]=3 225 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,0,0,0,0,0|1,0,0]=2 231 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,0,0,0,0,0|1,0,0]=2 232 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,0,0,0,0,0|2,0,0]=3 244 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,0,0,0,0,0|2,0,0]=3 253 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,0,0,0,0,0|2,0,0]=3 254 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,0,0,0,0,0|2,0,0]=3 255 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,0,0,0,0,0|2,0,0]=3 256 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,0,0,0,0,0|2,0,0]=3 259 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,0,0,0,0,0|2,0,0]=3 261 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,0,0,0,0,0|1,0,0]=2 262 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,0,0,0,0,0|1,0,0]=2 263 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,0,0,0,0,0|2,0,0]=3 264 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,0,0,0,0,0|1,0,1]=3 271 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,0,0,0,0,0|1,0,0]=2 272 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,0,0,0,0,0|1,0,0]=2 273 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.21 Cc1cc(cnc1O)B(O)O 271570a_203496583355_100000061933 [1,0,0,0,0,0|2,0,1]=4 275 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,0,0,0,0,0|2,0,0]=3 277 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [1,0,0,0,0,0|2,0,1]=4 281 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,0,0,0,0,0|2,0,0]=3 282 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,0,0,0,0,0|2,0,0]=3 284 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,0,0,0,0,0|2,0,0]=3 285 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,0,0,0,0,0|2,0,0]=3 286 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,0,0,0,0,0|1,0,0]=2 287 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,0,0,0,0,0|2,0,0]=3 294 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,0,0,0,0,0|3,0,0]=4 298 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,0,0,0,0,0|2,0,0]=3 299 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,0,0,0,0,0|2,0,0]=3 304 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,0,0,0,0,0|2,0,0]=3 310 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,0,0,0,0,0|2,0,0]=3 312 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,0,0,0,0,0|1,0,0]=2 314 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [1,0,0,0,0,0|3,0,0]=4 318 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [1,0,0,0,0,0|2,0,0]=3 320 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [1,0,0,0,0,0|2,1,0]=4 321 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [1,0,0,0,0,0|2,1,0]=4 322 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [1,0,0,0,0,0|2,1,0]=4 323 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [1,0,0,0,0,0|2,1,0]=4 324 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [1,0,0,0,0,0|2,1,0]=4 325 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [1,0,0,0,0,0|2,0,1]=4 330 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [1,0,0,0,0,0|2,0,1]=4 331 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [1,0,0,0,0,0|2,1,0]=4 333 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [1,0,0,0,0,0|2,1,0]=4 334 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,0,0,0,0,0|1,0,0]=2 337 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,0,0,0,0,0|1,0,0]=2 338 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,0,0,0,0,0|1,1,0]=3 339 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,0,0,0,0,0|1,1,0]=3 340 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [1,0,0,0,0,0|2,1,0]=4 341 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [1,0,0,0,0,0|2,1,0]=4 342 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [1,0,0,0,0,0|2,1,0]=4 343 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [1,0,0,0,0,0|2,1,0]=4 344 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [1,0,0,0,0,0|2,1,0]=4 345 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [1,0,0,0,0,0|2,1,0]=4 346 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [1,0,0,0,0,0|2,0,1]=4 347 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [1,0,0,0,0,0|2,0,1]=4 348 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [1,0,0,0,0,0|1,0,1]=3 353 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [1,0,0,0,0,0|1,0,1]=3 354 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [1,0,0,0,0,0|1,1,1]=4 355 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [1,0,0,0,0,0|1,1,1]=4 356 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,0,0,0,0,0|2,0,0]=3 358 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,0,0,0,0,0|2,0,0]=3 360 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [1,0,0,0,0,0|2,0,1]=4 361 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [1,0,0,0,0,0|2,0,1]=4 362 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [1,0,0,0,0,0|3,0,0]=4 365 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [1,0,0,0,0,0|3,0,0]=4 366 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,0,0,0,0,0|1,0,0]=2 367 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,0,0,0,0,0|1,0,0]=2 368 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,0,0,0,0,0|1,0,0]=2 369 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,0,0,0,0,0|1,0,0]=2 370 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,0,0,0,0,0|1,0,0]=2 371 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,0,0,0,0,0|1,0,0]=2 372 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [1,0,0,0,0,0|1,1,0]=3 373 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [1,0,0,0,0,0|2,0,1]=4 376 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [1,0,0,0,0,0|2,0,1]=4 377 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [1,0,0,0,0,0|1,0,1]=3 378 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [1,0,0,0,0,0|1,0,1]=3 379 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,0,0,0,0,0|1,0,1]=3 387 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,0,0,0,0,0|1,0,1]=3 388 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [1,0,0,0,0,0|2,0,1]=4 390 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [1,0,0,0,0,0|2,1,0]=4 392 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [1,0,0,0,0,0|2,1,0]=4 393 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [1,0,0,0,0,0|2,1,0]=4 394 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [1,0,0,0,0,0|2,1,0]=4 395 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [1,0,0,0,0,0|2,1,0]=4 396 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [1,0,0,0,0,0|2,1,0]=4 397 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [1,0,0,0,0,0|1,1,1]=4 398 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [1,0,0,0,0,0|1,1,1]=4 399 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,0,0,0,0,0|1,1,0]=3 400 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,0,0,0,0,0|1,1,0]=3 401 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,0,0,0,0,0|1,1,0]=3 402 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,0,0,0,0,0|1,1,0]=3 403 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,0,0,0,0,0|1,1,0]=3 404 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,0,0,0,0,0|1,1,0]=3 405 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [1,0,0,0,0,0|1,1,1]=4 406 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [1,0,0,0,0,0|1,1,1]=4 407 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [1,0,0,0,0,0|2,1,0]=4 408 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [1,0,0,0,0,0|2,1,0]=4 409 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [1,0,0,0,0,0|2,1,0]=4 410 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [1,0,0,0,0,0|2,1,0]=4 411 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [1,0,0,0,0,0|2,1,0]=4 412 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [1,0,0,0,0,0|2,1,0]=4 413 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [1,0,0,0,0,0|2,1,0]=4 414 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [1,0,0,0,0,0|2,1,0]=4 415 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [1,0,0,0,0,0|2,1,0]=4 416 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [1,0,0,0,0,0|2,1,0]=4 417 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [1,0,0,0,0,0|2,1,0]=4 418 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [1,0,0,0,0,0|2,1,0]=4 419 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [1,0,0,0,0,0|2,1,0]=4 420 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [1,0,0,0,0,0|2,1,0]=4 421 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,0,0,0,0,0|2,0,1]=4 425 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,0,0,0,0,0|1,0,0]=2 426 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,0,0,0,0,0|1,0,0]=2 427 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [1,0,0,0,0,0|1,1,0]=3 428 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,0,0,0,0,0|1,0,1]=3 429 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,0,0,0,0,0|1,0,1]=3 430 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [1,0,0,0,0,0|2,0,0]=3 431 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [1,0,0,0,0,0|2,0,1]=4 432 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [1,0,0,0,0,0|2,1,0]=4 434 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [1,0,0,0,0,0|2,1,0]=4 435 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [1,0,0,0,0,0|1,1,1]=4 436 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [1,0,0,0,0,0|1,1,1]=4 437 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,0,0,0,0,0|1,1,0]=3 438 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,0,0,0,0,0|1,1,0]=3 439 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [1,0,0,0,0,0|2,1,0]=4 440 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [1,0,0,0,0,0|2,1,0]=4 441 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [1,0,0,0,0,0|2,1,0]=4 442 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [1,0,0,0,0,0|2,1,0]=4 443 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [1,0,0,0,0,0|2,1,0]=4 444 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [1,0,0,0,0,0|2,1,0]=4 445 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,0,0,0,0,0|2,0,1]=4 446 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,0,0,0,0,0|3,0,0]=4 447 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,0,0,0,0,0|3,0,0]=4 448 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [1,0,0,0,0,0|2,0,1]=4 450 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [1,0,0,0,0,0|2,0,1]=4 451 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [1,0,0,0,0,0|2,0,1]=4 452 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [1,0,0,0,0,0|2,0,1]=4 453 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,0,0,0,0,0|1,0,1]=3 454 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [1,0,0,0,0,0|1,0,2]=4 455 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [1,0,0,0,0,0|2,0,1]=4 456 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,0,0,0,0,0|3,0,0]=4 457 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,0,0,0,0,0|3,0,0]=4 459 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,0,0,0,0,0|3,0,0]=4 460 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,0,0,0,0,0|3,0,0]=4 461 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,0,0,0,0,0|2,0,0]=3 462 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,0,0,0,0,0|3,0,0]=4 463 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,0,0,0,0,0|3,0,0]=4 464 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,0,0,0,0,0|3,0,0]=4 465 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,0,0,0,0,0|3,0,0]=4 466 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,0,0,0,0,0|3,0,0]=4 467 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,0,0,0,0,0|2,0,0]=3 468 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,0,0,0,0,0|2,0,0]=3 469 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,0,0,0,0,0|2,0,0]=3 470 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,0,0,0,0,0|2,0,0]=3 471 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,0,0,0,0,0|2,0,0]=3 472 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,0,0,0,0,0|1,0,0]=2 473 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,0,0,0,0,0|2,1,0]=4 474 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,0,0,0,0,0|3,0,0]=4 475 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,0,0,0,0,0|3,0,0]=4 477 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,0,0,0,0,0|3,0,0]=4 478 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [1,0,0,0,0,0|2,0,1]=4 481 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,0,0,0,0,0|3,0,0]=4 482 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,0,0,0,0,0|3,0,0]=4 483 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,0,0,0,0,0|3,0,0]=4 484 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,0,0,0,0,0|2,0,1]=4 485 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,0,0,0,0,0|2,0,1]=4 486 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 487 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 488 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,0,0,0,0,0|1,0,1]=3 489 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 490 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 491 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,0,0,0,0,0|1,1,1]=4 492 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,0,0,0,0,0|1,1,1]=4 493 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,0,0,0,0,0|1,1,1]=4 494 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,0,0,0,0,0|1,1,1]=4 495 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [1,0,0,0,0,0|2,0,1]=4 496 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [1,0,0,0,0,0|2,0,1]=4 497 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [1,0,0,0,0,0|2,0,1]=4 498 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [1,0,0,0,0,0|2,0,1]=4 499 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [1,0,0,0,0,0|2,0,1]=4 501 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 503 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,0,0,0,0,0|1,0,1]=3 504 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,0,0,0,0,0|3,0,0]=4 505 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,0,0,0,0,0|3,0,0]=4 506 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,0,0,0,0,0|3,0,0]=4 507 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,0,0,0,0,0|3,0,0]=4 508 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,0,0,0,0,0|3,0,0]=4 509 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,0,0,0,0,0|3,0,0]=4 510 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,0,0,0,0,0|3,0,0]=4 512 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,0,0,0,0,0|3,0,0]=4 513 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,0,0,0,0,0|3,0,0]=4 514 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,0,0,0,0,0|2,0,0]=3 515 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [1,0,0,0,0,0|3,0,0]=4 516 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 517 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 518 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,0,0,0,0,0|1,0,1]=3 519 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,0,0,0,0,0|1,0,1]=3 520 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,0,0,0,0,0|3,0,0]=4 521 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,0,0,0,0,0|3,0,0]=4 522 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,0,0,0,0,0|3,0,0]=4 523 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,0,0,0,0,0|3,0,0]=4 524 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,0,0,0,0,0|3,0,0]=4 525 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,0,0,0,0,0|3,0,0]=4 526 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,0,0,0,0,0|3,0,0]=4 527 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,0,0,0,0,0|3,0,0]=4 528 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 529 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 530 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,0,0,0,0,0|3,0,0]=4 531 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,0,0,0,0,0|3,0,0]=4 532 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,0,0,0,0,0|3,0,0]=4 533 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,0,0,0,0,0|3,0,0]=4 534 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,0,0,0,0,0|3,0,0]=4 535 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,0,0,0,0,0|3,0,0]=4 536 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,0,0,0,0,0|3,0,0]=4 537 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,0,0,0,0,0|3,0,0]=4 538 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 539 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 540 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,1]=4 541 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,0,0,0,0,0|1,0,1]=3 542 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,0,0,0,0,0|1,0,1]=3 543 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,0,0,0,0,0|3,0,0]=4 544 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,0,0,0,0,0|3,0,0]=4 545 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,0,0,0,0,0|3,0,0]=4 546 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,0,0,0,0,0|3,0,0]=4 547 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,0,0,0,0,0|3,0,0]=4 548 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,0,0,0,0,0|3,0,0]=4 549 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,0,0,0,0,0|3,0,0]=4 550 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,0,0,0,0,0|3,0,0]=4 551 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 552 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 553 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,1]=4 554 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,0,0,0,0,0|1,0,1]=3 555 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,0,0,0,0,0|1,0,1]=3 556 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,0,0,0,0,0|3,0,0]=4 557 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,0,0,0,0,0|3,0,0]=4 558 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,0,0,0,0,0|3,0,0]=4 559 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,0,0,0,0,0|3,0,0]=4 560 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,0,0,0,0,0|3,0,0]=4 561 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,0,0,0,0,0|3,0,0]=4 562 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,0,0,0,0,0|3,0,0]=4 563 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,0,0,0,0,0|3,0,0]=4 564 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 565 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 566 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,0,0,0,0,0|1,0,1]=3 567 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,0,0,0,0,0|1,0,1]=3 568 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,0,0,0,0,0|3,0,0]=4 569 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 570 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 571 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,0,0,0,0,0|3,0,0]=4 572 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,0,0,0,0,0|3,0,0]=4 573 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,0,0,0,0,0|3,0,0]=4 574 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,0,0,0,0,0|3,0,0]=4 575 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,0,0,0,0,0|3,0,0]=4 576 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,0,0,0,0,0|3,0,0]=4 577 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,0,0,0,0,0|1,0,1]=3 578 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,0,0,0,0,0|0,0,0]=1 579 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,0,0,0,0,0|0,0,1]=2 580 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,0,0,0,0,0|2,0,0]=3 581 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,0,0,0,0,0|2,0,0]=3 582 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,0,0,0,0,0|2,0,0]=3 583 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [1,0,0,0,0,0|2,0,1]=4 584 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [1,0,0,0,0,0|2,0,1]=4 585 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,0,0,0,0,0|1,0,1]=3 586 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,0,0,0,0,0|3,0,0]=4 587 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,0,0,0,0,0|3,0,0]=4 588 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,0,0,0,0,0|3,0,0]=4 589 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,0,0,0,0,0|3,0,0]=4 590 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,0,0,0,0,0|3,0,0]=4 591 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,0,0,0,0,0|3,0,0]=4 592 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,0,0,0,0,0|3,0,0]=4 593 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,0,0,0,0,0|3,0,0]=4 594 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,0,0,0,0,0|3,0,0]=4 595 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,0,0,0,0,0|3,0,0]=4 596 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,0,0,0,0,0|3,0,0]=4 598 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,0,0,0,0,0|3,0,0]=4 599 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,0,0,0,0,0|3,0,0]=4 600 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,0,0,0,0,0|3,0,0]=4 601 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,0,0,0,0,0|3,0,0]=4 602 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,0,0,0,0,0|3,0,0]=4 603 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,0,0,0,0,0|3,0,0]=4 604 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,0,0,0,0,0|3,0,0]=4 605 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,0,0,0,0,0|3,0,0]=4 608 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 609 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,0,0,0,0,0|2,0,0]=3 610 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,0,0,0,0,0|3,0,0]=4 611 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,0,0,0,0,0|3,0,0]=4 612 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,0,0,0,0,0|3,0,0]=4 613 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,0,0,0,0,0|3,0,0]=4 614 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,0,0,0,0,0|3,0,0]=4 615 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,0,0,0,0,0|3,0,0]=4 616 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,0,0,0,0,0|3,0,0]=4 617 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,0,0,0,0,0|3,0,0]=4 618 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,0,0,0,0,0|3,0,0]=4 619 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,0,0,0,0,0|3,0,0]=4 620 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 621 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 622 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,0,0,0,0,0|2,1,0]=4 623 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,0,0,0,0,0|2,1,0]=4 624 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [1,0,0,0,0,0|3,0,0]=4 625 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [1,0,0,0,0,0|3,0,0]=4 626 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [1,0,0,0,0,0|3,0,0]=4 627 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,0,0,0,0,0|1,1,0]=3 628 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,0,0,0,0,0|1,1,0]=3 629 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,0,0,0,0,0|1,1,0]=3 630 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,0,0,0,0,0|1,1,0]=3 631 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [1,0,0,0,0,0|1,1,1]=4 632 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [1,0,0,0,0,0|1,1,1]=4 633 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,0,0,0,0,0|1,1,0]=3 634 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,0,0,0,0,0|1,1,0]=3 635 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,0,0,0,0,0|1,1,0]=3 636 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,0,0,0,0,0|1,1,0]=3 637 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [1,0,0,0,0,0|1,1,1]=4 638 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [1,0,0,0,0,0|1,1,1]=4 639 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [1,0,0,0,0,0|1,1,1]=4 640 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,0,0,0,0,0|0,1,0]=2 641 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,0,0,0,0,0|0,1,0]=2 642 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,0,0,0,0,0|0,1,1]=3 643 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,0,0,0,0,0|0,1,1]=3 644 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [1,0,0,0,0,0|2,1,0]=4 645 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [1,0,0,0,0,0|2,1,0]=4 646 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,0,0,0,0,0|1,1,0]=3 647 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,0,0,0,0,0|1,1,0]=3 648 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [1,0,0,0,0,0|2,1,0]=4 649 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [1,0,0,0,0,0|2,1,0]=4 650 B11R1.280 CSc1nc(ccc1O)CO 62a_200000210301_200000118097 [1,0,0,0,0,0|1,1,1]=4 651 B11R1.280 CSc1nc(ccc1O)CO 62a_200009817064_200000210301 [1,0,0,0,0,0|1,1,1]=4 652 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [1,0,0,0,0,0|2,0,1]=4 653 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [1,0,0,0,0,0|2,0,1]=4 654 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 655 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 656 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,0,0,0,0,0|1,1,0]=3 657 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,0,0,0,0,0|1,1,0]=3 658 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [1,0,0,0,0,0|1,1,1]=4 659 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [1,0,0,0,0,0|1,1,1]=4 660 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [1,0,0,0,0,0|2,1,0]=4 661 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [1,0,0,0,0,0|2,1,0]=4 662 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,0,0,0,0,0|2,0,0]=3 663 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [1,0,0,0,0,0|2,0,1]=4 664 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,0,0,0,0,0|2,0,0]=3 665 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [1,0,0,0,0,0|2,0,1]=4 666 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [1,0,0,0,0,0|2,0,1]=4 667 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [1,0,0,0,0,0|2,0,1]=4 668 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [1,0,0,0,0,0|2,0,1]=4 669 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 670 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 671 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,0,0,0,0,0|1,0,1]=3 672 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 673 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 674 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,0,0,0,0,0|1,0,1]=3 675 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,0,0,0,0,0|1,0,1]=3 676 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 677 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 678 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,1]=4 679 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,0,0,0,0,0|1,0,1]=3 680 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,0,0,0,0,0|1,0,1]=3 681 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 682 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 683 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,1]=4 684 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,0,0,0,0,0|1,0,1]=3 685 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,0,0,0,0,0|1,0,1]=3 686 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 687 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 688 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,0,0,0,0,0|1,0,1]=3 689 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,0,0,0,0,0|1,0,1]=3 690 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 691 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 692 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,0,0,0,0,0|1,1,0]=3 693 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,0,0,0,0,0|1,1,0]=3 694 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,0,0,0,0,0|1,1,0]=3 695 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,0,0,0,0,0|1,1,0]=3 696 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,0,0,0,0,0|1,1,0]=3 697 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,0,0,0,0,0|1,1,0]=3 698 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [1,0,0,0,0,0|1,1,1]=4 699 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [1,0,0,0,0,0|1,1,1]=4 700 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [1,0,0,0,0,0|1,1,1]=4 701 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,0,0,0,0,0|0,1,0]=2 702 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,0,0,0,0,0|0,1,0]=2 703 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,0,0,0,0,0|0,1,1]=3 704 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,0,0,0,0,0|0,1,1]=3 705 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [1,0,0,0,0,0|2,1,0]=4 706 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [1,0,0,0,0,0|2,1,0]=4 707 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,0,0,0,0,0|1,1,0]=3 708 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,0,0,0,0,0|1,1,0]=3 709 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200009817064_200025704644 [1,0,0,0,0,0|1,1,1]=4 710 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200025704644_200000118097 [1,0,0,0,0,0|1,1,1]=4 711 B13R1.13 C=C(C)c1cc(ccc1Br)C(=O)C 271570a_100000694244_100010146556 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)C 271570a_100000694244_100011934287 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)N 271570a_100000694244_100000186401 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)C 271570a_100000694244_100000239719 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)N 271570a_100000694244_100011202321 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.13 C=C(C)c1cc(ccc1N)C(=O)C 271570a_100000694244_100012029215 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [0,1,0,0,0,0|2,0,0]=3 718 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)O 271570a_100000694244_100000691460 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.13 CC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.13 CC(C)c1cc(ccc1Br)C(=O)[13CH3] 1458a_100010202910_200025704644 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.49 C=Cc1cc(ccc1Br)C(=O)OC 271570a_100011290941_100012349818 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.49 C=Cc1cc(ccc1C)C(=O)OC 271570a_100011290941_100011218856 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.49 C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100011290941_100011294800 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.49 C=Cc1cc(ccc1F)C(=O)OC 271570a_100011290941_100000722584 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.49 C=Cc1cc(ccc1N)C(=O)OC 271570a_100011290941_100000187552 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,1,0,0,0,0|1,0,1]=3 732 B13R1.49 C=Cc1cc(cnc1O)C(=O)OC 271570a_100011290941_100010109663 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.49 C=Cc1nc(ccc1O)C(=O)OC 271570a_100011290941_200009815348 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210202 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210202 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.49 CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210202 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,1,0,0,0,0|2,0,0]=3 739 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,1,0,0,0,0|2,0,0]=3 740 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,1,0,0,0,0|2,0,0]=3 741 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,1,0,0,0,0|2,0,0]=3 742 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,1,0,0,0,0|2,0,0]=3 743 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,1,0,0,0,0|1,0,0]=2 744 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_100011216493_200000210301 [0,1,0,0,0,0|2,1,0]=4 745 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011216493 [0,1,0,0,0,0|2,1,0]=4 746 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011216493_200025704644 [0,1,0,0,0,0|2,1,0]=4 747 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011216493 [0,1,0,0,0,0|2,1,0]=4 748 B13R1.49 CCc1cc(ccc1Br)C(=O)CF 1458a_100010152358_100015361967 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 11a_106832991635_100010152358 [0,1,0,0,0,0|3,0,0]=4 750 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 1626a_100102657272_100010152358 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 240690a_100102657272_100010152358 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 527a_100102657272_100010152358 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.49 CCc1cc(ccc1Cl)C(=O)CF 1458a_100000102533_100015361967 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 11a_106832991635_100000102533 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_100000102533 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_100000102533 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 527a_100102657272_100000102533 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.49 CCc1cc(ccc1F)C(=O)CF 1458a_100009883079_100015361967 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.49 CCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009883079 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.49 CCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009883079 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.49 CCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009883079 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.49 CCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009883079 [0,1,0,0,0,0|3,0,0]=4 763 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [0,1,0,0,0,0|3,0,0]=4 764 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.49 CNC(=O)c1ccc(c(c1)NC)Cl 34a_100000740709_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359898 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 34a_100011295210_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])Cl 34a_100000740709_200025704644 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])F 34a_100011295210_200025704644 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,1,0,0,0,0|2,0,0]=3 775 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,1,0,0,0,0|2,0,0]=3 777 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,1,0,0,0,0|2,0,0]=3 778 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,1,0,0,0,0|2,0,0]=3 779 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,1,0,0,0,0|2,0,0]=3 780 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,1,0,0,0,0|2,0,0]=3 781 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,1,0,0,0,0|2,0,0]=3 782 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,1,0,0,0,0|2,0,0]=3 783 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,1,0,0,0,0|2,0,0]=3 786 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,1,0,0,0,0|2,0,0]=3 788 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,1,0,0,0,0|2,0,0]=3 789 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,1,0,0,0,0|2,0,0]=3 790 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,1,0,0,0,0|2,0,0]=3 791 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,1,0,0,0,0|2,0,0]=3 792 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,1,0,0,0,0|2,0,0]=3 793 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,1,0,0,0,0|2,0,0]=3 794 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,1,0,0,0,0|1,0,0]=2 795 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359898 [0,1,0,0,0,0|2,1,0]=4 796 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200012359898_200000210301 [0,1,0,0,0,0|2,1,0]=4 797 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359898_200025704644 [0,1,0,0,0,0|2,1,0]=4 798 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359898 [0,1,0,0,0,0|2,1,0]=4 799 B13R1.49 CNc1cc(cnc1F)C(=O)OC 27a_100102657272_100000117919 [0,1,0,0,0,0|3,0,0]=4 800 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_100000065005_200000210301 [0,1,0,0,0,0|2,1,0]=4 801 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_200000210301_100000065005 [0,1,0,0,0,0|2,1,0]=4 802 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_100000065005_200025704644 [0,1,0,0,0,0|2,1,0]=4 803 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_200025704644_100000065005 [0,1,0,0,0,0|2,1,0]=4 804 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,1,0,0,0,0|1,0,0]=2 805 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,1,0,0,0,0|2,0,0]=3 806 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,1,0,0,0,0|2,0,0]=3 808 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,1,0,0,0,0|1,0,0]=2 809 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,1,0,0,0,0|1,0,0]=2 810 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,1,0,0,0,0|1,0,0]=2 811 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,1,0,0,0,0|1,0,0]=2 812 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,1,0,0,0,0|1,0,0]=2 813 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,1,0,0,0,0|1,0,0]=2 814 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,1,0,0,0,0|1,0,0]=2 815 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,1,0,0,0,0|1,0,0]=2 816 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,1,0,0,0,0|1,0,0]=2 817 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,1,0,0,0,0|1,0,0]=2 818 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,1,0,0,0,0|1,0,0]=2 819 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,1,0,0,0,0|1,0,0]=2 820 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,1,0,0,0,0|0,0,0]=1 821 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,1,0,0,0,0|1,0,0]=2 822 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,1,0,0,0,0|1,0,0]=2 823 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,1,0,0,0,0|1,0,0]=2 824 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,1,0,0,0,0|1,0,0]=2 825 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,1,0,0,0,0|1,0,0]=2 826 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,1,0,0,0,0|1,0,0]=2 827 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,1,0,0,0,0|1,0,0]=2 828 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,1,0,0,0,0|1,0,0]=2 829 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,1,0,0,0,0|1,0,0]=2 830 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,1,0,0,0,0|1,0,0]=2 831 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,1,0,0,0,0|1,0,0]=2 832 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,1,0,0,0,0|1,0,0]=2 833 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,1,0,0,0,0|1,1,0]=3 834 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,1,0,0,0,0|1,1,0]=3 835 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,1,0,0,0,0|1,1,0]=3 836 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,1,0,0,0,0|1,1,0]=3 837 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,1,0,0,0,0|1,1,0]=3 838 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,1,0,0,0,0|1,1,0]=3 839 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,1,0,0,0,0|1,1,0]=3 840 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,1,0,0,0,0|1,1,0]=3 841 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,1,0,0,0,0|1,1,0]=3 842 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,1,0,0,0,0|1,1,0]=3 843 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,1,0,0,0,0|0,1,0]=2 844 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,1,0,0,0,0|0,1,0]=2 845 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,1,0,0,0,0|1,1,0]=3 846 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,1,0,0,0,0|1,1,0]=3 847 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,1,0,0,0,0|1,1,0]=3 848 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,1,0,0,0,0|1,1,0]=3 849 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,1,0,0,0,0|1,1,0]=3 850 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,1,0,0,0,0|1,1,0]=3 851 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,1,0,0,0,0|1,1,0]=3 852 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,1,0,0,0,0|1,1,0]=3 853 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,1,0,0,0,0|1,1,0]=3 854 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,1,0,0,0,0|1,1,0]=3 855 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,1,0,0,0,0|0,1,0]=2 856 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,1,0,0,0,0|0,1,0]=2 857 B13R1.49 COC(=O)c1ccc(c(n1)C#N)O 271570a_203496583355_100010187627 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,1,0,0,0,0|1,0,0]=2 859 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_100010143800_200000210301 [0,1,0,0,0,0|2,1,0]=4 860 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_200000210301_100010143800 [0,1,0,0,0,0|2,1,0]=4 861 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_100010189626_200000210301 [0,1,0,0,0,0|2,1,0]=4 862 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_200000210301_100010189626 [0,1,0,0,0,0|2,1,0]=4 863 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,1,0,0,0,0|1,1,0]=3 864 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,1,0,0,0,0|1,1,0]=3 865 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_100010143800_200025704644 [0,1,0,0,0,0|2,1,0]=4 866 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_200025704644_100010143800 [0,1,0,0,0,0|2,1,0]=4 867 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_100010189626_200025704644 [0,1,0,0,0,0|2,1,0]=4 868 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_200025704644_100010189626 [0,1,0,0,0,0|2,1,0]=4 869 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,1,0,0,0,0|1,1,0]=3 870 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,1,0,0,0,0|1,1,0]=3 871 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,1,0,0,0,0|2,0,0]=3 872 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,1,0,0,0,0|2,0,0]=3 873 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,1,0,0,0,0|2,0,0]=3 874 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,1,0,0,0,0|2,0,0]=3 875 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,1,0,0,0,0|2,0,0]=3 876 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,1,0,0,0,0|2,0,0]=3 877 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,1,0,0,0,0|1,0,0]=2 878 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,1,0,0,0,0|2,0,0]=3 879 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,1,0,0,0,0|2,0,0]=3 880 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,1,0,0,0,0|2,0,0]=3 881 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,1,0,0,0,0|2,0,0]=3 882 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,1,0,0,0,0|2,0,0]=3 883 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,1,0,0,0,0|2,0,0]=3 884 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_100010188758_200000210301 [0,1,0,0,0,0|2,1,0]=4 885 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_200000210301_100010188758 [0,1,0,0,0,0|2,1,0]=4 886 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_100000117919_200000210301 [0,1,0,0,0,0|2,1,0]=4 887 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_200000210301_100000117919 [0,1,0,0,0,0|2,1,0]=4 888 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_100009816800_200000210301 [0,1,0,0,0,0|2,1,0]=4 889 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_200000210301_100009816800 [0,1,0,0,0,0|2,1,0]=4 890 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,1,0,0,0,0|1,1,0]=3 891 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,1,0,0,0,0|1,1,0]=3 892 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_100010188758_200025704644 [0,1,0,0,0,0|2,1,0]=4 893 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010188758 [0,1,0,0,0,0|2,1,0]=4 894 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_100000117919_200025704644 [0,1,0,0,0,0|2,1,0]=4 895 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_100000117919 [0,1,0,0,0,0|2,1,0]=4 896 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_100009816800_200025704644 [0,1,0,0,0,0|2,1,0]=4 897 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_200025704644_100009816800 [0,1,0,0,0,0|2,1,0]=4 898 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,1,0,0,0,0|1,1,0]=3 899 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,1,0,0,0,0|1,1,0]=3 900 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_100009812866_200000210301 [0,1,0,0,0,0|1,1,1]=4 901 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_200000210301_100009812866 [0,1,0,0,0,0|1,1,1]=4 902 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_100009812866_200025704644 [0,1,0,0,0,0|1,1,1]=4 903 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_200025704644_100009812866 [0,1,0,0,0,0|1,1,1]=4 904 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,1,0,0,0,0|2,0,0]=3 905 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,1,0,0,0,0|2,0,0]=3 906 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,1,0,0,0,0|2,0,0]=3 907 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,1,0,0,0,0|2,0,0]=3 908 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,1,0,0,0,0|2,0,0]=3 909 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,1,0,0,0,0|2,0,0]=3 910 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,1,0,0,0,0|1,0,0]=2 911 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_100000188075_200000210301 [0,1,0,0,0,0|2,1,0]=4 912 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_200000210301_100000188075 [0,1,0,0,0,0|2,1,0]=4 913 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200000210301 [0,1,0,0,0,0|2,1,0]=4 914 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_200000210301_100000046573 [0,1,0,0,0,0|2,1,0]=4 915 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_100000188075_200025704644 [0,1,0,0,0,0|2,1,0]=4 916 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000188075 [0,1,0,0,0,0|2,1,0]=4 917 B13R1.49 N#Cc1cc(ccc1O)C(=O)CF 1458a_100009875055_100015361967 [0,1,0,0,0,0|3,0,0]=4 918 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,1,0,0,0,0|2,0,0]=3 919 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200025704644 [0,1,0,0,0,0|2,1,0]=4 920 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_200025704644_100000046573 [0,1,0,0,0,0|2,1,0]=4 921 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 34a_100000186253_200000210301 [0,1,0,0,0,0|2,0,1]=4 922 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 7a_100000186253_200000210301 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.50 COc1cc(ccc1O)C(F)(F)F 271570a_203496583355_100010150383 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 34a_100000186253_200025704644 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 7a_100000186253_200025704644 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.298 C=C(C)c1cc(c(c(c1)CC)O)C 271570a_100000694244_100010659108 [0,1,0,0,0,0|3,0,0]=4 927 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [0,1,0,0,0,0|3,0,0]=4 928 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)F 271570a_100000694244_100011218012 [0,1,0,0,0,0|3,0,0]=4 929 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [0,1,0,0,0,0|3,0,0]=4 930 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [0,1,0,0,0,0|3,0,0]=4 931 B13R1.298 CNc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_200000210301 [0,1,0,0,0,0|2,0,1]=4 932 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [0,1,0,0,0,0|2,0,0]=3 934 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200000210301 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200000210301 [0,1,0,0,0,0|2,0,1]=4 936 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [0,1,0,0,0,0|2,0,0]=3 937 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [0,1,0,0,0,0|2,0,0]=3 938 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200000210301 [0,1,0,0,0,0|2,0,1]=4 939 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200000210301 [0,1,0,0,0,0|2,0,1]=4 940 B13R1.298 COc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200000210301 [0,1,0,0,0,0|2,0,1]=4 941 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,1,0,0,0,0|1,0,0]=2 942 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,1,0,0,0,0|1,0,0]=2 943 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,1,0,0,0,0|1,0,0]=2 944 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,1,0,0,0,0|1,0,0]=2 945 B13R1.298 [13CH3]Nc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_200025704644 [0,1,0,0,0,0|2,0,1]=4 946 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200025704644 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200025704644 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200025704644 [0,1,0,0,0,0|2,0,1]=4 949 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200025704644 [0,1,0,0,0,0|2,0,1]=4 950 B13R1.298 [13CH3]Oc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200025704644 [0,1,0,0,0,0|2,0,1]=4 951 B13R1.354 C=C(C)c1ccc(c(c1)CNC)O 271570a_100000694244_100011602694 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.354 C=C(C)c1ccc(c(c1)COC)Br 271570a_100000694244_202125822959 [0,1,0,0,0,0|3,0,0]=4 953 B13R1.354 C=C(C)c1ccc(c(c1)COC)F 271570a_100000694244_100010140362 [0,1,0,0,0,0|3,0,0]=4 954 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [0,1,0,0,0,0|3,0,0]=4 955 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [0,1,0,0,0,0|3,0,0]=4 956 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,1,0,0,0,0|1,1,0]=3 959 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,1,0,0,0,0|2,0,0]=3 960 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,1,0,0,0,0|2,0,0]=3 961 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,1,0,0,0,0|2,0,0]=3 962 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,1,0,0,0,0|2,0,0]=3 963 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100010146556_100015361967 [0,1,0,0,0,0|2,1,0]=4 964 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100010146556 [0,1,0,0,0,0|2,1,0]=4 965 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100011934287_100015361967 [0,1,0,0,0,0|2,1,0]=4 966 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100011934287 [0,1,0,0,0,0|2,1,0]=4 967 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100000239719_100015361967 [0,1,0,0,0,0|2,1,0]=4 968 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000239719 [0,1,0,0,0,0|2,1,0]=4 969 B13R1.354 CC(=O)c1ccc(c(c1)SCF)N 62a_100012029215_100015361967 [0,1,0,0,0,0|2,1,0]=4 970 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,1,0,0,0,0|1,1,0]=3 971 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [0,1,0,0,0,0|3,0,0]=4 972 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [0,1,0,0,0,0|3,0,0]=4 973 B13R1.354 CC=Cc1cc(ccc1C)C(=O)N 271570a_100016259895_100000186401 [0,1,0,0,0,0|3,0,0]=4 974 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [0,1,0,0,0,0|3,0,0]=4 975 B13R1.354 CC=Cc1cc(ccc1F)C(=O)N 271570a_100016259895_100011202321 [0,1,0,0,0,0|3,0,0]=4 976 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [0,1,0,0,0,0|3,0,0]=4 977 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,1,0,0,0,0|2,0,0]=3 978 B13R1.354 CCCc1cc(ccc1F)C(=O)C 1458a_100009923992_200000210301 [0,1,0,0,0,0|3,0,0]=4 979 B13R1.354 CCCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009923992_200025704644 [0,1,0,0,0,0|3,0,0]=4 980 B13R1.354 CCNc1cc(ccc1C)C(=O)N 34a_100000188646_100000210202 [0,1,0,0,0,0|3,0,0]=4 981 B13R1.354 CCNc1cc(ccc1C)C(=O)N 7a_100000188646_100000210202 [0,1,0,0,0,0|3,0,0]=4 982 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210202 [0,1,0,0,0,0|3,0,0]=4 983 B13R1.354 CCNc1cc(ccc1F)C(=O)N 34a_100000740466_100000210202 [0,1,0,0,0,0|3,0,0]=4 984 B13R1.354 CCNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_100000210202 [0,1,0,0,0,0|2,0,1]=4 985 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,1,0,0,0,0|2,0,0]=3 986 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,1,0,0,0,0|2,0,0]=3 987 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210202 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210202 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,1,0,0,0,0|2,0,0]=3 990 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,1,0,0,0,0|2,0,0]=3 991 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,1,0,0,0,0|2,0,0]=3 992 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,1,0,0,0,0|2,0,0]=3 993 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100000210202 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_100000210202 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,1,0,0,0,0|2,0,0]=3 996 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,1,0,0,0,0|2,0,0]=3 997 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210202 [0,1,0,0,0,0|2,0,1]=4 998 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210202 [0,1,0,0,0,0|2,0,1]=4 999 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,1,0,0,0,0|2,0,0]=3 1000 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,1,0,0,0,0|2,0,0]=3 1001 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210202 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210202 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210202 [0,1,0,0,0,0|2,0,1]=4 1004 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210202 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,1,0,0,0,0|2,0,0]=3 1006 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,1,0,0,0,0|2,0,0]=3 1007 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210202 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210202 [0,1,0,0,0,0|2,0,1]=4 1009 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,1,0,0,0,0|1,0,0]=2 1010 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,1,0,0,0,0|1,0,0]=2 1011 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100000210202_100010146556 [0,1,0,0,0,0|2,1,0]=4 1012 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210202 [0,1,0,0,0,0|2,1,0]=4 1013 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100000210202_100011934287 [0,1,0,0,0,0|2,1,0]=4 1014 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210202 [0,1,0,0,0,0|2,1,0]=4 1015 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000210202 [0,1,0,0,0,0|2,1,0]=4 1016 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000210202_100000186401 [0,1,0,0,0,0|2,1,0]=4 1017 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000210202_100000239719 [0,1,0,0,0,0|2,1,0]=4 1018 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210202 [0,1,0,0,0,0|2,1,0]=4 1019 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100000210202_100011202321 [0,1,0,0,0,0|2,1,0]=4 1020 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000210202 [0,1,0,0,0,0|2,1,0]=4 1021 B13R1.354 CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210202 [0,1,0,0,0,0|2,1,0]=4 1022 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,1,0,0,0,0|1,1,0]=3 1023 B13R1.354 CNCc1cc(ccc1Br)C(=O)N 26a_100102657272_100012344895 [0,1,0,0,0,0|3,0,0]=4 1024 B13R1.354 CNCc1cc(ccc1F)C(=O)C 26a_100102657272_100000117923 [0,1,0,0,0,0|3,0,0]=4 1025 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,1,0,0,0,0|2,0,0]=3 1026 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 2230a_106832991635_200009813932 [0,1,0,0,0,0|2,0,1]=4 1027 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 34a_100102657272_200009813932 [0,1,0,0,0,0|2,0,1]=4 1028 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 7a_106832991635_200009813932 [0,1,0,0,0,0|2,0,1]=4 1029 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 34a_100138415774_100010254470 [0,1,0,0,0,0|2,0,1]=4 1030 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200000210301 [0,1,0,0,0,0|2,0,1]=4 1031 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100000075575_200000210301 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100138415774_100010238791 [0,1,0,0,0,0|2,0,1]=4 1033 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 7a_100000075575_200000210301 [0,1,0,0,0,0|2,0,1]=4 1034 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200000210301 [0,1,0,0,0,0|2,0,1]=4 1035 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100138415774_100011273546 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200000210301 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.354 COCc1cc(ccc1F)B(O)O 34a_100138415774_100011092044 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200000210301 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100138415774_100012145679 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200000210301 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,1,0,0,0,0|1,0,0]=2 1042 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,1,0,0,0,0|1,0,1]=3 1043 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,1,0,0,0,0|1,1,0]=3 1044 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 34a_100000075575_200025704644 [0,1,0,0,0,0|2,0,1]=4 1045 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 7a_100000075575_200025704644 [0,1,0,0,0,0|2,0,1]=4 1046 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 34a_100000188646_100015361967 [0,1,0,0,0,0|3,0,0]=4 1047 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 7a_100000188646_100015361967 [0,1,0,0,0,0|3,0,0]=4 1048 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000740739_100015361967 [0,1,0,0,0,0|2,0,1]=4 1049 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000740739_100015361967 [0,1,0,0,0,0|2,0,1]=4 1050 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100000186401_100015361967 [0,1,0,0,0,0|2,1,0]=4 1051 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100015361967_100000186401 [0,1,0,0,0,0|2,1,0]=4 1052 B13R1.354 NC(=O)c1ccc(c(c1)NCF)Cl 34a_100000736751_100015361967 [0,1,0,0,0,0|3,0,0]=4 1053 B13R1.354 NC(=O)c1ccc(c(c1)NCF)F 34a_100000740466_100015361967 [0,1,0,0,0,0|3,0,0]=4 1054 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,1,0,0,0,0|2,0,0]=3 1055 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,1,0,0,0,0|2,0,0]=3 1056 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,1,0,0,0,0|2,0,0]=3 1057 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,1,0,0,0,0|2,0,0]=3 1058 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100011202321_100015361967 [0,1,0,0,0,0|2,1,0]=4 1059 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011202321 [0,1,0,0,0,0|2,1,0]=4 1060 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000210499_100015361967 [0,1,0,0,0,0|2,0,1]=4 1061 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000210499_100015361967 [0,1,0,0,0,0|2,0,1]=4 1062 B13R1.354 O=[N+]([O-])c1ccc(c(c1)NCF)O 7a_100000181223_100015361967 [0,1,0,0,0,0|2,0,1]=4 1063 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 34a_100000691124_100015361967 [0,1,0,0,0,0|2,0,1]=4 1064 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 7a_100000691124_100015361967 [0,1,0,0,0,0|2,0,1]=4 1065 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 34a_100000188705_100015361967 [0,1,0,0,0,0|2,0,1]=4 1066 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 7a_100000188705_100015361967 [0,1,0,0,0,0|2,0,1]=4 1067 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 34a_100011294461_100015361967 [0,1,0,0,0,0|2,0,1]=4 1068 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 7a_100011294461_100015361967 [0,1,0,0,0,0|2,0,1]=4 1069 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 34a_100000072739_100015361967 [0,1,0,0,0,0|2,0,1]=4 1070 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 7a_100000072739_100015361967 [0,1,0,0,0,0|2,0,1]=4 1071 B13R1.354 [13CH3]OCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200025704644 [0,1,0,0,0,0|2,0,1]=4 1072 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200025704644 [0,1,0,0,0,0|2,0,1]=4 1073 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200025704644 [0,1,0,0,0,0|2,0,1]=4 1074 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200025704644 [0,1,0,0,0,0|2,0,1]=4 1075 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200025704644 [0,1,0,0,0,0|2,0,1]=4 1076 B13R1.651 C=C(C)c1cc(c(cc1Br)Br)OC 271570a_100000694244_200014006352 [0,1,0,0,0,0|3,0,0]=4 1077 B13R1.651 C=C(C)c1cc(c(cc1C)F)OC 271570a_100000694244_100011009880 [0,1,0,0,0,0|3,0,0]=4 1078 B13R1.651 C=C(C)c1cc(c(cc1C)N)OC 271570a_100000694244_100010141321 [0,1,0,0,0,0|3,0,0]=4 1079 B13R1.651 C=C(C)c1cc(c(cc1F)Cl)OC 271570a_100000694244_100010739614 [0,1,0,0,0,0|3,0,0]=4 1080 B13R1.651 C=C(C)c1cc(c(cc1F)F)OC 271570a_100000694244_200015541288 [0,1,0,0,0,0|3,0,0]=4 1081 B13R1.651 C=C(C)c1cc(c(cc1F)N)OC 271570a_100000694244_100012766639 [0,1,0,0,0,0|3,0,0]=4 1082 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,1,0,0,0,0|2,0,0]=3 1083 B13R1.651 C=C(C)c1cc(c(cc1N)C)OC 271570a_100000694244_200010584344 [0,1,0,0,0,0|3,0,0]=4 1084 B13R1.651 C=C(C)c1cc(c(cc1N)F)OC 271570a_100000694244_100010365326 [0,1,0,0,0,0|3,0,0]=4 1085 B13R1.651 CC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100009817148_200025704644 [0,1,0,0,0,0|2,1,0]=4 1086 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,1,0,0,0,0|2,1,0]=4 1087 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,1,0,0,0,0|2,1,0]=4 1088 B13R1.651 CNc1cc(c(cc1F)F)C(=O)N 27a_100102657272_100015235948 [0,1,0,0,0,0|3,0,0]=4 1089 B13R1.651 CNc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200000210301 [0,1,0,0,0,0|2,0,1]=4 1090 B13R1.651 COc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100013414156_200000210301 [0,1,0,0,0,0|2,0,1]=4 1091 B13R1.651 COc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200000210301 [0,1,0,0,0,0|2,0,1]=4 1092 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200000210301 [0,1,0,0,0,0|2,0,1]=4 1093 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200000210301 [0,1,0,0,0,0|2,0,1]=4 1094 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [0,1,0,0,0,0|2,0,0]=3 1095 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [0,1,0,0,0,0|2,0,0]=3 1096 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 34a_100000086363_200000210301 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100000086363_200000210301 [0,1,0,0,0,0|2,0,1]=4 1098 B13R1.651 COc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200000210301 [0,1,0,0,0,0|2,0,1]=4 1099 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200000210301 [0,1,0,0,0,0|2,0,1]=4 1100 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200000210301 [0,1,0,0,0,0|2,0,1]=4 1101 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [0,1,0,0,0,0|2,0,0]=3 1102 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [0,1,0,0,0,0|2,0,0]=3 1103 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200000210301 [0,1,0,0,0,0|2,0,1]=4 1104 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200000210301 [0,1,0,0,0,0|2,0,1]=4 1105 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100010732485_200000210301 [0,1,0,0,0,0|2,0,1]=4 1106 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100010732485_200000210301 [0,1,0,0,0,0|2,0,1]=4 1107 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200000210301 [0,1,0,0,0,0|2,0,1]=4 1108 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200000210301 [0,1,0,0,0,0|2,0,1]=4 1109 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200000210301 [0,1,0,0,0,0|2,0,1]=4 1110 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,1,0,0,0,0|2,1,0]=4 1111 B13R1.651 CSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_200000210301 [0,1,0,0,0,0|2,1,0]=4 1112 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200000210301 [0,1,0,0,0,0|2,1,0]=4 1113 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_200000210301_100015235948 [0,1,0,0,0,0|2,1,0]=4 1114 B13R1.651 CSc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200000210301 [0,1,0,0,0,0|2,1,0]=4 1115 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,1,0,0,0,0|2,1,0]=4 1116 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 34a_100000086363_200025704644 [0,1,0,0,0,0|2,0,1]=4 1117 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 7a_100000086363_200025704644 [0,1,0,0,0,0|2,0,1]=4 1118 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])Br 7a_100013414156_200025704644 [0,1,0,0,0,0|2,0,1]=4 1119 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 34a_100010732485_200025704644 [0,1,0,0,0,0|2,0,1]=4 1120 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 7a_100010732485_200025704644 [0,1,0,0,0,0|2,0,1]=4 1121 B13R1.651 [13CH3]Nc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200025704644 [0,1,0,0,0,0|2,0,1]=4 1122 B13R1.651 [13CH3]Oc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200025704644 [0,1,0,0,0,0|2,0,1]=4 1123 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200025704644 [0,1,0,0,0,0|2,0,1]=4 1124 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200025704644 [0,1,0,0,0,0|2,0,1]=4 1125 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200025704644 [0,1,0,0,0,0|2,0,1]=4 1126 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200025704644 [0,1,0,0,0,0|2,0,1]=4 1127 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200025704644 [0,1,0,0,0,0|2,0,1]=4 1128 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200025704644 [0,1,0,0,0,0|2,0,1]=4 1129 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200025704644 [0,1,0,0,0,0|2,0,1]=4 1130 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200025704644 [0,1,0,0,0,0|2,0,1]=4 1131 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200025704644 [0,1,0,0,0,0|2,0,1]=4 1132 B13R1.651 [13CH3]Oc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200025704644 [0,1,0,0,0,0|2,0,1]=4 1133 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200025704644 [0,1,0,0,0,0|2,1,0]=4 1134 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_200025704644_100015235948 [0,1,0,0,0,0|2,1,0]=4 1135 B13R1.651 [13CH3]Sc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200025704644 [0,1,0,0,0,0|2,1,0]=4 1136 B13R1.3091 C=C(C)c1cc(c(cn1)CO)OC 271570a_100000694244_100010714672 [0,1,0,0,0,0|3,0,0]=4 1137 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,1,0,0,0,0|3,0,0]=4 1138 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,1,0,0,0,0|2,0,1]=4 1140 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,1,0,0,0,0|3,0,0]=4 1141 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,1,0,0,0,0|2,0,0]=3 1142 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,1,0,0,0,0|2,0,0]=3 1143 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,1,0,0,0,0|2,1,0]=4 1144 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,1,0,0,0,0|2,1,0]=4 1145 B13R1.3091 C=C(C)c1ccc(c(n1)OC)CO 271570a_100000694244_100010988397 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [0,1,0,0,0,0|3,0,0]=4 1147 B13R1.3091 C=C(C)c1cnc(c(c1)OC)CO 271570a_100000694244_200010246159 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [0,1,0,0,0,0|3,0,0]=4 1149 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,1,0,0,0,0|2,0,1]=4 1150 B13R1.3091 C=Cc1ccc(cc1OC)B(O)O 271570a_100011290941_100012355544 [0,1,0,0,0,0|2,0,1]=4 1151 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,1,0,0,0,0|2,0,0]=3 1152 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,1,0,0,0,0|2,0,0]=3 1153 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,1,0,0,0,0|3,0,0]=4 1154 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,1,0,0,0,0|3,0,0]=4 1155 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,1,0,0,0,0|3,0,0]=4 1156 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,1,0,0,0,0|2,0,0]=3 1157 B13R1.3091 CNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_200000210301 [0,1,0,0,0,0|2,0,1]=4 1158 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,1,0,0,0,0|2,0,0]=3 1159 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,1,0,0,0,0|2,0,0]=3 1160 B13R1.3091 CNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_200000210301 [0,1,0,0,0,0|2,0,1]=4 1161 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,1,0,0,0,0|2,0,0]=3 1162 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,1,0,0,0,0|2,0,0]=3 1163 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200000210301 [0,1,0,0,0,0|2,0,1]=4 1164 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200000210301 [0,1,0,0,0,0|2,0,1]=4 1165 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,1,0,0,0,0|1,0,1]=3 1166 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,1,0,0,0,0|1,0,1]=3 1167 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,1,0,0,0,0|2,0,0]=3 1168 B13R1.3091 COc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000211086_200025704644 [0,1,0,0,0,0|2,0,1]=4 1169 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,1,0,0,0,0|1,0,0]=2 1170 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,1,0,0,0,0|1,0,0]=2 1171 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,1,0,0,0,0|1,0,1]=3 1172 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,1,0,0,0,0|1,0,1]=3 1173 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,1,0,0,0,0|1,0,1]=3 1174 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,1,0,0,0,0|1,0,1]=3 1175 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_100012355544_200000210301 [0,1,0,0,0,0|1,1,1]=4 1176 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_200000210301_100012355544 [0,1,0,0,0,0|1,1,1]=4 1177 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,1,0,0,0,0|1,1,0]=3 1178 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,1,0,0,0,0|1,1,0]=3 1179 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_100012355544_200025704644 [0,1,0,0,0,0|1,1,1]=4 1180 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_200025704644_100012355544 [0,1,0,0,0,0|1,1,1]=4 1181 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,1,0,0,0,0|1,1,0]=3 1182 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,1,0,0,0,0|1,1,0]=3 1183 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,1,0,0,0,0|3,0,0]=4 1184 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,1,0,0,0,0|3,0,0]=4 1185 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,1,0,0,0,0|3,0,0]=4 1186 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,1,0,0,0,0|3,0,0]=4 1187 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,1,0,0,0,0|3,0,0]=4 1188 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,1,0,0,0,0|2,0,0]=3 1189 B13R1.3091 COc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000738153_200025704644 [0,1,0,0,0,0|2,0,1]=4 1190 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,1,0,0,0,0|1,0,0]=2 1191 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,1,0,0,0,0|1,0,0]=2 1192 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,1,0,0,0,0|1,0,0]=2 1193 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,1,0,0,0,0|1,0,0]=2 1194 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,1,0,0,0,0|1,0,0]=2 1195 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,1,0,0,0,0|1,0,0]=2 1196 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,1,0,0,0,0|1,0,1]=3 1197 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,1,0,0,0,0|1,0,1]=3 1198 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,1,0,0,0,0|1,0,1]=3 1199 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,1,0,0,0,0|1,0,1]=3 1200 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,1,0,0,0,0|1,0,1]=3 1201 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,1,0,0,0,0|1,0,1]=3 1202 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,1,0,0,0,0|1,0,0]=2 1203 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,1,0,0,0,0|1,0,0]=2 1204 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,1,0,0,0,0|1,0,1]=3 1205 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,1,0,0,0,0|1,0,1]=3 1206 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,1,0,0,0,0|1,1,0]=3 1207 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,1,0,0,0,0|1,1,0]=3 1208 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_100000246541_200000210301 [0,1,0,0,0,0|1,1,1]=4 1209 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_200000210301_100000246541 [0,1,0,0,0,0|1,1,1]=4 1210 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,1,0,0,0,0|1,1,0]=3 1211 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,1,0,0,0,0|1,1,0]=3 1212 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_100000246541_200025704644 [0,1,0,0,0,0|1,1,1]=4 1213 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_200025704644_100000246541 [0,1,0,0,0,0|1,1,1]=4 1214 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200025704644 [0,1,0,0,0,0|2,0,1]=4 1215 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200025704644 [0,1,0,0,0,0|2,0,1]=4 1216 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,1,0,0,0,0|1,0,1]=3 1217 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,1,0,0,0,0|1,0,1]=3 1218 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)Cl 271570a_100000694244_200135222481 [0,1,0,0,0,0|3,0,0]=4 1219 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)N 271570a_100000694244_100010734149 [0,1,0,0,0,0|3,0,0]=4 1220 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100010179980_200025704644 [0,1,0,0,0,0|2,1,0]=4 1221 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100010179980 [0,1,0,0,0,0|2,1,0]=4 1222 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 34a_100000737156_200000210301 [0,1,0,0,0,0|2,0,1]=4 1223 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 7a_100000737156_200000210301 [0,1,0,0,0,0|2,0,1]=4 1224 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 34a_100000117122_200000210301 [0,1,0,0,0,0|2,0,1]=4 1225 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 7a_100000117122_200000210301 [0,1,0,0,0,0|2,0,1]=4 1226 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [0,1,0,0,0,0|1,0,1]=3 1227 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,1,0,0,0,0|2,0,0]=3 1228 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,1,0,0,0,0|2,0,0]=3 1229 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,1,0,0,0,0|2,0,0]=3 1230 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,1,0,0,0,0|2,0,0]=3 1231 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,1,0,0,0,0|2,0,0]=3 1232 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,1,0,0,0,0|2,0,0]=3 1233 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200000210301 [0,1,0,0,0,0|2,0,1]=4 1234 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200000210301 [0,1,0,0,0,0|2,0,1]=4 1235 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)Cl 1458a_200134766191_200000210301 [0,1,0,0,0,0|2,1,0]=4 1236 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_100010179980_200000210301 [0,1,0,0,0,0|2,1,0]=4 1237 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_200000210301_100010179980 [0,1,0,0,0,0|2,1,0]=4 1238 B13R1.3230 CSc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_200134766191_200025704644 [0,1,0,0,0,0|2,1,0]=4 1239 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 34a_100000737156_200025704644 [0,1,0,0,0,0|2,0,1]=4 1240 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 7a_100000737156_200025704644 [0,1,0,0,0,0|2,0,1]=4 1241 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 34a_100000117122_200025704644 [0,1,0,0,0,0|2,0,1]=4 1242 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 7a_100000117122_200025704644 [0,1,0,0,0,0|2,0,1]=4 1243 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200025704644 [0,1,0,0,0,0|2,0,1]=4 1244 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200025704644 [0,1,0,0,0,0|2,0,1]=4 1245 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,0,0,1,0,0|3,0,0]=4 1246 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,0,0,1,0,0|3,0,0]=4 1247 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,0,0,1,0,0|2,0,0]=3 1248 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,0,0,1,0,0|3,0,0]=4 1249 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,0,0,1,0,0|2,0,0]=3 1250 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,0,0,1,0,0|1,0,0]=2 1251 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,0,0,1,0,0|2,0,1]=4 1252 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,0,0,1,0,0|2,0,1]=4 1253 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,0,0,1,0,0|2,0,1]=4 1254 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,0,0,1,0,0|2,0,1]=4 1255 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,0,0,1,0,0|3,0,0]=4 1256 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,0,0,1,0,0|2,0,0]=3 1257 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,0,0,1,0,0|1,0,0]=2 1258 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,0,0,1,0,0|2,0,1]=4 1259 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,0,0,1,0,0|2,0,1]=4 1260 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,0,0,1,0,0|2,0,1]=4 1261 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,0,0,1,0,0|2,0,1]=4 1262 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,0,0,1,0,0|2,0,1]=4 1263 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,0,0,0,0,1|2,0,1]=4 1264 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,0,0,0,0,1|1,1,0]=3 1265 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,0,0,0,0,1|1,1,0]=3 1266 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,0,0,0,0,1|3,0,0]=4 1267 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,0,0,0,0,1|3,0,0]=4 1268 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000739390_200025704644 [0,0,0,0,0,1|3,0,0]=4 1269 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000739390_200025704644 [0,0,0,0,0,1|3,0,0]=4 1270 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100000742996_200025704644 [0,0,0,0,0,1|3,0,0]=4 1271 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_106454645589_200025704644 [0,0,0,0,0,1|3,0,0]=4 1272 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,0,0,0,0,1|2,0,0]=3 1273 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,0,0,0,0,1|2,0,0]=3 1274 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011221169 [0,0,0,0,0,1|2,1,0]=4 1275 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])F 62a_200025704644_100012348134 [0,0,0,0,0,1|2,1,0]=4 1276 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,0,0,0,0,1|3,0,0]=4 1277 B13R1.52 CC(=O)Oc1ccc(c(c1)S[13CH3])C 62a_200025704644_200025702335 [0,0,0,0,0,1|2,1,0]=4 1278 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 11a_100010109747_100015343762 [0,0,0,0,0,1|3,0,0]=4 1279 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 1626a_100010109747_100015343762 [0,0,0,0,0,1|3,0,0]=4 1280 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 22a_100010109747_100000070787 [0,0,0,0,0,1|3,0,0]=4 1281 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 527a_100010109747_100103153847 [0,0,0,0,0,1|3,0,0]=4 1282 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,0,0,0,0,1|3,0,0]=4 1283 B13R1.52 CNc1cc(ccc1C)NC(=O)C 34a_100000739390_200000210301 [0,0,0,0,0,1|3,0,0]=4 1284 B13R1.52 CNc1cc(ccc1C)NC(=O)C 7a_100000739390_200000210301 [0,0,0,0,0,1|3,0,0]=4 1285 B13R1.52 CNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_200000210301 [0,0,0,0,0,1|3,0,0]=4 1286 B13R1.52 CNc1cc(ccc1F)NC(=O)C 34a_106454645589_200000210301 [0,0,0,0,0,1|3,0,0]=4 1287 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,0,0,0,0,1|3,0,0]=4 1288 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,0,0,0,0,1|2,0,0]=3 1289 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,0,0,0,0,1|2,0,0]=3 1290 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,0,0,0,0,1|2,0,0]=3 1291 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,0,0,0,0,1|2,0,0]=3 1292 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,0,0,0,0,1|2,0,0]=3 1293 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,0,0,0,0,1|2,0,0]=3 1294 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,0,0,0,0,1|2,0,0]=3 1295 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,0,0,0,0,1|3,0,0]=4 1296 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,0,0,0,0,1|2,0,0]=3 1297 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,0,0,0,0,1|2,0,0]=3 1298 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,0,0,0,0,1|2,0,0]=3 1299 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,0,0,0,0,1|2,0,0]=3 1300 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,0,0,0,0,1|3,0,0]=4 1301 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,0,0,0,0,1|2,0,0]=3 1302 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,0,0,0,0,1|2,0,0]=3 1303 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,0,0,0,0,1|2,0,0]=3 1304 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,0,0,0,0,1|2,0,0]=3 1305 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,0,0,0,0,1|2,0,0]=3 1306 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,0,0,0,0,1|2,0,0]=3 1307 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,0,0,0,0,1|2,0,0]=3 1308 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,0,0,0,0,1|3,0,0]=4 1309 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,0,0,0,0,1|2,0,0]=3 1310 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,0,0,0,0,1|2,0,0]=3 1311 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,0,0,0,0,1|2,0,0]=3 1312 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,0,0,0,0,1|2,0,0]=3 1313 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,0,0,0,0,1|2,0,0]=3 1314 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,0,0,0,0,1|2,0,0]=3 1315 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,0,0,0,0,1|2,0,0]=3 1316 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,0,0,0,0,1|2,0,0]=3 1317 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,0,0,0,0,1|2,0,0]=3 1318 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,0,0,0,0,1|2,0,0]=3 1319 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,0,0,0,0,1|2,0,0]=3 1320 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,0,0,0,0,1|3,0,0]=4 1321 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,0,0,0,0,1|2,0,0]=3 1322 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,0,0,0,0,1|1,0,0]=2 1323 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,0,0,0,0,1|1,0,0]=2 1324 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,0,0,0,0,1|1,0,0]=2 1325 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,0,0,0,0,1|1,0,0]=2 1326 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [0,0,0,0,0,1|2,0,1]=4 1327 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [0,0,0,0,0,1|2,0,1]=4 1328 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,0,0,0,0,1|3,0,0]=4 1329 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [0,0,0,0,0,1|3,0,0]=4 1330 B13R1.52 CSc1cc(ccc1C)NC(=O)C 62a_200000210301_100011221169 [0,0,0,0,0,1|2,1,0]=4 1331 B13R1.52 CSc1cc(ccc1C)OC(=O)C 62a_200000210301_200025702335 [0,0,0,0,0,1|2,1,0]=4 1332 B13R1.52 CSc1cc(ccc1F)NC(=O)C 62a_200000210301_100012348134 [0,0,0,0,0,1|2,1,0]=4 1333 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,0,0,0,0,1|1,1,0]=3 1334 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,0,0,0,0,1|1,1,0]=3 1335 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [2,0,0,0,0,0|2,0,0]=4 1336 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [2,0,0,0,0,0|2,0,0]=4 1337 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [2,0,0,0,0,0|2,0,0]=4 1338 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [2,0,0,0,0,0|2,0,0]=4 1339 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [2,0,0,0,0,0|2,0,0]=4 1340 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [2,0,0,0,0,0|2,0,0]=4 1341 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1342 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [2,0,0,0,0,0|1,0,0]=3 1343 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [2,0,0,0,0,0|1,0,0]=3 1344 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [2,0,0,0,0,0|2,0,0]=4 1345 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [2,0,0,0,0,0|2,0,0]=4 1346 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [2,0,0,0,0,0|1,0,1]=4 1347 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [2,0,0,0,0,0|2,0,0]=4 1348 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [2,0,0,0,0,0|2,0,0]=4 1349 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [2,0,0,0,0,0|1,0,0]=3 1350 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [2,0,0,0,0,0|2,0,0]=4 1351 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [2,0,0,0,0,0|2,0,0]=4 1352 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [2,0,0,0,0,0|1,0,1]=4 1353 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [2,0,0,0,0,0|2,0,0]=4 1354 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [2,0,0,0,0,0|2,0,0]=4 1355 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [2,0,0,0,0,0|2,0,0]=4 1356 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1357 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [2,0,0,0,0,0|1,0,0]=3 1358 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [2,0,0,0,0,0|2,0,0]=4 1359 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [2,0,0,0,0,0|2,0,0]=4 1360 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [2,0,0,0,0,0|2,0,0]=4 1361 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [2,0,0,0,0,0|2,0,0]=4 1362 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [2,0,0,0,0,0|2,0,0]=4 1363 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [2,0,0,0,0,0|1,0,0]=3 1364 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [2,0,0,0,0,0|2,0,0]=4 1365 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [2,0,0,0,0,0|2,0,0]=4 1366 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [2,0,0,0,0,0|2,0,0]=4 1367 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [2,0,0,0,0,0|1,0,0]=3 1368 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [2,0,0,0,0,0|1,0,0]=3 1369 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [2,0,0,0,0,0|2,0,0]=4 1370 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [2,0,0,0,0,0|2,0,0]=4 1371 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [2,0,0,0,0,0|2,0,0]=4 1372 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [2,0,0,0,0,0|1,0,1]=4 1373 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [2,0,0,0,0,0|2,0,0]=4 1374 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [2,0,0,0,0,0|1,0,0]=3 1375 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [2,0,0,0,0,0|2,0,0]=4 1376 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [2,0,0,0,0,0|1,0,0]=3 1377 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [2,0,0,0,0,0|2,0,0]=4 1378 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [2,0,0,0,0,0|2,0,0]=4 1379 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [2,0,0,0,0,0|2,0,0]=4 1380 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [2,0,0,0,0,0|1,0,1]=4 1381 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [2,0,0,0,0,0|2,0,0]=4 1382 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [2,0,0,0,0,0|2,0,0]=4 1383 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [2,0,0,0,0,0|2,0,0]=4 1384 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [2,0,0,0,0,0|2,0,0]=4 1385 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [2,0,0,0,0,0|1,0,0]=3 1386 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [2,0,0,0,0,0|2,0,0]=4 1387 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [2,0,0,0,0,0|2,0,0]=4 1388 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [2,0,0,0,0,0|2,0,0]=4 1389 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [2,0,0,0,0,0|2,0,0]=4 1390 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [2,0,0,0,0,0|2,0,0]=4 1391 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [2,0,0,0,0,0|2,0,0]=4 1392 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [2,0,0,0,0,0|2,0,0]=4 1393 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [2,0,0,0,0,0|1,0,0]=3 1394 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [2,0,0,0,0,0|2,0,0]=4 1395 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [2,0,0,0,0,0|2,0,0]=4 1396 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [2,0,0,0,0,0|2,0,0]=4 1397 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [2,0,0,0,0,0|2,0,0]=4 1398 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [2,0,0,0,0,0|2,0,0]=4 1399 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [2,0,0,0,0,0|2,0,0]=4 1400 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [2,0,0,0,0,0|2,0,0]=4 1401 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [2,0,0,0,0,0|2,0,0]=4 1402 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [2,0,0,0,0,0|1,0,0]=3 1403 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [2,0,0,0,0,0|2,0,0]=4 1404 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [2,0,0,0,0,0|2,0,0]=4 1405 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [2,0,0,0,0,0|1,0,1]=4 1406 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [2,0,0,0,0,0|2,0,0]=4 1407 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [2,0,0,0,0,0|2,0,0]=4 1408 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [2,0,0,0,0,0|2,0,0]=4 1409 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [2,0,0,0,0,0|2,0,0]=4 1410 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [2,0,0,0,0,0|2,0,0]=4 1411 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [2,0,0,0,0,0|2,0,0]=4 1412 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [2,0,0,0,0,0|2,0,0]=4 1413 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [2,0,0,0,0,0|2,0,0]=4 1414 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [2,0,0,0,0,0|2,0,0]=4 1415 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [2,0,0,0,0,0|1,0,1]=4 1416 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [2,0,0,0,0,0|0,0,0]=2 1417 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [2,0,0,0,0,0|1,0,1]=4 1418 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [2,0,0,0,0,0|0,0,1]=3 1419 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [2,0,0,0,0,0|2,0,0]=4 1420 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [2,0,0,0,0,0|2,0,0]=4 1421 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [2,0,0,0,0,0|2,0,0]=4 1422 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [2,0,0,0,0,0|2,0,0]=4 1423 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [2,0,0,0,0,0|1,0,0]=3 1424 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [2,0,0,0,0,0|1,0,1]=4 1425 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [2,0,0,0,0,0|1,0,0]=3 1426 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [2,0,0,0,0,0|1,0,1]=4 1427 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [2,0,0,0,0,0|1,0,0]=3 1428 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [2,0,0,0,0,0|1,0,1]=4 1429 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [2,0,0,0,0,0|2,0,0]=4 1430 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [2,0,0,0,0,0|1,0,0]=3 1431 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [2,0,0,0,0,0|1,0,1]=4 1432 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [2,0,0,0,0,0|1,0,1]=4 1433 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [2,0,0,0,0,0|1,0,1]=4 1434 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [2,0,0,0,0,0|1,0,1]=4 1435 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [2,0,0,0,0,0|2,0,0]=4 1436 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [2,0,0,0,0,0|1,0,0]=3 1437 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [2,0,0,0,0,0|1,0,0]=3 1438 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [2,0,0,0,0,0|1,0,0]=3 1439 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [2,0,0,0,0,0|1,0,0]=3 1440 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [2,0,0,0,0,0|0,0,0]=2 1441 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [2,0,0,0,0,0|0,0,0]=2 1442 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [2,0,0,0,0,0|2,0,0]=4 1443 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [2,0,0,0,0,0|1,0,0]=3 1444 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [2,0,0,0,0,0|1,0,1]=4 1445 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [2,0,0,0,0,0|1,0,1]=4 1446 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [2,0,0,0,0,0|1,0,1]=4 1447 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|0,0,1]=3 1448 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|0,0,1]=3 1449 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [2,0,0,0,0,0|1,0,1]=4 1450 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [2,0,0,0,0,0|2,0,0]=4 1451 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [2,0,0,0,0,0|2,0,0]=4 1452 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [2,0,0,0,0,0|1,0,1]=4 1453 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [2,0,0,0,0,0|1,0,1]=4 1454 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [2,0,0,0,0,0|1,0,1]=4 1455 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [2,0,0,0,0,0|1,0,1]=4 1456 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [2,0,0,0,0,0|2,0,0]=4 1457 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [2,0,0,0,0,0|1,0,1]=4 1458 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [2,0,0,0,0,0|2,0,0]=4 1459 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [2,0,0,0,0,0|2,0,0]=4 1460 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [2,0,0,0,0,0|2,0,0]=4 1461 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [2,0,0,0,0,0|2,0,0]=4 1462 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [2,0,0,0,0,0|1,0,0]=3 1463 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [2,0,0,0,0,0|1,0,0]=3 1464 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [2,0,0,0,0,0|1,0,0]=3 1465 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [2,0,0,0,0,0|1,0,0]=3 1466 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [2,0,0,0,0,0|1,0,0]=3 1467 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [2,0,0,0,0,0|1,1,0]=4 1468 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [2,0,0,0,0,0|1,1,0]=4 1469 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [2,0,0,0,0,0|1,1,0]=4 1470 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [2,0,0,0,0,0|1,1,0]=4 1471 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [2,0,0,0,0,0|1,1,0]=4 1472 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [2,0,0,0,0,0|2,0,0]=4 1473 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [2,0,0,0,0,0|2,0,0]=4 1474 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [2,0,0,0,0,0|2,0,0]=4 1475 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [2,0,0,0,0,0|1,0,1]=4 1476 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [2,0,0,0,0,0|1,0,1]=4 1477 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [2,0,0,0,0,0|1,0,1]=4 1478 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [2,0,0,0,0,0|1,0,1]=4 1479 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [2,0,0,0,0,0|1,0,1]=4 1480 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [2,0,0,0,0,0|1,0,1]=4 1481 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [2,0,0,0,0,0|2,0,0]=4 1482 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 1483 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 1484 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 1485 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 1486 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 1487 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 1488 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 1489 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 1490 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 1491 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 1492 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 1493 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [2,0,0,0,0,0|0,0,1]=3 1494 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [2,0,0,0,0,0|0,0,1]=3 1495 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [2,0,0,0,0,0|2,0,0]=4 1496 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [2,0,0,0,0,0|2,0,0]=4 1497 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [2,0,0,0,0,0|2,0,0]=4 1498 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [2,0,0,0,0,0|2,0,0]=4 1499 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [2,0,0,0,0,0|2,0,0]=4 1500 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [2,0,0,0,0,0|2,0,0]=4 1501 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [2,0,0,0,0,0|2,0,0]=4 1502 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [2,0,0,0,0,0|2,0,0]=4 1503 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [2,0,0,0,0,0|2,0,0]=4 1504 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [2,0,0,0,0,0|1,1,0]=4 1505 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [2,0,0,0,0,0|1,1,0]=4 1506 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [2,0,0,0,0,0|0,1,0]=3 1507 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [2,0,0,0,0,0|0,1,0]=3 1508 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [2,0,0,0,0,0|0,1,1]=4 1509 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [2,0,0,0,0,0|0,1,1]=4 1510 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [2,0,0,0,0,0|2,0,0]=4 1511 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [2,0,0,0,0,0|2,0,0]=4 1512 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [2,0,0,0,0,0|1,1,0]=4 1513 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [2,0,0,0,0,0|1,1,0]=4 1514 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [2,0,0,0,0,0|1,1,0]=4 1515 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [2,0,0,0,0,0|1,1,0]=4 1516 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [2,0,0,0,0,0|1,1,0]=4 1517 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [2,0,0,0,0,0|1,1,0]=4 1518 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [2,0,0,0,0,0|1,0,1]=4 1519 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [2,0,0,0,0,0|1,0,1]=4 1520 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 1521 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 1522 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 1523 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 1524 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 1525 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 1526 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 1527 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [2,0,0,0,0,0|0,0,1]=3 1528 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [2,0,0,0,0,0|0,0,1]=3 1529 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [2,0,0,0,0,0|1,1,0]=4 1530 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [2,0,0,0,0,0|1,1,0]=4 1531 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [2,0,0,0,0,0|0,1,0]=3 1532 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [2,0,0,0,0,0|0,1,0]=3 1533 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [2,0,0,0,0,0|0,1,1]=4 1534 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [2,0,0,0,0,0|0,1,1]=4 1535 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [2,0,0,0,0,0|1,1,0]=4 1536 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [2,0,0,0,0,0|1,1,0]=4 1537 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [2,0,0,0,0,0|1,1,0]=4 1538 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [2,0,0,0,0,0|1,1,0]=4 1539 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [2,0,0,0,0,0|1,1,0]=4 1540 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [2,0,0,0,0,0|1,1,0]=4 1541 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [2,0,0,0,0,0|1,0,1]=4 1542 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [2,0,0,0,0,0|2,0,0]=4 1543 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [2,0,0,0,0,0|2,0,0]=4 1544 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [2,0,0,0,0,0|2,0,0]=4 1545 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [2,0,0,0,0,0|2,0,0]=4 1546 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [2,0,0,0,0,0|2,0,0]=4 1547 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [2,0,0,0,0,0|1,0,0]=3 1548 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [2,0,0,0,0,0|2,0,0]=4 1549 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [2,0,0,0,0,0|2,0,0]=4 1550 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [2,0,0,0,0,0|2,0,0]=4 1551 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [2,0,0,0,0,0|2,0,0]=4 1552 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [2,0,0,0,0,0|2,0,0]=4 1553 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [2,0,0,0,0,0|2,0,0]=4 1554 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [2,0,0,0,0,0|2,0,0]=4 1555 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 1556 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [2,0,0,0,0,0|1,0,1]=4 1557 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 1558 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [2,0,0,0,0,0|2,0,0]=4 1559 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 1560 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [2,0,0,0,0,0|2,0,0]=4 1561 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [2,0,0,0,0,0|1,0,1]=4 1562 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 1564 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [2,0,0,0,0,0|1,0,1]=4 1565 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [2,0,0,0,0,0|1,0,1]=4 1566 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1567 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1568 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 1569 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 1570 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 1571 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 1572 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [2,0,0,0,0,0|1,0,0]=3 1573 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 1574 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [2,0,0,0,0,0|1,0,1]=4 1576 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [2,0,0,0,0,0|1,0,1]=4 1577 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 1578 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 1579 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 1580 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 1581 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [2,0,0,0,0,0|2,0,0]=4 1582 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 1583 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 1584 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [2,0,0,0,0,0|1,0,0]=3 1585 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 1586 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 1587 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [2,0,0,0,0,0|1,0,1]=4 1588 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [2,0,0,0,0,0|1,0,1]=4 1589 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 1590 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 1591 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 1592 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 1593 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 1594 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 1595 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [2,0,0,0,0,0|2,0,0]=4 1596 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [2,0,0,0,0,0|1,0,0]=3 1597 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 1598 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 1599 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [2,0,0,0,0,0|1,0,1]=4 1600 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [2,0,0,0,0,0|1,0,1]=4 1601 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 1602 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 1603 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 1604 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 1605 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 1606 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 1607 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 1608 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 1609 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [2,0,0,0,0,0|1,0,0]=3 1610 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1611 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 1612 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1613 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1614 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 1615 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 1616 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 1617 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 1618 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 1619 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 1620 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 1621 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 1622 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 1623 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 1624 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 1625 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 1626 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [2,0,0,0,0,0|2,0,0]=4 1627 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [2,0,0,0,0,0|1,0,0]=3 1628 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [2,0,0,0,0,0|1,0,0]=3 1629 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [2,0,0,0,0,0|0,0,1]=3 1630 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [2,0,0,0,0,0|1,0,0]=3 1631 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [2,0,0,0,0,0|1,0,0]=3 1632 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [2,0,0,0,0,0|1,0,0]=3 1633 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [2,0,0,0,0,0|0,0,0]=2 1634 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [2,0,0,0,0,0|0,0,0]=2 1635 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [2,0,0,0,0,0|2,0,0]=4 1636 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [2,0,0,0,0,0|2,0,0]=4 1637 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [2,0,0,0,0,0|2,0,0]=4 1638 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [2,0,0,0,0,0|1,0,1]=4 1639 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [2,0,0,0,0,0|2,0,0]=4 1640 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [2,0,0,0,0,0|2,0,0]=4 1641 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [2,0,0,0,0,0|2,0,0]=4 1642 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [2,0,0,0,0,0|2,0,0]=4 1643 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [2,0,0,0,0,0|2,0,0]=4 1644 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [2,0,0,0,0,0|1,0,1]=4 1645 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [2,0,0,0,0,0|2,0,0]=4 1646 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [2,0,0,0,0,0|2,0,0]=4 1647 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [2,0,0,0,0,0|2,0,0]=4 1648 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [2,0,0,0,0,0|2,0,0]=4 1649 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [2,0,0,0,0,0|1,0,1]=4 1650 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [2,0,0,0,0,0|2,0,0]=4 1651 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [2,0,0,0,0,0|1,0,0]=3 1652 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [2,0,0,0,0,0|2,0,0]=4 1653 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [2,0,0,0,0,0|1,1,0]=4 1654 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [2,0,0,0,0,0|1,1,0]=4 1655 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [2,0,0,0,0,0|1,1,0]=4 1656 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [2,0,0,0,0,0|1,1,0]=4 1657 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [2,0,0,0,0,0|1,1,0]=4 1658 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [2,0,0,0,0,0|1,1,0]=4 1659 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [2,0,0,0,0,0|1,1,0]=4 1660 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [2,0,0,0,0,0|1,1,0]=4 1661 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [2,0,0,0,0,0|1,1,0]=4 1662 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [2,0,0,0,0,0|1,1,0]=4 1663 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [2,0,0,0,0,0|1,1,0]=4 1664 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [2,0,0,0,0,0|1,1,0]=4 1665 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [2,0,0,0,0,0|1,1,0]=4 1666 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [2,0,0,0,0,0|0,1,1]=4 1667 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [2,0,0,0,0,0|0,1,1]=4 1668 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [2,0,0,0,0,0|0,1,1]=4 1669 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [2,0,0,0,0,0|1,1,0]=4 1670 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [2,0,0,0,0,0|1,1,0]=4 1671 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [2,0,0,0,0,0|1,1,0]=4 1672 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [2,0,0,0,0,0|1,1,0]=4 1673 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [2,0,0,0,0,0|1,1,0]=4 1674 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [2,0,0,0,0,0|1,1,0]=4 1675 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [2,0,0,0,0,0|0,1,0]=3 1676 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [2,0,0,0,0,0|1,0,1]=4 1677 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [2,0,0,0,0,0|1,0,1]=4 1678 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [2,0,0,0,0,0|1,0,1]=4 1679 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [2,0,0,0,0,0|1,0,1]=4 1680 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [2,0,0,0,0,0|1,0,1]=4 1681 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [2,0,0,0,0,0|1,0,1]=4 1682 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [2,0,0,0,0,0|1,0,1]=4 1683 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [2,0,0,0,0,0|1,0,1]=4 1684 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [2,0,0,0,0,0|1,0,1]=4 1685 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 1686 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 1687 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [2,0,0,0,0,0|0,1,1]=4 1688 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [2,0,0,0,0,0|0,1,1]=4 1689 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [2,0,0,0,0,0|2,0,0]=4 1690 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 1691 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 1692 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 1693 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 1694 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 1695 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 1696 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [2,0,0,0,0,0|2,0,0]=4 1697 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 1698 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 1699 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [2,0,0,0,0,0|1,1,0]=4 1700 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [2,0,0,0,0,0|1,1,0]=4 1701 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [2,0,0,0,0,0|2,0,0]=4 1702 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [2,0,0,0,0,0|2,0,0]=4 1703 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [2,0,0,0,0,0|2,0,0]=4 1704 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [2,0,0,0,0,0|2,0,0]=4 1705 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [2,0,0,0,0,0|2,0,0]=4 1706 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [2,0,0,0,0,0|2,0,0]=4 1707 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [2,0,0,0,0,0|2,0,0]=4 1708 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [2,0,0,0,0,0|2,0,0]=4 1709 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [2,0,0,0,0,0|2,0,0]=4 1710 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [2,0,0,0,0,0|2,0,0]=4 1711 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 1712 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 1713 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 1714 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [2,0,0,0,0,0|2,0,0]=4 1715 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 1716 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 1717 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1718 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1719 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 1720 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 1721 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 1722 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 1723 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 1724 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 1725 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 1726 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 1727 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 1728 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 1729 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 1730 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 1731 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [2,0,0,0,0,0|2,0,0]=4 1732 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 1733 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 1734 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 1735 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 1736 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 1737 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 1738 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 1739 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 1740 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 1741 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 1742 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1743 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 1744 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1745 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1746 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 1747 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 1748 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 1749 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 1750 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 1751 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 1752 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 1753 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 1754 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 1755 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 1756 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [2,0,0,0,0,0|2,0,0]=4 1757 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [2,0,0,0,0,0|1,1,0]=4 1758 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [2,0,0,0,0,0|1,1,0]=4 1759 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [2,0,0,0,0,0|1,1,0]=4 1760 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [2,0,0,0,0,0|1,1,0]=4 1761 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [2,0,0,0,0,0|1,1,0]=4 1762 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [2,0,0,0,0,0|1,1,0]=4 1763 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [2,0,0,0,0,0|1,1,0]=4 1764 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [2,0,0,0,0,0|1,1,0]=4 1765 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [2,0,0,0,0,0|1,1,0]=4 1766 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [2,0,0,0,0,0|1,1,0]=4 1767 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [2,0,0,0,0,0|1,1,0]=4 1768 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [2,0,0,0,0,0|1,1,0]=4 1769 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [2,0,0,0,0,0|1,1,0]=4 1770 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [2,0,0,0,0,0|1,1,0]=4 1771 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [2,0,0,0,0,0|1,1,0]=4 1772 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [2,0,0,0,0,0|1,1,0]=4 1773 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [2,0,0,0,0,0|0,1,0]=3 1774 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)C 271570a_203496583355_200010713620 [1,1,0,0,0,0|1,0,1]=4 1775 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100000164573 [1,1,0,0,0,0|1,0,1]=4 1776 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [1,1,0,0,0,0|2,0,0]=4 1783 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [1,1,0,0,0,0|2,0,0]=4 1784 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [1,1,0,0,0,0|2,0,0]=4 1785 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [1,1,0,0,0,0|2,0,0]=4 1786 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [1,1,0,0,0,0|2,0,0]=4 1787 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [1,1,0,0,0,0|2,0,0]=4 1788 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [1,1,0,0,0,0|1,0,0]=3 1789 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [1,1,0,0,0,0|1,0,0]=3 1790 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [1,1,0,0,0,0|1,1,0]=4 1791 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [1,1,0,0,0,0|1,1,0]=4 1792 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1793 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [1,1,0,0,0,0|2,0,0]=4 1795 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [1,1,0,0,0,0|2,0,0]=4 1808 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [1,1,0,0,0,0|1,0,0]=3 1809 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [1,1,0,0,0,0|1,0,0]=3 1810 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [1,1,0,0,0,0|1,0,0]=3 1811 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [1,1,0,0,0,0|1,0,0]=3 1812 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [1,1,0,0,0,0|1,0,1]=4 1813 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [1,1,0,0,0,0|1,0,1]=4 1814 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [1,1,0,0,0,0|1,0,0]=3 1829 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [1,1,0,0,0,0|1,0,0]=3 1830 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [1,1,0,0,0,0|1,0,0]=3 1831 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [1,1,0,0,0,0|1,0,1]=4 1832 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [1,1,0,0,0,0|1,1,0]=4 1833 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [1,1,0,0,0,0|1,1,0]=4 1834 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [1,1,0,0,0,0|1,1,0]=4 1835 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [1,1,0,0,0,0|1,1,0]=4 1836 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [1,1,0,0,0,0|1,1,0]=4 1837 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [1,1,0,0,0,0|1,1,0]=4 1838 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [1,1,0,0,0,0|2,0,0]=4 1839 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [1,1,0,0,0,0|2,0,0]=4 1840 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [1,1,0,0,0,0|2,0,0]=4 1841 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [1,1,0,0,0,0|1,0,1]=4 1842 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [1,1,0,0,0,0|1,0,1]=4 1843 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [1,1,0,0,0,0|1,1,0]=4 1844 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [1,1,0,0,0,0|1,1,0]=4 1845 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [1,1,0,0,0,0|2,0,0]=4 1846 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1848 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [1,1,0,0,0,0|1,1,0]=4 1849 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [1,1,0,0,0,0|1,1,0]=4 1850 B12R1.232 C=C(C)c1cc(c(cc1C)O)C 271570a_100000694244_100000698207 [1,1,0,0,0,0|2,0,0]=4 1851 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [1,1,0,0,0,0|2,0,0]=4 1854 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [1,1,0,0,0,0|2,0,0]=4 1858 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [1,1,0,0,0,0|2,0,0]=4 1859 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1862 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [1,1,0,0,0,0|1,0,0]=3 1867 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [1,1,0,0,0,0|2,0,0]=4 1876 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [1,1,0,0,0,0|2,0,0]=4 1877 B12R1.232 Cc1cc(c(cc1O)C)B(O)O 271570a_203496583355_200009814245 [1,1,0,0,0,0|1,0,1]=4 1878 B12R1.232 Cc1cc(c(cc1O)F)B(O)O 271570a_203496583355_100010264400 [1,1,0,0,0,0|1,0,1]=4 1879 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [1,1,0,0,0,0|2,0,0]=4 1890 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [1,1,0,0,0,0|1,0,0]=3 1891 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [1,1,0,0,0,0|1,0,0]=3 1892 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [1,1,0,0,0,0|2,0,0]=4 1893 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [1,1,0,0,0,0|2,0,0]=4 1894 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [1,1,0,0,0,0|2,0,0]=4 1895 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [1,1,0,0,0,0|2,0,0]=4 1898 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [1,1,0,0,0,0|1,0,0]=3 1902 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [1,1,0,0,0,0|2,0,0]=4 1908 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [1,1,0,0,0,0|2,0,0]=4 1909 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [1,1,0,0,0,0|2,0,0]=4 1910 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [1,1,0,0,0,0|2,0,0]=4 1911 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [1,1,0,0,0,0|2,0,0]=4 1912 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 1913 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 1914 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [1,1,0,0,0,0|2,0,0]=4 1915 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [1,1,0,0,0,0|2,0,0]=4 1916 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 1917 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [1,1,0,0,0,0|2,0,0]=4 1919 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [1,1,0,0,0,0|2,0,0]=4 1920 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 1921 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 1922 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [1,1,0,0,0,0|1,0,0]=3 1924 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [1,1,0,0,0,0|1,0,0]=3 1925 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [1,1,0,0,0,0|2,0,0]=4 1927 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [1,1,0,0,0,0|1,0,0]=3 1944 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [1,1,0,0,0,0|1,0,0]=3 1947 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [1,1,0,0,0,0|0,0,0]=2 1948 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [1,1,0,0,0,0|1,0,0]=3 1949 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [1,1,0,0,0,0|1,0,0]=3 1950 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [1,1,0,0,0,0|1,0,0]=3 1951 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [1,1,0,0,0,0|1,0,0]=3 1952 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [1,1,0,0,0,0|1,0,0]=3 1953 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [1,1,0,0,0,0|1,0,0]=3 1954 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [1,1,0,0,0,0|1,0,0]=3 1955 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [1,1,0,0,0,0|1,0,0]=3 1956 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [1,1,0,0,0,0|0,0,0]=2 1957 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [1,1,0,0,0,0|0,0,0]=2 1958 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [1,1,0,0,0,0|1,0,0]=3 1959 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [1,1,0,0,0,0|2,0,0]=4 1960 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [1,1,0,0,0,0|2,0,0]=4 1961 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [1,1,0,0,0,0|2,0,0]=4 1962 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [1,1,0,0,0,0|1,0,0]=3 1964 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [1,1,0,0,0,0|1,0,0]=3 1965 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [1,1,0,0,0,0|1,0,0]=3 1967 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [1,1,0,0,0,0|1,0,0]=3 1973 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [1,1,0,0,0,0|1,0,0]=3 1974 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [1,1,0,0,0,0|1,0,1]=4 1976 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [1,1,0,0,0,0|1,0,0]=3 1981 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [1,1,0,0,0,0|1,0,0]=3 1982 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [1,1,0,0,0,0|1,0,0]=3 1996 B12R1.893 C=C(C)c1ccc(c(c1C)C)O 271570a_100000694244_100012353674 [1,1,0,0,0,0|2,0,0]=4 1997 B12R1.893 C=C(C)c1ccc(c(c1F)C)O 271570a_100000694244_100010390934 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [1,1,0,0,0,0|1,0,0]=3 2002 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [1,1,0,0,0,0|2,0,0]=4 2003 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [1,1,0,0,0,0|2,0,0]=4 2004 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [1,1,0,0,0,0|2,0,0]=4 2005 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [1,1,0,0,0,0|2,0,0]=4 2006 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [1,1,0,0,0,0|1,0,0]=3 2013 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [1,1,0,0,0,0|2,0,0]=4 2017 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [1,1,0,0,0,0|2,0,0]=4 2020 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2022 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [1,1,0,0,0,0|1,0,0]=3 2023 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [1,1,0,0,0,0|1,0,0]=3 2026 B12R1.1005 C=C(C)c1cc(c(c(c1)Br)O)C 271570a_100000694244_100010982682 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.1005 C=C(C)c1cc(c(c(c1)C)O)C 271570a_100000694244_100000187306 [1,1,0,0,0,0|2,0,0]=4 2028 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)C 271570a_100000694244_200015900153 [1,1,0,0,0,0|2,0,0]=4 2029 B12R1.1005 C=C(C)c1cc(c(c(c1)N)O)C 271570a_100000694244_100011825904 [1,1,0,0,0,0|2,0,0]=4 2030 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [1,1,0,0,0,0|1,0,0]=3 2032 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [1,1,0,0,0,0|1,0,0]=3 2038 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [1,1,0,0,0,0|1,0,0]=3 2040 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [1,1,0,0,0,0|1,0,0]=3 2048 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.1005 Cc1cc(cc(c1O)C)B(O)O 271570a_203496583355_100010769218 [1,1,0,0,0,0|1,0,1]=4 2056 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [1,1,0,0,0,0|1,0,0]=3 2057 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [1,1,0,0,0,0|1,0,0]=3 2058 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [1,1,0,0,0,0|1,0,0]=3 2059 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [1,1,0,0,0,0|2,0,0]=4 2060 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [1,1,0,0,0,0|1,0,0]=3 2061 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2062 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [1,1,0,0,0,0|1,0,0]=3 2063 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [1,1,0,0,0,0|2,0,0]=4 2065 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [1,1,0,0,0,0|1,0,0]=3 2068 B12R1.11 C=C(C)c1cc(cc(c1)OC)Br 271570a_100000694244_100010141301 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.11 C=C(C)c1cc(cc(c1)OC)Cl 271570a_100000694244_100010147680 [1,1,0,0,0,0|2,0,0]=4 2071 B12R1.11 C=C(C)c1cc(cc(c1)OC)F 271570a_100000694244_100011934182 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.11 C=C(C)c1cc(cc(c1)OC)N 271570a_100000694244_100000750983 [1,1,0,0,0,0|2,0,0]=4 2073 B12R1.11 C=C(C)c1cc(cc(c1)OC)O 271570a_100000694244_100010068927 [1,1,0,0,0,0|2,0,0]=4 2074 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [1,1,0,0,0,0|1,0,0]=3 2075 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [1,1,0,0,0,0|1,0,0]=3 2076 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [1,1,0,0,0,0|1,1,0]=4 2077 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [1,1,0,0,0,0|1,1,0]=4 2078 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [1,1,0,0,0,0|1,1,0]=4 2079 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [1,1,0,0,0,0|1,1,0]=4 2080 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [1,1,0,0,0,0|1,1,0]=4 2081 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [1,1,0,0,0,0|1,1,0]=4 2082 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 34a_200011998915_200000210301 [1,1,0,0,0,0|2,0,0]=4 2083 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 7a_200011998915_200000210301 [1,1,0,0,0,0|2,0,0]=4 2084 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [1,1,0,0,0,0|1,0,1]=4 2085 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [1,1,0,0,0,0|1,0,0]=3 2086 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [1,1,0,0,0,0|1,0,0]=3 2087 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [1,1,0,0,0,0|1,0,0]=3 2088 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [1,1,0,0,0,0|1,0,0]=3 2089 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [1,1,0,0,0,0|1,0,0]=3 2090 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [1,1,0,0,0,0|1,0,0]=3 2091 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [1,1,0,0,0,0|1,0,0]=3 2092 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [1,1,0,0,0,0|1,0,0]=3 2093 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [1,1,0,0,0,0|1,0,0]=3 2094 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [1,1,0,0,0,0|1,0,0]=3 2095 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [1,1,0,0,0,0|1,0,0]=3 2096 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [1,1,0,0,0,0|1,0,0]=3 2097 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [1,1,0,0,0,0|1,0,0]=3 2098 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [1,1,0,0,0,0|1,0,0]=3 2099 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [1,1,0,0,0,0|1,0,0]=3 2100 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [1,1,0,0,0,0|1,0,0]=3 2101 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [1,1,0,0,0,0|1,0,0]=3 2102 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [1,1,0,0,0,0|1,0,0]=3 2103 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [1,1,0,0,0,0|1,0,1]=4 2104 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [1,1,0,0,0,0|1,0,1]=4 2105 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [1,1,0,0,0,0|1,0,1]=4 2106 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [1,1,0,0,0,0|1,0,1]=4 2107 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [1,1,0,0,0,0|1,0,1]=4 2108 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [1,1,0,0,0,0|1,0,1]=4 2109 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [1,1,0,0,0,0|1,0,1]=4 2110 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [1,1,0,0,0,0|1,0,1]=4 2111 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [1,1,0,0,0,0|1,1,0]=4 2112 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [1,1,0,0,0,0|1,1,0]=4 2113 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [1,1,0,0,0,0|1,1,0]=4 2114 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [1,1,0,0,0,0|1,1,0]=4 2115 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [1,1,0,0,0,0|1,1,0]=4 2116 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [1,1,0,0,0,0|1,1,0]=4 2117 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [1,1,0,0,0,0|1,1,0]=4 2118 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [1,1,0,0,0,0|1,1,0]=4 2119 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200000210301_200011280034 [1,1,0,0,0,0|1,1,0]=4 2120 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200011280034_200000210301 [1,1,0,0,0,0|1,1,0]=4 2121 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_100010084318_200000210301 [1,1,0,0,0,0|1,1,0]=4 2122 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_200000210301_100010084318 [1,1,0,0,0,0|1,1,0]=4 2123 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [1,1,0,0,0,0|1,1,0]=4 2124 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [1,1,0,0,0,0|1,1,0]=4 2125 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [1,1,0,0,0,0|1,0,1]=4 2126 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [1,1,0,0,0,0|1,0,1]=4 2127 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 34a_200011998915_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 7a_200011998915_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [1,1,0,0,0,0|1,0,0]=3 2130 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [1,1,0,0,0,0|1,0,0]=3 2131 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2132 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2133 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [1,1,0,0,0,0|1,0,1]=4 2134 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [1,1,0,0,0,0|1,0,1]=4 2135 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [1,1,0,0,0,0|1,0,1]=4 2136 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [1,1,0,0,0,0|1,0,1]=4 2137 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200011280034_200025704644 [1,1,0,0,0,0|1,1,0]=4 2138 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200025704644_200011280034 [1,1,0,0,0,0|1,1,0]=4 2139 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_100010084318_200025704644 [1,1,0,0,0,0|1,1,0]=4 2140 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_200025704644_100010084318 [1,1,0,0,0,0|1,1,0]=4 2141 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [1,1,0,0,0,0|2,0,0]=4 2142 B12R1.258 C=C(C)c1cccc(c1)C(=O)N 271570a_100000694244_100000162208 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [1,1,0,0,0,0|2,0,0]=4 2145 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [1,1,0,0,0,0|2,0,0]=4 2147 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [1,1,0,0,0,0|2,0,0]=4 2148 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [1,1,0,0,0,0|2,0,0]=4 2149 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [1,1,0,0,0,0|2,0,0]=4 2150 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [1,1,0,0,0,0|2,0,0]=4 2151 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [1,1,0,0,0,0|2,0,0]=4 2152 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [1,1,0,0,0,0|2,0,0]=4 2153 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [1,1,0,0,0,0|1,1,0]=4 2155 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [1,1,0,0,0,0|1,1,0]=4 2156 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [1,1,0,0,0,0|1,0,0]=3 2157 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [1,1,0,0,0,0|1,0,0]=3 2158 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [1,1,0,0,0,0|1,1,0]=4 2159 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [1,1,0,0,0,0|1,1,0]=4 2160 B12R1.279 CC(O)c1cccc(c1)OCF 34a_100000748013_100015361967 [1,1,0,0,0,0|1,0,1]=4 2161 B12R1.279 CC(O)c1cccc(c1)OCF 7a_100000748013_100015361967 [1,1,0,0,0,0|1,0,1]=4 2162 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [1,1,0,0,0,0|2,0,0]=4 2163 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [1,1,0,0,0,0|2,0,0]=4 2164 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [1,1,0,0,0,0|1,0,0]=3 2166 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [1,1,0,0,0,0|1,0,0]=3 2167 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [1,1,0,0,0,0|1,0,0]=3 2168 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [1,1,0,0,0,0|1,0,0]=3 2169 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [1,1,0,0,0,0|1,0,0]=3 2170 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [1,1,0,0,0,0|1,0,0]=3 2171 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [1,1,0,0,0,0|1,1,0]=4 2172 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [1,1,0,0,0,0|1,0,1]=4 2173 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [1,1,0,0,0,0|1,0,1]=4 2174 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [1,1,0,0,0,0|1,0,1]=4 2175 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [1,1,0,0,0,0|1,0,1]=4 2176 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2177 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [1,1,0,0,0,0|1,1,0]=4 2178 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [1,1,0,0,0,0|1,1,0]=4 2179 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [1,1,0,0,0,0|1,1,0]=4 2180 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [1,1,0,0,0,0|1,1,0]=4 2181 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [1,1,0,0,0,0|2,0,0]=4 2182 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [1,1,0,0,0,0|2,0,0]=4 2183 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [1,1,0,0,0,0|2,0,0]=4 2184 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [1,1,0,0,0,0|2,0,0]=4 2185 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [1,1,0,0,0,0|2,0,0]=4 2186 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [1,1,0,0,0,0|2,0,0]=4 2188 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [1,1,0,0,0,0|2,0,0]=4 2189 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [1,1,0,0,0,0|2,0,0]=4 2190 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [1,1,0,0,0,0|2,0,0]=4 2191 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [1,1,0,0,0,0|1,0,0]=3 2192 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [1,1,0,0,0,0|1,0,1]=4 2193 B12R1.279 COCc1cccc(c1)B(O)O 34a_100138415774_100009814088 [1,1,0,0,0,0|1,0,1]=4 2194 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [1,1,0,0,0,0|1,0,0]=3 2195 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [1,1,0,0,0,0|1,0,0]=3 2196 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [1,1,0,0,0,0|1,0,0]=3 2197 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [1,1,0,0,0,0|1,0,0]=3 2198 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2199 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [1,1,0,0,0,0|1,0,1]=4 2200 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2201 B12R1.279 COCc1cncc(c1)C(=O)N 34a_100138415774_200010162415 [1,1,0,0,0,0|2,0,0]=4 2202 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [1,1,0,0,0,0|1,1,0]=4 2203 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [1,1,0,0,0,0|1,1,0]=4 2204 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [1,1,0,0,0,0|1,1,0]=4 2205 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [1,1,0,0,0,0|1,1,0]=4 2206 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [1,1,0,0,0,0|2,0,0]=4 2207 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [1,1,0,0,0,0|1,0,0]=3 2208 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [1,1,0,0,0,0|1,0,0]=3 2209 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [1,1,0,0,0,0|1,1,0]=4 2210 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [1,1,0,0,0,0|1,1,0]=4 2211 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [1,1,0,0,0,0|1,1,0]=4 2213 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [1,1,0,0,0,0|1,0,1]=4 2214 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [1,1,0,0,0,0|1,0,1]=4 2215 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [1,1,0,0,0,0|2,0,0]=4 2216 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [1,1,0,0,0,0|2,0,0]=4 2217 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [1,1,0,0,0,0|1,0,0]=3 2218 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2219 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2220 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [1,1,0,0,0,0|1,1,0]=4 2221 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [1,1,0,0,0,0|1,1,0]=4 2222 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [1,1,0,0,0,0|1,0,1]=4 2223 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2225 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [1,1,0,0,0,0|1,0,0]=3 2226 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2227 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2228 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2229 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2230 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [1,1,0,0,0,0|1,1,0]=4 2231 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [1,1,0,0,0,0|1,1,0]=4 2232 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [1,1,0,0,0,0|1,1,0]=4 2233 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [1,1,0,0,0,0|1,1,0]=4 2234 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [1,1,0,0,0,0|1,1,0]=4 2235 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [1,1,0,0,0,0|2,0,0]=4 2237 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [1,1,0,0,0,0|2,0,0]=4 2240 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [1,1,0,0,0,0|2,0,0]=4 2241 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [1,1,0,0,0,0|1,0,0]=3 2243 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [1,1,0,0,0,0|1,0,0]=3 2244 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [1,1,0,0,0,0|1,0,0]=3 2245 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [1,1,0,0,0,0|1,0,0]=3 2246 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [1,1,0,0,0,0|1,0,0]=3 2247 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [1,1,0,0,0,0|1,0,0]=3 2248 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [1,1,0,0,0,0|1,0,0]=3 2249 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [1,1,0,0,0,0|1,0,0]=3 2250 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [1,1,0,0,0,0|1,1,0]=4 2251 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [1,1,0,0,0,0|1,1,0]=4 2252 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [1,1,0,0,0,0|1,1,0]=4 2253 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [1,1,0,0,0,0|1,1,0]=4 2254 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [1,1,0,0,0,0|1,1,0]=4 2255 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [1,1,0,0,0,0|1,1,0]=4 2256 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [1,1,0,0,0,0|1,1,0]=4 2257 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [1,1,0,0,0,0|1,1,0]=4 2258 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [1,1,0,0,0,0|2,0,0]=4 2259 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [1,1,0,0,0,0|1,0,0]=3 2261 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [1,1,0,0,0,0|1,1,0]=4 2262 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [1,1,0,0,0,0|1,1,0]=4 2263 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [1,1,0,0,0,0|1,1,0]=4 2264 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [1,1,0,0,0,0|1,1,0]=4 2265 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [1,1,0,0,0,0|0,0,0]=2 2266 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [1,1,0,0,0,0|0,0,0]=2 2267 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [1,1,0,0,0,0|0,0,0]=2 2268 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [1,1,0,0,0,0|0,0,0]=2 2269 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [1,1,0,0,0,0|0,1,0]=3 2270 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [1,1,0,0,0,0|0,1,0]=3 2271 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [1,1,0,0,0,0|0,1,0]=3 2272 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [1,1,0,0,0,0|0,1,0]=3 2273 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [1,1,0,0,0,0|1,1,0]=4 2274 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [1,1,0,0,0,0|1,1,0]=4 2275 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [1,1,0,0,0,0|1,1,0]=4 2276 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [1,1,0,0,0,0|1,1,0]=4 2277 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [1,1,0,0,0,0|1,0,0]=3 2278 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [1,1,0,0,0,0|1,0,0]=3 2279 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [1,1,0,0,0,0|1,1,0]=4 2280 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [1,1,0,0,0,0|1,1,0]=4 2281 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [1,1,0,0,0,0|1,1,0]=4 2282 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [1,1,0,0,0,0|1,1,0]=4 2283 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [1,1,0,0,0,0|1,0,0]=3 2284 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [1,1,0,0,0,0|1,0,0]=3 2285 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [1,1,0,0,0,0|1,0,0]=3 2286 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [1,1,0,0,0,0|1,0,0]=3 2287 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [1,1,0,0,0,0|1,1,0]=4 2288 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [1,1,0,0,0,0|1,1,0]=4 2289 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [1,1,0,0,0,0|1,1,0]=4 2290 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [1,1,0,0,0,0|1,1,0]=4 2291 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [1,1,0,0,0,0|1,0,0]=3 2293 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [1,1,0,0,0,0|1,0,0]=3 2294 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [1,1,0,0,0,0|1,0,0]=3 2295 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [1,1,0,0,0,0|1,0,0]=3 2296 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2297 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2298 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2299 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2300 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [1,1,0,0,0,0|1,0,1]=4 2301 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2302 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [1,1,0,0,0,0|1,1,0]=4 2303 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [1,1,0,0,0,0|0,1,1]=4 2304 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [1,1,0,0,0,0|0,1,1]=4 2305 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [1,1,0,0,0,0|1,1,0]=4 2306 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [1,1,0,0,0,0|1,1,0]=4 2307 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [1,1,0,0,0,0|1,1,0]=4 2308 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [1,1,0,0,0,0|1,1,0]=4 2309 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [1,1,0,0,0,0|1,1,0]=4 2310 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [1,1,0,0,0,0|1,0,0]=3 2311 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [1,1,0,0,0,0|1,0,0]=3 2312 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [1,1,0,0,0,0|1,0,0]=3 2313 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [1,1,0,0,0,0|1,0,1]=4 2314 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [1,1,0,0,0,0|1,0,1]=4 2315 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [1,1,0,0,0,0|1,1,0]=4 2316 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [1,1,0,0,0,0|0,1,1]=4 2317 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [1,1,0,0,0,0|0,1,1]=4 2318 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [1,1,0,0,0,0|1,1,0]=4 2319 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [1,1,0,0,0,0|1,1,0]=4 2320 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [1,1,0,0,0,0|1,1,0]=4 2321 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [1,1,0,0,0,0|1,1,0]=4 2322 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 34a_200000085863_200025704644 [1,1,0,0,0,0|1,0,1]=4 2323 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 7a_200000085863_200025704644 [1,1,0,0,0,0|1,0,1]=4 2324 B12R1.436 COc1cccc(c1)C(C)(C)O 34a_200000085863_200000210301 [1,1,0,0,0,0|1,0,1]=4 2325 B12R1.436 COc1cccc(c1)C(C)(C)O 7a_200000085863_200000210301 [1,1,0,0,0,0|1,0,1]=4 2326 B12R1.436 COc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200000210301 [1,1,0,0,0,0|1,0,1]=4 2327 B12R1.436 [13CH3]Oc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200025704644 [1,1,0,0,0,0|1,0,1]=4 2328 B12R1.440 C=C(C)c1cccc(c1C)OC 271570a_100000694244_100010002647 [1,1,0,0,0,0|2,0,0]=4 2329 B12R1.440 C=C(C)c1cccc(c1Cl)OC 271570a_100000694244_100010147677 [1,1,0,0,0,0|2,0,0]=4 2330 B12R1.440 C=C(C)c1cccc(c1F)OC 271570a_100000694244_100010185846 [1,1,0,0,0,0|2,0,0]=4 2331 B12R1.440 C=C(C)c1cccc(c1N)OC 271570a_100000694244_100000708083 [1,1,0,0,0,0|2,0,0]=4 2332 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [1,1,0,0,0,0|2,0,0]=4 2333 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [1,1,0,0,0,0|1,0,0]=3 2334 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [1,1,0,0,0,0|1,0,0]=3 2335 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [1,1,0,0,0,0|1,1,0]=4 2336 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [1,1,0,0,0,0|1,1,0]=4 2337 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2338 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2339 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [1,1,0,0,0,0|1,1,0]=4 2340 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [1,1,0,0,0,0|1,1,0]=4 2341 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [1,1,0,0,0,0|1,0,0]=3 2342 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2343 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2344 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [1,1,0,0,0,0|2,0,0]=4 2345 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [1,1,0,0,0,0|1,0,0]=3 2346 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [1,1,0,0,0,0|1,0,0]=3 2347 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [1,1,0,0,0,0|1,0,1]=4 2348 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [1,1,0,0,0,0|1,0,1]=4 2349 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [1,1,0,0,0,0|1,0,0]=3 2350 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [1,1,0,0,0,0|1,0,0]=3 2351 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [1,1,0,0,0,0|1,0,0]=3 2352 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [1,1,0,0,0,0|1,0,0]=3 2353 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [1,1,0,0,0,0|1,0,1]=4 2354 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [1,1,0,0,0,0|1,0,1]=4 2355 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [1,1,0,0,0,0|1,0,0]=3 2356 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [1,1,0,0,0,0|1,0,0]=3 2357 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [1,1,0,0,0,0|1,0,1]=4 2358 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [1,1,0,0,0,0|1,0,1]=4 2359 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [1,1,0,0,0,0|1,0,0]=3 2360 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2361 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2362 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [1,1,0,0,0,0|1,0,0]=3 2363 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [1,1,0,0,0,0|1,0,0]=3 2364 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [1,1,0,0,0,0|1,0,0]=3 2365 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [1,1,0,0,0,0|1,0,1]=4 2366 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [1,1,0,0,0,0|1,0,1]=4 2367 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [1,1,0,0,0,0|1,0,0]=3 2368 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [1,1,0,0,0,0|1,0,0]=3 2369 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [1,1,0,0,0,0|1,0,1]=4 2370 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [1,1,0,0,0,0|1,0,0]=3 2371 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [1,1,0,0,0,0|1,0,1]=4 2372 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [1,1,0,0,0,0|1,0,0]=3 2373 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [1,1,0,0,0,0|1,0,0]=3 2374 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [1,1,0,0,0,0|1,1,0]=4 2375 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [1,1,0,0,0,0|1,1,0]=4 2376 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [1,1,0,0,0,0|1,1,0]=4 2377 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [1,1,0,0,0,0|1,1,0]=4 2378 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [1,1,0,0,0,0|1,1,0]=4 2379 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [1,1,0,0,0,0|1,1,0]=4 2380 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [1,1,0,0,0,0|1,1,0]=4 2381 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [1,1,0,0,0,0|1,1,0]=4 2382 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [1,1,0,0,0,0|1,1,0]=4 2383 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2385 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [1,1,0,0,0,0|1,1,0]=4 2386 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [1,1,0,0,0,0|1,1,0]=4 2387 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [1,1,0,0,0,0|1,0,1]=4 2388 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [1,1,0,0,0,0|1,0,1]=4 2389 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [1,1,0,0,0,0|2,0,0]=4 2390 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [1,1,0,0,0,0|1,0,1]=4 2391 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [1,1,0,0,0,0|1,0,1]=4 2392 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [1,1,0,0,0,0|1,0,1]=4 2393 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [1,1,0,0,0,0|1,0,1]=4 2394 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [1,1,0,0,0,0|1,0,0]=3 2395 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [1,1,0,0,0,0|1,0,0]=3 2396 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [1,1,0,0,0,0|1,0,1]=4 2397 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [1,1,0,0,0,0|1,0,1]=4 2398 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [1,1,0,0,0,0|1,0,1]=4 2399 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [1,1,0,0,0,0|1,0,1]=4 2400 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [1,1,0,0,0,0|1,1,0]=4 2401 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [1,1,0,0,0,0|1,1,0]=4 2402 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [1,1,0,0,0,0|1,1,0]=4 2403 B12R1.453 C=C(C)c1cc(ccc1Br)OC 271570a_100000694244_100009992028 [1,1,0,0,0,0|2,0,0]=4 2404 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [1,1,0,0,0,0|2,0,0]=4 2405 B12R1.453 C=C(C)c1cc(ccc1Cl)OC 271570a_100000694244_100011356938 [1,1,0,0,0,0|2,0,0]=4 2406 B12R1.453 C=C(C)c1cc(ccc1F)OC 271570a_100000694244_100000699733 [1,1,0,0,0,0|2,0,0]=4 2407 B12R1.453 C=C(C)c1cc(ccc1N)OC 271570a_100000694244_100015195136 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [1,1,0,0,0,0|2,0,0]=4 2409 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [1,1,0,0,0,0|1,1,0]=4 2410 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [1,1,0,0,0,0|1,0,0]=3 2411 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [1,1,0,0,0,0|1,0,0]=3 2412 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [1,1,0,0,0,0|1,1,0]=4 2413 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [1,1,0,0,0,0|1,0,0]=3 2414 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [1,1,0,0,0,0|1,0,0]=3 2415 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [1,1,0,0,0,0|1,1,0]=4 2416 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [1,1,0,0,0,0|1,1,0]=4 2417 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [1,1,0,0,0,0|1,1,0]=4 2418 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2419 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [1,1,0,0,0,0|2,0,0]=4 2421 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [1,1,0,0,0,0|2,0,0]=4 2422 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2423 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2424 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [1,1,0,0,0,0|2,0,0]=4 2425 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [1,1,0,0,0,0|2,0,0]=4 2426 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [1,1,0,0,0,0|2,0,0]=4 2427 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [1,1,0,0,0,0|2,0,0]=4 2428 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [1,1,0,0,0,0|1,0,1]=4 2429 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [1,1,0,0,0,0|1,0,0]=3 2430 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [1,1,0,0,0,0|1,0,0]=3 2431 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [1,1,0,0,0,0|1,0,0]=3 2432 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [1,1,0,0,0,0|1,0,0]=3 2433 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [1,1,0,0,0,0|1,0,0]=3 2434 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [1,1,0,0,0,0|1,0,0]=3 2435 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [1,1,0,0,0,0|1,0,0]=3 2436 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [1,1,0,0,0,0|1,0,0]=3 2437 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [1,1,0,0,0,0|1,0,0]=3 2438 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [1,1,0,0,0,0|1,0,0]=3 2439 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [1,1,0,0,0,0|1,0,0]=3 2440 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [1,1,0,0,0,0|1,0,0]=3 2441 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [1,1,0,0,0,0|1,0,0]=3 2442 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [1,1,0,0,0,0|1,0,0]=3 2443 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [1,1,0,0,0,0|1,0,0]=3 2444 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [1,1,0,0,0,0|1,0,0]=3 2445 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [1,1,0,0,0,0|1,0,0]=3 2446 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [1,1,0,0,0,0|1,0,0]=3 2447 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [1,1,0,0,0,0|1,0,1]=4 2448 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [1,1,0,0,0,0|1,0,1]=4 2449 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [1,1,0,0,0,0|1,0,1]=4 2450 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [1,1,0,0,0,0|1,0,1]=4 2451 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2453 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [1,1,0,0,0,0|1,0,1]=4 2454 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [1,1,0,0,0,0|1,0,1]=4 2455 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [1,1,0,0,0,0|1,0,1]=4 2457 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [1,1,0,0,0,0|1,0,1]=4 2458 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [1,1,0,0,0,0|1,1,0]=4 2459 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [1,1,0,0,0,0|1,1,0]=4 2460 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [1,1,0,0,0,0|1,1,0]=4 2461 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [1,1,0,0,0,0|1,1,0]=4 2462 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [1,1,0,0,0,0|1,1,0]=4 2463 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [1,1,0,0,0,0|1,1,0]=4 2464 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [1,1,0,0,0,0|1,1,0]=4 2465 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [1,1,0,0,0,0|1,1,0]=4 2466 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [1,1,0,0,0,0|1,1,0]=4 2467 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [1,1,0,0,0,0|1,1,0]=4 2468 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [1,1,0,0,0,0|1,1,0]=4 2469 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [1,1,0,0,0,0|1,1,0]=4 2470 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [1,1,0,0,0,0|1,1,0]=4 2471 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [1,1,0,0,0,0|1,1,0]=4 2472 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [1,1,0,0,0,0|1,1,0]=4 2475 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [1,1,0,0,0,0|1,1,0]=4 2476 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [1,1,0,0,0,0|1,0,1]=4 2477 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [1,1,0,0,0,0|1,0,1]=4 2478 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2487 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2488 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [1,1,0,0,0,0|1,0,1]=4 2489 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [1,1,0,0,0,0|1,0,1]=4 2490 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [1,1,0,0,0,0|1,0,1]=4 2491 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [1,1,0,0,0,0|1,0,1]=4 2492 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [1,1,0,0,0,0|1,0,1]=4 2493 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [1,1,0,0,0,0|1,1,0]=4 2494 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [1,1,0,0,0,0|1,1,0]=4 2495 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [1,1,0,0,0,0|1,1,0]=4 2496 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [1,1,0,0,0,0|2,0,0]=4 2497 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [1,1,0,0,0,0|1,0,1]=4 2498 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [1,1,0,0,0,0|2,0,0]=4 2499 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [1,1,0,0,0,0|2,0,0]=4 2500 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [1,1,0,0,0,0|1,0,1]=4 2501 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [1,1,0,0,0,0|1,0,0]=3 2503 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [1,1,0,0,0,0|1,0,0]=3 2504 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [1,1,0,0,0,0|1,0,0]=3 2505 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [1,1,0,0,0,0|1,0,0]=3 2506 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [1,1,0,0,0,0|1,1,0]=4 2507 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [1,1,0,0,0,0|1,1,0]=4 2508 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [1,1,0,0,0,0|2,0,0]=4 2509 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [1,1,0,0,0,0|2,0,0]=4 2510 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [1,1,0,0,0,0|1,0,0]=3 2511 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [1,1,0,0,0,0|1,0,1]=4 2512 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [1,1,0,0,0,0|2,0,0]=4 2513 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [1,1,0,0,0,0|2,0,0]=4 2514 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [1,1,0,0,0,0|1,0,1]=4 2515 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [1,1,0,0,0,0|1,0,1]=4 2516 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [1,1,0,0,0,0|1,0,1]=4 2517 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [1,1,0,0,0,0|1,0,1]=4 2518 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [1,1,0,0,0,0|1,0,1]=4 2519 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [1,1,0,0,0,0|1,0,1]=4 2520 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [1,1,0,0,0,0|1,0,1]=4 2521 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [1,1,0,0,0,0|1,0,1]=4 2522 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [1,1,0,0,0,0|1,0,1]=4 2523 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [1,1,0,0,0,0|1,0,1]=4 2524 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [1,1,0,0,0,0|1,0,1]=4 2527 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [1,1,0,0,0,0|1,0,1]=4 2528 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [1,1,0,0,0,0|1,1,0]=4 2529 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [1,1,0,0,0,0|1,1,0]=4 2530 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [1,1,0,0,0,0|1,1,0]=4 2531 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [1,1,0,0,0,0|1,1,0]=4 2532 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [1,1,0,0,0,0|0,0,1]=3 2533 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [1,1,0,0,0,0|2,0,0]=4 2537 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [1,1,0,0,0,0|2,0,0]=4 2538 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [1,1,0,0,0,0|2,0,0]=4 2539 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [1,1,0,0,0,0|1,0,1]=4 2540 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [1,1,0,0,0,0|1,0,1]=4 2541 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 2542 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 2543 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [1,1,0,0,0,0|1,0,1]=4 2544 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [1,1,0,0,0,0|0,1,0]=3 2545 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [1,1,0,0,0,0|0,1,0]=3 2546 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [1,1,0,0,0,0|0,1,1]=4 2547 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [1,1,0,0,0,0|0,1,1]=4 2548 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [1,1,0,0,0,0|0,1,0]=3 2549 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [1,1,0,0,0,0|0,1,0]=3 2550 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [1,1,0,0,0,0|0,1,1]=4 2551 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [1,1,0,0,0,0|0,1,1]=4 2552 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [1,1,0,0,0,0|2,0,0]=4 2553 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [1,1,0,0,0,0|2,0,0]=4 2554 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [1,1,0,0,0,0|2,0,0]=4 2555 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [1,1,0,0,0,0|2,0,0]=4 2556 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [1,1,0,0,0,0|2,0,0]=4 2557 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [1,1,0,0,0,0|2,0,0]=4 2558 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [1,1,0,0,0,0|1,0,1]=4 2559 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [1,1,0,0,0,0|1,0,1]=4 2560 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 2561 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 2562 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 2563 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 2564 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [1,1,0,0,0,0|1,0,1]=4 2565 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 2566 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [1,1,0,0,0,0|0,0,1]=3 2567 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2568 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [1,1,0,0,0,0|2,0,0]=4 2569 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [1,1,0,0,0,0|2,0,0]=4 2570 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [1,1,0,0,0,0|2,0,0]=4 2571 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 2572 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 2573 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 2574 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [1,1,0,0,0,0|0,0,1]=3 2575 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [1,1,0,0,0,0|0,1,0]=3 2576 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [1,1,0,0,0,0|0,1,0]=3 2577 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [1,1,0,0,0,0|0,1,1]=4 2578 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [1,1,0,0,0,0|0,1,1]=4 2579 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [1,1,0,0,0,0|0,1,0]=3 2580 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [1,1,0,0,0,0|0,1,0]=3 2581 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [1,1,0,0,0,0|0,1,1]=4 2582 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [1,1,0,0,0,0|0,1,1]=4 2583 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [1,1,0,0,0,0|1,1,0]=4 2584 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [1,1,0,0,0,0|1,1,0]=4 2585 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [1,1,0,0,0,0|1,1,0]=4 2586 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [1,1,0,0,0,0|1,1,0]=4 2587 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [1,1,0,0,0,0|1,1,0]=4 2588 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [1,1,0,0,0,0|1,1,0]=4 2589 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [1,1,0,0,0,0|1,1,0]=4 2590 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [1,1,0,0,0,0|1,1,0]=4 2591 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [1,1,0,0,0,0|1,1,0]=4 2592 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [1,1,0,0,0,0|1,1,0]=4 2593 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [1,1,0,0,0,0|1,1,0]=4 2594 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [1,1,0,0,0,0|1,1,0]=4 2595 B12R1.78 CSc1cc(ccc1C#N)C=O 62a_200000210301_100012355660 [1,1,0,0,0,0|1,1,0]=4 2596 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [1,1,0,0,0,0|0,1,1]=4 2597 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [1,1,0,0,0,0|0,1,1]=4 2598 B12R1.78 CSc1cc(ccc1CO)CO 62a_100010881536_200000210301 [1,1,0,0,0,0|0,1,1]=4 2599 B12R1.78 CSc1cc(ccc1CO)CO 62a_200000210301_100010881536 [1,1,0,0,0,0|0,1,1]=4 2600 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [1,1,0,0,0,0|0,0,1]=3 2601 B12R1.78 [13CH3]Sc1cc(ccc1C#N)C=O 62a_200025704644_100012355660 [1,1,0,0,0,0|1,1,0]=4 2602 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [1,1,0,0,0,0|0,1,1]=4 2603 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [1,1,0,0,0,0|0,1,1]=4 2604 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_100010881536_200025704644 [1,1,0,0,0,0|0,1,1]=4 2605 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_200025704644_100010881536 [1,1,0,0,0,0|0,1,1]=4 2606 B12R1.270 C=C=Cc1cc(ccc1O)C=O 271570a_100015277604_100000184552 [1,1,0,0,0,0|1,0,1]=4 2607 B12R1.270 C=Cc1ccc(c(c1)CNC)O 271570a_100011290941_100011602694 [1,1,0,0,0,0|2,0,0]=4 2608 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [1,1,0,0,0,0|2,0,0]=4 2609 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [1,1,0,0,0,0|2,0,0]=4 2610 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [1,1,0,0,0,0|2,0,0]=4 2611 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [1,1,0,0,0,0|2,0,0]=4 2613 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [1,1,0,0,0,0|2,0,0]=4 2614 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [1,1,0,0,0,0|2,0,0]=4 2615 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [1,1,0,0,0,0|2,0,0]=4 2616 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [1,1,0,0,0,0|2,0,0]=4 2617 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [1,1,0,0,0,0|1,0,1]=4 2619 B12R1.270 CC=Cc1cc(cnc1O)C=O 271570a_100016259895_100010064886 [1,1,0,0,0,0|2,0,0]=4 2620 B12R1.270 CCNc1cc(ccc1O)CO 34a_100000123545_100000210202 [1,1,0,0,0,0|1,0,1]=4 2621 B12R1.270 CCOc1cc(ccc1Br)CO 34a_100010191536_100000210202 [1,1,0,0,0,0|1,0,1]=4 2622 B12R1.270 CCOc1cc(ccc1Br)CO 7a_100010191536_100000210202 [1,1,0,0,0,0|1,0,1]=4 2623 B12R1.270 CCOc1cc(ccc1Cl)CO 34a_100009876509_100000210202 [1,1,0,0,0,0|1,0,1]=4 2624 B12R1.270 CCOc1cc(ccc1Cl)CO 7a_100009876509_100000210202 [1,1,0,0,0,0|1,0,1]=4 2625 B12R1.270 CCOc1cc(ccc1F)CO 34a_100009842347_100000210202 [1,1,0,0,0,0|1,0,1]=4 2626 B12R1.270 CCOc1cc(ccc1F)CO 7a_100009842347_100000210202 [1,1,0,0,0,0|1,0,1]=4 2627 B12R1.270 CCOc1cc(ccc1I)CO 34a_100000049605_100000210202 [1,1,0,0,0,0|1,0,1]=4 2628 B12R1.270 CCOc1cc(ccc1I)CO 7a_100000049605_100000210202 [1,1,0,0,0,0|1,0,1]=4 2629 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [1,1,0,0,0,0|0,0,0]=2 2630 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100000210202_100010146563 [1,1,0,0,0,0|1,1,0]=4 2631 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210202 [1,1,0,0,0,0|1,1,0]=4 2632 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000210202_100000695567 [1,1,0,0,0,0|1,1,0]=4 2633 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000695567_100000210202 [1,1,0,0,0,0|1,1,0]=4 2634 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100000210202_100010209939 [1,1,0,0,0,0|1,1,0]=4 2635 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210202 [1,1,0,0,0,0|1,1,0]=4 2636 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000210202_100000211747 [1,1,0,0,0,0|1,1,0]=4 2637 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000211747_100000210202 [1,1,0,0,0,0|1,1,0]=4 2638 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [1,1,0,0,0,0|0,1,0]=3 2639 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [1,1,0,0,0,0|0,1,0]=3 2640 B12R1.270 CCSc1cc(ccc1O)CO 62a_100000210202_100011191544 [1,1,0,0,0,0|0,1,1]=4 2641 B12R1.270 CCSc1cc(ccc1O)CO 62a_100011191544_100000210202 [1,1,0,0,0,0|0,1,1]=4 2642 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100000210202_100010064886 [1,1,0,0,0,0|1,1,0]=4 2643 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100010064886_100000210202 [1,1,0,0,0,0|1,1,0]=4 2644 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100000695567_100015361967 [1,1,0,0,0,0|1,1,0]=4 2645 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100015361967_100000695567 [1,1,0,0,0,0|1,1,0]=4 2646 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100010146563_100015361967 [1,1,0,0,0,0|1,1,0]=4 2647 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100015361967_100010146563 [1,1,0,0,0,0|1,1,0]=4 2648 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100010209939_100015361967 [1,1,0,0,0,0|1,1,0]=4 2649 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100010209939 [1,1,0,0,0,0|1,1,0]=4 2650 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100000211747_100015361967 [1,1,0,0,0,0|1,1,0]=4 2651 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100015361967_100000211747 [1,1,0,0,0,0|1,1,0]=4 2652 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [1,1,0,0,0,0|0,1,0]=3 2653 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [1,1,0,0,0,0|0,1,0]=3 2654 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100010064886_100015361967 [1,1,0,0,0,0|1,1,0]=4 2655 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100015361967_100010064886 [1,1,0,0,0,0|1,1,0]=4 2656 B12R1.270 OCc1ccc(c(c1)NCF)O 34a_100000123545_100015361967 [1,1,0,0,0,0|1,0,1]=4 2657 B12R1.270 OCc1ccc(c(c1)OCF)Br 34a_100010191536_100015361967 [1,1,0,0,0,0|1,0,1]=4 2658 B12R1.270 OCc1ccc(c(c1)OCF)Br 7a_100010191536_100015361967 [1,1,0,0,0,0|1,0,1]=4 2659 B12R1.270 OCc1ccc(c(c1)OCF)Cl 34a_100009876509_100015361967 [1,1,0,0,0,0|1,0,1]=4 2660 B12R1.270 OCc1ccc(c(c1)OCF)Cl 7a_100009876509_100015361967 [1,1,0,0,0,0|1,0,1]=4 2661 B12R1.270 OCc1ccc(c(c1)OCF)F 34a_100009842347_100015361967 [1,1,0,0,0,0|1,0,1]=4 2662 B12R1.270 OCc1ccc(c(c1)OCF)F 7a_100009842347_100015361967 [1,1,0,0,0,0|1,0,1]=4 2663 B12R1.270 OCc1ccc(c(c1)OCF)I 34a_100000049605_100015361967 [1,1,0,0,0,0|1,0,1]=4 2664 B12R1.270 OCc1ccc(c(c1)OCF)I 7a_100000049605_100015361967 [1,1,0,0,0,0|1,0,1]=4 2665 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100011191544_100015361967 [1,1,0,0,0,0|0,1,1]=4 2666 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100015361967_100011191544 [1,1,0,0,0,0|0,1,1]=4 2667 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [1,1,0,0,0,0|2,0,0]=4 2668 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [1,1,0,0,0,0|2,0,0]=4 2669 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [1,1,0,0,0,0|2,0,0]=4 2670 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [1,1,0,0,0,0|2,0,0]=4 2671 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [1,1,0,0,0,0|2,0,0]=4 2672 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [1,1,0,0,0,0|2,0,0]=4 2673 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [1,1,0,0,0,0|1,0,0]=3 2674 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [1,1,0,0,0,0|2,0,0]=4 2678 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [1,1,0,0,0,0|2,0,0]=4 2681 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [1,1,0,0,0,0|1,0,0]=3 2682 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [1,1,0,0,0,0|1,0,1]=4 2684 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [1,1,0,0,0,0|1,0,1]=4 2685 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [1,1,0,0,0,0|1,0,1]=4 2686 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [1,1,0,0,0,0|1,0,1]=4 2687 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [1,1,0,0,0,0|1,0,1]=4 2688 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [1,1,0,0,0,0|1,0,1]=4 2689 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2690 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2691 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [1,1,0,0,0,0|1,0,1]=4 2692 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [1,1,0,0,0,0|1,0,1]=4 2693 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [1,1,0,0,0,0|1,0,1]=4 2694 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [1,1,0,0,0,0|1,0,1]=4 2695 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [1,1,0,0,0,0|1,0,1]=4 2696 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [1,1,0,0,0,0|1,0,1]=4 2697 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [1,1,0,0,0,0|1,0,1]=4 2698 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [1,1,0,0,0,0|1,0,1]=4 2699 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2700 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2701 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [1,1,0,0,0,0|1,0,1]=4 2702 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [1,1,0,0,0,0|1,0,1]=4 2703 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [1,1,0,0,0,0|1,0,1]=4 2704 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [1,1,0,0,0,0|1,0,1]=4 2705 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [1,1,0,0,0,0|1,0,1]=4 2706 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [1,1,0,0,0,0|1,0,1]=4 2707 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [1,1,0,0,0,0|1,0,1]=4 2708 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [1,1,0,0,0,0|1,0,1]=4 2709 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [1,1,0,0,0,0|2,0,0]=4 2711 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [1,1,0,0,0,0|2,0,0]=4 2713 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [1,1,0,0,0,0|2,0,0]=4 2714 B12R1.300 C=Cc1cc(cc(c1O)F)C=O 271570a_100011290941_100010295671 [1,1,0,0,0,0|1,0,1]=4 2715 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [1,1,0,0,0,0|2,0,0]=4 2716 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [1,1,0,0,0,0|1,0,1]=4 2717 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [1,1,0,0,0,0|0,0,0]=2 2718 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [1,1,0,0,0,0|0,0,1]=3 2719 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [1,1,0,0,0,0|2,0,0]=4 2720 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [1,1,0,0,0,0|2,0,0]=4 2721 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_100010132949_200000210301 [1,1,0,0,0,0|1,1,0]=4 2722 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_200000210301_100010132949 [1,1,0,0,0,0|1,1,0]=4 2723 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_100010270029_200000210301 [1,1,0,0,0,0|1,1,0]=4 2724 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_200000210301_100010270029 [1,1,0,0,0,0|1,1,0]=4 2725 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200000210301_200010341283 [1,1,0,0,0,0|1,1,0]=4 2726 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200010341283_200000210301 [1,1,0,0,0,0|1,1,0]=4 2727 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [1,1,0,0,0,0|0,1,0]=3 2728 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [1,1,0,0,0,0|0,1,0]=3 2729 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [1,1,0,0,0,0|0,1,0]=3 2730 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_100010132949_200025704644 [1,1,0,0,0,0|1,1,0]=4 2731 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_200025704644_100010132949 [1,1,0,0,0,0|1,1,0]=4 2732 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_100010270029_200025704644 [1,1,0,0,0,0|1,1,0]=4 2733 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_200025704644_100010270029 [1,1,0,0,0,0|1,1,0]=4 2734 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200010341283_200025704644 [1,1,0,0,0,0|1,1,0]=4 2735 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200025704644_200010341283 [1,1,0,0,0,0|1,1,0]=4 2736 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [1,1,0,0,0,0|0,1,0]=3 2737 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [1,1,0,0,0,0|0,1,0]=3 2738 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [1,1,0,0,0,0|0,1,0]=3 2739 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [1,1,0,0,0,0|2,0,0]=4 2740 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [1,1,0,0,0,0|2,0,0]=4 2743 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [1,1,0,0,0,0|2,0,0]=4 2744 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [1,1,0,0,0,0|2,0,0]=4 2745 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [1,1,0,0,0,0|1,0,0]=3 2746 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [1,1,0,0,0,0|2,0,0]=4 2747 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [1,1,0,0,0,0|1,0,1]=4 2749 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [1,1,0,0,0,0|1,0,0]=3 2750 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [1,1,0,0,0,0|0,0,0]=2 2751 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [1,1,0,0,0,0|0,0,0]=2 2755 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [1,1,0,0,0,0|0,0,0]=2 2756 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_100010138641_200000210301 [1,1,0,0,0,0|1,1,0]=4 2757 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_200000210301_100010138641 [1,1,0,0,0,0|1,1,0]=4 2758 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_100009814802_200000210301 [1,1,0,0,0,0|1,1,0]=4 2759 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_200000210301_100009814802 [1,1,0,0,0,0|1,1,0]=4 2760 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200000210301_200010571964 [1,1,0,0,0,0|1,1,0]=4 2761 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200010571964_200000210301 [1,1,0,0,0,0|1,1,0]=4 2762 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_100010175118_200000210301 [1,1,0,0,0,0|1,1,0]=4 2763 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_200000210301_100010175118 [1,1,0,0,0,0|1,1,0]=4 2764 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [1,1,0,0,0,0|0,1,0]=3 2765 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_100010138641_200025704644 [1,1,0,0,0,0|1,1,0]=4 2766 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010138641 [1,1,0,0,0,0|1,1,0]=4 2767 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_100009814802_200025704644 [1,1,0,0,0,0|1,1,0]=4 2768 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_200025704644_100009814802 [1,1,0,0,0,0|1,1,0]=4 2769 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200010571964_200025704644 [1,1,0,0,0,0|1,1,0]=4 2770 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200025704644_200010571964 [1,1,0,0,0,0|1,1,0]=4 2771 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_100010175118_200025704644 [1,1,0,0,0,0|1,1,0]=4 2772 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_200025704644_100010175118 [1,1,0,0,0,0|1,1,0]=4 2773 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [1,1,0,0,0,0|0,1,0]=3 2774 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [1,1,0,0,0,0|2,0,0]=4 2775 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [1,1,0,0,0,0|2,0,0]=4 2776 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [1,1,0,0,0,0|1,0,1]=4 2777 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [1,1,0,0,0,0|0,0,0]=2 2778 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [1,1,0,0,0,0|2,0,0]=4 2779 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [1,1,0,0,0,0|2,0,0]=4 2780 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_100010381662_200000210301 [1,1,0,0,0,0|1,1,0]=4 2781 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_200000210301_100010381662 [1,1,0,0,0,0|1,1,0]=4 2782 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_100000050342_200000210301 [1,1,0,0,0,0|1,1,0]=4 2783 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_200000210301_100000050342 [1,1,0,0,0,0|1,1,0]=4 2784 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_100010381662_200025704644 [1,1,0,0,0,0|1,1,0]=4 2785 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_200025704644_100010381662 [1,1,0,0,0,0|1,1,0]=4 2786 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_100000050342_200025704644 [1,1,0,0,0,0|1,1,0]=4 2787 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_200025704644_100000050342 [1,1,0,0,0,0|1,1,0]=4 2788 B12R1.63 COC(=O)c1cc(c(s1)OC)O 271570a_203496583355_100134754287 [0,1,0,0,1,0|1,0,0]=3 2789 B12R1.743 COC(=O)c1csc(c1OC)O 271570a_203496583355_100010277438 [0,1,0,0,1,0|1,0,0]=3 2790 B12R1.743 COC(=O)c1scc(c1OC)Br 34a_100009812821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2791 B12R1.743 COC(=O)c1scc(c1OC)Cl 34a_200009884760_200000210301 [0,1,0,0,1,0|2,0,0]=4 2792 B12R1.743 COC(=O)c1scc(c1OC)Cl 7a_200009884760_200000210301 [0,1,0,0,1,0|2,0,0]=4 2793 B12R1.743 COC(=O)c1scc(c1OC)O 271570a_203496583355_200009814288 [0,1,0,0,1,0|1,0,0]=3 2794 B12R1.743 COC(=O)c1scc(c1O[13CH3])Br 34a_100009812821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2795 B12R1.743 COC(=O)c1scc(c1O[13CH3])Cl 34a_200009884760_200025704644 [0,1,0,0,1,0|2,0,0]=4 2796 B12R1.743 COC(=O)c1scc(c1O[13CH3])Cl 7a_200009884760_200025704644 [0,1,0,0,1,0|2,0,0]=4 2797 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 11a_200012002703_100015343762 [0,1,0,0,0,1|2,0,0]=4 2798 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 1626a_200012002703_100015343762 [0,1,0,0,0,1|2,0,0]=4 2799 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 22a_200012002703_100000070787 [0,1,0,0,0,1|2,0,0]=4 2800 B14R1.41 COc1cc(ccc1F)N(C)C(=O)C 527a_200012002703_100103153847 [0,1,0,0,0,1|2,0,0]=4 2801 B14R1.41 COc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100000694246 [0,1,0,0,0,1|2,0,0]=4 2802 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,1,0,0,0,1|1,0,0]=3 2803 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,1,0,0,0,1|1,0,0]=3 2804 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 11a_100010131419_100015343762 [0,1,0,0,0,1|2,0,0]=4 2805 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 1626a_100010131419_100015343762 [0,1,0,0,0,1|2,0,0]=4 2806 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 22a_100010131419_100000070787 [0,1,0,0,0,1|2,0,0]=4 2807 B14R1.343 COc1cc(cc(c1Cl)Br)NC(=O)C 527a_100010131419_100103153847 [0,1,0,0,0,1|2,0,0]=4 2808 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [0,1,0,0,0,1|1,0,0]=3 2809 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [0,1,0,0,0,1|1,0,0]=3 2810 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100010141077_100015361967 [0,1,0,0,0,1|1,1,0]=4 2811 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100015361967_100010141077 [0,1,0,0,0,1|1,1,0]=4 2812 B14R1.439 CC(=O)Nc1ccc(c(c1)OCF)Cl 34a_100011935283_100015361967 [0,1,0,0,0,1|2,0,0]=4 2813 B14R1.439 CC(=O)Nc1ccc(c(c1)OCF)Cl 7a_100011935283_100015361967 [0,1,0,0,0,1|2,0,0]=4 2814 B14R1.439 CC=Cc1cc(ccc1O)CC(=O)C 271570a_100016259895_100010141077 [0,1,0,0,0,1|2,0,0]=4 2815 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 11a_200016990551_100015343762 [0,1,0,0,0,1|2,0,0]=4 2816 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 1626a_200016990551_100015343762 [0,1,0,0,0,1|2,0,0]=4 2817 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 22a_200016990551_100000070787 [0,1,0,0,0,1|2,0,0]=4 2818 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 527a_200016990551_100103153847 [0,1,0,0,0,1|2,0,0]=4 2819 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 11a_100011964961_100015343762 [0,1,0,0,0,1|2,0,0]=4 2820 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 1626a_100011964961_100015343762 [0,1,0,0,0,1|2,0,0]=4 2821 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 22a_100011964961_100000070787 [0,1,0,0,0,1|2,0,0]=4 2822 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 34a_100011935283_100000210202 [0,1,0,0,0,1|2,0,0]=4 2823 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 527a_100011964961_100103153847 [0,1,0,0,0,1|2,0,0]=4 2824 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 7a_100011935283_100000210202 [0,1,0,0,0,1|2,0,0]=4 2825 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [0,1,0,0,0,1|1,0,0]=3 2826 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [0,1,0,0,0,1|1,0,0]=3 2827 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100000210202_100010141077 [0,1,0,0,0,1|1,1,0]=4 2828 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100010141077_100000210202 [0,1,0,0,0,1|1,1,0]=4 2829 B14R1.705 C=C(C)c1cc(ccc1O)CC(=O)C 271570a_100000694244_100010141077 [0,1,0,0,0,1|2,0,0]=4 2830 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)C)O 1458a_100000743812_200000210301 [0,1,0,0,0,1|2,0,0]=4 2831 B14R1.705 CC(=O)Nc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000743812_200025704644 [0,1,0,0,0,1|2,0,0]=4 2832 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)O[13CH3] 34a_200000039401_200025704644 [0,1,0,0,0,1|2,0,0]=4 2833 B14R1.881 CC(=O)Nc1cc(c(cc1Cl)Cl)O[13CH3] 7a_200000039401_200025704644 [0,1,0,0,0,1|2,0,0]=4 2834 B14R1.881 COc1cc(c(cc1Br)Br)NC(=O)C 11a_100000718616_100015343762 [0,1,0,0,0,1|2,0,0]=4 2835 B14R1.881 COc1cc(c(cc1Br)Br)NC(=O)C 1626a_100000718616_100015343762 [0,1,0,0,0,1|2,0,0]=4 2836 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 11a_100010232211_100015343762 [0,1,0,0,0,1|2,0,0]=4 2837 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 1626a_100010232211_100015343762 [0,1,0,0,0,1|2,0,0]=4 2838 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 22a_100010232211_100000070787 [0,1,0,0,0,1|2,0,0]=4 2839 B14R1.881 COc1cc(c(cc1Br)C)NC(=O)C 527a_100010232211_100103153847 [0,1,0,0,0,1|2,0,0]=4 2840 B14R1.881 COc1cc(c(cc1Br)Cl)NC(=O)C 11a_100012361290_100015343762 [0,1,0,0,0,1|2,0,0]=4 2841 B14R1.881 COc1cc(c(cc1Br)Cl)NC(=O)C 1626a_100012361290_100015343762 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.881 COc1cc(c(cc1C)Br)NC(=O)C 11a_100010244135_100015343762 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.881 COc1cc(c(cc1C)Br)NC(=O)C 1626a_100010244135_100015343762 [0,1,0,0,0,1|2,0,0]=4 2844 B14R1.881 COc1cc(c(cc1Cl)Br)NC(=O)C 11a_100013022580_100015343762 [0,1,0,0,0,1|2,0,0]=4 2845 B14R1.881 COc1cc(c(cc1Cl)Br)NC(=O)C 1626a_100013022580_100015343762 [0,1,0,0,0,1|2,0,0]=4 2846 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 11a_100009858536_100015343762 [0,1,0,0,0,1|2,0,0]=4 2847 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 1626a_100009858536_100015343762 [0,1,0,0,0,1|2,0,0]=4 2848 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 22a_100009858536_100000070787 [0,1,0,0,0,1|2,0,0]=4 2849 B14R1.881 COc1cc(c(cc1Cl)C)NC(=O)C 527a_100009858536_100103153847 [0,1,0,0,0,1|2,0,0]=4 2850 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 11a_100011830341_100015343762 [0,1,0,0,0,1|2,0,0]=4 2851 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 1626a_100011830341_100015343762 [0,1,0,0,0,1|2,0,0]=4 2852 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 22a_100011830341_100000070787 [0,1,0,0,0,1|2,0,0]=4 2853 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 34a_200000039401_200000210301 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.881 COc1cc(c(cc1Cl)Cl)NC(=O)C 7a_200000039401_200000210301 [0,1,0,0,0,1|2,0,0]=4 2855 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 11a_100009872666_100015343762 [0,1,0,0,0,1|2,0,0]=4 2856 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 1626a_100009872666_100015343762 [0,1,0,0,0,1|2,0,0]=4 2857 B14R1.881 COc1cc(c(cc1Cl)F)NC(=O)C 22a_100009872666_100000070787 [0,1,0,0,0,1|2,0,0]=4 2858 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C 11a_100010208193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2859 B14R1.881 COc1cc(c(cc1F)Br)NC(=O)C 1626a_100010208193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2860 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 11a_100009958774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2861 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 1626a_100009958774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2862 B14R1.881 COc1cc(c(cc1F)Cl)NC(=O)C 22a_100009958774_100000070787 [0,1,0,0,0,1|2,0,0]=4 2863 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [0,1,0,0,0,1|1,0,0]=3 2864 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [0,1,0,0,0,1|1,0,0]=3 2865 B14R1.881 COc1cc(c(cc1O)F)C=C(C)C 271570a_100102525489_100010189133 [0,1,0,0,0,1|2,0,0]=4 2866 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000211873_100010110085 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000211873_200010214485 [0,1,0,0,0,1|2,0,0]=4 2868 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000211873_100012349856 [0,1,0,0,0,1|2,0,0]=4 2869 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000185746_100010110085 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000185746_200010214485 [0,1,0,0,0,1|2,0,0]=4 2871 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000185746_100012349856 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000185746 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000185746 [0,1,0,0,0,1|2,0,0]=4 2874 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000185746 [0,1,0,0,0,1|2,0,0]=4 2875 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000185746 [0,1,0,0,0,1|2,0,0]=4 2876 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000185746 [0,1,0,0,0,1|2,0,0]=4 2877 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000185746 [0,1,0,0,0,1|2,0,0]=4 2878 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000185746 [0,1,0,0,0,1|2,0,0]=4 2879 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000185746 [0,1,0,0,0,1|2,0,0]=4 2880 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000185746 [0,1,0,0,0,1|2,0,0]=4 2881 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000185746 [0,1,0,0,0,1|2,0,0]=4 2882 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [0,1,0,0,0,1|1,0,0]=3 2883 B14R1.3405 C=Cc1cc(ccc1O)CC(=O)OC 271570a_100011290941_100010222482 [0,1,0,0,0,1|1,0,1]=4 2884 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210414_100010110085 [0,1,0,0,0,1|2,0,0]=4 2885 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210202 [0,1,0,0,0,1|2,0,0]=4 2886 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210414_200010214485 [0,1,0,0,0,1|2,0,0]=4 2887 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210202 [0,1,0,0,0,1|2,0,0]=4 2888 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210414_100012349856 [0,1,0,0,0,1|2,0,0]=4 2889 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210202 [0,1,0,0,0,1|1,0,0]=3 2890 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210414 [0,1,0,0,0,1|2,0,0]=4 2891 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210414 [0,1,0,0,0,1|2,0,0]=4 2892 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210414 [0,1,0,0,0,1|2,0,0]=4 2893 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000210414 [0,1,0,0,0,1|2,0,0]=4 2894 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210414 [0,1,0,0,0,1|2,0,0]=4 2895 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210414 [0,1,0,0,0,1|2,0,0]=4 2896 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210414 [0,1,0,0,0,1|2,0,0]=4 2897 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000210414 [0,1,0,0,0,1|2,0,0]=4 2898 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210414 [0,1,0,0,0,1|2,0,0]=4 2899 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210414 [0,1,0,0,0,1|2,0,0]=4 2900 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210414 [0,1,0,0,0,1|2,0,0]=4 2901 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000210414 [0,1,0,0,0,1|2,0,0]=4 2902 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210414 [0,1,0,0,0,1|2,0,0]=4 2903 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210414 [0,1,0,0,0,1|2,0,0]=4 2904 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210414 [0,1,0,0,0,1|2,0,0]=4 2905 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000210414 [0,1,0,0,0,1|2,0,0]=4 2906 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210414 [0,1,0,0,0,1|2,0,0]=4 2907 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210414 [0,1,0,0,0,1|2,0,0]=4 2908 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210414 [0,1,0,0,0,1|2,0,0]=4 2909 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000210414 [0,1,0,0,0,1|2,0,0]=4 2910 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210414 [0,1,0,0,0,1|1,0,0]=3 2911 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210414 [0,1,0,0,0,1|1,0,0]=3 2912 B14R1.3405 CCc1cc(ccc1Br)NC(=O)CO 22a_100010109747_100000210174 [0,1,0,0,0,1|2,0,0]=4 2913 B14R1.3405 CCc1cc(ccc1Br)NC(=O)CO 527a_100010109747_100000210174 [0,1,0,0,0,1|2,0,0]=4 2914 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 11a_106832991635_200010002685 [0,1,0,0,0,1|2,0,0]=4 2915 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 240690a_100102657272_200010002685 [0,1,0,0,0,1|2,0,0]=4 2916 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 527a_100102657272_200010002685 [0,1,0,0,0,1|2,0,0]=4 2917 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 11a_106832991635_100000117344 [0,1,0,0,0,1|2,0,0]=4 2918 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 1626a_100102657272_100000117344 [0,1,0,0,0,1|2,0,0]=4 2919 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 240690a_100102657272_100000117344 [0,1,0,0,0,1|2,0,0]=4 2920 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 527a_100102657272_100000117344 [0,1,0,0,0,1|2,0,0]=4 2921 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100102657272_100000032101 [0,1,0,0,0,1|1,0,0]=3 2922 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 527a_100102657272_100000032101 [0,1,0,0,0,1|1,0,0]=3 2923 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)Br 2430a_100000765947_100102657272 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)C 2430a_100011279678_100102657272 [0,1,0,0,0,1|2,0,0]=4 2925 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)C 512a_100011279678_100102657272 [0,1,0,0,0,1|2,0,0]=4 2926 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)Cl 2430a_100000742311_100102657272 [0,1,0,0,0,1|2,0,0]=4 2927 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)F 2430a_100000701188_100102657272 [0,1,0,0,0,1|2,0,0]=4 2928 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)F 512a_100000701188_100102657272 [0,1,0,0,0,1|2,0,0]=4 2929 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)I 2430a_100000746945_100102657272 [0,1,0,0,0,1|2,0,0]=4 2930 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)I 512a_100000746945_100102657272 [0,1,0,0,0,1|2,0,0]=4 2931 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100102657272 [0,1,0,0,0,1|1,0,0]=3 2932 B14R1.3405 COC(=O)Cc1ccc(c(c1)OC)N 34a_200009957001_200000210301 [0,1,0,0,0,1|1,0,0]=3 2933 B14R1.3405 COC(=O)Cc1ccc(c(c1)O[13CH3])N 34a_200009957001_200025704644 [0,1,0,0,0,1|1,0,0]=3 2934 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)F 62a_100011435807_200000210301 [0,1,0,0,0,1|1,1,0]=4 2935 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)F 62a_200000210301_100011435807 [0,1,0,0,0,1|1,1,0]=4 2936 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_100010222482_200000210301 [0,1,0,0,0,1|0,1,0]=3 2937 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222482 [0,1,0,0,0,1|0,1,0]=3 2938 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])F 62a_100011435807_200025704644 [0,1,0,0,0,1|1,1,0]=4 2939 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100011435807 [0,1,0,0,0,1|1,1,0]=4 2940 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222482_200025704644 [0,1,0,0,0,1|0,1,0]=3 2941 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222482 [0,1,0,0,0,1|0,1,0]=3 2942 B14R1.3405 COc1cc(ccc1Br)CC(=O)CF 1458a_200010002685_100015361967 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.3405 COc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010110085 [0,1,0,0,0,1|1,0,0]=3 2944 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 22a_100000765947_100000210174 [0,1,0,0,0,1|1,0,0]=3 2945 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 527a_100000765947_100000210174 [0,1,0,0,0,1|1,0,0]=3 2946 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 22a_100011279678_100000210174 [0,1,0,0,0,1|1,0,0]=3 2947 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 527a_100011279678_100000210174 [0,1,0,0,0,1|1,0,0]=3 2948 B14R1.3405 COc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_200010214485 [0,1,0,0,0,1|1,0,0]=3 2949 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 22a_100000742311_100000210174 [0,1,0,0,0,1|1,0,0]=3 2950 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 527a_100000742311_100000210174 [0,1,0,0,0,1|1,0,0]=3 2951 B14R1.3405 COc1cc(ccc1F)CC(=O)CF 1458a_100000117344_100015361967 [0,1,0,0,0,1|2,0,0]=4 2952 B14R1.3405 COc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100012349856 [0,1,0,0,0,1|1,0,0]=3 2953 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 22a_100000701188_100000210174 [0,1,0,0,0,1|1,0,0]=3 2954 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 527a_100000701188_100000210174 [0,1,0,0,0,1|1,0,0]=3 2955 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 22a_100000746945_100000210174 [0,1,0,0,0,1|1,0,0]=3 2956 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 527a_100000746945_100000210174 [0,1,0,0,0,1|1,0,0]=3 2957 B14R1.3405 COc1cc(ccc1O)CC(=O)CF 1458a_100000032101_100015361967 [0,1,0,0,0,1|1,0,0]=3 2958 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [0,1,0,0,0,1|0,0,0]=2 2959 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [0,1,0,0,0,1|0,0,0]=2 2960 B14R1.3405 COc1cc(ccc1O)NC(C)CO 34a_100000726020_100012180447 [0,1,0,0,0,1|1,0,1]=4 2961 B14R1.3405 COc1cc(ccc1O)SC(C)CO 62a_100012180447_100000694246 [0,1,0,0,0,1|1,0,1]=4 2962 B14R1.3405 COc1cc(ccc1O)SC(C)OC 62a_100009879195_100000694246 [0,1,0,0,0,1|1,0,1]=4 2963 B14R1.3405 COc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000694246 [0,1,0,0,0,1|1,0,1]=4 2964 B14R1.3405 COc1nc(ccc1Br)CC(=O)CO 1458a_100000210174_200010066506 [0,1,0,0,0,1|2,0,0]=4 2965 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO 22a_100011249283_100000210174 [0,1,0,0,0,1|2,0,0]=4 2966 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO 527a_100011249283_100000210174 [0,1,0,0,0,1|2,0,0]=4 2967 B14R1.3412 COc1cc(ccc1O)NS(=O)(=O)C 40a_100000726020_100000738038 [0,1,0,0,0,1|1,0,1]=4 2968 B14R1.3651 CNc1cc(ccc1OC)NC(=O)C 34a_100000211725_200000210301 [0,1,0,0,0,1|2,0,0]=4 2969 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 11a_100011999456_100015343762 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 1626a_100011999456_100015343762 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 527a_100011999456_100103153847 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.3651 COc1cc(ccc1CO)C=C(C)C 271570a_100102525489_100011277633 [0,1,0,0,0,1|2,0,0]=4 2973 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,1,0,0,0,1|1,0,0]=3 2974 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,1,0,0,0,1|1,0,0]=3 2975 B14R1.3651 COc1ccc(cc1N[13CH3])NC(=O)C 34a_100000211725_200025704644 [0,1,0,0,0,1|2,0,0]=4 2976 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,1,0,0,0,1|2,0,0]=4 2977 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,1,0,0,0,1|1,0,0]=3 2978 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,1,0,0,0,1|1,0,0]=3 2979 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,1,0,0,0,1|1,0,0]=3 2980 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,1,0,0,0,1|1,0,0]=3 2981 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,1,0,0,0,1|1,0,0]=3 2982 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,1,0,0,0,1|1,0,0]=3 2983 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,1,0,0,0,1|1,0,0]=3 2984 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,1,0,0,0,1|1,1,0]=4 2985 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,1,0,0,0,1|1,1,0]=4 2986 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,1,0,0,0,1|1,1,0]=4 2987 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,1,0,0,0,1|1,1,0]=4 2988 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)Cl 1458a_100000070787_100010116237 [0,1,0,0,0,1|2,0,0]=4 2989 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)F 1458a_100000070787_100009814548 [0,1,0,0,0,1|2,0,0]=4 2990 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 11a_100137314619_100015343762 [0,1,0,0,0,1|2,0,0]=4 2991 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 1626a_100137314619_100015343762 [0,1,0,0,0,1|2,0,0]=4 2992 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 22a_100137314619_100000070787 [0,1,0,0,0,1|2,0,0]=4 2993 B14R1.4106 COc1c(ccc(c1F)NC(=O)C)F 527a_100137314619_100103153847 [0,1,0,0,0,1|2,0,0]=4 2994 B14R1.12 CC(=O)c1ccc(c(c1)C(C)(C)C)O 1458a_100009850564_200000210301 [0,2,0,0,0,0|2,0,0]=4 2995 B14R1.12 CC(C)(C)c1cc(ccc1O)C(=O)[13CH3] 1458a_100009850564_200025704644 [0,2,0,0,0,0|2,0,0]=4 2996 B14R1.31 C=C(C)c1cc(ccc1OC)C(=O)C 271570a_100000694244_100000185153 [0,2,0,0,0,0|2,0,0]=4 2997 B14R1.706 C=C(C)c1ccc(c(c1)C(=O)OC)O 271570a_100000694244_100000149868 [0,2,0,0,0,0|2,0,0]=4 2998 B14R1.706 COC(=O)c1cc(ccc1C)C(=O)C 1458a_100000080026_200000210301 [0,2,0,0,0,0|2,0,0]=4 2999 B14R1.706 COC(=O)c1cc(ccc1C)C(=O)[13CH3] 1458a_100000080026_200025704644 [0,2,0,0,0,0|2,0,0]=4 3000 B14R1.706 COC(=O)c1cc(ccc1O)B(O)O 271570a_203496583355_100000068110 [0,2,0,0,0,0|1,0,1]=4 3001 B14R1.706 COC(=O)c1cc(ccc1O)C(=O)C 271570a_203496583355_100010125496 [0,2,0,0,0,0|1,0,0]=3 3002 B14R1.748 C=C(C)c1cc(ccc1Br)C(=O)OC 271570a_100000694244_100012349818 [0,2,0,0,0,0|2,0,0]=4 3003 B14R1.748 C=C(C)c1cc(ccc1C)C(=O)OC 271570a_100000694244_100011218856 [0,2,0,0,0,0|2,0,0]=4 3004 B14R1.748 C=C(C)c1cc(ccc1Cl)C(=O)OC 271570a_100000694244_100011294800 [0,2,0,0,0,0|2,0,0]=4 3005 B14R1.748 C=C(C)c1cc(ccc1F)C(=O)OC 271570a_100000694244_100000722584 [0,2,0,0,0,0|2,0,0]=4 3006 B14R1.748 C=C(C)c1cc(ccc1N)C(=O)OC 271570a_100000694244_100000187552 [0,2,0,0,0,0|2,0,0]=4 3007 B14R1.748 C=C(C)c1cc(ccc1O)C(=O)OC 271570a_100000694244_100000216328 [0,2,0,0,0,0|1,0,0]=3 3008 B14R1.748 C=C(C)c1cc(cnc1O)C(=O)OC 271570a_100000694244_100010109663 [0,2,0,0,0,0|2,0,0]=4 3009 B14R1.748 C=C(C)c1nc(ccc1O)C(=O)OC 271570a_100000694244_200009815348 [0,2,0,0,0,0|2,0,0]=4 3010 B14R1.748 COC(=O)c1ccc(c(c1)B(O)O)O 271570a_203496583355_200000069430 [0,2,0,0,0,0|2,0,0]=4 3011 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)Br 1458a_100010710364_200000210301 [0,2,0,0,0,0|2,0,0]=4 3012 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)Cl 1458a_200000732520_200000210301 [0,2,0,0,0,0|2,0,0]=4 3013 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)C)O 271570a_203496583355_200016005208 [0,2,0,0,0,0|1,0,0]=3 3014 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)[13CH3])Br 1458a_100010710364_200025704644 [0,2,0,0,0,0|2,0,0]=4 3015 B14R1.748 COC(=O)c1ccc(c(c1)C(=O)[13CH3])Cl 1458a_200000732520_200025704644 [0,2,0,0,0,0|2,0,0]=4 3016 B14R1.748 COC(=O)c1ccc(c(c1)C(C)C)O 271570a_203496583355_200025703530 [0,2,0,0,0,0|1,0,0]=3 3017 B14R1.6035 CC(=O)c1cc(c(cc1O)O)C(C)C 1458a_100009886130_200000210301 [0,2,0,0,0,0|2,0,0]=4 3018 B14R1.6035 CC(C)c1cc(c(cc1O)O)C(=O)[13CH3] 1458a_100009886130_200025704644 [0,2,0,0,0,0|2,0,0]=4 3019 B14R1.358 C=Cc1cc(cc(c1O)Cl)C(=O)OC 271570a_100011290941_100135280131 [0,2,0,0,0,0|1,0,1]=4 3020 B14R1.358 C=Cc1cc(cc(c1O)N)C(=O)OC 271570a_100011290941_100010372079 [0,2,0,0,0,0|1,0,1]=4 3021 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)Cl)Br 1458a_100020639751_100000210202 [0,2,0,0,0,0|2,0,0]=4 3022 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)F)F 1458a_100000081826_100000210202 [0,2,0,0,0,0|2,0,0]=4 3023 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210202 [0,2,0,0,0,0|1,0,0]=3 3024 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210202 [0,2,0,0,0,0|1,0,0]=3 3025 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 11a_106832991635_100020639751 [0,2,0,0,0,0|2,0,0]=4 3026 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 1626a_100102657272_100020639751 [0,2,0,0,0,0|2,0,0]=4 3027 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 240690a_100102657272_100020639751 [0,2,0,0,0,0|2,0,0]=4 3028 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)Cl)Br 527a_100102657272_100020639751 [0,2,0,0,0,0|2,0,0]=4 3029 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 11a_106832991635_100000081826 [0,2,0,0,0,0|2,0,0]=4 3030 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 1626a_100102657272_100000081826 [0,2,0,0,0,0|2,0,0]=4 3031 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 240690a_100102657272_100000081826 [0,2,0,0,0,0|2,0,0]=4 3032 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)F)F 527a_100102657272_100000081826 [0,2,0,0,0,0|2,0,0]=4 3033 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100102657272_100000209947 [0,2,0,0,0,0|1,0,0]=3 3034 B14R1.358 COC(=O)c1cc(c(c(c1)C=O)O)O 271570a_203496583355_100010724619 [0,2,0,0,0,0|2,0,0]=4 3035 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 34a_100000101006_200000210301 [0,2,0,0,0,0|1,0,0]=3 3036 B14R1.358 COC(=O)c1cc(c(c(c1)OC)C)F 7a_100000101006_200000210301 [0,2,0,0,0,0|1,0,0]=3 3037 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 34a_200020639753_200000210301 [0,2,0,0,0,0|1,0,0]=3 3038 B14R1.358 COC(=O)c1cc(c(c(c1)OC)Cl)Br 7a_200020639753_200000210301 [0,2,0,0,0,0|1,0,0]=3 3039 B14R1.358 COC(=O)c1cc(c(c(c1)OC)N)O 271570a_203496583355_100010236038 [0,2,0,0,0,0|1,0,0]=3 3040 B14R1.358 COC(=O)c1cc(c(c(c1)OC)O)O 271570a_203496583355_200009811556 [0,2,0,0,0,0|0,0,0]=2 3041 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 34a_100000101006_200025704644 [0,2,0,0,0,0|1,0,0]=3 3042 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])C)F 7a_100000101006_200025704644 [0,2,0,0,0,0|1,0,0]=3 3043 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 34a_200020639753_200025704644 [0,2,0,0,0,0|1,0,0]=3 3044 B14R1.358 COC(=O)c1cc(c(c(c1)O[13CH3])Cl)Br 7a_200020639753_200025704644 [0,2,0,0,0,0|1,0,0]=3 3045 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)Cl 62a_100012360618_200000210301 [0,2,0,0,0,0|1,1,0]=4 3046 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)Cl 62a_200000210301_100012360618 [0,2,0,0,0,0|1,1,0]=4 3047 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)F 62a_100012920391_200000210301 [0,2,0,0,0,0|1,1,0]=4 3048 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)F 62a_200000210301_100012920391 [0,2,0,0,0,0|1,1,0]=4 3049 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)N 62a_100012353609_200000210301 [0,2,0,0,0,0|1,1,0]=4 3050 B14R1.358 COC(=O)c1cc(c(c(c1)SC)C)N 62a_200000210301_100012353609 [0,2,0,0,0,0|1,1,0]=4 3051 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)F 62a_100010189562_200000210301 [0,2,0,0,0,0|1,1,0]=4 3052 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)F 62a_200000210301_100010189562 [0,2,0,0,0,0|1,1,0]=4 3053 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)N 62a_200000210301_200010713629 [0,2,0,0,0,0|1,1,0]=4 3054 B14R1.358 COC(=O)c1cc(c(c(c1)SC)F)N 62a_200010713629_200000210301 [0,2,0,0,0,0|1,1,0]=4 3055 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)C 62a_100010177015_200000210301 [0,2,0,0,0,0|1,1,0]=4 3056 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)C 62a_200000210301_100010177015 [0,2,0,0,0,0|1,1,0]=4 3057 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)F 62a_100010170820_200000210301 [0,2,0,0,0,0|1,1,0]=4 3058 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)F 62a_200000210301_100010170820 [0,2,0,0,0,0|1,1,0]=4 3059 B14R1.358 COC(=O)c1cc(c(c(c1)SC)N)N 62a_100010128412_200000210301 [0,2,0,0,0,0|1,1,0]=4 3060 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_100135280131_200000210301 [0,2,0,0,0,0|0,1,0]=3 3061 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)Cl 62a_200000210301_100135280131 [0,2,0,0,0,0|0,1,0]=3 3062 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_100010372079_200000210301 [0,2,0,0,0,0|0,1,0]=3 3063 B14R1.358 COC(=O)c1cc(c(c(c1)SC)O)N 62a_200000210301_100010372079 [0,2,0,0,0,0|0,1,0]=3 3064 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)Cl 62a_100012360618_200025704644 [0,2,0,0,0,0|1,1,0]=4 3065 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)Cl 62a_200025704644_100012360618 [0,2,0,0,0,0|1,1,0]=4 3066 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)F 62a_100012920391_200025704644 [0,2,0,0,0,0|1,1,0]=4 3067 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)F 62a_200025704644_100012920391 [0,2,0,0,0,0|1,1,0]=4 3068 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)N 62a_100012353609_200025704644 [0,2,0,0,0,0|1,1,0]=4 3069 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])C)N 62a_200025704644_100012353609 [0,2,0,0,0,0|1,1,0]=4 3070 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)F 62a_100010189562_200025704644 [0,2,0,0,0,0|1,1,0]=4 3071 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)F 62a_200025704644_100010189562 [0,2,0,0,0,0|1,1,0]=4 3072 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)N 62a_200010713629_200025704644 [0,2,0,0,0,0|1,1,0]=4 3073 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])F)N 62a_200025704644_200010713629 [0,2,0,0,0,0|1,1,0]=4 3074 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_100010177015_200025704644 [0,2,0,0,0,0|1,1,0]=4 3075 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100010177015 [0,2,0,0,0,0|1,1,0]=4 3076 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)F 62a_100010170820_200025704644 [0,2,0,0,0,0|1,1,0]=4 3077 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)F 62a_200025704644_100010170820 [0,2,0,0,0,0|1,1,0]=4 3078 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])N)N 62a_100010128412_200025704644 [0,2,0,0,0,0|1,1,0]=4 3079 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_100135280131_200025704644 [0,2,0,0,0,0|0,1,0]=3 3080 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)Cl 62a_200025704644_100135280131 [0,2,0,0,0,0|0,1,0]=3 3081 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_100010372079_200025704644 [0,2,0,0,0,0|0,1,0]=3 3082 B14R1.358 COC(=O)c1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_100010372079 [0,2,0,0,0,0|0,1,0]=3 3083 B14R1.358 COc1cc(cc(c1Cl)Br)C(=O)CF 1458a_100020639751_100015361967 [0,2,0,0,0,0|2,0,0]=4 3084 B14R1.358 COc1cc(cc(c1F)F)C(=O)CF 1458a_100000081826_100015361967 [0,2,0,0,0,0|2,0,0]=4 3085 B14R1.358 COc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000209947_100015361967 [0,2,0,0,0,0|1,0,0]=3 3086 B14R1.358 COc1cc(cc(c1O)O)C(=O)CF 1458a_100000061230_100015361967 [0,2,0,0,0,0|1,0,0]=3 3087 B14R1.436 C=C=Cc1cc(ccc1O)C(=O)OC 271570a_100015277604_100000216328 [0,2,0,0,0,0|1,0,1]=4 3088 B14R1.436 CC=Cc1cc(ccc1Br)C(=O)OC 271570a_100016259895_100012349818 [0,2,0,0,0,0|2,0,0]=4 3089 B14R1.436 CC=Cc1cc(ccc1C)C(=O)OC 271570a_100016259895_100011218856 [0,2,0,0,0,0|2,0,0]=4 3090 B14R1.436 CC=Cc1cc(ccc1Cl)C(=O)OC 271570a_100016259895_100011294800 [0,2,0,0,0,0|2,0,0]=4 3091 B14R1.436 CC=Cc1cc(ccc1F)C(=O)OC 271570a_100016259895_100000722584 [0,2,0,0,0,0|2,0,0]=4 3092 B14R1.436 CC=Cc1cc(ccc1N)C(=O)OC 271570a_100016259895_100000187552 [0,2,0,0,0,0|2,0,0]=4 3093 B14R1.436 CC=Cc1cc(ccc1O)C(=O)OC 271570a_100016259895_100000216328 [0,2,0,0,0,0|1,0,0]=3 3094 B14R1.436 CC=Cc1cc(cnc1O)C(=O)OC 271570a_100016259895_100010109663 [0,2,0,0,0,0|2,0,0]=4 3095 B14R1.436 CC=Cc1nc(ccc1O)C(=O)OC 271570a_100016259895_200009815348 [0,2,0,0,0,0|2,0,0]=4 3096 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100000210202 [0,2,0,0,0,0|1,0,0]=3 3097 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100000210202 [0,2,0,0,0,0|1,0,0]=3 3098 B14R1.436 CCOc1cc(ccc1C)C(=O)CC 1458a_100000238212_100000210202 [0,2,0,0,0,0|2,0,0]=4 3099 B14R1.436 CCOc1cc(ccc1C)C(=O)CF 1458a_100000238212_100015361967 [0,2,0,0,0,0|2,0,0]=4 3100 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 11a_106832991635_100000238212 [0,2,0,0,0,0|2,0,0]=4 3101 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 1626a_100102657272_100000238212 [0,2,0,0,0,0|2,0,0]=4 3102 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 240690a_100102657272_100000238212 [0,2,0,0,0,0|2,0,0]=4 3103 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 527a_100102657272_100000238212 [0,2,0,0,0,0|2,0,0]=4 3104 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100000210202 [0,2,0,0,0,0|1,0,0]=3 3105 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100000210202 [0,2,0,0,0,0|1,0,0]=3 3106 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CC 1458a_200010207389_100000210202 [0,2,0,0,0,0|2,0,0]=4 3107 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CF 1458a_200010207389_100015361967 [0,2,0,0,0,0|2,0,0]=4 3108 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 11a_106832991635_200010207389 [0,2,0,0,0,0|2,0,0]=4 3109 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_200010207389 [0,2,0,0,0,0|2,0,0]=4 3110 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_200010207389 [0,2,0,0,0,0|2,0,0]=4 3111 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 527a_100102657272_200010207389 [0,2,0,0,0,0|2,0,0]=4 3112 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100000210202 [0,2,0,0,0,0|1,0,0]=3 3113 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100000210202 [0,2,0,0,0,0|1,0,0]=3 3114 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100000210202 [0,2,0,0,0,0|1,0,0]=3 3115 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100000210202 [0,2,0,0,0,0|1,0,0]=3 3116 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100000210202 [0,2,0,0,0,0|1,0,0]=3 3117 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100000210202 [0,2,0,0,0,0|1,0,0]=3 3118 B14R1.436 CCOc1cc(ccc1N)C(=O)NN 34a_200000073589_100000210202 [0,2,0,0,0,0|2,0,0]=4 3119 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100000210202 [0,2,0,0,0,0|1,0,0]=3 3120 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100000210202 [0,2,0,0,0,0|1,0,0]=3 3121 B14R1.436 CCOc1cc(ccc1O)C(=O)CC 1458a_100011260950_100000210202 [0,2,0,0,0,0|1,0,0]=3 3122 B14R1.436 CCOc1cc(ccc1O)C(=O)CF 1458a_100011260950_100015361967 [0,2,0,0,0,0|1,0,0]=3 3123 B14R1.436 CCOc1cc(ccc1O)C(=O)NC 240690a_100102657272_100011260950 [0,2,0,0,0,0|1,0,0]=3 3124 B14R1.436 CCOc1cc(cnc1Cl)C(=O)OC 34a_100009840551_100000210202 [0,2,0,0,0,0|2,0,0]=4 3125 B14R1.436 CCOc1cc(cnc1Cl)C(=O)OC 7a_100009840551_100000210202 [0,2,0,0,0,0|2,0,0]=4 3126 B14R1.436 CCOc1cc(cnc1I)C(=O)OC 34a_100010999399_100000210202 [0,2,0,0,0,0|2,0,0]=4 3127 B14R1.436 CCOc1cc(cnc1I)C(=O)OC 7a_100010999399_100000210202 [0,2,0,0,0,0|2,0,0]=4 3128 B14R1.436 CCOc1cc(cnc1N)C(=O)OC 34a_100009857207_100000210202 [0,2,0,0,0,0|2,0,0]=4 3129 B14R1.436 CCOc1cc(cnc1N)C(=O)OC 7a_100009857207_100000210202 [0,2,0,0,0,0|2,0,0]=4 3130 B14R1.436 CCSc1cc(ccc1Br)C(=O)OC 62a_100000210202_100012349818 [0,2,0,0,0,0|1,1,0]=4 3131 B14R1.436 CCSc1cc(ccc1Br)C(=O)OC 62a_100012349818_100000210202 [0,2,0,0,0,0|1,1,0]=4 3132 B14R1.436 CCSc1cc(ccc1C)C(=O)OC 62a_100000210202_100000723194 [0,2,0,0,0,0|1,1,0]=4 3133 B14R1.436 CCSc1cc(ccc1C)C(=O)OC 62a_100000723194_100000210202 [0,2,0,0,0,0|1,1,0]=4 3134 B14R1.436 CCSc1cc(ccc1Cl)C(=O)OC 62a_100000210202_100011294800 [0,2,0,0,0,0|1,1,0]=4 3135 B14R1.436 CCSc1cc(ccc1Cl)C(=O)OC 62a_100011294800_100000210202 [0,2,0,0,0,0|1,1,0]=4 3136 B14R1.436 CCSc1cc(ccc1F)C(=O)OC 62a_100000210202_100000722584 [0,2,0,0,0,0|1,1,0]=4 3137 B14R1.436 CCSc1cc(ccc1F)C(=O)OC 62a_100000722584_100000210202 [0,2,0,0,0,0|1,1,0]=4 3138 B14R1.436 CCSc1cc(ccc1N)C(=O)OC 62a_100000187552_100000210202 [0,2,0,0,0,0|1,1,0]=4 3139 B14R1.436 CCSc1cc(ccc1N)C(=O)OC 62a_100000210202_100000187552 [0,2,0,0,0,0|1,1,0]=4 3140 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000210202_100000216328 [0,2,0,0,0,0|0,1,0]=3 3141 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000210202 [0,2,0,0,0,0|0,1,0]=3 3142 B14R1.436 CCSc1cc(cnc1O)C(=O)OC 62a_100000210202_100010109663 [0,2,0,0,0,0|1,1,0]=4 3143 B14R1.436 CCSc1cc(cnc1O)C(=O)OC 62a_100010109663_100000210202 [0,2,0,0,0,0|1,1,0]=4 3144 B14R1.436 CCSc1nc(ccc1O)C(=O)OC 62a_100000210202_200009815348 [0,2,0,0,0,0|1,1,0]=4 3145 B14R1.436 CCSc1nc(ccc1O)C(=O)OC 62a_200009815348_100000210202 [0,2,0,0,0,0|1,1,0]=4 3146 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 2230a_106832991635_100012232407 [0,2,0,0,0,0|2,0,0]=4 3147 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 26a_100102657272_100011934688 [0,2,0,0,0,0|2,0,0]=4 3148 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 270004a_106832991635_100012274322 [0,2,0,0,0,0|2,0,0]=4 3149 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 34a_100102657272_100012232407 [0,2,0,0,0,0|2,0,0]=4 3150 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC 7a_106832991635_100012232407 [0,2,0,0,0,0|2,0,0]=4 3151 B14R1.436 CNCc1cc(ccc1C)C(=O)OC 270004a_106832991635_100010624047 [0,2,0,0,0,0|2,0,0]=4 3152 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 2230a_106832991635_100000698984 [0,2,0,0,0,0|2,0,0]=4 3153 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 26a_100102657272_100000103815 [0,2,0,0,0,0|2,0,0]=4 3154 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 270004a_106832991635_100000725138 [0,2,0,0,0,0|2,0,0]=4 3155 B14R1.436 CNCc1cc(ccc1Cl)C(=O)OC 7a_106832991635_100000698984 [0,2,0,0,0,0|2,0,0]=4 3156 B14R1.436 CNCc1cc(ccc1F)C(=O)OC 26a_100102657272_100000062259 [0,2,0,0,0,0|2,0,0]=4 3157 B14R1.436 COC(=O)c1ccc(c(c1)CC#N)O 271570a_203496583355_100009888959 [0,2,0,0,0,0|1,0,1]=4 3158 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])Br 34a_100010201863_200025704644 [0,2,0,0,0,0|1,0,0]=3 3159 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])Br 7a_100010201863_200025704644 [0,2,0,0,0,0|1,0,0]=3 3160 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])N 34a_200015838792_200025704644 [0,2,0,0,0,0|1,0,0]=3 3161 B14R1.436 COC(=O)c1ccc(c(c1)CO[13CH3])N 7a_200015838792_200025704644 [0,2,0,0,0,0|1,0,0]=3 3162 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Br 62a_100012232407_200000210301 [0,2,0,0,0,0|1,1,0]=4 3163 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Br 62a_200000210301_100012232407 [0,2,0,0,0,0|1,1,0]=4 3164 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Cl 62a_100000698984_200000210301 [0,2,0,0,0,0|1,1,0]=4 3165 B14R1.436 COC(=O)c1ccc(c(c1)CSC)Cl 62a_200000210301_100000698984 [0,2,0,0,0,0|1,1,0]=4 3166 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Br 62a_100012232407_200025704644 [0,2,0,0,0,0|1,1,0]=4 3167 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Br 62a_200025704644_100012232407 [0,2,0,0,0,0|1,1,0]=4 3168 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Cl 62a_100000698984_200025704644 [0,2,0,0,0,0|1,1,0]=4 3169 B14R1.436 COC(=O)c1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100000698984 [0,2,0,0,0,0|1,1,0]=4 3170 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 34a_100011934688_100015361967 [0,2,0,0,0,0|1,0,0]=3 3171 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 7a_100011934688_100015361967 [0,2,0,0,0,0|1,0,0]=3 3172 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 34a_100000736511_100015361967 [0,2,0,0,0,0|1,0,0]=3 3173 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 7a_100000736511_100015361967 [0,2,0,0,0,0|1,0,0]=3 3174 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 34a_100000103815_100015361967 [0,2,0,0,0,0|1,0,0]=3 3175 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 7a_100000103815_100015361967 [0,2,0,0,0,0|1,0,0]=3 3176 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 34a_100000062259_100015361967 [0,2,0,0,0,0|1,0,0]=3 3177 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 7a_100000062259_100015361967 [0,2,0,0,0,0|1,0,0]=3 3178 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 34a_100012350776_100015361967 [0,2,0,0,0,0|1,0,0]=3 3179 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 7a_100012350776_100015361967 [0,2,0,0,0,0|1,0,0]=3 3180 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 34a_100000757247_100015361967 [0,2,0,0,0,0|1,0,0]=3 3181 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 7a_100000757247_100015361967 [0,2,0,0,0,0|1,0,0]=3 3182 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Br 62a_100012349818_100015361967 [0,2,0,0,0,0|1,1,0]=4 3183 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100012349818 [0,2,0,0,0,0|1,1,0]=4 3184 B14R1.436 COC(=O)c1ccc(c(c1)SCF)C 62a_100000723194_100015361967 [0,2,0,0,0,0|1,1,0]=4 3185 B14R1.436 COC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100000723194 [0,2,0,0,0,0|1,1,0]=4 3186 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Cl 62a_100011294800_100015361967 [0,2,0,0,0,0|1,1,0]=4 3187 B14R1.436 COC(=O)c1ccc(c(c1)SCF)Cl 62a_100015361967_100011294800 [0,2,0,0,0,0|1,1,0]=4 3188 B14R1.436 COC(=O)c1ccc(c(c1)SCF)F 62a_100000722584_100015361967 [0,2,0,0,0,0|1,1,0]=4 3189 B14R1.436 COC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000722584 [0,2,0,0,0,0|1,1,0]=4 3190 B14R1.436 COC(=O)c1ccc(c(c1)SCF)N 62a_100000187552_100015361967 [0,2,0,0,0,0|1,1,0]=4 3191 B14R1.436 COC(=O)c1ccc(c(c1)SCF)N 62a_100015361967_100000187552 [0,2,0,0,0,0|1,1,0]=4 3192 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100000216328_100015361967 [0,2,0,0,0,0|0,1,0]=3 3193 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100015361967_100000216328 [0,2,0,0,0,0|0,1,0]=3 3194 B14R1.436 COC(=O)c1ccc(c(n1)SCF)O 62a_100015361967_200009815348 [0,2,0,0,0,0|1,1,0]=4 3195 B14R1.436 COC(=O)c1ccc(c(n1)SCF)O 62a_200009815348_100015361967 [0,2,0,0,0,0|1,1,0]=4 3196 B14R1.436 COC(=O)c1cnc(c(c1)OCF)Cl 34a_100009840551_100015361967 [0,2,0,0,0,0|2,0,0]=4 3197 B14R1.436 COC(=O)c1cnc(c(c1)OCF)Cl 7a_100009840551_100015361967 [0,2,0,0,0,0|2,0,0]=4 3198 B14R1.436 COC(=O)c1cnc(c(c1)OCF)I 34a_100010999399_100015361967 [0,2,0,0,0,0|2,0,0]=4 3199 B14R1.436 COC(=O)c1cnc(c(c1)OCF)I 7a_100010999399_100015361967 [0,2,0,0,0,0|2,0,0]=4 3200 B14R1.436 COC(=O)c1cnc(c(c1)OCF)N 34a_100009857207_100015361967 [0,2,0,0,0,0|2,0,0]=4 3201 B14R1.436 COC(=O)c1cnc(c(c1)OCF)N 7a_100009857207_100015361967 [0,2,0,0,0,0|2,0,0]=4 3202 B14R1.436 COC(=O)c1cnc(c(c1)SCF)O 62a_100010109663_100015361967 [0,2,0,0,0,0|1,1,0]=4 3203 B14R1.436 COC(=O)c1cnc(c(c1)SCF)O 62a_100015361967_100010109663 [0,2,0,0,0,0|1,1,0]=4 3204 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 34a_100010201863_200000210301 [0,2,0,0,0,0|1,0,0]=3 3205 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 34a_100138415774_100012232407 [0,2,0,0,0,0|1,0,0]=3 3206 B14R1.436 COCc1cc(ccc1Br)C(=O)OC 7a_100010201863_200000210301 [0,2,0,0,0,0|1,0,0]=3 3207 B14R1.436 COCc1cc(ccc1N)C(=O)OC 34a_200015838792_200000210301 [0,2,0,0,0,0|1,0,0]=3 3208 B14R1.436 COCc1cc(ccc1N)C(=O)OC 7a_200015838792_200000210301 [0,2,0,0,0,0|1,0,0]=3 3209 B14R1.436 COCc1cc(ccc1O)C(=O)OC 271570a_203496583355_200010890493 [0,2,0,0,0,0|0,0,0]=2 3210 B14R1.436 NNC(=O)c1ccc(c(c1)OCF)N 34a_200000073589_100015361967 [0,2,0,0,0,0|2,0,0]=4 3211 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000184674 [0,2,0,0,0,0|2,0,0]=4 3212 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000184674 [0,2,0,0,0,0|2,0,0]=4 3213 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000184674 [0,2,0,0,0,0|2,0,0]=4 3214 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000184674 [0,2,0,0,0,0|2,0,0]=4 3215 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000184674 [0,2,0,0,0,0|2,0,0]=4 3216 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000184674 [0,2,0,0,0,0|1,0,0]=3 3217 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210623 [0,2,0,0,0,0|2,0,0]=4 3218 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210623 [0,2,0,0,0,0|2,0,0]=4 3219 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210623 [0,2,0,0,0,0|2,0,0]=4 3220 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210623 [0,2,0,0,0,0|2,0,0]=4 3221 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210623 [0,2,0,0,0,0|2,0,0]=4 3222 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210623 [0,2,0,0,0,0|1,0,0]=3 3223 B14R1.626 C=Cc1cc(ccc1O)C(=O)OCC 271570a_100011290941_100009812659 [0,2,0,0,0,0|1,0,1]=4 3224 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210303 [0,2,0,0,0,0|2,0,0]=4 3225 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210303 [0,2,0,0,0,0|2,0,0]=4 3226 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210303 [0,2,0,0,0,0|2,0,0]=4 3227 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210303 [0,2,0,0,0,0|2,0,0]=4 3228 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210303 [0,2,0,0,0,0|2,0,0]=4 3229 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [0,2,0,0,0,0|1,0,0]=3 3230 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 11a_100015525214_100011934951 [0,2,0,0,0,0|2,0,0]=4 3231 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100015525214_100011934951 [0,2,0,0,0,0|2,0,0]=4 3232 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 527a_100015525214_100011934951 [0,2,0,0,0,0|2,0,0]=4 3233 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 11a_100015525214_100000212341 [0,2,0,0,0,0|2,0,0]=4 3234 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 240690a_100015525214_100000212341 [0,2,0,0,0,0|2,0,0]=4 3235 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 527a_100015525214_100000212341 [0,2,0,0,0,0|2,0,0]=4 3236 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 11a_100015525214_100000181799 [0,2,0,0,0,0|2,0,0]=4 3237 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100015525214_100000181799 [0,2,0,0,0,0|2,0,0]=4 3238 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100015525214_100000181799 [0,2,0,0,0,0|2,0,0]=4 3239 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 11a_100015525214_100000757635 [0,2,0,0,0,0|2,0,0]=4 3240 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 240690a_100015525214_100000757635 [0,2,0,0,0,0|2,0,0]=4 3241 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 527a_100015525214_100000757635 [0,2,0,0,0,0|2,0,0]=4 3242 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 11a_100015525214_100012356290 [0,2,0,0,0,0|2,0,0]=4 3243 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 240690a_100015525214_100012356290 [0,2,0,0,0,0|2,0,0]=4 3244 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 527a_100015525214_100012356290 [0,2,0,0,0,0|2,0,0]=4 3245 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)O 240690a_100015525214_100000687070 [0,2,0,0,0,0|1,0,0]=3 3246 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)Br 7a_100012355281_200000210301 [0,2,0,0,0,0|1,0,0]=3 3247 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 34a_200009842343_200000210301 [0,2,0,0,0,0|1,0,0]=3 3248 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 7a_200009842343_200000210301 [0,2,0,0,0,0|1,0,0]=3 3249 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)N 7a_100000756704_200000210301 [0,2,0,0,0,0|1,0,0]=3 3250 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100010189661 [0,2,0,0,0,0|0,0,0]=2 3251 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100012355281_200025704644 [0,2,0,0,0,0|1,0,0]=3 3252 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 34a_200009842343_200025704644 [0,2,0,0,0,0|1,0,0]=3 3253 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 7a_200009842343_200025704644 [0,2,0,0,0,0|1,0,0]=3 3254 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000756704_200025704644 [0,2,0,0,0,0|1,0,0]=3 3255 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)C 62a_100012359631_200000210301 [0,2,0,0,0,0|1,1,0]=4 3256 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100012359631 [0,2,0,0,0,0|1,1,0]=4 3257 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)F 62a_100011934563_200000210301 [0,2,0,0,0,0|1,1,0]=4 3258 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011934563 [0,2,0,0,0,0|1,1,0]=4 3259 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)N 62a_100161115259_200000210301 [0,2,0,0,0,0|1,1,0]=4 3260 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100161115259 [0,2,0,0,0,0|1,1,0]=4 3261 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100009812659 [0,2,0,0,0,0|0,1,0]=3 3262 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])C 62a_100012359631_200025704644 [0,2,0,0,0,0|1,1,0]=4 3263 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100012359631 [0,2,0,0,0,0|1,1,0]=4 3264 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011934563_200025704644 [0,2,0,0,0,0|1,1,0]=4 3265 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011934563 [0,2,0,0,0,0|1,1,0]=4 3266 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])N 62a_100161115259_200025704644 [0,2,0,0,0,0|1,1,0]=4 3267 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100161115259 [0,2,0,0,0,0|1,1,0]=4 3268 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100009812659 [0,2,0,0,0,0|0,1,0]=3 3269 B14R1.626 CCOC(=O)c1cnc(c(c1)OC)I 7a_100010179890_200000210301 [0,2,0,0,0,0|2,0,0]=4 3270 B14R1.626 CCOC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010179890_200025704644 [0,2,0,0,0,0|2,0,0]=4 3271 B14R1.626 CCOC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010004467 [0,2,0,0,0,0|1,1,0]=4 3272 B14R1.626 CCOC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010004467 [0,2,0,0,0,0|1,1,0]=4 3273 B14R1.626 CCc1cc(ccc1Br)C(=O)CCO 1458a_100010152358_100000211926 [0,2,0,0,0,0|2,0,0]=4 3274 B14R1.626 CCc1cc(ccc1Cl)C(=O)CCO 1458a_100000102533_100000211926 [0,2,0,0,0,0|2,0,0]=4 3275 B14R1.626 CCc1cc(ccc1F)C(=O)CCO 1458a_100009883079_100000211926 [0,2,0,0,0,0|2,0,0]=4 3276 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 2230a_106832991635_200010710740 [0,2,0,0,0,0|2,0,0]=4 3277 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)Br 34a_100102657272_200010710740 [0,2,0,0,0,0|2,0,0]=4 3278 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 2230a_106832991635_200012348595 [0,2,0,0,0,0|2,0,0]=4 3279 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 34a_100102657272_200012348595 [0,2,0,0,0,0|2,0,0]=4 3280 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)F 7a_106832991635_200012348595 [0,2,0,0,0,0|2,0,0]=4 3281 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,2,0,0,0,0|1,0,0]=3 3282 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)Br 22a_100016993582_100011934951 [0,2,0,0,0,0|2,0,0]=4 3283 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)C 22a_100016993582_100000212341 [0,2,0,0,0,0|2,0,0]=4 3284 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)Cl 22a_100016993582_100000181799 [0,2,0,0,0,0|2,0,0]=4 3285 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)F 22a_100016993582_100000757635 [0,2,0,0,0,0|2,0,0]=4 3286 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)I 22a_100016993582_100012356290 [0,2,0,0,0,0|2,0,0]=4 3287 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)O 22a_100016993582_100000687070 [0,2,0,0,0,0|1,0,0]=3 3288 B14R1.626 COCC(=O)c1ccc(c(c1)CO)O 34a_100138415774_100010262812 [0,2,0,0,0,0|2,0,0]=4 3289 B14R1.626 COCC(=O)c1ccc(c(c1)OC)Br 34a_100138415774_200010710740 [0,2,0,0,0,0|1,0,0]=3 3290 B14R1.626 COCC(=O)c1ccc(c(c1)OC)F 34a_100138415774_200012348595 [0,2,0,0,0,0|1,0,0]=3 3291 B14R1.626 COc1cc(ccc1Br)C(=O)CC#N 1458a_100011934951_100011214920 [0,2,0,0,0,0|2,0,0]=4 3292 B14R1.626 COc1cc(ccc1Br)C(=O)CCF 1458a_100011934951_100011217306 [0,2,0,0,0,0|2,0,0]=4 3293 B14R1.626 COc1cc(ccc1Br)C(=O)CCO 1458a_100011934951_100000211926 [0,2,0,0,0,0|1,0,0]=3 3294 B14R1.626 COc1cc(ccc1Br)C(=O)CSC 62a_200010710740_200000210301 [0,2,0,0,0,0|1,1,0]=4 3295 B14R1.626 COc1cc(ccc1Br)C(=O)CS[13CH3] 62a_200010710740_200025704644 [0,2,0,0,0,0|1,1,0]=4 3296 B14R1.626 COc1cc(ccc1C)C(=O)CC#N 1458a_100000212341_100011214920 [0,2,0,0,0,0|2,0,0]=4 3297 B14R1.626 COc1cc(ccc1C)C(=O)CCF 1458a_100000212341_100011217306 [0,2,0,0,0,0|2,0,0]=4 3298 B14R1.626 COc1cc(ccc1C)C(=O)CCO 1458a_100000212341_100000211926 [0,2,0,0,0,0|1,0,0]=3 3299 B14R1.626 COc1cc(ccc1Cl)C(=O)CC#N 1458a_100000181799_100011214920 [0,2,0,0,0,0|2,0,0]=4 3300 B14R1.626 COc1cc(ccc1Cl)C(=O)CCF 1458a_100000181799_100011217306 [0,2,0,0,0,0|2,0,0]=4 3301 B14R1.626 COc1cc(ccc1Cl)C(=O)CCO 1458a_100000181799_100000211926 [0,2,0,0,0,0|1,0,0]=3 3302 B14R1.626 COc1cc(ccc1F)C(=O)CC#N 1458a_100000757635_100011214920 [0,2,0,0,0,0|2,0,0]=4 3303 B14R1.626 COc1cc(ccc1F)C(=O)CCF 1458a_100000757635_100011217306 [0,2,0,0,0,0|2,0,0]=4 3304 B14R1.626 COc1cc(ccc1F)C(=O)CCO 1458a_100000757635_100000211926 [0,2,0,0,0,0|1,0,0]=3 3305 B14R1.626 COc1cc(ccc1F)C(=O)CSC 62a_200000210301_200012348595 [0,2,0,0,0,0|1,1,0]=4 3306 B14R1.626 COc1cc(ccc1F)C(=O)CSC 62a_200012348595_200000210301 [0,2,0,0,0,0|1,1,0]=4 3307 B14R1.626 COc1cc(ccc1F)C(=O)CS[13CH3] 62a_200012348595_200025704644 [0,2,0,0,0,0|1,1,0]=4 3308 B14R1.626 COc1cc(ccc1F)C(=O)CS[13CH3] 62a_200025704644_200012348595 [0,2,0,0,0,0|1,1,0]=4 3309 B14R1.626 COc1cc(ccc1I)C(=O)CC#N 1458a_100012356290_100011214920 [0,2,0,0,0,0|2,0,0]=4 3310 B14R1.626 COc1cc(ccc1I)C(=O)CCF 1458a_100012356290_100011217306 [0,2,0,0,0,0|2,0,0]=4 3311 B14R1.626 COc1cc(ccc1I)C(=O)CCO 1458a_100012356290_100000211926 [0,2,0,0,0,0|1,0,0]=3 3312 B14R1.626 COc1cc(ccc1O)C(=O)CC#N 1458a_100000687070_100011214920 [0,2,0,0,0,0|1,0,0]=3 3313 B14R1.626 COc1cc(ccc1O)C(=O)CCF 1458a_100000687070_100011217306 [0,2,0,0,0,0|1,0,0]=3 3314 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [0,2,0,0,0,0|0,0,0]=2 3315 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [0,2,0,0,0,0|0,1,0]=3 3316 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [0,2,0,0,0,0|0,1,0]=3 3317 B14R1.626 N#Cc1cc(ccc1O)C(=O)CCO 1458a_100009875055_100000211926 [0,2,0,0,0,0|2,0,0]=4 3318 B14R1.1864 C=Cc1cc(ccc1CO)C(=O)OC 271570a_100011290941_100012355398 [0,2,0,0,0,0|1,0,1]=4 3319 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)OC 271570a_100011290941_100000189012 [0,2,0,0,0,0|1,0,1]=4 3320 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [0,2,0,0,0,0|1,0,0]=3 3321 B14R1.1864 C=Cc1ccc(nc1OC)C(=O)OC 271570a_100011290941_100010189641 [0,2,0,0,0,0|2,0,0]=4 3322 B14R1.1864 C=Cc1cnc(cc1OC)C(=O)OC 271570a_100011290941_100010136178 [0,2,0,0,0,0|2,0,0]=4 3323 B14R1.1864 C=Cc1ncc(cc1OC)C(=O)OC 271570a_100011290941_100010074909 [0,2,0,0,0,0|2,0,0]=4 3324 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210202 [0,2,0,0,0,0|2,0,0]=4 3325 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [0,2,0,0,0,0|1,0,0]=3 3326 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [0,2,0,0,0,0|1,0,0]=3 3327 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [0,2,0,0,0,0|1,0,0]=3 3328 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [0,2,0,0,0,0|1,0,0]=3 3329 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [0,2,0,0,0,0|1,0,0]=3 3330 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [0,2,0,0,0,0|1,0,1]=4 3331 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [0,2,0,0,0,0|1,0,1]=4 3332 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [0,2,0,0,0,0|1,0,1]=4 3333 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [0,2,0,0,0,0|1,0,1]=4 3334 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200000210301_200012360130 [0,2,0,0,0,0|1,1,0]=4 3335 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200012360130_200000210301 [0,2,0,0,0,0|1,1,0]=4 3336 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200012360130_200025704644 [0,2,0,0,0,0|1,1,0]=4 3337 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200025704644_200012360130 [0,2,0,0,0,0|1,1,0]=4 3338 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 2230a_100000740754_200000210301 [0,2,0,0,0,0|2,0,0]=4 3339 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 34a_100000740754_200000210301 [0,2,0,0,0,0|2,0,0]=4 3340 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 2230a_100000740754_200025704644 [0,2,0,0,0,0|2,0,0]=4 3341 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 34a_100000740754_200025704644 [0,2,0,0,0,0|2,0,0]=4 3342 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 11a_106832991635_100009879710 [0,2,0,0,0,0|2,0,0]=4 3343 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 1626a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 3344 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 240690a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 3345 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 527a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 3346 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 2230a_100011850465_200000210301 [0,2,0,0,0,0|2,0,0]=4 3347 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 34a_100011850465_200000210301 [0,2,0,0,0,0|2,0,0]=4 3348 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 2230a_100011850465_200025704644 [0,2,0,0,0,0|2,0,0]=4 3349 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 34a_100011850465_200025704644 [0,2,0,0,0,0|2,0,0]=4 3350 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [0,2,0,0,0,0|1,0,0]=3 3351 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 3352 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 3353 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [0,2,0,0,0,0|1,0,0]=3 3354 B14R1.1864 CNc1ncc(cc1OC)C(=O)OC 27a_100102657272_100010074909 [0,2,0,0,0,0|2,0,0]=4 3355 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200000210301_200010136175 [0,2,0,0,0,0|1,1,0]=4 3356 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200010136175_200000210301 [0,2,0,0,0,0|1,1,0]=4 3357 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200010136175_200025704644 [0,2,0,0,0,0|1,1,0]=4 3358 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200025704644_200010136175 [0,2,0,0,0,0|1,1,0]=4 3359 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_100010136178_200000210301 [0,2,0,0,0,0|1,1,0]=4 3360 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_200000210301_100010136178 [0,2,0,0,0,0|1,1,0]=4 3361 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_100010136178_200025704644 [0,2,0,0,0,0|1,1,0]=4 3362 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010136178 [0,2,0,0,0,0|1,1,0]=4 3363 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 34a_100009865136_200000210301 [0,2,0,0,0,0|2,0,0]=4 3364 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 7a_100009865136_200000210301 [0,2,0,0,0,0|2,0,0]=4 3365 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 34a_100009865136_200025704644 [0,2,0,0,0,0|2,0,0]=4 3366 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 7a_100009865136_200025704644 [0,2,0,0,0,0|2,0,0]=4 3367 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 34a_100000044657_200000210301 [0,2,0,0,0,0|1,0,0]=3 3368 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 7a_100000044657_200000210301 [0,2,0,0,0,0|1,0,0]=3 3369 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [0,2,0,0,0,0|0,0,0]=2 3370 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [0,2,0,0,0,0|0,0,0]=2 3371 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [0,2,0,0,0,0|0,0,0]=2 3372 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [0,2,0,0,0,0|0,0,0]=2 3373 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [0,2,0,0,0,0|0,0,0]=2 3374 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [0,2,0,0,0,0|0,0,0]=2 3375 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_100009816954_200000210301 [0,2,0,0,0,0|0,1,0]=3 3376 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100009816954 [0,2,0,0,0,0|0,1,0]=3 3377 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100009816954_200025704644 [0,2,0,0,0,0|0,1,0]=3 3378 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100009816954 [0,2,0,0,0,0|0,1,0]=3 3379 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 34a_100000044657_200025704644 [0,2,0,0,0,0|1,0,0]=3 3380 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 7a_100000044657_200025704644 [0,2,0,0,0,0|1,0,0]=3 3381 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [0,2,0,0,0,0|0,0,0]=2 3382 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [0,2,0,0,0,0|0,0,0]=2 3383 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C#N 62a_200000210301_100009861381 [0,2,0,0,0,0|1,1,0]=4 3384 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_100012179231_200000210301 [0,2,0,0,0,0|0,1,1]=4 3385 B14R1.1864 COC(=O)c1ccc(c(c1)SC)C=O 62a_200000210301_100012179231 [0,2,0,0,0,0|0,1,1]=4 3386 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_100012355398_200000210301 [0,2,0,0,0,0|0,1,0]=3 3387 B14R1.1864 COC(=O)c1ccc(c(c1)SC)CO 62a_200000210301_100012355398 [0,2,0,0,0,0|0,1,0]=3 3388 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_100000189012_200000210301 [0,2,0,0,0,0|0,1,0]=3 3389 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100000189012 [0,2,0,0,0,0|0,1,0]=3 3390 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100009861381 [0,2,0,0,0,0|1,1,0]=4 3391 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_100012179231_200025704644 [0,2,0,0,0,0|0,1,1]=4 3392 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100012179231 [0,2,0,0,0,0|0,1,1]=4 3393 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_100012355398_200025704644 [0,2,0,0,0,0|0,1,0]=3 3394 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])CO 62a_200025704644_100012355398 [0,2,0,0,0,0|0,1,0]=3 3395 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100000189012_200025704644 [0,2,0,0,0,0|0,1,0]=3 3396 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100000189012 [0,2,0,0,0,0|0,1,0]=3 3397 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_100010189641_200000210301 [0,2,0,0,0,0|1,1,0]=4 3398 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_200000210301_100010189641 [0,2,0,0,0,0|1,1,0]=4 3399 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_100010189641_200025704644 [0,2,0,0,0,0|1,1,0]=4 3400 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100010189641 [0,2,0,0,0,0|1,1,0]=4 3401 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_100010205418_200000210301 [0,2,0,0,0,0|1,1,0]=4 3402 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_200000210301_100010205418 [0,2,0,0,0,0|1,1,0]=4 3403 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_100010205418_200025704644 [0,2,0,0,0,0|1,1,0]=4 3404 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_200025704644_100010205418 [0,2,0,0,0,0|1,1,0]=4 3405 B14R1.1864 COC(=O)c1cnc(c(c1)OC)OC 34a_100009867281_200000210301 [0,2,0,0,0,0|1,0,0]=3 3406 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_100010136190_200000210301 [0,2,0,0,0,0|1,1,0]=4 3407 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_200000210301_100010074909 [0,2,0,0,0,0|1,1,0]=4 3408 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_100010136190_200025704644 [0,2,0,0,0,0|1,1,0]=4 3409 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_200025704644_100010074909 [0,2,0,0,0,0|1,1,0]=4 3410 B14R1.1864 COC(=O)c1cnc(c(c1)O[13CH3])OC 34a_100009867281_200025704644 [0,2,0,0,0,0|1,0,0]=3 3411 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_100010189640_200000210301 [0,2,0,0,0,0|1,1,0]=4 3412 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_200000210301_100010189640 [0,2,0,0,0,0|1,1,0]=4 3413 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_100010189640_200025704644 [0,2,0,0,0,0|1,1,0]=4 3414 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_200025704644_100010189640 [0,2,0,0,0,0|1,1,0]=4 3415 B14R1.1864 COc1cc(ccc1C#N)C(=O)CF 1458a_100009879710_100015361967 [0,2,0,0,0,0|2,0,0]=4 3416 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [0,2,0,0,0,0|1,0,0]=3 3417 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [0,2,0,0,0,0|1,0,0]=3 3418 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [0,2,0,0,0,0|1,0,0]=3 3419 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [0,2,0,0,0,0|1,0,0]=3 3420 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [0,2,0,0,0,0|1,0,0]=3 3421 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [0,2,0,0,0,0|1,0,0]=3 3422 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 3423 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 3424 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 3425 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 3426 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [0,2,0,0,0,0|1,0,0]=3 3427 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_100000186317_200000210301 [0,2,0,0,0,0|1,1,0]=4 3428 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_200000210301_100000186317 [0,2,0,0,0,0|1,1,0]=4 3429 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_100000186317_200025704644 [0,2,0,0,0,0|1,1,0]=4 3430 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000186317 [0,2,0,0,0,0|1,1,0]=4 3431 B14R1.2283 CCC(=O)c1cc(c(cc1Br)C)OC 1458a_100010289115_100000210202 [0,2,0,0,0,0|2,0,0]=4 3432 B14R1.2283 CCC(=O)c1cc(c(cc1Br)F)OC 1458a_100010174800_100000210202 [0,2,0,0,0,0|2,0,0]=4 3433 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 11a_106832991635_100010289115 [0,2,0,0,0,0|2,0,0]=4 3434 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 1626a_100102657272_100010289115 [0,2,0,0,0,0|2,0,0]=4 3435 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 240690a_100102657272_100010289115 [0,2,0,0,0,0|2,0,0]=4 3436 B14R1.2283 CNC(=O)c1cc(c(cc1Br)C)OC 527a_100102657272_100010289115 [0,2,0,0,0,0|2,0,0]=4 3437 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 11a_106832991635_100010174800 [0,2,0,0,0,0|2,0,0]=4 3438 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 1626a_100102657272_100010174800 [0,2,0,0,0,0|2,0,0]=4 3439 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 240690a_100102657272_100010174800 [0,2,0,0,0,0|2,0,0]=4 3440 B14R1.2283 CNC(=O)c1cc(c(cc1Br)F)OC 527a_100102657272_100010174800 [0,2,0,0,0,0|2,0,0]=4 3441 B14R1.2283 COC(=O)c1cc(c(cc1C)C)SC 62a_200000210301_200012360129 [0,2,0,0,0,0|1,1,0]=4 3442 B14R1.2283 COC(=O)c1cc(c(cc1C)C)SC 62a_200012360129_200000210301 [0,2,0,0,0,0|1,1,0]=4 3443 B14R1.2283 COC(=O)c1cc(c(cc1C)C)S[13CH3] 62a_200012360129_200025704644 [0,2,0,0,0,0|1,1,0]=4 3444 B14R1.2283 COC(=O)c1cc(c(cc1C)C)S[13CH3] 62a_200025704644_200012360129 [0,2,0,0,0,0|1,1,0]=4 3445 B14R1.2283 COC(=O)c1cc(c(cc1C)F)SC 62a_100013328185_200000210301 [0,2,0,0,0,0|1,1,0]=4 3446 B14R1.2283 COC(=O)c1cc(c(cc1C)F)SC 62a_200000210301_100013328185 [0,2,0,0,0,0|1,1,0]=4 3447 B14R1.2283 COC(=O)c1cc(c(cc1C)F)S[13CH3] 62a_100013328185_200025704644 [0,2,0,0,0,0|1,1,0]=4 3448 B14R1.2283 COC(=O)c1cc(c(cc1C)F)S[13CH3] 62a_200025704644_100013328185 [0,2,0,0,0,0|1,1,0]=4 3449 B14R1.2283 COC(=O)c1cc(c(cc1C)N)SC 62a_100010236254_200000210301 [0,2,0,0,0,0|1,1,0]=4 3450 B14R1.2283 COC(=O)c1cc(c(cc1C)N)SC 62a_200000210301_100010236254 [0,2,0,0,0,0|1,1,0]=4 3451 B14R1.2283 COC(=O)c1cc(c(cc1C)N)S[13CH3] 62a_100010236254_200025704644 [0,2,0,0,0,0|1,1,0]=4 3452 B14R1.2283 COC(=O)c1cc(c(cc1C)N)S[13CH3] 62a_200025704644_100010236254 [0,2,0,0,0,0|1,1,0]=4 3453 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)SC 62a_100014124666_200000210301 [0,2,0,0,0,0|1,1,0]=4 3454 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)SC 62a_200000210301_100014124666 [0,2,0,0,0,0|1,1,0]=4 3455 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)S[13CH3] 62a_100014124666_200025704644 [0,2,0,0,0,0|1,1,0]=4 3456 B14R1.2283 COC(=O)c1cc(c(cc1Cl)C)S[13CH3] 62a_200025704644_100014124666 [0,2,0,0,0,0|1,1,0]=4 3457 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)OC 34a_100010071070_200000210301 [0,2,0,0,0,0|1,0,0]=3 3458 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)OC 7a_100010071070_200000210301 [0,2,0,0,0,0|1,0,0]=3 3459 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)O[13CH3] 34a_100010071070_200025704644 [0,2,0,0,0,0|1,0,0]=3 3460 B14R1.2283 COC(=O)c1cc(c(cc1Cl)F)O[13CH3] 7a_100010071070_200025704644 [0,2,0,0,0,0|1,0,0]=3 3461 B14R1.2283 COC(=O)c1cc(c(cc1Cl)N)SC 62a_100010204190_200000210301 [0,2,0,0,0,0|1,1,0]=4 3462 B14R1.2283 COC(=O)c1cc(c(cc1Cl)N)S[13CH3] 62a_100010204190_200025704644 [0,2,0,0,0,0|1,1,0]=4 3463 B14R1.2283 COC(=O)c1cc(c(cc1F)C)OC 34a_100009839768_200000210301 [0,2,0,0,0,0|1,0,0]=3 3464 B14R1.2283 COC(=O)c1cc(c(cc1F)C)OC 7a_100009839768_200000210301 [0,2,0,0,0,0|1,0,0]=3 3465 B14R1.2283 COC(=O)c1cc(c(cc1F)C)O[13CH3] 34a_100009839768_200025704644 [0,2,0,0,0,0|1,0,0]=3 3466 B14R1.2283 COC(=O)c1cc(c(cc1F)C)O[13CH3] 7a_100009839768_200025704644 [0,2,0,0,0,0|1,0,0]=3 3467 B14R1.2283 COC(=O)c1cc(c(cc1F)C)SC 62a_100012920548_200000210301 [0,2,0,0,0,0|1,1,0]=4 3468 B14R1.2283 COC(=O)c1cc(c(cc1F)C)SC 62a_200000210301_100012920548 [0,2,0,0,0,0|1,1,0]=4 3469 B14R1.2283 COC(=O)c1cc(c(cc1F)C)S[13CH3] 62a_100012920548_200025704644 [0,2,0,0,0,0|1,1,0]=4 3470 B14R1.2283 COC(=O)c1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100012920548 [0,2,0,0,0,0|1,1,0]=4 3471 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)SC 62a_100012920370_200000210301 [0,2,0,0,0,0|1,1,0]=4 3472 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)SC 62a_200000210301_100012920370 [0,2,0,0,0,0|1,1,0]=4 3473 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)S[13CH3] 62a_100012920370_200025704644 [0,2,0,0,0,0|1,1,0]=4 3474 B14R1.2283 COC(=O)c1cc(c(cc1F)Cl)S[13CH3] 62a_200025704644_100012920370 [0,2,0,0,0,0|1,1,0]=4 3475 B14R1.2283 COC(=O)c1cc(c(cc1F)F)SC 62a_100000718433_200000210301 [0,2,0,0,0,0|1,1,0]=4 3476 B14R1.2283 COC(=O)c1cc(c(cc1F)F)SC 62a_200000210301_100000718433 [0,2,0,0,0,0|1,1,0]=4 3477 B14R1.2283 COC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100000718433_200025704644 [0,2,0,0,0,0|1,1,0]=4 3478 B14R1.2283 COC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100000718433 [0,2,0,0,0,0|1,1,0]=4 3479 B14R1.2283 COC(=O)c1cc(c(cc1F)N)SC 62a_100010764354_200000210301 [0,2,0,0,0,0|1,1,0]=4 3480 B14R1.2283 COC(=O)c1cc(c(cc1F)N)S[13CH3] 62a_100010764354_200025704644 [0,2,0,0,0,0|1,1,0]=4 3481 B14R1.2283 COC(=O)c1cc(c(cc1N)C)SC 62a_100010892302_200000210301 [0,2,0,0,0,0|1,1,0]=4 3482 B14R1.2283 COC(=O)c1cc(c(cc1N)C)SC 62a_200000210301_100010892302 [0,2,0,0,0,0|1,1,0]=4 3483 B14R1.2283 COC(=O)c1cc(c(cc1N)C)S[13CH3] 62a_100010892302_200025704644 [0,2,0,0,0,0|1,1,0]=4 3484 B14R1.2283 COC(=O)c1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010892302 [0,2,0,0,0,0|1,1,0]=4 3485 B14R1.2283 COC(=O)c1cc(c(cc1N)Cl)SC 62a_100010253894_200000210301 [0,2,0,0,0,0|1,1,0]=4 3486 B14R1.2283 COC(=O)c1cc(c(cc1N)Cl)S[13CH3] 62a_100010253894_200025704644 [0,2,0,0,0,0|1,1,0]=4 3487 B14R1.2283 COC(=O)c1cc(c(cc1N)F)OC 34a_100011586606_200000210301 [0,2,0,0,0,0|1,0,0]=3 3488 B14R1.2283 COC(=O)c1cc(c(cc1N)F)OC 7a_100011586606_200000210301 [0,2,0,0,0,0|1,0,0]=3 3489 B14R1.2283 COC(=O)c1cc(c(cc1N)F)O[13CH3] 34a_100011586606_200025704644 [0,2,0,0,0,0|1,0,0]=3 3490 B14R1.2283 COC(=O)c1cc(c(cc1N)F)O[13CH3] 7a_100011586606_200025704644 [0,2,0,0,0,0|1,0,0]=3 3491 B14R1.2283 COC(=O)c1cc(c(cc1N)F)SC 62a_100000699149_200000210301 [0,2,0,0,0,0|1,1,0]=4 3492 B14R1.2283 COC(=O)c1cc(c(cc1N)F)S[13CH3] 62a_100000699149_200025704644 [0,2,0,0,0,0|1,1,0]=4 3493 B14R1.2283 COC(=O)c1cc(c(cc1N)O)OC 271570a_203496583355_100014686525 [0,2,0,0,0,0|0,0,0]=2 3494 B14R1.2283 COC(=O)c1cc(c(cc1O)C)SC 62a_100010233952_200000210301 [0,2,0,0,0,0|1,1,0]=4 3495 B14R1.2283 COC(=O)c1cc(c(cc1O)C)SC 62a_200000210301_100010233952 [0,2,0,0,0,0|1,1,0]=4 3496 B14R1.2283 COC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_100010233952_200025704644 [0,2,0,0,0,0|1,1,0]=4 3497 B14R1.2283 COC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200025704644_100010233952 [0,2,0,0,0,0|1,1,0]=4 3498 B14R1.2283 COC(=O)c1cc(c(cc1O)F)OC 271570a_203496583355_100010269054 [0,2,0,0,0,0|1,0,0]=3 3499 B14R1.2283 COC(=O)c1cc(c(cc1O)F)SC 62a_100010371811_200000210301 [0,2,0,0,0,0|1,1,0]=4 3500 B14R1.2283 COC(=O)c1cc(c(cc1O)F)SC 62a_200000210301_100010371811 [0,2,0,0,0,0|1,1,0]=4 3501 B14R1.2283 COC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100010371811_200025704644 [0,2,0,0,0,0|1,1,0]=4 3502 B14R1.2283 COC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010371811 [0,2,0,0,0,0|1,1,0]=4 3503 B14R1.2283 COC(=O)c1cc(c(cc1O)N)SC 62a_100010075205_200000210301 [0,2,0,0,0,0|1,1,0]=4 3504 B14R1.2283 COC(=O)c1cc(c(cc1O)N)S[13CH3] 62a_100010075205_200025704644 [0,2,0,0,0,0|1,1,0]=4 3505 B14R1.2283 COC(=O)c1cc(c(nc1C)O)SC 62a_100000729808_200000210301 [0,2,0,0,0,0|1,1,0]=4 3506 B14R1.2283 COC(=O)c1cc(c(nc1C)O)SC 62a_200000210301_100000729808 [0,2,0,0,0,0|1,1,0]=4 3507 B14R1.2283 COC(=O)c1cc(c(nc1C)O)S[13CH3] 62a_100000729808_200025704644 [0,2,0,0,0,0|1,1,0]=4 3508 B14R1.2283 COC(=O)c1cc(c(nc1C)O)S[13CH3] 62a_200025704644_100000729808 [0,2,0,0,0,0|1,1,0]=4 3509 B14R1.2283 COc1cc(c(cc1C)Br)C(=O)CF 1458a_100010289115_100015361967 [0,2,0,0,0,0|2,0,0]=4 3510 B14R1.2283 COc1cc(c(cc1F)Br)C(=O)CF 1458a_100010174800_100015361967 [0,2,0,0,0,0|2,0,0]=4 3511 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Br 1458a_100009816242_100000210202 [0,2,0,0,0,0|2,0,0]=4 3512 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)Cl 1458a_100010116254_100000210202 [0,2,0,0,0,0|2,0,0]=4 3513 B14R1.4114 CCC(=O)c1ccc(c(c1F)OC)F 1458a_100000061937_100000210202 [0,2,0,0,0,0|2,0,0]=4 3514 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 11a_106832991635_100009816242 [0,2,0,0,0,0|2,0,0]=4 3515 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 1626a_100102657272_100009816242 [0,2,0,0,0,0|2,0,0]=4 3516 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 240690a_100102657272_100009816242 [0,2,0,0,0,0|2,0,0]=4 3517 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Br 527a_100102657272_100009816242 [0,2,0,0,0,0|2,0,0]=4 3518 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 11a_106832991635_100010116254 [0,2,0,0,0,0|2,0,0]=4 3519 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 1626a_100102657272_100010116254 [0,2,0,0,0,0|2,0,0]=4 3520 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 240690a_100102657272_100010116254 [0,2,0,0,0,0|2,0,0]=4 3521 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)Cl 527a_100102657272_100010116254 [0,2,0,0,0,0|2,0,0]=4 3522 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 11a_106832991635_100000061937 [0,2,0,0,0,0|2,0,0]=4 3523 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 1626a_100102657272_100000061937 [0,2,0,0,0,0|2,0,0]=4 3524 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 240690a_100102657272_100000061937 [0,2,0,0,0,0|2,0,0]=4 3525 B14R1.4114 CNC(=O)c1ccc(c(c1F)OC)F 527a_100102657272_100000061937 [0,2,0,0,0,0|2,0,0]=4 3526 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 34a_100010889012_200000210301 [0,2,0,0,0,0|1,0,0]=3 3527 B14R1.4114 COC(=O)c1ccc(c(c1C)OC)Br 7a_100010889012_200000210301 [0,2,0,0,0,0|1,0,0]=3 3528 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 34a_100010889012_200025704644 [0,2,0,0,0,0|1,0,0]=3 3529 B14R1.4114 COC(=O)c1ccc(c(c1C)O[13CH3])Br 7a_100010889012_200025704644 [0,2,0,0,0,0|1,0,0]=3 3530 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)C 62a_200000210301_200010734123 [0,2,0,0,0,0|1,1,0]=4 3531 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)C 62a_200010734123_200000210301 [0,2,0,0,0,0|1,1,0]=4 3532 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)N 62a_100010764323_200000210301 [0,2,0,0,0,0|1,1,0]=4 3533 B14R1.4114 COC(=O)c1ccc(c(c1C)SC)N 62a_200000210301_100010764323 [0,2,0,0,0,0|1,1,0]=4 3534 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])C 62a_200010734123_200025704644 [0,2,0,0,0,0|1,1,0]=4 3535 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])C 62a_200025704644_200010734123 [0,2,0,0,0,0|1,1,0]=4 3536 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])N 62a_100010764323_200025704644 [0,2,0,0,0,0|1,1,0]=4 3537 B14R1.4114 COC(=O)c1ccc(c(c1C)S[13CH3])N 62a_200025704644_100010764323 [0,2,0,0,0,0|1,1,0]=4 3538 B14R1.4114 COC(=O)c1ccc(c(c1Cl)SC)N 62a_200000210301_200016031531 [0,2,0,0,0,0|1,1,0]=4 3539 B14R1.4114 COC(=O)c1ccc(c(c1Cl)SC)N 62a_200016031531_200000210301 [0,2,0,0,0,0|1,1,0]=4 3540 B14R1.4114 COC(=O)c1ccc(c(c1Cl)S[13CH3])N 62a_200016031531_200025704644 [0,2,0,0,0,0|1,1,0]=4 3541 B14R1.4114 COC(=O)c1ccc(c(c1Cl)S[13CH3])N 62a_200025704644_200016031531 [0,2,0,0,0,0|1,1,0]=4 3542 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 34a_100011096176_200000210301 [0,2,0,0,0,0|1,0,0]=3 3543 B14R1.4114 COC(=O)c1ccc(c(c1F)OC)Br 7a_100011096176_200000210301 [0,2,0,0,0,0|1,0,0]=3 3544 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 34a_100011096176_200025704644 [0,2,0,0,0,0|1,0,0]=3 3545 B14R1.4114 COC(=O)c1ccc(c(c1F)O[13CH3])Br 7a_100011096176_200025704644 [0,2,0,0,0,0|1,0,0]=3 3546 B14R1.4114 COC(=O)c1ccc(c(c1F)SC)F 62a_100000697099_200000210301 [0,2,0,0,0,0|1,1,0]=4 3547 B14R1.4114 COC(=O)c1ccc(c(c1F)SC)F 62a_200000210301_100000697099 [0,2,0,0,0,0|1,1,0]=4 3548 B14R1.4114 COC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100000697099_200025704644 [0,2,0,0,0,0|1,1,0]=4 3549 B14R1.4114 COC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100000697099 [0,2,0,0,0,0|1,1,0]=4 3550 B14R1.4114 COc1c(ccc(c1F)C(=O)CF)Br 1458a_100009816242_100015361967 [0,2,0,0,0,0|2,0,0]=4 3551 B14R1.4114 COc1c(ccc(c1F)C(=O)CF)Cl 1458a_100010116254_100015361967 [0,2,0,0,0,0|2,0,0]=4 3552 B14R1.4114 COc1c(ccc(c1F)C(=O)CF)F 1458a_100000061937_100015361967 [0,2,0,0,0,0|2,0,0]=4 3553 B14R1.350 COc1cc(cc(c1OC)Cl)C(=O)C 1458a_100000180162_200000210301 [0,2,0,0,0,0|1,0,0]=3 3554 B14R1.350 COc1cc(cc(c1OC)Cl)C(=O)[13CH3] 1458a_100000180162_200025704644 [0,2,0,0,0,0|1,0,0]=3 3555 B14R1.350 COc1cc(cc(c1OC)O)C(=O)C 1458a_100000032013_200000210301 [0,2,0,0,0,0|1,0,0]=3 3556 B14R1.350 COc1cc(cc(c1OC)O)C(=O)[13CH3] 1458a_100000032013_200025704644 [0,2,0,0,0,0|1,0,0]=3 3557 B14R1.362 C=C(C)c1cc(c(c(c1)OC)O)CO 271570a_100000694244_100000185604 [0,2,0,0,0,0|2,0,0]=4 3558 B14R1.362 C=C(C)c1cc(c(c(c1)OC)O)OC 271570a_100000694244_100000691893 [0,2,0,0,0,0|2,0,0]=4 3559 B14R1.362 COc1cc(cc(c1Br)OC)C(=O)C 1458a_100000212323_200000210301 [0,2,0,0,0,0|2,0,0]=4 3560 B14R1.362 COc1cc(cc(c1Br)OC)C(=O)[13CH3] 1458a_100000212323_200025704644 [0,2,0,0,0,0|2,0,0]=4 3561 B14R1.362 COc1cc(cc(c1C)OC)C(=O)C 1458a_100000211643_200000210301 [0,2,0,0,0,0|2,0,0]=4 3562 B14R1.362 COc1cc(cc(c1C)OC)C(=O)[13CH3] 1458a_100000211643_200025704644 [0,2,0,0,0,0|2,0,0]=4 3563 B14R1.362 COc1cc(cc(c1O)OC)C(=O)C 1458a_100000692901_200000210301 [0,2,0,0,0,0|1,0,0]=3 3564 B14R1.362 COc1cc(cc(c1O)OC)C(=O)[13CH3] 1458a_100000692901_200025704644 [0,2,0,0,0,0|1,0,0]=3 3565 B14R1.569 COc1cc(c(c(c1F)F)F)C(=O)C 1458a_100010253075_200000210301 [0,2,0,0,0,0|2,0,0]=4 3566 B14R1.569 COc1cc(c(c(c1F)F)F)C(=O)[13CH3] 1458a_100010253075_200025704644 [0,2,0,0,0,0|2,0,0]=4 3567 B14R1.569 COc1cc(c(c(c1O)Cl)Cl)C(=O)C 1458a_200000065980_200000210301 [0,2,0,0,0,0|1,0,0]=3 3568 B14R1.569 COc1cc(c(c(c1O)Cl)Cl)C(=O)[13CH3] 1458a_200000065980_200025704644 [0,2,0,0,0,0|1,0,0]=3 3569 B14R1.5293 CCOc1cc(cc(c1O)Cl)C(=O)C 1458a_100000010658_200000210301 [0,2,0,0,0,0|1,0,0]=3 3570 B14R1.5293 CCOc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000010658_200025704644 [0,2,0,0,0,0|1,0,0]=3 3571 B14R1.12249 COc1c(c(cc(c1F)C(=O)C)F)F 1458a_100000033988_200000210301 [0,2,0,0,0,0|2,0,0]=4 3572 B14R1.12249 COc1c(c(cc(c1F)C(=O)[13CH3])F)F 1458a_100000033988_200025704644 [0,2,0,0,0,0|2,0,0]=4 3573 B14R1.441 C=C(C)c1ccc(c(c1)COC)OC 271570a_100000694244_200011493686 [0,2,0,0,0,0|2,0,0]=4 3574 B14R1.441 C=C(C)c1ccc(c(c1)OCC)OC 271570a_100000694244_200010219349 [0,2,0,0,0,0|2,0,0]=4 3575 B14R1.441 CC=Cc1cc(ccc1OC)C(=O)C 271570a_100016259895_100000185153 [0,2,0,0,0,0|2,0,0]=4 3576 B14R1.441 CCNc1cc(ccc1OC)C(=O)N 34a_100000740584_100000210202 [0,2,0,0,0,0|2,0,0]=4 3577 B14R1.441 CCOc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_100000210202 [0,2,0,0,0,0|1,0,1]=4 3578 B14R1.441 CCOc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_100000210202 [0,2,0,0,0,0|1,0,1]=4 3579 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 1458a_100000181421_200000210301 [0,2,0,0,0,0|1,0,0]=3 3580 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 34a_100000732934_100000210202 [0,2,0,0,0,0|1,0,0]=3 3581 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 7a_100000732934_100000210202 [0,2,0,0,0,0|1,0,0]=3 3582 B14R1.441 CCOc1cc(ccc1OC)C(=O)[13CH3] 1458a_100000181421_200025704644 [0,2,0,0,0,0|1,0,0]=3 3583 B14R1.441 CCOc1cc(ccc1OC)[N+](=O)[O-] 34a_100000211812_100000210202 [0,2,0,0,0,0|1,0,1]=4 3584 B14R1.441 CCOc1cc(ccc1OC)[N+](=O)[O-] 7a_100000211812_100000210202 [0,2,0,0,0,0|1,0,1]=4 3585 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000185153_100000210202 [0,2,0,0,0,0|1,1,0]=4 3586 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000210202_100000039561 [0,2,0,0,0,0|1,1,0]=4 3587 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 2230a_106832991635_100000199119 [0,2,0,0,0,0|2,0,0]=4 3588 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 26a_100102657272_100000732934 [0,2,0,0,0,0|2,0,0]=4 3589 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 34a_100102657272_100000199119 [0,2,0,0,0,0|2,0,0]=4 3590 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 7a_106832991635_100000199119 [0,2,0,0,0,0|2,0,0]=4 3591 B14R1.441 COCc1cc(ccc1OC)C(=O)C 34a_100138415774_100000199119 [0,2,0,0,0,0|1,0,0]=3 3592 B14R1.441 COCc1cc(ccc1OC)C(=O)C 7a_100000246370_200000210301 [0,2,0,0,0,0|1,0,0]=3 3593 B14R1.441 COCc1cc(ccc1OC)[N+](=O)[O-] 34a_100011247973_200000210301 [0,2,0,0,0,0|1,0,1]=4 3594 B14R1.441 COCc1cc(ccc1OC)[N+](=O)[O-] 34a_100138415774_100011216416 [0,2,0,0,0,0|1,0,1]=4 3595 B14R1.441 COCc1cc(ccc1OC)[N+](=O)[O-] 7a_100011247973_200000210301 [0,2,0,0,0,0|1,0,1]=4 3596 B14R1.441 COc1ccc(cc1CO[13CH3])C(=O)C 7a_100000246370_200025704644 [0,2,0,0,0,0|1,0,0]=3 3597 B14R1.441 COc1ccc(cc1CO[13CH3])[N+](=O)[O-] 34a_100011247973_200025704644 [0,2,0,0,0,0|1,0,1]=4 3598 B14R1.441 COc1ccc(cc1CO[13CH3])[N+](=O)[O-] 7a_100011247973_200025704644 [0,2,0,0,0,0|1,0,1]=4 3599 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_100000199119_200000210301 [0,2,0,0,0,0|1,1,0]=4 3600 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_200000210301_100000199119 [0,2,0,0,0,0|1,1,0]=4 3601 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_100000199119_200025704644 [0,2,0,0,0,0|1,1,0]=4 3602 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_200025704644_100000199119 [0,2,0,0,0,0|1,1,0]=4 3603 B14R1.441 COc1ccc(cc1NCF)C(=O)N 34a_100000740584_100015361967 [0,2,0,0,0,0|2,0,0]=4 3604 B14R1.441 COc1ccc(cc1OCF)C(=O)C 34a_100000732934_100015361967 [0,2,0,0,0,0|1,0,0]=3 3605 B14R1.441 COc1ccc(cc1OCF)C(=O)C 7a_100000732934_100015361967 [0,2,0,0,0,0|1,0,0]=3 3606 B14R1.441 COc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000211812_100015361967 [0,2,0,0,0,0|1,0,1]=4 3607 B14R1.441 COc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000211812_100015361967 [0,2,0,0,0,0|1,0,1]=4 3608 B14R1.441 COc1ccc(cc1SCF)C(=O)C 62a_100000185153_100015361967 [0,2,0,0,0,0|1,1,0]=4 3609 B14R1.441 COc1ccc(cc1SCF)C(=O)C 62a_100015361967_100000039561 [0,2,0,0,0,0|1,1,0]=4 3610 B14R1.441 O=[N+]([O-])c1ccc(c(c1)OCF)CO 34a_100000089567_100015361967 [0,2,0,0,0,0|1,0,1]=4 3611 B14R1.441 O=[N+]([O-])c1ccc(c(c1)OCF)CO 7a_100000089567_100015361967 [0,2,0,0,0,0|1,0,1]=4 3612 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100011772453 [0,2,0,0,0,0|2,0,0]=4 3613 B14R1.676 CC(=O)c1ccc(c(c1)CN(C)C)O 269982a_100102631434_100000010293 [0,2,0,0,0,0|2,0,0]=4 3614 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)C 1458a_200011466257_200000210301 [0,2,0,0,0,0|2,0,0]=4 3615 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)C 34a_100000084092_100000210206 [0,2,0,0,0,0|2,0,0]=4 3616 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)C 7a_100000084092_100000210206 [0,2,0,0,0,0|2,0,0]=4 3617 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)Cl 1458a_100010138842_200000210301 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)F 1458a_200015858872_200000210301 [0,2,0,0,0,0|2,0,0]=4 3619 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)F 34a_100000117923_100000210206 [0,2,0,0,0,0|2,0,0]=4 3620 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)F 7a_100000117923_100000210206 [0,2,0,0,0,0|2,0,0]=4 3621 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)O 62a_100011772453_100000210206 [0,2,0,0,0,0|1,1,0]=4 3622 B14R1.676 CC(C)Oc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210206 [0,2,0,0,0,0|2,0,0]=4 3623 B14R1.676 CC(C)Oc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210206 [0,2,0,0,0,0|2,0,0]=4 3624 B14R1.676 CC(C)Oc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100010138842_200025704644 [0,2,0,0,0,0|2,0,0]=4 3625 B14R1.676 CC(C)Oc1cc(ccc1F)C(=O)[13CH3] 1458a_200015858872_200025704644 [0,2,0,0,0,0|2,0,0]=4 3626 B14R1.676 CC(C)Oc1cc(ccc1N)C(=O)N 34a_100011850428_100000210206 [0,2,0,0,0,0|2,0,0]=4 3627 B14R1.676 CC(C)Oc1cc(ccc1N)C(=O)N 7a_100011850428_100000210206 [0,2,0,0,0,0|2,0,0]=4 3628 B14R1.676 Cc1ccc(cc1OC(C)C)C(=O)[13CH3] 1458a_200011466257_200025704644 [0,2,0,0,0,0|2,0,0]=4 3629 B14R1.758 C#CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000184674 [0,2,0,0,0,0|2,0,0]=4 3630 B14R1.758 C#CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000038162 [0,2,0,0,0,0|2,0,0]=4 3631 B14R1.758 C#CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000184674 [0,2,0,0,0,0|2,0,0]=4 3632 B14R1.758 C#CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000038162 [0,2,0,0,0,0|2,0,0]=4 3633 B14R1.758 C#CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000184674 [0,2,0,0,0,0|2,0,0]=4 3634 B14R1.758 C#CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000038162 [0,2,0,0,0,0|2,0,0]=4 3635 B14R1.758 C#CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000184674 [0,2,0,0,0,0|2,0,0]=4 3636 B14R1.758 C#CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000038162 [0,2,0,0,0,0|2,0,0]=4 3637 B14R1.758 C=CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100015514636 [0,2,0,0,0,0|2,0,0]=4 3638 B14R1.758 C=CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100015514636 [0,2,0,0,0,0|2,0,0]=4 3639 B14R1.758 C=CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100015514636 [0,2,0,0,0,0|2,0,0]=4 3640 B14R1.758 C=CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100015514636 [0,2,0,0,0,0|2,0,0]=4 3641 B14R1.758 C=CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100015514636 [0,2,0,0,0,0|2,0,0]=4 3642 B14R1.758 C=CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100015514636 [0,2,0,0,0,0|2,0,0]=4 3643 B14R1.758 C=CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100015514636 [0,2,0,0,0,0|2,0,0]=4 3644 B14R1.758 C=CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100015514636 [0,2,0,0,0,0|2,0,0]=4 3645 B14R1.758 C=CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210623 [0,2,0,0,0,0|1,1,0]=4 3646 B14R1.758 CC(=O)c1ccc(c(c1)CSCF)O 62a_100000010293_100015361967 [0,2,0,0,0,0|1,1,0]=4 3647 B14R1.758 CC(=O)c1ccc(c(c1)OCC#N)C 7a_100000084092_100011215382 [0,2,0,0,0,0|2,0,0]=4 3648 B14R1.758 CC(=O)c1ccc(c(c1)OCC#N)F 7a_100000117923_100011215382 [0,2,0,0,0,0|2,0,0]=4 3649 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)C 34a_100000084092_200009817547 [0,2,0,0,0,0|2,0,0]=4 3650 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)C 7a_100000084092_200015260668 [0,2,0,0,0,0|2,0,0]=4 3651 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)F 34a_100000117923_200009817547 [0,2,0,0,0,0|2,0,0]=4 3652 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)F 7a_100000117923_200015260668 [0,2,0,0,0,0|2,0,0]=4 3653 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)C 34a_100000084092_100011217306 [0,2,0,0,0,0|2,0,0]=4 3654 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)C 7a_100000084092_100011217306 [0,2,0,0,0,0|2,0,0]=4 3655 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)F 34a_100000117923_100011217306 [0,2,0,0,0,0|2,0,0]=4 3656 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)F 7a_100000117923_100011217306 [0,2,0,0,0,0|2,0,0]=4 3657 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)C 34a_100000084092_100000211926 [0,2,0,0,0,0|2,0,0]=4 3658 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)C 7a_100000084092_100000211926 [0,2,0,0,0,0|2,0,0]=4 3659 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)F 34a_100000117923_100000211926 [0,2,0,0,0,0|2,0,0]=4 3660 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)F 7a_100000117923_100000211926 [0,2,0,0,0,0|2,0,0]=4 3661 B14R1.758 CC(=O)c1ccc(c(c1)SCC#N)O 62a_100011772453_100011215382 [0,2,0,0,0,0|1,1,0]=4 3662 B14R1.758 CC(=O)c1ccc(c(c1)SCC=O)O 62a_100011772453_200015260668 [0,2,0,0,0,0|1,1,0]=4 3663 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)O 62a_100011772453_100011217306 [0,2,0,0,0,0|1,1,0]=4 3664 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)O 62a_100011772453_100000211926 [0,2,0,0,0,0|1,1,0]=4 3665 B14R1.758 CCCCc1cc(ccc1O)C(=O)C 271570a_100020621405_100011772453 [0,2,0,0,0,0|2,0,0]=4 3666 B14R1.758 CCCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210303 [0,2,0,0,0,0|2,0,0]=4 3667 B14R1.758 CCCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210303 [0,2,0,0,0,0|2,0,0]=4 3668 B14R1.758 CCCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210303 [0,2,0,0,0,0|2,0,0]=4 3669 B14R1.758 CCCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210303 [0,2,0,0,0,0|2,0,0]=4 3670 B14R1.758 CCCOc1cc(ccc1Cl)C(=O)C 1458a_200010157554_200000210301 [0,2,0,0,0,0|2,0,0]=4 3671 B14R1.758 CCCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010157554_200025704644 [0,2,0,0,0,0|2,0,0]=4 3672 B14R1.758 CCCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210303 [0,2,0,0,0,0|2,0,0]=4 3673 B14R1.758 CCCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210303 [0,2,0,0,0,0|2,0,0]=4 3674 B14R1.758 CCCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210303 [0,2,0,0,0,0|2,0,0]=4 3675 B14R1.758 CCCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210303 [0,2,0,0,0,0|2,0,0]=4 3676 B14R1.758 CCCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210303 [0,2,0,0,0,0|1,1,0]=4 3677 B14R1.758 CCOCc1cc(ccc1O)C(=O)C 34a_100121572206_100000010293 [0,2,0,0,0,0|1,0,0]=3 3678 B14R1.758 CCOCc1cc(ccc1O)[N+](=O)[O-] 34a_100121572206_200009813932 [0,2,0,0,0,0|1,0,1]=4 3679 B14R1.758 CCSCc1cc(ccc1O)C(=O)C 62a_100000010293_100000210202 [0,2,0,0,0,0|1,1,0]=4 3680 B14R1.758 COCSc1cc(ccc1Br)C(=O)C 62a_100000766300_100010146556 [0,2,0,0,0,0|2,0,0]=4 3681 B14R1.758 COCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000766300 [0,2,0,0,0,0|2,0,0]=4 3682 B14R1.758 COCSc1cc(ccc1C)C(=O)C 62a_100000766300_100011934287 [0,2,0,0,0,0|2,0,0]=4 3683 B14R1.758 COCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000766300 [0,2,0,0,0,0|2,0,0]=4 3684 B14R1.758 COCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000766300 [0,2,0,0,0,0|2,0,0]=4 3685 B14R1.758 COCSc1cc(ccc1C)C(=O)N 62a_100000766300_100000186401 [0,2,0,0,0,0|2,0,0]=4 3686 B14R1.758 COCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000766300 [0,2,0,0,0,0|2,0,0]=4 3687 B14R1.758 COCSc1cc(ccc1F)C(=O)C 62a_100000766300_100000239719 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.758 COCSc1cc(ccc1F)C(=O)N 62a_100000766300_100011202321 [0,2,0,0,0,0|2,0,0]=4 3689 B14R1.758 COCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000766300 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.758 COCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000766300 [0,2,0,0,0,0|2,0,0]=4 3691 B14R1.758 COCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000766300 [0,2,0,0,0,0|1,0,0]=3 3692 B14R1.758 CSCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100011218213 [0,2,0,0,0,0|2,0,0]=4 3693 B14R1.758 CSCOc1cc(ccc1C)C(=O)C 34a_100000084092_100011218213 [0,2,0,0,0,0|2,0,0]=4 3694 B14R1.758 CSCOc1cc(ccc1F)C(=O)C 34a_100000117923_100011218213 [0,2,0,0,0,0|2,0,0]=4 3695 B14R1.758 CSCOc1cc(ccc1N)C(=O)N 34a_100011850428_100011218213 [0,2,0,0,0,0|2,0,0]=4 3696 B14R1.758 CSCSc1cc(ccc1O)C(=O)C 62a_100011772453_100011218213 [0,2,0,0,0,0|1,1,0]=4 3697 B14R1.758 N#CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100011215382 [0,2,0,0,0,0|2,0,0]=4 3698 B14R1.758 N#CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100011215382 [0,2,0,0,0,0|2,0,0]=4 3699 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)Br 34a_100012344895_200009817547 [0,2,0,0,0,0|2,0,0]=4 3700 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)Br 7a_100012344895_200015260668 [0,2,0,0,0,0|2,0,0]=4 3701 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)N 34a_100011850428_200009817547 [0,2,0,0,0,0|2,0,0]=4 3702 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)N 7a_100011850428_200015260668 [0,2,0,0,0,0|2,0,0]=4 3703 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)Br 34a_100012344895_100011217306 [0,2,0,0,0,0|2,0,0]=4 3704 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)Br 7a_100012344895_100011217306 [0,2,0,0,0,0|2,0,0]=4 3705 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)N 34a_100011850428_100011217306 [0,2,0,0,0,0|2,0,0]=4 3706 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)N 7a_100011850428_100011217306 [0,2,0,0,0,0|2,0,0]=4 3707 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)Br 34a_100012344895_100000211926 [0,2,0,0,0,0|2,0,0]=4 3708 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)Br 7a_100012344895_100000211926 [0,2,0,0,0,0|2,0,0]=4 3709 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)N 34a_100011850428_100000211926 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)N 7a_100011850428_100000211926 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.5389 CCOc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116260_200000210301 [0,2,0,0,0,0|2,0,0]=4 3712 B14R1.5389 CCOc1c(ccc(c1F)C(=O)C)F 1458a_100000061585_200000210301 [0,2,0,0,0,0|2,0,0]=4 3713 B14R1.5389 CCOc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116260_200025704644 [0,2,0,0,0,0|2,0,0]=4 3714 B14R1.5389 CCOc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061585_200025704644 [0,2,0,0,0,0|2,0,0]=4 3715 B14R1.1851 C=C(C)c1cc(c(cc1F)OC)OC 271570a_100000694244_200011765842 [0,2,0,0,0,0|2,0,0]=4 3716 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)Br 1458a_100011217046_200000210301 [0,2,0,0,0,0|1,0,0]=3 3717 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)C 1458a_100000765401_200000210301 [0,2,0,0,0,0|1,0,0]=3 3718 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)C 34a_100010659216_200000210301 [0,2,0,0,0,0|1,0,0]=3 3719 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)C 7a_100010659216_200000210301 [0,2,0,0,0,0|1,0,0]=3 3720 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)Cl 1458a_100000692841_200000210301 [0,2,0,0,0,0|1,0,0]=3 3721 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)F 1458a_100000687845_200000210301 [0,2,0,0,0,0|1,0,0]=3 3722 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)F 34a_100000070333_200000210301 [0,2,0,0,0,0|1,0,0]=3 3723 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)F 7a_100000070333_200000210301 [0,2,0,0,0,0|1,0,0]=3 3724 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)I 1458a_100000749224_200000210301 [0,2,0,0,0,0|1,0,0]=3 3725 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)O 1458a_100012177203_200000210301 [0,2,0,0,0,0|1,0,0]=3 3726 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])Br 1458a_100011217046_200025704644 [0,2,0,0,0,0|1,0,0]=3 3727 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])C 1458a_100000765401_200025704644 [0,2,0,0,0,0|1,0,0]=3 3728 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])Cl 1458a_100000692841_200025704644 [0,2,0,0,0,0|1,0,0]=3 3729 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])F 1458a_100000687845_200025704644 [0,2,0,0,0,0|1,0,0]=3 3730 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])I 1458a_100000749224_200025704644 [0,2,0,0,0,0|1,0,0]=3 3731 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])O 1458a_100012177203_200025704644 [0,2,0,0,0,0|1,0,0]=3 3732 B14R1.1851 COc1cc(c(cc1O[13CH3])C(=O)C)C 34a_100010659216_200025704644 [0,2,0,0,0,0|1,0,0]=3 3733 B14R1.1851 COc1cc(c(cc1O[13CH3])C(=O)C)C 7a_100010659216_200025704644 [0,2,0,0,0,0|1,0,0]=3 3734 B14R1.1851 COc1cc(c(cc1O[13CH3])F)C(=O)C 34a_100000070333_200025704644 [0,2,0,0,0,0|1,0,0]=3 3735 B14R1.1851 COc1cc(c(cc1O[13CH3])F)C(=O)C 7a_100000070333_200025704644 [0,2,0,0,0,0|1,0,0]=3 3736 B14R1.2288 C=C(C)c1cc(c(cc1C=O)O)OC 271570a_100000694244_100000183646 [0,2,0,0,0,0|2,0,0]=4 3737 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)OC 271570a_100000694244_100009816818 [0,2,0,0,0,0|2,0,0]=4 3738 B14R1.2288 COc1cc(c(cc1O)OC)B(O)O 271570a_203496583355_100010185586 [0,2,0,0,0,0|1,0,1]=4 3739 B14R1.2288 COc1cc(c(cc1O)OC)C(=O)C 271570a_203496583355_100012352748 [0,2,0,0,0,0|1,0,0]=3 3740 B14R1.4189 COc1c(cc(c(c1F)C(=O)C)Cl)Cl 1458a_100160470565_200000210301 [0,2,0,0,0,0|2,0,0]=4 3741 B14R1.4189 COc1c(cc(c(c1F)C(=O)C)F)F 1458a_100000062153_200000210301 [0,2,0,0,0,0|2,0,0]=4 3742 B14R1.4189 COc1c(cc(c(c1F)C(=O)[13CH3])Cl)Cl 1458a_100160470565_200025704644 [0,2,0,0,0,0|2,0,0]=4 3743 B14R1.4189 COc1c(cc(c(c1F)C(=O)[13CH3])F)F 1458a_100000062153_200025704644 [0,2,0,0,0,0|2,0,0]=4 3744 B14R1.43 C=C(C)c1ccc(c(c1)OC)B(O)O 271570a_100000694244_100010245881 [0,2,0,0,0,0|2,0,0]=4 3745 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)C 271570a_100000694244_100010110075 [0,2,0,0,0,0|2,0,0]=4 3746 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)N 271570a_100000694244_100009817049 [0,2,0,0,0,0|2,0,0]=4 3747 B14R1.43 CC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100009848971_200025704644 [0,2,0,0,0,0|1,0,1]=4 3748 B14R1.43 COc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100009817049 [0,2,0,0,0,0|2,0,0]=4 3749 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C 1458a_100000217213_200000210301 [0,2,0,0,0,0|1,0,1]=4 3750 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C 7a_100009848971_200000210301 [0,2,0,0,0,0|1,0,1]=4 3751 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)N 7a_100012185228_200000210301 [0,2,0,0,0,0|1,0,1]=4 3752 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000217213_200025704644 [0,2,0,0,0,0|1,0,1]=4 3753 B14R1.43 [13CH3]Oc1cc(ccc1[N+](=O)[O-])C(=O)N 7a_100012185228_200025704644 [0,2,0,0,0,0|1,0,1]=4 3754 B14R1.2023 C=C(C)c1ccc(c(c1C)OC)OC 271570a_100000694244_100010000156 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.2023 COc1ccc(c(c1OC)Br)C(=O)C 1458a_100010284110_200000210301 [0,2,0,0,0,0|1,0,0]=3 3756 B14R1.2023 COc1ccc(c(c1OC)Br)C(=O)[13CH3] 1458a_100010284110_200025704644 [0,2,0,0,0,0|1,0,0]=3 3757 B14R1.2023 COc1ccc(c(c1OC)C)C(=O)C 1458a_100000092638_200000210301 [0,2,0,0,0,0|1,0,0]=3 3758 B14R1.2023 COc1ccc(c(c1OC)C)C(=O)[13CH3] 1458a_100000092638_200025704644 [0,2,0,0,0,0|1,0,0]=3 3759 B14R1.2023 COc1ccc(c(c1OC)Cl)C(=O)C 1458a_100011216413_200000210301 [0,2,0,0,0,0|1,0,0]=3 3760 B14R1.2023 COc1ccc(c(c1OC)Cl)C(=O)[13CH3] 1458a_100011216413_200025704644 [0,2,0,0,0,0|1,0,0]=3 3761 B14R1.2023 COc1ccc(c(c1SC)N)C(=O)C 62a_100010236346_200000210301 [0,2,0,0,0,0|1,1,0]=4 3762 B14R1.2023 COc1ccc(c(c1S[13CH3])N)C(=O)C 62a_100010236346_200025704644 [0,2,0,0,0,0|1,1,0]=4 3763 B14R1.6723 C=C(C)c1ccc(c(c1)OC)OCC 271570a_100000694244_200012344064 [0,2,0,0,0,0|2,0,0]=4 3764 B14R1.6723 C=C=Cc1ccc(cc1OC)C(=O)C 271570a_100015277604_100010110075 [0,2,0,0,0,0|2,0,0]=4 3765 B14R1.6723 C=C=Cc1ccc(cc1OC)C(=O)N 271570a_100015277604_100009817049 [0,2,0,0,0,0|2,0,0]=4 3766 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)C 271570a_100016259895_100010110075 [0,2,0,0,0,0|2,0,0]=4 3767 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)N 271570a_100016259895_100009817049 [0,2,0,0,0,0|2,0,0]=4 3768 B14R1.6723 CCNc1ccc(cc1OC)C(=O)N 27a_100015525214_100009817049 [0,2,0,0,0,0|2,0,0]=4 3769 B14R1.6723 CCNc1ccc(cc1OC)C(=O)N 34a_100011850419_100000210202 [0,2,0,0,0,0|2,0,0]=4 3770 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 1458a_100000184834_200000210301 [0,2,0,0,0,0|1,0,0]=3 3771 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 34a_100000186468_100000210202 [0,2,0,0,0,0|1,0,0]=3 3772 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 7a_100000186468_100000210202 [0,2,0,0,0,0|1,0,0]=3 3773 B14R1.6723 CCOc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000184834_200025704644 [0,2,0,0,0,0|1,0,0]=3 3774 B14R1.6723 CCOc1ccc(cc1OC)C(C)O 34a_100000246512_100000210202 [0,2,0,0,0,0|1,0,1]=4 3775 B14R1.6723 CCOc1ccc(cc1OC)C(C)O 7a_100000246512_100000210202 [0,2,0,0,0,0|1,0,1]=4 3776 B14R1.6723 CCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000210202 [0,2,0,0,0,0|1,0,1]=4 3777 B14R1.6723 CCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000210202 [0,2,0,0,0,0|1,0,1]=4 3778 B14R1.6723 CCSc1ccc(cc1OC)C(=O)C 62a_100010110075_100000210202 [0,2,0,0,0,0|1,1,0]=4 3779 B14R1.6723 CCSc1ccc(cc1OC)C(=O)N 62a_100009817049_100000210202 [0,2,0,0,0,0|1,1,0]=4 3780 B14R1.6723 CCc1cc(ccc1COC)C(=O)C 7a_100009829543_200000210301 [0,2,0,0,0,0|2,0,0]=4 3781 B14R1.6723 CCc1cc(ccc1CO[13CH3])C(=O)C 7a_100009829543_200025704644 [0,2,0,0,0,0|2,0,0]=4 3782 B14R1.6723 CNCc1ccc(cc1OC)C(=O)C 26a_100102657272_100000186468 [0,2,0,0,0,0|2,0,0]=4 3783 B14R1.6723 CNCc1ccc(cc1OC)C(=O)[O-] 26a_100102657272_100015267463 [0,2,0,0,0,0|1,0,1]=4 3784 B14R1.6723 COCc1ccc(cc1OC)[N+](=O)[O-] 34a_100000087858_200000210301 [0,2,0,0,0,0|1,0,1]=4 3785 B14R1.6723 COCc1ccc(cc1OC)[N+](=O)[O-] 34a_100138415774_100010150584 [0,2,0,0,0,0|1,0,1]=4 3786 B14R1.6723 COc1cc(ccc1CO[13CH3])[N+](=O)[O-] 34a_100000087858_200025704644 [0,2,0,0,0,0|1,0,1]=4 3787 B14R1.6723 COc1cc(ccc1NCF)C(=O)N 34a_100011850419_100015361967 [0,2,0,0,0,0|2,0,0]=4 3788 B14R1.6723 COc1cc(ccc1OCF)C(=O)C 34a_100000186468_100015361967 [0,2,0,0,0,0|1,0,0]=3 3789 B14R1.6723 COc1cc(ccc1OCF)C(=O)C 7a_100000186468_100015361967 [0,2,0,0,0,0|1,0,0]=3 3790 B14R1.6723 COc1cc(ccc1OCF)C(C)O 34a_100000246512_100015361967 [0,2,0,0,0,0|1,0,1]=4 3791 B14R1.6723 COc1cc(ccc1OCF)C(C)O 7a_100000246512_100015361967 [0,2,0,0,0,0|1,0,1]=4 3792 B14R1.6723 COc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000742293_100015361967 [0,2,0,0,0,0|1,0,1]=4 3793 B14R1.6723 COc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000742293_100015361967 [0,2,0,0,0,0|1,0,1]=4 3794 B14R1.6723 COc1cc(ccc1SCF)C(=O)C 62a_100010110075_100015361967 [0,2,0,0,0,0|1,1,0]=4 3795 B14R1.6723 COc1cc(ccc1SCF)C(=O)N 62a_100009817049_100015361967 [0,2,0,0,0,0|1,1,0]=4 3796 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [1,0,0,1,0,0|2,0,0]=4 3797 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [1,0,0,1,0,0|2,0,0]=4 3798 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [1,0,0,1,0,0|2,0,0]=4 3799 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [1,0,0,1,0,0|2,0,0]=4 3800 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [1,0,0,1,0,0|1,0,0]=3 3801 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [1,0,0,1,0,0|2,0,0]=4 3802 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [1,0,0,1,0,0|2,0,0]=4 3803 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [1,0,0,1,0,0|2,0,0]=4 3804 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [1,0,0,1,0,0|2,0,0]=4 3805 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [1,0,0,1,0,0|2,0,0]=4 3806 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [1,0,0,1,0,0|2,0,0]=4 3807 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,0,0,1,0,1|2,0,0]=4 3808 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,0,0,1,0,1|2,0,0]=4 3809 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,0,0,1,0,1|1,0,0]=3 3810 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100015343762 [0,0,0,1,0,1|2,0,0]=4 3811 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100015343762 [0,0,0,1,0,1|2,0,0]=4 3812 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000070787 [0,0,0,1,0,1|2,0,0]=4 3813 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100103153847 [0,0,0,1,0,1|2,0,0]=4 3814 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,0,0,1,0,1|1,0,0]=3 3815 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,0,0,1,0,1|1,0,0]=3 3816 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,0,0,1,0,1|1,0,0]=3 3817 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,0,0,1,0,1|1,0,0]=3 3818 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,0,0,1,0,1|2,0,0]=4 3819 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,0,0,1,0,1|1,0,0]=3 3820 B14R2.955 CC(=O)c1ccc(c(c1)C2CC2)O 271570a_100011220607_100011772453 [0,1,0,1,0,0|2,0,0]=4 3821 B14R2.24358 CC(=O)c1ccc2onc(c2c1)C 1458a_200010977551_200000210301 [0,1,0,1,0,0|2,0,0]=4 3822 B14R2.24358 Cc1noc2c1cc(cc2)C(=O)[13CH3] 1458a_200010977551_200025704644 [0,1,0,1,0,0|2,0,0]=4 3823 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 3824 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 3825 B14R2.966 CCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210202 [0,1,0,1,0,0|2,0,0]=4 3826 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210202 [0,1,0,1,0,0|1,0,0]=3 3827 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 11a_106832991635_100011207309 [0,1,0,1,0,0|2,0,0]=4 3828 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 1626a_100102657272_100011207309 [0,1,0,1,0,0|2,0,0]=4 3829 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 240690a_100102657272_100011207309 [0,1,0,1,0,0|2,0,0]=4 3830 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 527a_100102657272_100011207309 [0,1,0,1,0,0|2,0,0]=4 3831 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 11a_106832991635_100000210863 [0,1,0,1,0,0|1,0,0]=3 3832 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 1626a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 3833 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 240690a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 3834 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 527a_100102657272_100000210863 [0,1,0,1,0,0|1,0,0]=3 3835 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 3836 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 3837 B14R2.966 O=C(CF)c1ccc2c(c1)CCO2 1458a_100011207309_100015361967 [0,1,0,1,0,0|2,0,0]=4 3838 B14R2.966 O=C(CF)c1ccc2c(c1)OCO2 1458a_100000210863_100015361967 [0,1,0,1,0,0|1,0,0]=3 3839 B14R2.2167 COc1cc2c(cc1C)COC2=O 7a_200010662192_200000210301 [0,1,0,1,0,0|1,0,0]=3 3840 B14R2.2167 COc1cc2c(cc1F)CCC2=O 34a_100000092147_200000210301 [0,1,0,1,0,0|2,0,0]=4 3841 B14R2.2167 COc1cc2c(cc1F)CCC2=O 7a_100000092147_200000210301 [0,1,0,1,0,0|2,0,0]=4 3842 B14R2.2167 COc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010233615 [0,1,0,1,0,0|1,0,0]=3 3843 B14R2.2167 Cc1cc2c(cc1O[13CH3])C(=O)OC2 7a_200010662192_200025704644 [0,1,0,1,0,0|1,0,0]=3 3844 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 34a_100000092147_200025704644 [0,1,0,1,0,0|2,0,0]=4 3845 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 7a_100000092147_200025704644 [0,1,0,1,0,0|2,0,0]=4 3846 B14R2.3818 COc1c(ccc2c1CCC2=O)C 34a_100009867297_200000210301 [0,1,0,1,0,0|2,0,0]=4 3847 B14R2.3818 COc1c(ccc2c1CCC2=O)C 7a_100009867297_200000210301 [0,1,0,1,0,0|2,0,0]=4 3848 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 34a_100009867297_200025704644 [0,1,0,1,0,0|2,0,0]=4 3849 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 7a_100009867297_200025704644 [0,1,0,1,0,0|2,0,0]=4 3850 B14R2.8824 CC(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_200000210301 [0,1,0,1,0,0|1,0,0]=3 3851 B14R2.8824 [13CH3]C(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_200025704644 [0,1,0,1,0,0|1,0,0]=3 3852 B14R2.601 CC(=O)c1ccc2c(c1)CC(O2)C 1458a_100000189409_200000210301 [0,1,0,1,0,0|2,0,0]=4 3853 B14R2.601 CC(=O)c1ccc2nc(oc2c1)C 1458a_100000688415_200000210301 [0,1,0,1,0,0|2,0,0]=4 3854 B14R2.601 CC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_200000210301 [0,1,0,1,0,0|2,0,0]=4 3855 B14R2.601 CC(=O)c1ccc2oc(nc2c1)C 1458a_100000709727_200000210301 [0,1,0,1,0,0|2,0,0]=4 3856 B14R2.601 CC1Cc2cc(ccc2O1)C(=O)[13CH3] 1458a_100000189409_200025704644 [0,1,0,1,0,0|2,0,0]=4 3857 B14R2.601 Cc1cc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000068196_200025704644 [0,1,0,1,0,0|2,0,0]=4 3858 B14R2.601 Cc1nc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000709727_200025704644 [0,1,0,1,0,0|2,0,0]=4 3859 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)[13CH3] 1458a_100000688415_200025704644 [0,1,0,1,0,0|2,0,0]=4 3860 B14R2.781 C=C(C)c1ccc2c(c1)OCCO2 271570a_100000694244_100000184379 [0,1,0,1,0,0|2,0,0]=4 3861 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200000210301 [0,1,0,1,0,0|2,0,0]=4 3862 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200000210301 [0,1,0,1,0,0|1,0,0]=3 3863 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200025704644 [0,1,0,1,0,0|2,0,0]=4 3864 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200025704644 [0,1,0,1,0,0|1,0,0]=3 3865 B14R2.8653 CC(=O)c1ccc(c2c1OCO2)O 271570a_203496583355_100021123059 [0,1,0,1,0,0|1,0,0]=3 3866 B14R2.624 C=C(C)c1cc2c(cc1N)OCO2 271570a_100000694244_100012557033 [0,1,0,1,0,0|2,0,0]=4 3867 B14R2.624 C=C(C)c1cc2c(cc1O)OCO2 271570a_100000694244_100010290809 [0,1,0,1,0,0|2,0,0]=4 3868 B14R2.624 CC(=O)c1cc2c(cc1Br)OCO2 1458a_100012339479_200000210301 [0,1,0,1,0,0|1,0,0]=3 3869 B14R2.624 [13CH3]C(=O)c1cc2c(cc1Br)OCO2 1458a_100012339479_200025704644 [0,1,0,1,0,0|1,0,0]=3 3870 B14R2.5998 C=C(C)c1ccc2c(c1C)OCO2 271570a_100000694244_100010335860 [0,1,0,1,0,0|2,0,0]=4 3871 B14R2.5998 C=C(C)c1ccc2c(c1F)OCO2 271570a_100000694244_100010223184 [0,1,0,1,0,0|2,0,0]=4 3872 B14R2.5998 CC(=O)c1ccc2c(c1C)OCO2 1458a_100009908537_200000210301 [0,1,0,1,0,0|1,0,0]=3 3873 B14R2.5998 Cc1c(ccc2c1OCO2)C(=O)[13CH3] 1458a_100009908537_200025704644 [0,1,0,1,0,0|1,0,0]=3 3874 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [1,0,0,0,1,0|2,0,0]=4 3875 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [1,0,0,0,1,0|2,0,0]=4 3876 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [1,0,0,0,0,1|1,1,0]=4 3877 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [1,0,0,0,0,1|1,1,0]=4 3878 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [1,0,0,0,0,1|2,0,0]=4 3879 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [1,0,0,0,0,1|1,0,0]=3 3880 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [1,0,0,0,0,1|1,0,0]=3 3881 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [1,0,0,0,0,1|1,1,0]=4 3882 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [1,0,0,0,0,1|1,0,0]=3 3883 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [1,0,0,0,0,1|1,1,0]=4 3884 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [1,0,0,0,0,1|2,0,0]=4 3885 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [1,0,0,0,0,1|2,0,0]=4 3886 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [1,0,0,0,0,1|2,0,0]=4 3887 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [1,0,0,0,0,1|2,0,0]=4 3888 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [1,0,0,0,0,1|2,0,0]=4 3889 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [1,0,0,0,0,1|2,0,0]=4 3890 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [1,0,0,0,0,1|2,0,0]=4 3891 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [1,0,0,0,0,1|2,0,0]=4 3892 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [1,0,0,0,0,1|2,0,0]=4 3893 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [1,0,0,0,0,1|2,0,0]=4 3894 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [1,0,0,0,0,1|2,0,0]=4 3895 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [1,0,0,0,0,1|2,0,0]=4 3896 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [1,0,0,0,0,1|1,0,0]=3 3897 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [1,0,0,0,0,1|1,0,0]=3 3898 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [1,0,0,0,0,1|1,0,0]=3 3899 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [1,0,0,0,0,1|1,0,0]=3 3900 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [1,0,0,0,0,1|1,0,0]=3 3901 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [1,0,0,0,0,1|1,0,0]=3 3902 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [1,0,0,0,0,1|1,0,0]=3 3903 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [1,0,0,0,0,1|1,0,0]=3 3904 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [1,0,0,0,0,1|1,0,0]=3 3905 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [1,0,0,0,0,1|1,0,0]=3 3906 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [1,0,0,0,0,1|1,0,0]=3 3907 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [1,0,0,0,0,1|1,0,0]=3 3908 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [1,0,0,0,0,1|1,0,0]=3 3909 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [1,0,0,0,0,1|1,1,0]=4 3910 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [1,0,0,0,0,1|1,0,0]=3 3911 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [1,0,0,0,0,1|2,0,0]=4 3912 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [1,0,0,0,0,1|2,0,0]=4 3913 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [1,0,0,0,0,1|1,1,0]=4 3914 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [1,0,0,0,0,1|1,1,0]=4 3915 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [1,0,0,0,0,1|1,1,0]=4 3916 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [1,0,0,0,0,1|1,1,0]=4 3917 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [1,0,0,0,0,1|1,1,0]=4 3918 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [1,0,0,0,0,1|1,1,0]=4 3919 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [1,0,0,0,0,1|1,1,0]=4 3920 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [1,0,0,0,0,1|1,1,0]=4 3921 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [1,0,0,0,0,1|1,1,0]=4 3922 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [1,0,0,0,0,1|1,1,0]=4 3923 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [1,0,0,0,0,1|1,1,0]=4 3924 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [1,0,0,0,0,1|1,1,0]=4 3925 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [1,0,0,0,0,1|1,1,0]=4 3926 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [1,0,0,0,0,1|2,0,0]=4 3927 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [1,0,0,0,0,1|2,0,0]=4 3928 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [1,0,0,0,0,1|2,0,0]=4 3929 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [1,0,0,0,0,1|1,0,0]=3 3930 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [1,0,0,0,0,1|1,0,0]=3 3931 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [1,0,0,0,0,1|1,0,0]=3 3932 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [1,0,0,0,0,1|1,0,0]=3 3933 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [1,0,0,0,0,1|1,1,0]=4 3934 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [1,0,0,0,0,1|1,1,0]=4 3935 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [1,0,0,0,0,1|1,1,0]=4 3936 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [1,0,0,0,0,1|1,1,0]=4 3937 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,0,0,0,1,1|2,0,0]=4 3938 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,0,0,0,1,1|2,0,0]=4 3939 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,0,0,0,1,1|2,0,0]=4 3940 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,0,0,0,1,1|2,0,0]=4 3941 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,0,0,0,1,1|2,0,0]=4 3942 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,0,0,0,1,1|2,0,0]=4 3943 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,0,0,0,1,1|2,0,0]=4 3944 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,0,0,0,1,1|1,1,0]=4 3945 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,0,0,0,1,1|1,0,1]=4 3946 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,0,0,0,1,1|2,0,0]=4 3947 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,0,0,0,1,1|2,0,0]=4 3948 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,0,0,0,1,1|2,0,0]=4 3949 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,0,0,0,1,1|2,0,0]=4 3950 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,0,0,0,1,1|2,0,0]=4 3951 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,0,0,0,1,1|2,0,0]=4 3952 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,0,0,0,1,1|2,0,0]=4 3953 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,0,0,0,1,1|2,0,0]=4 3954 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,0,0,0,1,1|2,0,0]=4 3955 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,0,0,0,1,1|2,0,0]=4 3956 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,0,0,0,1,1|2,0,0]=4 3957 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,0,0,0,1,1|1,0,0]=3 3958 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [0,0,0,0,1,1|2,0,0]=4 3959 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [0,0,0,0,1,1|2,0,0]=4 3960 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,0,0,0,1,1|2,0,0]=4 3961 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,0,0,0,1,1|2,0,0]=4 3962 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,0,0,0,1,1|2,0,0]=4 3963 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,0,0,0,1,1|2,0,0]=4 3964 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [0,0,0,0,1,1|2,0,0]=4 3965 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [0,0,0,0,1,1|2,0,0]=4 3966 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,0,0,0,1,1|1,0,0]=3 3967 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,0,0,0,1,1|2,0,0]=4 3968 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,0,0,0,1,1|2,0,0]=4 3969 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,0,0,0,1,1|2,0,0]=4 3970 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,0,0,0,1,1|2,0,0]=4 3971 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,0,0,0,1,1|2,0,0]=4 3972 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,0,0,0,1,1|2,0,0]=4 3973 B12R1.57 COc1nc(ccc1B(O)O)O 271570a_203496583355_100010143858 [0,0,0,0,1,1|1,0,1]=4 3974 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,0,0,0,1,1|1,1,0]=4 3975 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,0,0,0,1,1|2,0,0]=4 3976 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,0,0,0,1,1|2,0,0]=4 3977 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [0,0,0,0,1,1|2,0,0]=4 3978 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [0,0,0,0,1,1|2,0,0]=4 3979 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,0,0,0,1,1|2,0,0]=4 3980 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,0,0,0,1,1|2,0,0]=4 3981 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [0,0,0,0,1,1|2,0,0]=4 3982 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [0,0,0,0,1,1|2,0,0]=4 3983 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,0,0,0,1,1|2,0,0]=4 3984 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,0,0,0,1,1|2,0,0]=4 3985 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,0,0,0,1,1|2,0,0]=4 3986 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,0,0,0,1,1|2,0,0]=4 3987 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,0,0,0,1,1|2,0,0]=4 3988 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,0,0,0,1,1|2,0,0]=4 3989 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,0,0,0,1,1|2,0,0]=4 3990 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,0,0,0,1,1|2,0,0]=4 3991 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,0,0,0,1,1|1,0,1]=4 3992 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,0,0,0,1,1|2,0,0]=4 3993 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,0,0,0,1,1|2,0,0]=4 3994 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,0,0,0,1,1|2,0,0]=4 3995 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,0,0,0,1,1|2,0,0]=4 3996 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,0,0,0,1,1|2,0,0]=4 3997 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,0,0,0,1,1|2,0,0]=4 3998 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,0,0,0,1,1|2,0,0]=4 3999 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,0,0,0,1,1|2,0,0]=4 4000 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,0,0,0,1,1|2,0,0]=4 4001 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,0,0,0,1,1|2,0,0]=4 4002 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,0,0,0,1,1|1,0,0]=3 4003 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,0,0,0,1,1|1,0,0]=3 4004 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,0,0,0,1,1|2,0,0]=4 4005 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,0,0,0,1,1|2,0,0]=4 4006 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,0,0,0,1,1|2,0,0]=4 4007 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,0,0,0,1,1|2,0,0]=4 4008 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,0,0,0,1,1|1,0,0]=3 4009 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,0,0,0,1,1|2,0,0]=4 4010 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,0,0,0,1,1|2,0,0]=4 4011 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,0,0,0,1,1|2,0,0]=4 4012 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,0,0,0,1,1|2,0,0]=4 4013 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,0,0,0,1,1|1,0,0]=3 4014 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,0,0,0,1,1|2,0,0]=4 4015 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,0,0,0,1,1|2,0,0]=4 4016 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,0,0,0,1,1|2,0,0]=4 4017 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,0,0,0,1,1|2,0,0]=4 4018 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [0,0,0,0,0,2|2,0,0]=4 4019 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [0,0,0,0,0,2|2,0,0]=4 4020 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [0,0,0,0,0,2|2,0,0]=4 4021 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [0,0,0,0,0,2|2,0,0]=4 4022 B14R1.42 CCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100012338938 [0,0,0,0,0,2|2,0,0]=4 4023 B14R1.42 CCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100012338938 [0,0,0,0,0,2|1,0,1]=4 4024 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,0,0,0,0,2|2,0,0]=4 4025 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,0,0,0,0,2|2,0,0]=4 4026 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 2230a_100000765947_100000747473 [0,0,0,0,0,2|2,0,0]=4 4027 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 34a_100000765947_100000187820 [0,0,0,0,0,2|2,0,0]=4 4028 B14R1.42 COc1cc(ccc1Br)NCC(=O)[O-] 34a_100000765947_100020667443 [0,0,0,0,0,2|1,0,1]=4 4029 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 34a_100011827694_100000187820 [0,0,0,0,0,2|2,0,0]=4 4030 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 7a_100011827694_100000187820 [0,0,0,0,0,2|2,0,0]=4 4031 B14R1.42 COc1cc(ccc1Br)OCC(=O)[O-] 34a_100011827694_100020667443 [0,0,0,0,0,2|1,0,1]=4 4032 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100012353699 [0,0,0,0,0,2|2,0,0]=4 4033 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100012353699_100000747473 [0,0,0,0,0,2|2,0,0]=4 4034 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100012353699_100020667443 [0,0,0,0,0,2|1,0,1]=4 4035 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100012353699 [0,0,0,0,0,2|1,0,1]=4 4036 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [0,0,0,0,0,2|2,0,0]=4 4037 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [0,0,0,0,0,2|2,0,0]=4 4038 B14R1.42 COc1cc(ccc1C)NCC(=O)N 2230a_100011279678_100000747473 [0,0,0,0,0,2|2,0,0]=4 4039 B14R1.42 COc1cc(ccc1C)NCC(=O)N 34a_100011279678_100000187820 [0,0,0,0,0,2|2,0,0]=4 4040 B14R1.42 COc1cc(ccc1C)NCC(=O)[O-] 34a_100011279678_100020667443 [0,0,0,0,0,2|1,0,1]=4 4041 B14R1.42 COc1cc(ccc1C)OCC(=O)N 34a_100009865632_100000187820 [0,0,0,0,0,2|2,0,0]=4 4042 B14R1.42 COc1cc(ccc1C)OCC(=O)N 7a_100009865632_100000187820 [0,0,0,0,0,2|2,0,0]=4 4043 B14R1.42 COc1cc(ccc1C)OCC(=O)[O-] 34a_100009865632_100020667443 [0,0,0,0,0,2|1,0,1]=4 4044 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100000747473_100011830276 [0,0,0,0,0,2|2,0,0]=4 4045 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100011830276_100000747473 [0,0,0,0,0,2|2,0,0]=4 4046 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100011830276_100020667443 [0,0,0,0,0,2|1,0,1]=4 4047 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100011830276 [0,0,0,0,0,2|1,0,1]=4 4048 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [0,0,0,0,0,2|2,0,0]=4 4049 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [0,0,0,0,0,2|2,0,0]=4 4050 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [0,0,0,0,0,2|2,0,0]=4 4051 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [0,0,0,0,0,2|2,0,0]=4 4052 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 2230a_100000742311_100000747473 [0,0,0,0,0,2|2,0,0]=4 4053 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 34a_100000742311_100000187820 [0,0,0,0,0,2|2,0,0]=4 4054 B14R1.42 COc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000742311_100020667443 [0,0,0,0,0,2|1,0,1]=4 4055 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 34a_100012186310_100000187820 [0,0,0,0,0,2|2,0,0]=4 4056 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 7a_100012186310_100000187820 [0,0,0,0,0,2|2,0,0]=4 4057 B14R1.42 COc1cc(ccc1Cl)OCC(=O)[O-] 34a_100012186310_100020667443 [0,0,0,0,0,2|1,0,1]=4 4058 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100011356853 [0,0,0,0,0,2|2,0,0]=4 4059 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100011356853_100000747473 [0,0,0,0,0,2|2,0,0]=4 4060 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100011356853_100020667443 [0,0,0,0,0,2|1,0,1]=4 4061 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100011356853 [0,0,0,0,0,2|1,0,1]=4 4062 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [0,0,0,0,0,2|2,0,0]=4 4063 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [0,0,0,0,0,2|2,0,0]=4 4064 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [0,0,0,0,0,2|2,0,0]=4 4065 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [0,0,0,0,0,2|2,0,0]=4 4066 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [0,0,0,0,0,2|2,0,0]=4 4067 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [0,0,0,0,0,2|2,0,0]=4 4068 B14R1.42 COc1cc(ccc1F)NCC(=O)N 2230a_100000701188_100000747473 [0,0,0,0,0,2|2,0,0]=4 4069 B14R1.42 COc1cc(ccc1F)NCC(=O)N 34a_100000701188_100000187820 [0,0,0,0,0,2|2,0,0]=4 4070 B14R1.42 COc1cc(ccc1F)NCC(=O)[O-] 34a_100000701188_100020667443 [0,0,0,0,0,2|1,0,1]=4 4071 B14R1.42 COc1cc(ccc1F)NNC(=O)C 22a_102515433066_100000070787 [0,0,0,0,0,2|2,0,0]=4 4072 B14R1.42 COc1cc(ccc1F)OCC(=O)N 34a_100012001760_100000187820 [0,0,0,0,0,2|2,0,0]=4 4073 B14R1.42 COc1cc(ccc1F)OCC(=O)N 7a_100012001760_100000187820 [0,0,0,0,0,2|2,0,0]=4 4074 B14R1.42 COc1cc(ccc1F)OCC(=O)[O-] 34a_100012001760_100020667443 [0,0,0,0,0,2|1,0,1]=4 4075 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011934186 [0,0,0,0,0,2|2,0,0]=4 4076 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100011934186_100000747473 [0,0,0,0,0,2|2,0,0]=4 4077 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100011934186_100020667443 [0,0,0,0,0,2|1,0,1]=4 4078 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011934186 [0,0,0,0,0,2|1,0,1]=4 4079 B14R1.42 COc1cc(ccc1I)NCC(=O)N 34a_100000746945_100000187820 [0,0,0,0,0,2|2,0,0]=4 4080 B14R1.42 COc1cc(ccc1I)NCC(=O)[O-] 34a_100000746945_100020667443 [0,0,0,0,0,2|1,0,1]=4 4081 B14R1.42 COc1cc(ccc1N)OCC(=O)N 34a_100015326901_100000187820 [0,0,0,0,0,2|2,0,0]=4 4082 B14R1.42 COc1cc(ccc1N)OCC(=O)N 7a_100015326901_100000187820 [0,0,0,0,0,2|2,0,0]=4 4083 B14R1.42 COc1cc(ccc1N)OCC(=O)[O-] 34a_100015326901_100020667443 [0,0,0,0,0,2|1,0,1]=4 4084 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100000747473_100015196925 [0,0,0,0,0,2|2,0,0]=4 4085 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100011279103_100000747473 [0,0,0,0,0,2|2,0,0]=4 4086 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100011279103_100020667443 [0,0,0,0,0,2|1,0,1]=4 4087 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100015196925 [0,0,0,0,0,2|1,0,1]=4 4088 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,0,0,0,0,2|1,0,0]=3 4089 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,0,0,0,0,2|1,0,0]=3 4090 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,0,0,0,0,2|1,0,1]=4 4091 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [0,0,0,0,0,2|1,0,0]=3 4092 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [0,0,0,0,0,2|1,0,0]=3 4093 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [0,0,0,0,0,2|1,0,0]=3 4094 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [0,0,0,0,0,2|1,0,0]=3 4095 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [0,0,0,0,0,2|1,0,0]=3 4096 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [0,0,0,0,0,2|1,0,0]=3 4097 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [0,0,0,0,0,2|1,0,0]=3 4098 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [0,0,0,0,0,2|0,0,1]=3 4099 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [0,0,0,0,0,2|1,0,1]=4 4100 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [0,0,0,0,0,2|1,0,1]=4 4101 B14R1.42 COc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000726020_100000761209 [0,0,0,0,0,2|1,0,1]=4 4102 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [0,0,0,0,0,2|1,0,0]=3 4103 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [0,0,0,0,0,2|0,0,1]=3 4104 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [0,0,0,0,0,2|1,0,1]=4 4105 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [0,0,0,0,0,2|1,0,1]=4 4106 B14R1.42 COc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010893133 [0,0,0,0,0,2|2,0,0]=4 4107 B14R1.42 COc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010893133 [0,0,0,0,0,2|1,0,1]=4