0 B11R1.280 C#Cc1ccc(c(c1)NC)C 2230a_100012022948_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 C#Cc1ccc(c(c1)NC)C 34a_100012022948_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.280 C#Cc1ccc(c(c1)NC)C 7a_100012022948_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 C#Cc1ccc(c(c1)NC)F 34a_100000100531_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 2230a_100012022948_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 34a_100012022948_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 7a_100012022948_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])F 34a_100000100531_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.280 C=Cc1cc(ccc1C)CO 271570a_100011290941_100000050133 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.280 C=Cc1cc(ccc1F)CC 271570a_100011290941_200010244628 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.280 C=Cc1cc(ccc1F)CN 271570a_100011290941_100015193890 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.280 C=Cc1cc(ccc1F)CO 271570a_100011290941_100000246287 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.280 C=Cc1cc(ccc1N)CC 271570a_100011290941_100012339725 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.280 C=Cc1cc(ccc1O)C#N 271570a_100011290941_100000725478 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [0,0,0,0,0,0|1,0,3]=4 19 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [0,0,0,0,0,0|1,0,1]=2 21 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.280 C=Cc1cc(cnc1Cl)CO 271570a_100011290941_200015217190 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.280 C=Cc1cc(cnc1N)CO 271570a_100011290941_100012343677 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.280 C=Cc1cc(ncc1C)CO 271570a_100011290941_100010113723 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [0,0,0,0,0,0|1,0,1]=2 42 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [0,0,0,0,0,0|2,1,1]=4 43 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.280 C=Cc1nc(ccc1O)CO 271570a_100011290941_200000118097 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [0,0,0,0,0,0|2,0,1]=3 73 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [0,0,0,0,0,0|1,0,0]=1 87 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [0,0,0,0,0,0|2,1,0]=3 90 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [0,0,0,0,0,0|2,1,0]=3 91 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [0,0,0,0,0,0|2,1,0]=3 92 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [0,0,0,0,0,0|2,1,0]=3 93 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [0,0,0,0,0,0|1,1,0]=2 94 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [0,0,0,0,0,0|1,1,0]=2 95 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [0,0,0,0,0,0|2,1,0]=3 96 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [0,0,0,0,0,0|2,1,0]=3 97 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [0,0,0,0,0,0|2,1,0]=3 98 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [0,0,0,0,0,0|2,1,0]=3 99 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [0,0,0,0,0,0|1,1,0]=2 100 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [0,0,0,0,0,0|1,1,0]=2 101 B11R1.280 CNc1cc(ccc1Br)C#N 34a_100012001879_200000210301 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.280 CNc1cc(ccc1Br)C#N 7a_100012001879_200000210301 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.280 CNc1cc(ccc1C)C#N 34a_100000748024_200000210301 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.280 CNc1cc(ccc1C)C#N 7a_100000748024_200000210301 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [0,0,0,0,0,0|2,0,0]=2 109 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.280 CNc1cc(ccc1Cl)C#N 34a_100000766345_200000210301 [0,0,0,0,0,0|3,0,1]=4 116 B11R1.280 CNc1cc(ccc1Cl)C#N 7a_100000766345_200000210301 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.280 CNc1cc(ccc1F)C#N 34a_100011934650_200000210301 [0,0,0,0,0,0|3,0,1]=4 120 B11R1.280 CNc1cc(ccc1F)C#N 7a_100011934650_200000210301 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.280 CNc1cc(ccc1F)SC 62a_100011314990_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.280 CNc1cc(ccc1F)SC 62a_200000210301_100011314990 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_100011314990_200025704644 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_200025704644_100011314990 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.280 CNc1cc(ccc1I)C#N 34a_200012349464_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B11R1.280 CNc1cc(ccc1I)C#N 7a_200012349464_200000210301 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.280 CNc1cc(ccc1N)SC 62a_100000694363_200000210301 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.280 CNc1cc(ccc1N)S[13CH3] 62a_100000694363_200025704644 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [0,0,0,0,0,0|2,0,1]=3 134 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [0,0,0,0,0,0|2,0,1]=3 135 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [0,0,0,0,0,0|1,0,0]=1 136 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [0,0,0,0,0,0|3,0,0]=3 147 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [0,0,0,0,0,0|2,0,0]=2 148 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [0,0,0,0,0,0|3,1,0]=4 149 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [0,0,0,0,0,0|3,1,0]=4 150 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [0,0,0,0,0,0|3,1,0]=4 151 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [0,0,0,0,0,0|3,1,0]=4 152 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.280 COc1cc(c[nH]c1=O)SC 62a_200000210301_100010125397 [0,0,0,0,0,0|3,0,1]=4 156 B11R1.280 COc1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100010125397 [0,0,0,0,0,0|3,0,1]=4 157 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [0,0,0,0,0,0|2,0,1]=3 158 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [0,0,0,0,0,0|2,0,1]=3 159 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [0,0,0,0,0,0|1,0,0]=1 160 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [0,0,0,0,0,0|1,0,0]=1 161 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [0,0,0,0,0,0|2,0,1]=3 170 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [0,0,0,0,0,0|2,0,1]=3 171 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [0,0,0,0,0,0|3,0,0]=3 174 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [0,0,0,0,0,0|3,0,0]=3 179 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [0,0,0,0,0,0|2,0,1]=3 180 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [0,0,0,0,0,0|2,0,1]=3 181 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [0,0,0,0,0,0|2,0,0]=2 182 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [0,0,0,0,0,0|1,0,0]=1 183 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [0,0,0,0,0,0|1,0,0]=1 184 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [0,0,0,0,0,0|3,0,0]=3 185 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [0,0,0,0,0,0|3,0,0]=3 186 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [0,0,0,0,0,0|3,0,0]=3 190 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [0,0,0,0,0,0|3,0,0]=3 191 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [0,0,0,0,0,0|3,0,0]=3 192 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [0,0,0,0,0,0|2,0,1]=3 193 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [0,0,0,0,0,0|2,0,1]=3 194 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [0,0,0,0,0,0|2,0,0]=2 195 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [0,0,0,0,0,0|1,0,0]=1 196 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [0,0,0,0,0,0|1,0,0]=1 197 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [0,0,0,0,0,0|3,0,0]=3 198 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [0,0,0,0,0,0|3,0,0]=3 199 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [0,0,0,0,0,0|3,0,0]=3 201 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [0,0,0,0,0,0|3,0,0]=3 202 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [0,0,0,0,0,0|3,0,0]=3 203 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [0,0,0,0,0,0|3,0,0]=3 204 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [0,0,0,0,0,0|3,0,0]=3 205 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [0,0,0,0,0,0|2,0,1]=3 206 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [0,0,0,0,0,0|2,0,1]=3 207 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [0,0,0,0,0,0|1,0,0]=1 208 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [0,0,0,0,0,0|1,0,0]=1 209 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [0,0,0,0,0,0|3,0,0]=3 210 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [0,0,0,0,0,0|2,0,1]=3 211 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [0,0,0,0,0,0|2,0,1]=3 212 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [0,0,0,0,0,0|3,0,0]=3 213 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [0,0,0,0,0,0|3,0,0]=3 214 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [0,0,0,0,0,0|3,0,0]=3 215 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [0,0,0,0,0,0|3,0,0]=3 216 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [0,0,0,0,0,0|3,0,0]=3 217 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [0,0,0,0,0,0|1,0,1]=2 219 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [0,0,0,0,0,0|0,0,2]=2 220 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [0,0,0,0,0,0|0,0,0]=0 221 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [0,0,0,0,0,0|2,0,0]=2 222 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [0,0,0,0,0,0|2,0,0]=2 223 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [0,0,0,0,0,0|2,0,0]=2 224 B11R1.280 COc1cc(cnc1C)SC 62a_100010254219_200000210301 [0,0,0,0,0,0|4,0,0]=4 225 B11R1.280 COc1cc(cnc1C)SC 62a_200000210301_100010254219 [0,0,0,0,0,0|4,0,0]=4 226 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_100010254219_200025704644 [0,0,0,0,0,0|4,0,0]=4 227 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_200025704644_100010254219 [0,0,0,0,0,0|4,0,0]=4 228 B11R1.280 COc1cc(cnc1F)SC 62a_100010214931_200000210301 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.280 COc1cc(cnc1F)SC 62a_200000210301_100010214931 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_100010214931_200025704644 [0,0,0,0,0,0|4,0,0]=4 231 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_200025704644_100010214931 [0,0,0,0,0,0|4,0,0]=4 232 B11R1.280 COc1cc(cnc1N)SC 62a_106354213024_200000210301 [0,0,0,0,0,0|4,0,0]=4 233 B11R1.280 COc1cc(cnc1N)SC 62a_200000210301_106354213024 [0,0,0,0,0,0|4,0,0]=4 234 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_106354213024_200025704644 [0,0,0,0,0,0|4,0,0]=4 235 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_200025704644_106354213024 [0,0,0,0,0,0|4,0,0]=4 236 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [0,0,0,0,0,0|2,0,1]=3 237 B11R1.280 COc1cc(ncc1C)SC 62a_100010067687_200000210301 [0,0,0,0,0,0|4,0,0]=4 238 B11R1.280 COc1cc(ncc1C)SC 62a_200000210301_100010067687 [0,0,0,0,0,0|4,0,0]=4 239 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_100010067687_200025704644 [0,0,0,0,0,0|4,0,0]=4 240 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_200025704644_100010067687 [0,0,0,0,0,0|4,0,0]=4 241 B11R1.280 COc1cc(ncc1F)SC 62a_200000210301_200010136270 [0,0,0,0,0,0|4,0,0]=4 242 B11R1.280 COc1cc(ncc1F)SC 62a_200010136270_200000210301 [0,0,0,0,0,0|4,0,0]=4 243 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200010136270_200025704644 [0,0,0,0,0,0|4,0,0]=4 244 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200025704644_200010136270 [0,0,0,0,0,0|4,0,0]=4 245 B11R1.280 COc1cc(ncc1N)SC 62a_100009887741_200000210301 [0,0,0,0,0,0|4,0,0]=4 246 B11R1.280 COc1cc(ncc1N)SC 62a_200000210301_100009887741 [0,0,0,0,0,0|4,0,0]=4 247 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_100009887741_200025704644 [0,0,0,0,0,0|4,0,0]=4 248 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_200025704644_100009887741 [0,0,0,0,0,0|4,0,0]=4 249 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [0,0,0,0,0,0|2,0,1]=3 250 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [0,0,0,0,0,0|1,0,0]=1 251 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [0,0,0,0,0,0|4,0,0]=4 252 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [0,0,0,0,0,0|4,0,0]=4 253 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [0,0,0,0,0,0|4,0,0]=4 254 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [0,0,0,0,0,0|4,0,0]=4 255 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [0,0,0,0,0,0|4,0,0]=4 257 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [0,0,0,0,0,0|4,0,0]=4 258 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [0,0,0,0,0,0|4,0,0]=4 259 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [0,0,0,0,0,0|4,0,0]=4 260 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [0,0,0,0,0,0|4,0,0]=4 261 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [0,0,0,0,0,0|3,0,0]=3 262 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [0,0,0,0,0,0|3,0,0]=3 263 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [0,0,0,0,0,0|3,0,0]=3 264 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [0,0,0,0,0,0|3,0,0]=3 265 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [0,0,0,0,0,0|3,0,0]=3 266 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [0,0,0,0,0,0|3,0,0]=3 267 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [0,0,0,0,0,0|3,0,0]=3 268 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [0,0,0,0,0,0|3,0,0]=3 269 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [0,0,0,0,0,0|3,0,0]=3 270 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [0,0,0,0,0,0|3,0,0]=3 271 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [0,0,0,0,0,0|3,0,0]=3 272 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [0,0,0,0,0,0|3,0,0]=3 273 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [0,0,0,0,0,0|3,0,0]=3 274 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [0,0,0,0,0,0|3,0,0]=3 275 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [0,0,0,0,0,0|3,0,0]=3 276 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [0,0,0,0,0,0|3,0,0]=3 277 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [0,0,0,0,0,0|3,0,0]=3 278 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [0,0,0,0,0,0|3,0,0]=3 279 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [0,0,0,0,0,0|3,0,0]=3 280 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [0,0,0,0,0,0|3,0,0]=3 281 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [0,0,0,0,0,0|3,0,0]=3 282 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [0,0,0,0,0,0|3,0,0]=3 283 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [0,0,0,0,0,0|3,0,0]=3 284 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [0,0,0,0,0,0|2,0,0]=2 285 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [0,0,0,0,0,0|3,0,0]=3 286 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [0,0,0,0,0,0|3,0,0]=3 287 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [0,0,0,0,0,0|3,0,0]=3 288 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [0,0,0,0,0,0|3,0,0]=3 289 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [0,0,0,0,0,0|3,0,0]=3 290 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [0,0,0,0,0,0|3,0,0]=3 291 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [0,0,0,0,0,0|3,0,0]=3 292 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [0,0,0,0,0,0|3,0,0]=3 293 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [0,0,0,0,0,0|3,0,0]=3 294 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [0,0,0,0,0,0|3,0,0]=3 295 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [0,0,0,0,0,0|3,0,0]=3 296 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [0,0,0,0,0,0|3,0,0]=3 297 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [0,0,0,0,0,0|3,1,0]=4 298 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [0,0,0,0,0,0|3,1,0]=4 299 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [0,0,0,0,0,0|3,1,0]=4 300 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [0,0,0,0,0,0|3,1,0]=4 301 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [0,0,0,0,0,0|3,1,0]=4 302 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [0,0,0,0,0,0|3,1,0]=4 303 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [0,0,0,0,0,0|3,1,0]=4 304 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [0,0,0,0,0,0|3,1,0]=4 305 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [0,0,0,0,0,0|3,1,0]=4 306 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [0,0,0,0,0,0|3,1,0]=4 307 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [0,0,0,0,0,0|2,1,0]=3 308 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [0,0,0,0,0,0|3,1,0]=4 309 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [0,0,0,0,0,0|3,1,0]=4 310 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [0,0,0,0,0,0|3,1,0]=4 311 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [0,0,0,0,0,0|3,1,0]=4 312 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [0,0,0,0,0,0|3,1,0]=4 313 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [0,0,0,0,0,0|3,1,0]=4 314 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [0,0,0,0,0,0|3,1,0]=4 315 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [0,0,0,0,0,0|3,1,0]=4 316 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [0,0,0,0,0,0|3,1,0]=4 317 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [0,0,0,0,0,0|3,1,0]=4 318 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [0,0,0,0,0,0|2,1,0]=3 319 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [0,0,0,0,0,0|3,0,0]=3 320 B11R1.280 COc1nc(ccc1N)SC 62a_100000687816_200000210301 [0,0,0,0,0,0|4,0,0]=4 321 B11R1.280 COc1nc(ccc1N)SC 62a_200000210301_100000687816 [0,0,0,0,0,0|4,0,0]=4 322 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_100000687816_200025704644 [0,0,0,0,0,0|4,0,0]=4 323 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_200025704644_100000687816 [0,0,0,0,0,0|4,0,0]=4 324 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [0,0,0,0,0,0|3,0,0]=3 325 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [0,0,0,0,0,0|3,0,0]=3 326 B11R1.280 COc1nc(cnc1O)SC 62a_200000210301_200010365344 [0,0,0,0,0,0|4,0,0]=4 327 B11R1.280 COc1nc(cnc1O)SC 62a_200010365344_200000210301 [0,0,0,0,0,0|4,0,0]=4 328 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200010365344_200025704644 [0,0,0,0,0,0|4,0,0]=4 329 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200025704644_200010365344 [0,0,0,0,0,0|4,0,0]=4 330 B11R1.280 COc1nc(ncc1O)SC 271570a_203496583355_200011934731 [0,0,0,0,0,0|4,0,0]=4 331 B11R1.280 COc1ncc(c(n1)OC)O 271570a_203496583355_100011215025 [0,0,0,0,0,0|4,0,0]=4 332 B11R1.280 CSc1cc(ccc1Br)C#N 62a_200000210301_100012349583 [0,0,0,0,0,0|2,1,1]=4 333 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [0,0,0,0,0,0|1,1,2]=4 334 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [0,0,0,0,0,0|1,1,2]=4 335 B11R1.280 CSc1cc(ccc1C)C#N 62a_200000210301_100000690169 [0,0,0,0,0,0|2,1,1]=4 336 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [0,0,0,0,0,0|1,1,2]=4 337 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [0,0,0,0,0,0|1,1,2]=4 338 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [0,0,0,0,0,0|1,1,0]=2 339 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [0,0,0,0,0,0|1,1,0]=2 340 B11R1.280 CSc1cc(ccc1C)NN 62a_100016991967_200000210301 [0,0,0,0,0,0|3,1,0]=4 341 B11R1.280 CSc1cc(ccc1C)NN 62a_200000210301_100016991967 [0,0,0,0,0,0|3,1,0]=4 342 B11R1.280 CSc1cc(ccc1Cl)C#N 62a_200000210301_100010199462 [0,0,0,0,0,0|2,1,1]=4 343 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [0,0,0,0,0,0|1,1,2]=4 344 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [0,0,0,0,0,0|1,1,2]=4 345 B11R1.280 CSc1cc(ccc1F)C#N 62a_200000210301_100000188605 [0,0,0,0,0,0|2,1,1]=4 346 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [0,0,0,0,0,0|1,1,2]=4 347 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [0,0,0,0,0,0|1,1,2]=4 348 B11R1.280 CSc1cc(ccc1F)CN 62a_100015193890_200000210301 [0,0,0,0,0,0|2,1,0]=3 349 B11R1.280 CSc1cc(ccc1F)CN 62a_200000210301_100015193890 [0,0,0,0,0,0|2,1,0]=3 350 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [0,0,0,0,0,0|1,1,0]=2 351 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [0,0,0,0,0,0|1,1,0]=2 352 B11R1.280 CSc1cc(ccc1F)NN 62a_200000210301_200025705588 [0,0,0,0,0,0|3,1,0]=4 353 B11R1.280 CSc1cc(ccc1F)NN 62a_200025705588_200000210301 [0,0,0,0,0,0|3,1,0]=4 354 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_100010341305_200025704644 [0,0,0,0,0,0|3,1,0]=4 355 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_200025704644_100010341305 [0,0,0,0,0,0|3,1,0]=4 356 B11R1.280 CSc1cc(ccc1N)C#N 62a_200000210301_100000736769 [0,0,0,0,0,0|2,1,1]=4 357 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [0,0,0,0,0,0|1,1,1]=3 358 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [0,0,0,0,0,0|0,1,2]=3 359 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [0,0,0,0,0,0|0,1,2]=3 360 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [0,0,0,0,0,0|0,1,0]=1 361 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [0,0,0,0,0,0|0,1,0]=1 362 B11R1.280 CSc1cc(cnc1Cl)CO 62a_200000210301_200015217190 [0,0,0,0,0,0|2,1,0]=3 363 B11R1.280 CSc1cc(cnc1Cl)CO 62a_200015217190_200000210301 [0,0,0,0,0,0|2,1,0]=3 364 B11R1.280 CSc1cc(cnc1N)CO 62a_100012343677_200000210301 [0,0,0,0,0,0|2,1,0]=3 365 B11R1.280 CSc1cc(cnc1N)CO 62a_200000210301_100012343677 [0,0,0,0,0,0|2,1,0]=3 366 B11R1.280 CSc1cc(cnc1O)C#N 62a_200000210301_100009819929 [0,0,0,0,0,0|2,1,1]=4 367 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [0,0,0,0,0,0|1,1,2]=4 368 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [0,0,0,0,0,0|1,1,2]=4 369 B11R1.280 CSc1cc(ncc1C)CO 62a_100010113723_200000210301 [0,0,0,0,0,0|2,1,0]=3 370 B11R1.280 CSc1cc(ncc1C)CO 62a_200000210301_100010113723 [0,0,0,0,0,0|2,1,0]=3 371 B11R1.280 CSc1ccc(c(c1)C#N)O 62a_200000210301_100000687585 [0,0,0,0,0,0|4,0,0]=4 372 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [0,0,0,0,0,0|4,0,0]=4 373 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [0,0,0,0,0,0|4,0,0]=4 374 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [0,0,0,0,0,0|4,0,0]=4 375 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [0,0,0,0,0,0|4,0,0]=4 376 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [0,0,0,0,0,0|4,0,0]=4 377 B11R1.280 CSc1ccc(c(c1)SC)F 62a_100010341305_200000210301 [0,0,0,0,0,0|3,1,0]=4 378 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_100010341305 [0,0,0,0,0,0|3,1,0]=4 379 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_200010708804 [0,0,0,0,0,0|3,1,0]=4 380 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200010708804_200000210301 [0,0,0,0,0,0|3,1,0]=4 381 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200010708804_200025704644 [0,0,0,0,0,0|3,1,0]=4 382 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010708804 [0,0,0,0,0,0|3,1,0]=4 383 B11R1.280 CSc1nc(ccc1O)CO 62a_200000210301_200000118097 [0,0,0,0,0,0|1,1,0]=2 384 B11R1.280 CSc1nc(ccc1O)CO 62a_200009817064_200000210301 [0,0,0,0,0,0|1,1,0]=2 385 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 34a_100000748024_200025704644 [0,0,0,0,0,0|3,0,1]=4 386 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 7a_100000748024_200025704644 [0,0,0,0,0,0|3,0,1]=4 387 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [0,0,0,0,0,0|2,0,0]=2 388 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [0,0,0,0,0,0|2,0,0]=2 389 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [0,0,0,0,0,0|2,0,1]=3 390 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [0,0,0,0,0,0|2,0,1]=3 391 B11R1.280 Cc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000690169 [0,0,0,0,0,0|2,1,1]=4 392 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [0,0,0,0,0,0|1,1,2]=4 393 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [0,0,0,0,0,0|1,1,2]=4 394 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [0,0,0,0,0,0|1,1,0]=2 395 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [0,0,0,0,0,0|1,1,0]=2 396 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_100016991967_200025704644 [0,0,0,0,0,0|3,1,0]=4 397 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_200025704644_100016991967 [0,0,0,0,0,0|3,1,0]=4 398 B11R1.280 Cc1cnc(cc1S[13CH3])CO 62a_100010113723_200025704644 [0,0,0,0,0,0|2,1,0]=3 399 B11R1.280 Cc1cnc(cc1S[13CH3])CO 62a_200025704644_100010113723 [0,0,0,0,0,0|2,1,0]=3 400 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [0,0,0,0,0,0|2,0,2]=4 401 B11R1.280 N#Cc1cc(ccc1O)CN 271570a_203496583355_100009846983 [0,0,0,0,0,0|3,0,0]=3 402 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [0,0,0,0,0,0|2,0,0]=2 403 B11R1.280 N#Cc1ccc(c(c1)C#N)O 271570a_203496583355_100009995534 [0,0,0,0,0,0|3,0,1]=4 404 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [0,0,0,0,0,0|3,0,1]=4 405 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [0,0,0,0,0,0|3,0,1]=4 406 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [0,0,0,0,0,0|2,0,2]=4 407 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 34a_100012001879_200025704644 [0,0,0,0,0,0|3,0,1]=4 408 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 7a_100012001879_200025704644 [0,0,0,0,0,0|3,0,1]=4 409 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [0,0,0,0,0,0|2,0,0]=2 410 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 34a_100000766345_200025704644 [0,0,0,0,0,0|3,0,1]=4 411 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 7a_100000766345_200025704644 [0,0,0,0,0,0|3,0,1]=4 412 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [0,0,0,0,0,0|2,0,0]=2 413 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 34a_100011934650_200025704644 [0,0,0,0,0,0|3,0,1]=4 414 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 7a_100011934650_200025704644 [0,0,0,0,0,0|3,0,1]=4 415 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [0,0,0,0,0,0|2,0,0]=2 416 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [0,0,0,0,0,0|2,0,0]=2 417 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 34a_200012349464_200025704644 [0,0,0,0,0,0|3,0,1]=4 418 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 7a_200012349464_200025704644 [0,0,0,0,0,0|3,0,1]=4 419 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [0,0,0,0,0,0|2,0,1]=3 420 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [0,0,0,0,0,0|2,0,1]=3 421 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [0,0,0,0,0,0|1,0,0]=1 422 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [0,0,0,0,0,0|4,0,0]=4 423 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [0,0,0,0,0,0|2,0,1]=3 424 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [0,0,0,0,0,0|2,0,1]=3 425 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [0,0,0,0,0,0|1,0,0]=1 426 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [0,0,0,0,0,0|1,0,0]=1 427 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [0,0,0,0,0,0|2,0,1]=3 428 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [0,0,0,0,0,0|2,0,1]=3 429 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [0,0,0,0,0,0|2,0,0]=2 430 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [0,0,0,0,0,0|1,0,0]=1 431 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [0,0,0,0,0,0|1,0,0]=1 432 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [0,0,0,0,0,0|2,0,1]=3 433 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [0,0,0,0,0,0|2,0,1]=3 434 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [0,0,0,0,0,0|2,0,0]=2 435 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [0,0,0,0,0,0|1,0,0]=1 436 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [0,0,0,0,0,0|1,0,0]=1 437 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [0,0,0,0,0,0|2,0,1]=3 438 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [0,0,0,0,0,0|2,0,1]=3 439 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [0,0,0,0,0,0|1,0,0]=1 440 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [0,0,0,0,0,0|1,0,0]=1 441 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [0,0,0,0,0,0|2,0,1]=3 442 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [0,0,0,0,0,0|2,0,1]=3 443 B11R1.280 [13CH3]Sc1cc(ccc1Br)C#N 62a_200025704644_100012349583 [0,0,0,0,0,0|2,1,1]=4 444 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [0,0,0,0,0,0|1,1,2]=4 445 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [0,0,0,0,0,0|1,1,2]=4 446 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C#N 62a_200025704644_100010199462 [0,0,0,0,0,0|2,1,1]=4 447 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [0,0,0,0,0,0|1,1,2]=4 448 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [0,0,0,0,0,0|1,1,2]=4 449 B11R1.280 [13CH3]Sc1cc(ccc1F)C#N 62a_200025704644_100000188605 [0,0,0,0,0,0|2,1,1]=4 450 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [0,0,0,0,0,0|1,1,2]=4 451 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [0,0,0,0,0,0|1,1,2]=4 452 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_100015193890_200025704644 [0,0,0,0,0,0|2,1,0]=3 453 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_200025704644_100015193890 [0,0,0,0,0,0|2,1,0]=3 454 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [0,0,0,0,0,0|1,1,0]=2 455 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [0,0,0,0,0,0|1,1,0]=2 456 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025704644_200025705588 [0,0,0,0,0,0|3,1,0]=4 457 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025705588_200025704644 [0,0,0,0,0,0|3,1,0]=4 458 B11R1.280 [13CH3]Sc1cc(ccc1N)C#N 62a_200025704644_100000736769 [0,0,0,0,0,0|2,1,1]=4 459 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [0,0,0,0,0,0|1,1,1]=3 460 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [0,0,0,0,0,0|0,1,2]=3 461 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [0,0,0,0,0,0|0,1,2]=3 462 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [0,0,0,0,0,0|0,1,0]=1 463 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [0,0,0,0,0,0|0,1,0]=1 464 B11R1.280 [13CH3]Sc1cc(cnc1Cl)CO 62a_200015217190_200025704644 [0,0,0,0,0,0|2,1,0]=3 465 B11R1.280 [13CH3]Sc1cc(cnc1Cl)CO 62a_200025704644_200015217190 [0,0,0,0,0,0|2,1,0]=3 466 B11R1.280 [13CH3]Sc1cc(cnc1N)CO 62a_100012343677_200025704644 [0,0,0,0,0,0|2,1,0]=3 467 B11R1.280 [13CH3]Sc1cc(cnc1N)CO 62a_200025704644_100012343677 [0,0,0,0,0,0|2,1,0]=3 468 B11R1.280 [13CH3]Sc1cc(cnc1O)C#N 62a_200025704644_100009819929 [0,0,0,0,0,0|2,1,1]=4 469 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [0,0,0,0,0,0|1,1,2]=4 470 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [0,0,0,0,0,0|1,1,2]=4 471 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)O 62a_200025704644_100000687585 [0,0,0,0,0,0|4,0,0]=4 472 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [0,0,0,0,0,0|4,0,0]=4 473 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [0,0,0,0,0,0|4,0,0]=4 474 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [0,0,0,0,0,0|4,0,0]=4 475 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [0,0,0,0,0,0|4,0,0]=4 476 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [0,0,0,0,0,0|4,0,0]=4 477 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200009817064_200025704644 [0,0,0,0,0,0|1,1,0]=2 478 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200025704644_200000118097 [0,0,0,0,0,0|1,1,0]=2 479 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,0,0,0,0,0|2,0,1]=4 480 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,0,0,0,0,0|2,0,1]=4 481 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,0,0,0,0,0|2,0,1]=4 482 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,0,0,0,0,0|2,0,1]=4 483 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,0,0,0,0,0|2,0,1]=4 484 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,0,0,0,0,0|2,0,1]=4 485 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,0,0,0,0,0|2,0,1]=4 486 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,0,0,0,0,0|2,0,1]=4 487 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,0,0,0,0,0|2,0,1]=4 488 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,0,0,0,0,0|2,0,1]=4 489 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,0,0,0,0,0|2,0,1]=4 490 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,0,0,0,0,0|1,0,1]=3 491 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,0,0,0,0,0|2,0,1]=4 492 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,0,0,0,0,0|2,0,1]=4 493 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,0,0,0,0,0|2,0,1]=4 494 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,0,0,0,0,0|1,0,1]=3 495 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [1,0,0,0,0,0|2,0,1]=4 496 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [1,0,0,0,0,0|2,0,1]=4 497 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [1,0,0,0,0,0|2,0,1]=4 498 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,0,0,0,0,0|2,0,0]=3 499 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,0,0,0,0,0|2,0,0]=3 500 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,0,0,0,0,0|2,0,0]=3 501 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,0,0,0,0,0|2,0,0]=3 502 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,0,0,0,0,0|2,0,0]=3 503 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,0,0,0,0,0|1,0,0]=2 504 B10R1.30 CCc1nc(ccc1N)O 271570a_203496583355_100009871203 [1,0,0,0,0,0|3,0,0]=4 505 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [1,0,0,0,0,0|2,0,1]=4 506 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,0,0,0,0,0|3,0,0]=4 507 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,0,0,0,0,0|2,0,0]=3 508 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,0,0,0,0,0|3,0,0]=4 509 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,0,0,0,0,0|3,0,0]=4 510 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,0,0,0,0,0|2,0,0]=3 511 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,0,0,0,0,0|3,0,0]=4 512 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,0,0,0,0,0|3,0,0]=4 513 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,0,0,0,0,0|2,0,0]=3 514 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,0,0,0,0,0|2,0,0]=3 515 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,0,0,0,0,0|2,0,0]=3 516 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,0,0,0,0,0|3,0,0]=4 517 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,0,0,0,0,0|3,0,0]=4 518 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,0,0,0,0,0|3,0,0]=4 519 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,0,0,0,0,0|3,0,0]=4 520 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,0,0,0,0,0|3,0,0]=4 521 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,0,0,0,0,0|2,0,0]=3 522 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,0,0,0,0,0|2,0,0]=3 523 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,0,0,0,0,0|2,0,0]=3 525 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,0,0,0,0,0|2,0,0]=3 529 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,0,0,0,0,0|3,0,0]=4 530 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,0,0,0,0,0|2,0,0]=3 531 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,0,0,0,0,0|3,0,0]=4 534 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,0,0,0,0,0|2,0,0]=3 535 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,0,0,0,0,0|2,0,0]=3 536 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,0,0,0,0,0|3,0,0]=4 537 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,0,0,0,0,0|2,0,0]=3 538 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,0,0,0,0,0|2,0,0]=3 541 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,0,0,0,0,0|2,0,0]=3 542 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,0,0,0,0,0|1,0,0]=2 543 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,0,0,0,0|2,0,0]=3 544 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,0,0,0,0,0|2,0,0]=3 545 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,0,0,0,0,0|2,0,0]=3 546 B10R1.30 CNc1cc(cnc1F)C 27a_100102657272_100009820679 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.30 CNc1cc(cnc1N)O 271570a_203496583355_100010506235 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.30 CNc1cc(ncc1F)C 27a_100102657272_100009867690 [1,0,0,0,0,0|3,0,0]=4 549 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,0,0,0,0,0|2,0,1]=4 550 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [1,0,0,0,0,0|1,0,1]=3 551 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,0,0,0,0,0|2,0,0]=3 553 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,0,0,0,0,0|1,0,0]=2 554 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,0,0,0,0,0|1,0,0]=2 555 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,0,0,0,0,0|2,0,0]=3 556 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,0,0,0,0,0|2,0,0]=3 557 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,0,0,0,0,0|2,0,0]=3 558 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,0,0,0,0,0|2,0,0]=3 559 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,0,0,0,0,0|2,0,0]=3 560 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,0,0,0,0,0|2,0,0]=3 561 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,0,0,0,0,0|1,0,0]=2 562 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,0,0,0,0,0|2,0,0]=3 563 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,0,0,0,0,0|2,0,0]=3 564 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,0,0,0,0,0|1,0,0]=2 565 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,0,0,0,0,0|1,0,0]=2 566 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,0,0,0,0,0|2,0,0]=3 567 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,0,0,0,0,0|2,0,0]=3 568 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,0,0,0,0,0|2,0,0]=3 569 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,0,0,0,0,0|2,0,0]=3 570 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,0,0,0,0,0|2,0,0]=3 571 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,0,0,0,0,0|2,0,0]=3 572 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,0,0,0,0,0|2,0,0]=3 573 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,0,0,0,0,0|1,0,0]=2 574 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,0,0,0,0,0|2,0,0]=3 576 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,0,0,0,0,0|1,0,0]=2 577 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,0,0,0,0,0|1,0,0]=2 578 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,0,0,0,0,0|2,0,0]=3 581 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,0,0,0,0,0|2,0,0]=3 582 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,0,0,0,0,0|2,0,0]=3 583 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,0,0,0,0,0|2,0,0]=3 584 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,0,0,0,0,0|2,0,0]=3 585 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,0,0,0,0,0|1,0,0]=2 586 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,0,0,0,0,0|2,0,0]=3 587 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,0,0,0,0,0|2,0,0]=3 588 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,0,0,0,0,0|1,0,0]=2 589 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,0,0,0,0,0|1,0,0]=2 590 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,0,0,0,0,0|2,0,0]=3 593 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,0,0,0,0,0|2,0,0]=3 594 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,0,0,0,0,0|1,0,0]=2 599 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,0,0,0,0,0|2,0,0]=3 600 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,0,0,0,0,0|2,0,0]=3 601 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,0,0,0,0,0|2,0,0]=3 602 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,0,0,0,0,0|2,0,0]=3 603 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,0,0,0,0,0|2,0,0]=3 604 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,0,0,0,0,0|2,0,0]=3 605 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,0,0,0,0,0|2,0,0]=3 606 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,0,0,0,0,0|2,0,0]=3 607 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,0,0,0,0,0|1,0,0]=2 608 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,0,0,0,0,0|1,0,0]=2 609 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,0,0,0,0,0|2,0,0]=3 610 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,0,0,0,0,0|2,0,0]=3 611 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,0,0,0,0,0|2,0,0]=3 612 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,0,0,0,0,0|2,0,0]=3 613 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,0,0,0,0,0|2,0,0]=3 614 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,0,0,0,0,0|2,0,0]=3 615 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,0,0,0,0,0|2,0,0]=3 616 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,0,0,0,0,0|1,0,0]=2 617 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,0,0,0,0|1,0,0]=2 618 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,0,0,0,0|0,0,0]=1 619 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,0,0,0,0|1,0,0]=2 620 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,0,0,0,0|1,0,0]=2 621 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,0,0,0,0|1,0,0]=2 622 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,0,0,0,0|0,0,0]=1 623 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,0,0,0,0|0,0,0]=1 624 B10R1.30 COc1cc(cnc1Br)Cl 34a_100000697010_200000210301 [1,0,0,0,0,0|3,0,0]=4 625 B10R1.30 COc1cc(cnc1Br)Cl 7a_100000697010_200000210301 [1,0,0,0,0,0|3,0,0]=4 626 B10R1.30 COc1cc(cnc1Br)F 34a_100009820119_200000210301 [1,0,0,0,0,0|3,0,0]=4 627 B10R1.30 COc1cc(cnc1Br)F 7a_100009820119_200000210301 [1,0,0,0,0,0|3,0,0]=4 628 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,0,0,0,0,0|3,0,0]=4 629 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,0,0,0,0,0|2,0,0]=3 631 B10R1.30 COc1cc(cnc1Cl)Br 34a_100012354860_200000210301 [1,0,0,0,0,0|3,0,0]=4 632 B10R1.30 COc1cc(cnc1Cl)Br 7a_100012354860_200000210301 [1,0,0,0,0,0|3,0,0]=4 633 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,0,0,0,0,0|2,0,0]=3 634 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,0,0,0,0,0|2,0,0]=3 635 B10R1.30 COc1cc(cnc1Cl)F 34a_100000079967_200000210301 [1,0,0,0,0,0|3,0,0]=4 636 B10R1.30 COc1cc(cnc1Cl)F 7a_100000079967_200000210301 [1,0,0,0,0,0|3,0,0]=4 637 B10R1.30 COc1cc(cnc1F)Br 34a_100009819871_200000210301 [1,0,0,0,0,0|3,0,0]=4 638 B10R1.30 COc1cc(cnc1F)Br 7a_100009819871_200000210301 [1,0,0,0,0,0|3,0,0]=4 639 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,0,0,0,0,0|2,0,0]=3 640 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,0,0,0,0,0|2,0,0]=3 641 B10R1.30 COc1cc(cnc1F)Cl 34a_100000094372_200000210301 [1,0,0,0,0,0|3,0,0]=4 642 B10R1.30 COc1cc(cnc1F)Cl 7a_100000094372_200000210301 [1,0,0,0,0,0|3,0,0]=4 643 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [1,0,0,0,0,0|2,0,0]=3 644 B10R1.30 COc1cc(cnc1I)Br 34a_100010210634_200000210301 [1,0,0,0,0,0|3,0,0]=4 645 B10R1.30 COc1cc(cnc1I)Br 7a_100010210634_200000210301 [1,0,0,0,0,0|3,0,0]=4 646 B10R1.30 COc1cc(cnc1I)Cl 34a_100010233512_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B10R1.30 COc1cc(cnc1I)Cl 7a_100010233512_200000210301 [1,0,0,0,0,0|3,0,0]=4 648 B10R1.30 COc1cc(cnc1I)F 34a_100015624800_200000210301 [1,0,0,0,0,0|3,0,0]=4 649 B10R1.30 COc1cc(cnc1I)F 7a_100015624800_200000210301 [1,0,0,0,0,0|3,0,0]=4 650 B10R1.30 COc1cc(cnc1N)Br 34a_100009819042_200000210301 [1,0,0,0,0,0|3,0,0]=4 651 B10R1.30 COc1cc(cnc1N)Br 7a_100009819042_200000210301 [1,0,0,0,0,0|3,0,0]=4 652 B10R1.30 COc1cc(cnc1N)Cl 34a_100000123674_200000210301 [1,0,0,0,0,0|3,0,0]=4 653 B10R1.30 COc1cc(cnc1N)Cl 7a_100000123674_200000210301 [1,0,0,0,0,0|3,0,0]=4 654 B10R1.30 COc1cc(cnc1N)F 34a_100000094369_200000210301 [1,0,0,0,0,0|3,0,0]=4 655 B10R1.30 COc1cc(cnc1N)F 7a_100000094369_200000210301 [1,0,0,0,0,0|3,0,0]=4 656 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [1,0,0,0,0,0|2,0,0]=3 657 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,0,0,0,0,0|1,0,0]=2 658 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,0,0,0,0,0|2,0,0]=3 659 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,0,0,0,0,0|2,0,0]=3 660 B10R1.30 COc1cc(ncc1Br)Br 34a_100010235016_200000210301 [1,0,0,0,0,0|3,0,0]=4 661 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,0,0,0,0,0|2,0,0]=3 662 B10R1.30 COc1cc(ncc1Br)Cl 34a_100010173860_200000210301 [1,0,0,0,0,0|3,0,0]=4 663 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [1,0,0,0,0,0|3,0,0]=4 664 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [1,0,0,0,0,0|3,0,0]=4 665 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [1,0,0,0,0,0|2,0,0]=3 666 B10R1.30 COc1cc(ncc1Cl)Br 34a_100010173861_200000210301 [1,0,0,0,0,0|3,0,0]=4 667 B10R1.30 COc1cc(ncc1F)Br 34a_100009854642_200000210301 [1,0,0,0,0,0|3,0,0]=4 668 B10R1.30 COc1cc(ncc1F)Cl 34a_100009851168_200000210301 [1,0,0,0,0,0|3,0,0]=4 669 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [1,0,0,0,0,0|2,0,0]=3 670 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [1,0,0,0,0,0|2,0,0]=3 671 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,0,0,0,0,0|1,0,0]=2 672 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,0,0,0,0,0|2,0,0]=3 673 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,0,0,0,0,0|2,0,0]=3 674 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,0,0,0,0,0|2,0,0]=3 675 B10R1.30 COc1cc(nnc1N)O 271570a_203496583355_100000688033 [1,0,0,0,0,0|3,0,0]=4 676 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,0,0,0,0,0|2,0,0]=3 677 B10R1.30 COc1nc(ccc1F)Cl 34a_100010729010_200000210301 [1,0,0,0,0,0|3,0,0]=4 678 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,0,0,0,0,0|2,0,0]=3 679 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [1,0,0,0,0,0|2,0,0]=3 680 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,0,0,0,0,0|1,0,0]=2 681 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,0,0,0,0,0|2,0,0]=3 682 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,0,0,0,0,0|1,0,0]=2 683 B10R1.30 COc1nc(cnc1N)O 271570a_203496583355_100009816943 [1,0,0,0,0,0|3,0,0]=4 684 B10R1.30 COc1nc(cnc1O)Br 271570a_203496583355_100010214903 [1,0,0,0,0,0|3,0,0]=4 685 B10R1.30 COc1nc(cnc1O)N 271570a_203496583355_100010128448 [1,0,0,0,0,0|3,0,0]=4 686 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,0,0,0,0,0|2,0,0]=3 687 B10R1.30 COc1nc(ncc1C)O 271570a_203496583355_100012500371 [1,0,0,0,0,0|3,0,0]=4 688 B10R1.30 COc1nc(ncc1F)O 271570a_203496583355_100012183945 [1,0,0,0,0,0|3,0,0]=4 689 B10R1.30 COc1nc(ncc1N)O 271570a_203496583355_100012122185 [1,0,0,0,0,0|3,0,0]=4 690 B10R1.30 COc1nc(ncc1O)N 271570a_203496583355_100010240410 [1,0,0,0,0,0|3,0,0]=4 691 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,0,0,0,0,0|2,1,0]=4 692 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,0,0,0,0,0|2,1,0]=4 693 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,0,0,0,0,0|1,1,0]=3 694 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,0,0,0,0,0|1,1,0]=3 695 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,0,0,0,0,0|2,1,0]=4 696 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,0,0,0,0,0|2,1,0]=4 697 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,0,0,0,0,0|2,1,0]=4 698 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,0,0,0,0,0|2,1,0]=4 699 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,0,0,0,0,0|2,1,0]=4 700 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,0,0,0,0,0|2,1,0]=4 701 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,0,0,0,0,0|1,1,0]=3 702 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,0,0,0,0,0|1,1,0]=3 703 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,0,0,0,0,0|2,1,0]=4 704 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,0,0,0,0,0|2,1,0]=4 705 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,0,0,0,0,0|1,1,0]=3 706 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,0,0,0,0,0|1,1,0]=3 707 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,0,0,0,0,0|2,1,0]=4 708 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,0,0,0,0,0|2,1,0]=4 709 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,0,0,0,0,0|2,1,0]=4 710 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,0,0,0,0,0|2,1,0]=4 711 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,0,0,0,0,0|2,1,0]=4 712 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,0,0,0,0,0|2,1,0]=4 713 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,0,0,0,0,0|1,1,0]=3 714 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,0,0,0,0,0|1,1,0]=3 715 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,0,0,0,0,0|2,1,0]=4 716 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,0,0,0,0,0|2,1,0]=4 717 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,0,0,0,0,0|1,1,0]=3 718 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,0,0,0,0,0|1,1,0]=3 719 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,0,0,0,0,0|2,1,0]=4 720 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,0,0,0,0,0|2,1,0]=4 721 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,0,0,0,0,0|2,1,0]=4 722 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,0,0,0,0,0|2,1,0]=4 723 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,0,0,0,0,0|2,1,0]=4 724 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,0,0,0,0,0|2,1,0]=4 725 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,0,0,0,0,0|1,1,0]=3 726 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,0,0,0,0,0|1,1,0]=3 727 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,0,0,0,0,0|2,1,0]=4 728 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,0,0,0,0,0|2,1,0]=4 729 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,0,0,0,0,0|1,1,0]=3 730 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,0,0,0,0,0|1,1,0]=3 731 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,0,0,0,0,0|2,1,0]=4 732 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,0,0,0,0,0|2,1,0]=4 733 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,0,0,0,0,0|2,1,0]=4 734 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,0,0,0,0,0|2,1,0]=4 735 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,0,0,0,0,0|2,1,0]=4 736 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,0,0,0,0,0|2,1,0]=4 737 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,0,0,0,0,0|1,1,0]=3 738 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,0,0,0,0,0|1,1,0]=3 739 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,0,0,0,0,0|1,1,0]=3 740 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,0,0,0,0,0|2,1,0]=4 741 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,0,0,0,0,0|2,1,0]=4 742 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,0,0,0,0,0|1,1,0]=3 743 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,0,0,0,0,0|1,1,0]=3 744 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,0,0,0,0,0|2,1,0]=4 745 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,0,0,0,0,0|2,1,0]=4 746 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,0,0,0,0,0|2,1,0]=4 747 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,0,0,0,0,0|2,1,0]=4 748 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,0,0,0,0,0|2,1,0]=4 749 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,0,0,0,0,0|2,1,0]=4 750 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,0,0,0,0,0|1,1,0]=3 751 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,0,0,0,0,0|1,1,0]=3 752 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,0,0,0,0,0|1,1,0]=3 753 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,0,0,0,0,0|1,1,0]=3 754 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,0,0,0,0,0|0,1,0]=2 755 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,0,0,0,0,0|0,1,0]=2 756 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,0,0,0,0,0|0,1,0]=2 757 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,0,0,0,0|1,1,0]=3 758 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,0,0,0,0|1,1,0]=3 759 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,0,0,0,0,0|1,1,0]=3 760 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,0,0,0,0,0|1,1,0]=3 761 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,0,0,0,0,0|1,1,0]=3 762 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,0,0,0,0,0|1,1,0]=3 763 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,0,0,0,0,0|0,1,0]=2 764 B10R1.30 CSc1cc(cnc1C)C 62a_100009817436_200000210301 [1,0,0,0,0,0|2,1,0]=4 765 B10R1.30 CSc1cc(cnc1C)C 62a_200000210301_100009817436 [1,0,0,0,0,0|2,1,0]=4 766 B10R1.30 CSc1cc(cnc1C)O 62a_100009819603_200000210301 [1,0,0,0,0,0|2,1,0]=4 767 B10R1.30 CSc1cc(cnc1C)O 62a_200000210301_100009819603 [1,0,0,0,0,0|2,1,0]=4 768 B10R1.30 CSc1cc(cnc1Cl)C 62a_100010210167_200000210301 [1,0,0,0,0,0|2,1,0]=4 769 B10R1.30 CSc1cc(cnc1Cl)C 62a_200000210301_100010210167 [1,0,0,0,0,0|2,1,0]=4 770 B10R1.30 CSc1cc(cnc1F)C 62a_100000049784_200000210301 [1,0,0,0,0,0|2,1,0]=4 771 B10R1.30 CSc1cc(cnc1F)C 62a_200000210301_100000049784 [1,0,0,0,0,0|2,1,0]=4 772 B10R1.30 CSc1cc(cnc1F)O 62a_100009817267_200000210301 [1,0,0,0,0,0|2,1,0]=4 773 B10R1.30 CSc1cc(cnc1F)O 62a_200000210301_100009817267 [1,0,0,0,0,0|2,1,0]=4 774 B10R1.30 CSc1cc(cnc1N)C 62a_100000049664_200000210301 [1,0,0,0,0,0|2,1,0]=4 775 B10R1.30 CSc1cc(cnc1N)C 62a_200000210301_100000049664 [1,0,0,0,0,0|2,1,0]=4 776 B10R1.30 CSc1cc(cnc1O)Br 62a_100010197142_200000210301 [1,0,0,0,0,0|2,1,0]=4 777 B10R1.30 CSc1cc(cnc1O)Br 62a_200000210301_100010197142 [1,0,0,0,0,0|2,1,0]=4 778 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,0,0,0,0,0|1,1,0]=3 779 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,0,0,0,0,0|1,1,0]=3 780 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,0,0,0,0,0|1,1,0]=3 781 B10R1.30 CSc1cc(cnc1O)Cl 62a_100010188700_200000210301 [1,0,0,0,0,0|2,1,0]=4 782 B10R1.30 CSc1cc(cnc1O)Cl 62a_200000210301_100010188700 [1,0,0,0,0,0|2,1,0]=4 783 B10R1.30 CSc1cc(ncc1C)C 62a_100009862788_200000210301 [1,0,0,0,0,0|2,1,0]=4 784 B10R1.30 CSc1cc(ncc1C)C 62a_200000210301_100009862788 [1,0,0,0,0,0|2,1,0]=4 785 B10R1.30 CSc1cc(ncc1C)O 62a_100009831917_200000210301 [1,0,0,0,0,0|2,1,0]=4 786 B10R1.30 CSc1cc(ncc1C)O 62a_200000210301_100009831917 [1,0,0,0,0,0|2,1,0]=4 787 B10R1.30 CSc1cc(ncc1F)C 62a_100009867690_200000210301 [1,0,0,0,0,0|2,1,0]=4 788 B10R1.30 CSc1cc(ncc1F)C 62a_200000210301_100009867690 [1,0,0,0,0,0|2,1,0]=4 789 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,0,0,0,0,0|1,1,0]=3 790 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,0,0,0,0,0|1,1,0]=3 791 B10R1.30 CSc1cc(ncc1O)Cl 62a_100000698892_200000210301 [1,0,0,0,0,0|2,1,0]=4 792 B10R1.30 CSc1cc(ncc1O)Cl 62a_200000210301_100000698892 [1,0,0,0,0,0|2,1,0]=4 793 B10R1.30 CSc1cc(nnc1O)O 62a_200000210301_100000759565 [1,0,0,0,0,0|2,1,0]=4 794 B10R1.30 CSc1cn(ccc1=O)C 62a_100010750718_200000210301 [1,0,0,0,0,0|1,1,1]=4 795 B10R1.30 CSc1cn(ccc1=O)C 62a_200000210301_100010750718 [1,0,0,0,0,0|1,1,1]=4 796 B10R1.30 CSc1nc(ccc1C)C 62a_100009854376_200000210301 [1,0,0,0,0,0|2,1,0]=4 797 B10R1.30 CSc1nc(ccc1C)C 62a_200000210301_100009854376 [1,0,0,0,0,0|2,1,0]=4 798 B10R1.30 CSc1nc(ccc1F)C 62a_100009817602_200000210301 [1,0,0,0,0,0|2,1,0]=4 799 B10R1.30 CSc1nc(ccc1F)C 62a_200000210301_100009817602 [1,0,0,0,0,0|2,1,0]=4 800 B10R1.30 CSc1nc(ccc1N)C 62a_100000685570_200000210301 [1,0,0,0,0,0|2,1,0]=4 801 B10R1.30 CSc1nc(ccc1N)C 62a_200000210301_100000685570 [1,0,0,0,0,0|2,1,0]=4 802 B10R1.30 CSc1nc(ccc1O)Br 62a_100010253912_200000210301 [1,0,0,0,0,0|2,1,0]=4 803 B10R1.30 CSc1nc(ccc1O)Br 62a_200000210301_100010253912 [1,0,0,0,0,0|2,1,0]=4 804 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,0,0,0,0,0|1,1,0]=3 805 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,0,0,0,0,0|1,1,0]=3 806 B10R1.30 CSc1nc(ccc1O)Cl 62a_200000210301_100000696390 [1,0,0,0,0,0|2,1,0]=4 807 B10R1.30 CSc1nc(ccc1O)F 62a_100010382442_200000210301 [1,0,0,0,0,0|2,1,0]=4 808 B10R1.30 CSc1nc(ccc1O)F 62a_200000210301_100010382442 [1,0,0,0,0,0|2,1,0]=4 809 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,0,0,0,0,0|2,0,0]=3 810 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_100009862788_200025704644 [1,0,0,0,0,0|2,1,0]=4 811 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100009862788 [1,0,0,0,0,0|2,1,0]=4 812 B10R1.30 Cc1cc(c(cn1)F)S[13CH3] 62a_100009867690_200025704644 [1,0,0,0,0,0|2,1,0]=4 813 B10R1.30 Cc1cc(c(cn1)F)S[13CH3] 62a_200025704644_100009867690 [1,0,0,0,0,0|2,1,0]=4 814 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [1,0,0,0,0,0|3,0,0]=4 815 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,0,0,0,0,0|1,1,0]=3 816 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,0,0,0,0,0|1,1,0]=3 817 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,0,0,0,0,0|2,0,0]=3 818 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,0,0,0,0,0|2,0,0]=3 819 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,0,0,0,0,0|2,0,0]=3 820 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,0,0,0,0,0|2,0,0]=3 821 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,0,0,0,0,0|2,0,0]=3 822 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,0,0,0,0,0|2,0,0]=3 823 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,0,0,0,0,0|2,0,0]=3 824 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,0,0,0,0,0|2,0,0]=3 825 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,0,0,0,0,0|2,0,0]=3 826 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,0,0,0,0,0|2,0,0]=3 827 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,0,0,0,0,0|1,0,0]=2 828 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,0,0,0,0,0|1,0,0]=2 829 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,0,0,0,0,0|1,0,0]=2 830 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,0,0,0,0,0|1,0,0]=2 831 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,0,0,0,0,0|1,0,0]=2 832 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,0,0,0,0,0|1,0,0]=2 833 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,0,0,0,0,0|1,0,0]=2 834 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,0,0,0,0,0|1,0,0]=2 835 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,0,0,0,0,0|1,0,0]=2 836 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,0,0,0,0,0|1,0,0]=2 837 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,0,0,0,0,0|1,0,0]=2 838 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,0,0,0,0,0|1,1,0]=3 839 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,0,0,0,0,0|1,1,0]=3 840 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,0,0,0,0,0|1,1,0]=3 841 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,0,0,0,0,0|1,1,0]=3 842 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,0,0,0,0,0|1,1,0]=3 843 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,0,0,0,0,0|1,1,0]=3 844 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,0,0,0,0,0|1,1,0]=3 845 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,0,0,0,0,0|1,1,0]=3 846 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,0,0,0,0,0|1,1,0]=3 847 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,0,0,0,0,0|1,1,0]=3 848 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,0,0,0,0,0|0,1,0]=2 849 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,0,0,0,0,0|0,1,0]=2 850 B10R1.30 Cc1ccc(c(n1)C#N)O 271570a_203496583355_100009878477 [1,0,0,0,0,0|3,0,0]=4 851 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,0,0,0,0,0|3,0,0]=4 852 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [1,0,0,0,0,0|3,0,0]=4 853 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,0,0,0,0,0|2,0,0]=3 854 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,0,0,0,0,0|2,0,0]=3 855 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_100009854376_200025704644 [1,0,0,0,0,0|2,1,0]=4 856 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_200025704644_100009854376 [1,0,0,0,0,0|2,1,0]=4 857 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_100009817602_200025704644 [1,0,0,0,0,0|2,1,0]=4 858 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_200025704644_100009817602 [1,0,0,0,0,0|2,1,0]=4 859 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_100000685570_200025704644 [1,0,0,0,0,0|2,1,0]=4 860 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_200025704644_100000685570 [1,0,0,0,0,0|2,1,0]=4 861 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,0,0,0,0,0|1,1,0]=3 862 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,0,0,0,0,0|1,1,0]=3 863 B10R1.30 Cc1ccc(cc1C#N)O 271570a_203496583355_100000698047 [1,0,0,0,0,0|3,0,0]=4 864 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,0,0,0,0,0|3,0,0]=4 865 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,0,0,0,0,0|3,0,0]=4 866 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,0,0,0,0,0|3,0,0]=4 867 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,0,0,0,0,0|3,0,0]=4 868 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,0,0,0,0,0|3,0,0]=4 869 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,0,0,0,0,0|3,0,0]=4 870 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,0,0,0,0,0|3,0,0]=4 871 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,0,0,0,0,0|3,0,0]=4 872 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,0,0,0,0,0|3,0,0]=4 873 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,0,0,0,0,0|2,0,0]=3 874 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,0,0,0,0,0|2,0,0]=3 875 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,0,0,0,0,0|2,0,0]=3 876 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,0,0,0,0,0|2,0,0]=3 877 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,0,0,0,0,0|2,0,0]=3 878 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,0,0,0,0,0|2,0,0]=3 879 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,0,0,0,0,0|2,0,0]=3 880 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,0,0,0,0,0|2,0,0]=3 881 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,0,0,0,0,0|2,0,0]=3 882 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,0,0,0,0,0|2,0,0]=3 883 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,0,0,0,0,0|2,1,0]=4 884 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,0,0,0,0,0|2,1,0]=4 885 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,0,0,0,0,0|2,1,0]=4 886 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,0,0,0,0,0|2,1,0]=4 887 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,0,0,0,0,0|2,1,0]=4 888 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,0,0,0,0,0|2,1,0]=4 889 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,0,0,0,0,0|2,1,0]=4 890 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,0,0,0,0,0|2,1,0]=4 891 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,0,0,0,0,0|1,1,0]=3 892 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,0,0,0,0,0|1,1,0]=3 893 B10R1.30 Cc1cnc(c(c1)C#N)O 271570a_203496583355_100012662280 [1,0,0,0,0,0|3,0,0]=4 894 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,0,0,0,0,0|3,0,0]=4 895 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [1,0,0,0,0,0|3,0,0]=4 896 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,0,0,0,0,0|2,0,0]=3 897 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,0,0,0,0,0|2,0,0]=3 898 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,0,0,0,0,0|2,0,0]=3 899 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,0,0,0,0,0|2,0,0]=3 900 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_100009817436_200025704644 [1,0,0,0,0,0|2,1,0]=4 901 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_200025704644_100009817436 [1,0,0,0,0,0|2,1,0]=4 902 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_100010210167_200025704644 [1,0,0,0,0,0|2,1,0]=4 903 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010210167 [1,0,0,0,0,0|2,1,0]=4 904 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_100000049784_200025704644 [1,0,0,0,0,0|2,1,0]=4 905 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_200025704644_100000049784 [1,0,0,0,0,0|2,1,0]=4 906 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_100000049664_200025704644 [1,0,0,0,0,0|2,1,0]=4 907 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_200025704644_100000049664 [1,0,0,0,0,0|2,1,0]=4 908 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,0,0,0,0,0|1,1,0]=3 909 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,0,0,0,0,0|1,1,0]=3 910 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [1,0,0,0,0,0|3,0,0]=4 911 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [1,0,0,0,0,0|3,0,0]=4 912 B10R1.30 Cc1cnc(cc1S[13CH3])O 62a_100009831917_200025704644 [1,0,0,0,0,0|2,1,0]=4 913 B10R1.30 Cc1cnc(cc1S[13CH3])O 62a_200025704644_100009831917 [1,0,0,0,0,0|2,1,0]=4 914 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,0,0,0,0,0|3,0,0]=4 915 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,0,0,0,0,0|3,0,0]=4 916 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_100009819603_200025704644 [1,0,0,0,0,0|2,1,0]=4 917 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_200025704644_100009819603 [1,0,0,0,0,0|2,1,0]=4 918 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_100010750718_200025704644 [1,0,0,0,0,0|1,1,1]=4 919 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_200025704644_100010750718 [1,0,0,0,0,0|1,1,1]=4 920 B10R1.30 N#Cc1cc(ccc1Br)O 271570a_203496583355_100012355174 [1,0,0,0,0,0|3,0,0]=4 921 B10R1.30 N#Cc1cc(ccc1Cl)O 271570a_203496583355_100011356831 [1,0,0,0,0,0|3,0,0]=4 922 B10R1.30 N#Cc1cc(ccc1F)O 271570a_203496583355_100000037165 [1,0,0,0,0,0|3,0,0]=4 923 B10R1.30 N#Cc1cc(ccc1N)O 271570a_203496583355_100000688460 [1,0,0,0,0,0|3,0,0]=4 924 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,0,0,0,0,0|3,0,0]=4 925 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,0,0,0,0,0|3,0,0]=4 926 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,0,0,0,0,0|3,0,0]=4 927 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,0,0,0,0,0|3,0,0]=4 928 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,0,0,0,0,0|2,0,0]=3 929 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,0,0,0,0,0|2,0,0]=3 930 B10R1.30 N#Cc1cc(cnc1O)O 271570a_203496583355_100000697733 [1,0,0,0,0,0|3,0,0]=4 931 B10R1.30 NCc1cc(ccc1F)O 271570a_203496583355_100009815772 [1,0,0,0,0,0|3,0,0]=4 932 B10R1.30 NCc1cc(ccc1N)O 271570a_203496583355_100012349119 [1,0,0,0,0,0|3,0,0]=4 933 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,0,0,0,0,0|3,0,0]=4 934 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,0,0,0,0,0|2,0,0]=3 935 B10R1.30 NNc1cc(ccc1F)O 271570a_203496583355_100020610843 [1,0,0,0,0,0|3,0,0]=4 936 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,0,0,0,0,0|3,0,0]=4 937 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,0,0,0,0,0|3,0,0]=4 938 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,0,0,0,0,0|3,0,0]=4 939 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,0,0,0,0,0|3,0,0]=4 940 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,0,0,0,0,0|3,0,0]=4 941 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,0,0,0,0,0|3,0,0]=4 942 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,0,0,0,0,0|3,0,0]=4 943 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,0,0,0,0,0|3,0,0]=4 944 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,0,0,0,0|3,0,0]=4 945 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,0,0,0,0,0|3,0,0]=4 946 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,0,0,0,0,0|2,0,0]=3 947 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,0,0,0,0,0|2,0,0]=3 948 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,0,0,0,0,0|3,0,0]=4 949 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,0,0,0,0,0|3,0,0]=4 950 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,0,0,0,0,0|3,0,0]=4 951 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,0,0,0,0,0|3,0,0]=4 952 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,0,0,0,0,0|3,0,0]=4 953 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,0,0,0,0,0|2,0,0]=3 954 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,0,0,0,0,0|2,0,0]=3 955 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [1,0,0,0,0,0|3,0,0]=4 956 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,0,0,0,0,0|3,0,0]=4 957 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,0,0,0,0,0|3,0,0]=4 958 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,0,0,0,0,0|3,0,0]=4 959 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,0,0,0,0,0|2,0,0]=3 960 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,0,0,0,0,0|3,0,0]=4 961 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,0,0,0,0,0|3,0,0]=4 962 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,0,0,0,0,0|3,0,0]=4 963 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,0,0,0,0,0|3,0,0]=4 964 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,0,0,0,0,0|2,0,0]=3 965 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,0,0,0,0,0|3,0,0]=4 966 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,0,0,0,0,0|3,0,0]=4 967 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,0,0,0,0,0|3,0,0]=4 968 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,0,0,0,0,0|3,0,0]=4 969 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,0,0,0,0,0|2,0,0]=3 970 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,0,0,0,0,0|3,0,0]=4 971 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,0,0,0,0,0|3,0,0]=4 972 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,0,0,0,0,0|3,0,0]=4 973 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,0,0,0,0,0|2,0,0]=3 974 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,0,0,0,0|2,0,0]=3 975 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,0,0,0,0,0|2,0,0]=3 976 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,0,0,0,0,0|2,0,1]=4 977 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,0,0,0,0,0|2,0,0]=3 978 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,0,0,0,0,0|2,0,0]=3 979 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,0,0,0,0,0|2,0,0]=3 980 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,0,0,0,0,0|2,0,0]=3 981 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,0,0,0,0,0|2,0,0]=3 982 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,0,0,0,0,0|2,0,0]=3 983 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,0,0,0,0,0|2,0,0]=3 984 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,0,0,0,0,0|2,0,0]=3 985 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,0,0,0,0,0|2,0,0]=3 986 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,0,0,0,0,0|2,0,0]=3 987 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,0,0,0,0,0|2,0,0]=3 988 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,0,0,0,0,0|2,0,0]=3 989 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,0,0,0,0,0|2,0,0]=3 990 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,0,0,0,0,0|2,0,0]=3 991 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,0,0,0,0,0|2,0,0]=3 992 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,0,0,0,0,0|2,0,0]=3 993 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,0,0,0,0,0|2,0,0]=3 994 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,0,0,0,0,0|2,0,0]=3 995 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,0,0,0,0,0|2,0,0]=3 996 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,0,0,0,0,0|2,0,0]=3 997 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,0,0,0,0,0|2,0,0]=3 998 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,0,0,0,0,0|2,0,0]=3 999 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,0,0,0,0,0|2,0,0]=3 1000 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,0,0,0,0,0|2,0,0]=3 1001 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,0,0,0,0,0|2,0,0]=3 1002 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 1003 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 1004 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,0,0,0,0,0|2,0,0]=3 1005 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,0,0,0,0,0|2,0,0]=3 1006 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,0,0,0,0,0|2,0,0]=3 1007 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,0,0,0,0,0|2,0,0]=3 1008 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,0,0,0,0,0|2,0,0]=3 1009 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,0,0,0,0,0|2,0,0]=3 1010 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,0,0,0,0,0|2,0,0]=3 1011 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,0,0,0,0,0|2,0,0]=3 1012 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,0,0,0,0,0|2,0,0]=3 1013 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,0,0,0,0,0|2,0,0]=3 1014 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1015 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1016 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,0,0,0,0,0|2,0,0]=3 1017 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,0,0,0,0,0|2,0,0]=3 1018 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,0,0,0,0,0|2,0,0]=3 1019 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 34a_100000697010_200025704644 [1,0,0,0,0,0|3,0,0]=4 1020 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 7a_100000697010_200025704644 [1,0,0,0,0,0|3,0,0]=4 1021 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 34a_100009820119_200025704644 [1,0,0,0,0,0|3,0,0]=4 1022 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 7a_100009820119_200025704644 [1,0,0,0,0,0|3,0,0]=4 1023 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 34a_100012354860_200025704644 [1,0,0,0,0,0|3,0,0]=4 1024 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 7a_100012354860_200025704644 [1,0,0,0,0,0|3,0,0]=4 1025 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 34a_100000079967_200025704644 [1,0,0,0,0,0|3,0,0]=4 1026 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 7a_100000079967_200025704644 [1,0,0,0,0,0|3,0,0]=4 1027 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 34a_100009819871_200025704644 [1,0,0,0,0,0|3,0,0]=4 1028 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 7a_100009819871_200025704644 [1,0,0,0,0,0|3,0,0]=4 1029 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 34a_100000094372_200025704644 [1,0,0,0,0,0|3,0,0]=4 1030 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 7a_100000094372_200025704644 [1,0,0,0,0,0|3,0,0]=4 1031 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 34a_100010210634_200025704644 [1,0,0,0,0,0|3,0,0]=4 1032 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 7a_100010210634_200025704644 [1,0,0,0,0,0|3,0,0]=4 1033 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 34a_100010233512_200025704644 [1,0,0,0,0,0|3,0,0]=4 1034 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 7a_100010233512_200025704644 [1,0,0,0,0,0|3,0,0]=4 1035 B10R1.30 [13CH3]Oc1cc(cnc1I)F 34a_100015624800_200025704644 [1,0,0,0,0,0|3,0,0]=4 1036 B10R1.30 [13CH3]Oc1cc(cnc1I)F 7a_100015624800_200025704644 [1,0,0,0,0,0|3,0,0]=4 1037 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 34a_100009819042_200025704644 [1,0,0,0,0,0|3,0,0]=4 1038 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 7a_100009819042_200025704644 [1,0,0,0,0,0|3,0,0]=4 1039 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 34a_100000123674_200025704644 [1,0,0,0,0,0|3,0,0]=4 1040 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 7a_100000123674_200025704644 [1,0,0,0,0,0|3,0,0]=4 1041 B10R1.30 [13CH3]Oc1cc(cnc1N)F 34a_100000094369_200025704644 [1,0,0,0,0,0|3,0,0]=4 1042 B10R1.30 [13CH3]Oc1cc(cnc1N)F 7a_100000094369_200025704644 [1,0,0,0,0,0|3,0,0]=4 1043 B10R1.30 [13CH3]Oc1cc(ncc1Br)Br 34a_100010235016_200025704644 [1,0,0,0,0,0|3,0,0]=4 1044 B10R1.30 [13CH3]Oc1cc(ncc1Br)Cl 34a_100010173860_200025704644 [1,0,0,0,0,0|3,0,0]=4 1045 B10R1.30 [13CH3]Oc1cc(ncc1Cl)Br 34a_100010173861_200025704644 [1,0,0,0,0,0|3,0,0]=4 1046 B10R1.30 [13CH3]Oc1cc(ncc1F)Br 34a_100009854642_200025704644 [1,0,0,0,0,0|3,0,0]=4 1047 B10R1.30 [13CH3]Oc1cc(ncc1F)Cl 34a_100009851168_200025704644 [1,0,0,0,0,0|3,0,0]=4 1048 B10R1.30 [13CH3]Oc1nc(ccc1F)Cl 34a_100010729010_200025704644 [1,0,0,0,0,0|3,0,0]=4 1049 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,0,0,0,0,0|2,1,0]=4 1050 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,0,0,0,0,0|2,1,0]=4 1051 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,0,0,0,0,0|2,1,0]=4 1052 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,0,0,0,0,0|2,1,0]=4 1053 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,0,0,0,0,0|2,1,0]=4 1054 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,0,0,0,0,0|2,1,0]=4 1055 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,0,0,0,0,0|2,1,0]=4 1056 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,0,0,0,0,0|2,1,0]=4 1057 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,0,0,0,0,0|1,1,0]=3 1058 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,0,0,0,0,0|1,1,0]=3 1059 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,0,0,0,0,0|2,1,0]=4 1060 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,0,0,0,0,0|2,1,0]=4 1061 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,0,0,0,0,0|2,1,0]=4 1062 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,0,0,0,0,0|2,1,0]=4 1063 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,0,0,0,0,0|2,1,0]=4 1064 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,0,0,0,0,0|2,1,0]=4 1065 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,0,0,0,0,0|2,1,0]=4 1066 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,0,0,0,0,0|2,1,0]=4 1067 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,0,0,0,0,0|1,1,0]=3 1068 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,0,0,0,0,0|1,1,0]=3 1069 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,0,0,0,0,0|2,1,0]=4 1070 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,0,0,0,0,0|2,1,0]=4 1071 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,0,0,0,0,0|2,1,0]=4 1072 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,0,0,0,0,0|2,1,0]=4 1073 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,0,0,0,0,0|2,1,0]=4 1074 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,0,0,0,0,0|2,1,0]=4 1075 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,0,0,0,0,0|2,1,0]=4 1076 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,0,0,0,0,0|2,1,0]=4 1077 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,0,0,0,0,0|1,1,0]=3 1078 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,0,0,0,0,0|1,1,0]=3 1079 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,0,0,0,0,0|2,1,0]=4 1080 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,0,0,0,0,0|2,1,0]=4 1081 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,0,0,0,0,0|2,1,0]=4 1082 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,0,0,0,0,0|2,1,0]=4 1083 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,0,0,0,0,0|2,1,0]=4 1084 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,0,0,0,0,0|2,1,0]=4 1085 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,0,0,0,0,0|2,1,0]=4 1086 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,0,0,0,0,0|2,1,0]=4 1087 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,0,0,0,0,0|1,1,0]=3 1088 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,0,0,0,0,0|1,1,0]=3 1089 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,0,0,0,0,0|1,1,0]=3 1090 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,0,0,0,0,0|1,1,0]=3 1091 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,0,0,0,0|1,1,0]=3 1092 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,0,0,0,0|1,1,0]=3 1093 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,0,0,0,0,0|1,1,0]=3 1094 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,0,0,0,0,0|1,1,0]=3 1095 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,0,0,0,0,0|1,1,0]=3 1096 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,0,0,0,0,0|1,1,0]=3 1097 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,0,0,0,0,0|0,1,0]=2 1098 B10R1.30 [13CH3]Sc1cc(cnc1F)O 62a_100009817267_200025704644 [1,0,0,0,0,0|2,1,0]=4 1099 B10R1.30 [13CH3]Sc1cc(cnc1F)O 62a_200025704644_100009817267 [1,0,0,0,0,0|2,1,0]=4 1100 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_100010197142_200025704644 [1,0,0,0,0,0|2,1,0]=4 1101 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_200025704644_100010197142 [1,0,0,0,0,0|2,1,0]=4 1102 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_100010188700_200025704644 [1,0,0,0,0,0|2,1,0]=4 1103 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_200025704644_100010188700 [1,0,0,0,0,0|2,1,0]=4 1104 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_100000698892_200025704644 [1,0,0,0,0,0|2,1,0]=4 1105 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_200025704644_100000698892 [1,0,0,0,0,0|2,1,0]=4 1106 B10R1.30 [13CH3]Sc1cc(nnc1O)O 62a_200025704644_100000759565 [1,0,0,0,0,0|2,1,0]=4 1107 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_100010253912_200025704644 [1,0,0,0,0,0|2,1,0]=4 1108 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_200025704644_100010253912 [1,0,0,0,0,0|2,1,0]=4 1109 B10R1.30 [13CH3]Sc1nc(ccc1O)Cl 62a_200025704644_100000696390 [1,0,0,0,0,0|2,1,0]=4 1110 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_100010382442_200025704644 [1,0,0,0,0,0|2,1,0]=4 1111 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_200025704644_100010382442 [1,0,0,0,0,0|2,1,0]=4 1112 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [1,0,0,0,0,0|2,0,1]=4 1113 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [1,0,0,0,0,0|2,0,1]=4 1114 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1115 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1116 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,0,0,0,0,0|1,0,1]=3 1117 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,0,0,0,0,0|1,0,1]=3 1118 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,0,0,0,0,0|1,0,1]=3 1119 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,0,0,0,0,0|1,0,1]=3 1120 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [1,0,0,0,0,0|2,0,1]=4 1121 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,0,0,0,0,0|2,0,1]=4 1122 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,0,0,0,0,0|2,0,1]=4 1123 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,0,0,0,0,0|2,0,1]=4 1124 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,0,0,0,0,0|2,0,1]=4 1125 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,0,0,0,0,0|1,0,1]=3 1126 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,0,0,0,0,0|2,0,1]=4 1127 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,0,0,0,0,0|2,0,1]=4 1128 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,0,0,0,0,0|2,0,1]=4 1129 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,0,0,0,0,0|1,0,1]=3 1130 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,0,0,0,0,0|1,0,1]=3 1131 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,0,0,0,0,0|1,0,1]=3 1132 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,0,0,0,0,0|1,0,1]=3 1133 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,0,0,0,0,0|1,0,1]=3 1134 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,0,0,0,0,0|1,1,1]=4 1135 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,0,0,0,0,0|1,1,1]=4 1136 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,0,0,0,0,0|1,1,1]=4 1137 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,0,0,0,0,0|1,1,1]=4 1138 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,0,0,0,0,0|1,1,1]=4 1139 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [1,0,0,0,0,0|2,0,1]=4 1140 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,0,0,0,0,0|2,0,1]=4 1141 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [1,0,0,0,0,0|2,0,1]=4 1142 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,0,0,0,0,0|2,0,1]=4 1143 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [1,0,0,0,0,0|2,0,1]=4 1144 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,0,0,0,0,0|2,0,1]=4 1145 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,0,0,0,0,0|2,0,0]=3 1146 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,0,0,0,0,0|2,0,0]=3 1147 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,0,0,0,0,0|2,0,0]=3 1148 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,0,0,0,0,0|2,0,0]=3 1149 B10R1.172 CCc1cc(ccn1)NC 27a_100102657272_100009820011 [1,0,0,0,0,0|3,0,0]=4 1150 B10R1.172 CCc1cc(ccn1)SC 62a_100009820011_200000210301 [1,0,0,0,0,0|2,1,0]=4 1151 B10R1.172 CCc1cc(ccn1)SC 62a_200000210301_100009820011 [1,0,0,0,0,0|2,1,0]=4 1152 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_100009820011_200025704644 [1,0,0,0,0,0|2,1,0]=4 1153 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_200025704644_100009820011 [1,0,0,0,0,0|2,1,0]=4 1154 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,0,0,0,0,0|2,0,0]=3 1155 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,0,0,0,0,0|2,0,0]=3 1156 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,0,0,0,0,0|2,0,0]=3 1157 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,0,0,0,0,0|2,0,0]=3 1158 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,0,0,0,0,0|2,0,0]=3 1159 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,0,0,0,0,0|2,0,0]=3 1160 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,0,0,0,0,0|1,0,0]=2 1161 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,0,0,0,0,0|1,0,0]=2 1162 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,0,0,0,0,0|1,0,0]=2 1163 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,0,0,0,0,0|1,0,0]=2 1164 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [1,0,0,0,0,0|1,1,0]=3 1165 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [1,0,0,0,0,0|1,1,0]=3 1166 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [1,0,0,0,0,0|1,1,0]=3 1167 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [1,0,0,0,0,0|1,1,0]=3 1168 B10R1.172 CCc1cccc(n1)SC 62a_100009856026_200000210301 [1,0,0,0,0,0|2,1,0]=4 1169 B10R1.172 CCc1cccc(n1)SC 62a_200000210301_100009856026 [1,0,0,0,0,0|2,1,0]=4 1170 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_100009856026_200025704644 [1,0,0,0,0,0|2,1,0]=4 1171 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_200025704644_100009856026 [1,0,0,0,0,0|2,1,0]=4 1172 B10R1.172 CCc1ccnc(c1)NC 27a_100102657272_100009817561 [1,0,0,0,0,0|3,0,0]=4 1173 B10R1.172 CCc1ccnc(c1)SC 62a_100009817561_200000210301 [1,0,0,0,0,0|2,1,0]=4 1174 B10R1.172 CCc1ccnc(c1)SC 62a_200000210301_100009817561 [1,0,0,0,0,0|2,1,0]=4 1175 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_100009817561_200025704644 [1,0,0,0,0,0|2,1,0]=4 1176 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_200025704644_100009817561 [1,0,0,0,0,0|2,1,0]=4 1177 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [1,0,0,0,0,0|2,0,0]=3 1178 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [1,0,0,0,0,0|2,0,0]=3 1179 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [1,0,0,0,0,0|2,0,0]=3 1180 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [1,0,0,0,0,0|2,0,0]=3 1181 B10R1.172 CCc1cncc(c1)SC 62a_200000210301_200009819073 [1,0,0,0,0,0|2,1,0]=4 1182 B10R1.172 CCc1cncc(c1)SC 62a_200009819073_200000210301 [1,0,0,0,0,0|2,1,0]=4 1183 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200009819073_200025704644 [1,0,0,0,0,0|2,1,0]=4 1184 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200025704644_200009819073 [1,0,0,0,0,0|2,1,0]=4 1185 B10R1.172 CNc1cc(ncn1)CO 27a_100102657272_100000731546 [1,0,0,0,0,0|3,0,0]=4 1186 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 1187 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 1188 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [1,0,0,0,0,0|2,0,0]=3 1189 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [1,0,0,0,0,0|2,0,0]=3 1190 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [1,0,0,0,0,0|2,0,0]=3 1191 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,0,0,0,0,0|1,0,0]=2 1192 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,0,0,0,0,0|1,0,0]=2 1193 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,0,0,0,0,0|2,0,0]=3 1194 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,0,0,0,0,0|2,0,0]=3 1195 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,0,0,0,0,0|2,0,0]=3 1196 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,0,0,0,0,0|2,0,0]=3 1197 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,0,0,0,0,0|2,0,0]=3 1198 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [1,0,0,0,0,0|2,1,0]=4 1199 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [1,0,0,0,0,0|2,1,0]=4 1200 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [1,0,0,0,0,0|2,1,0]=4 1201 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [1,0,0,0,0,0|2,1,0]=4 1202 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [1,0,0,0,0,0|2,1,0]=4 1203 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [1,0,0,0,0,0|2,1,0]=4 1204 B10R1.172 CNc1ccnc(c1)CO 27a_100102657272_100000748867 [1,0,0,0,0,0|2,0,0]=3 1205 B10R1.172 CNc1cncc(n1)CO 27a_100102657272_100009853123 [1,0,0,0,0,0|3,0,0]=4 1206 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [1,0,0,0,0,0|2,0,0]=3 1207 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [1,0,0,0,0,0|3,0,0]=4 1208 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [1,0,0,0,0,0|3,0,0]=4 1209 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [1,0,0,0,0,0|3,0,0]=4 1210 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [1,0,0,0,0,0|3,0,0]=4 1211 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [1,0,0,0,0,0|3,0,0]=4 1212 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 1213 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 1214 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,0,0,0,0,0|1,0,0]=2 1215 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,0,0,0,0,0|1,0,0]=2 1216 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,0,0,0,0,0|1,0,0]=2 1217 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,0,0,0,0,0|1,0,0]=2 1218 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,0,0,0,0,0|1,0,0]=2 1219 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,0,0,0,0,0|0,0,0]=1 1220 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,0,0,0,0,0|0,0,0]=1 1221 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,0,0,0,0,0|2,0,0]=3 1222 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1223 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1224 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1225 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1226 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,0,0,0,0,0|2,0,0]=3 1227 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,0,0,0,0,0|2,0,0]=3 1228 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,0,0,0,0,0|2,0,0]=3 1229 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,0,0,0,0,0|2,0,0]=3 1230 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [1,0,0,0,0,0|3,0,0]=4 1231 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [1,0,0,0,0,0|3,0,0]=4 1232 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [1,0,0,0,0,0|3,0,0]=4 1233 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [1,0,0,0,0,0|3,0,0]=4 1234 B10R1.172 COc1ccnc(c1)C#N 34a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 1235 B10R1.172 COc1ccnc(c1)C#N 7a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 1236 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [1,0,0,0,0,0|3,0,0]=4 1237 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [1,0,0,0,0,0|3,0,0]=4 1238 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [1,0,0,0,0,0|3,0,0]=4 1239 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [1,0,0,0,0,0|3,0,0]=4 1240 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [1,0,0,0,0,0|3,0,0]=4 1241 B10R1.172 COc1cncc(c1)C#N 34a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 1242 B10R1.172 COc1cncc(c1)C#N 7a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 1243 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [1,0,0,0,0,0|3,0,0]=4 1244 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [1,0,0,0,0,0|3,0,0]=4 1245 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [1,0,0,0,0,0|3,0,0]=4 1246 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [1,0,0,0,0,0|3,0,0]=4 1247 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [1,0,0,0,0,0|3,0,0]=4 1248 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [1,0,0,0,0,0|3,0,0]=4 1249 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [1,0,0,0,0,0|3,0,0]=4 1250 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [1,0,0,0,0,0|3,0,0]=4 1251 B10R1.172 CSc1cc(ccn1)CN 62a_100025757509_200000210301 [1,0,0,0,0,0|2,1,0]=4 1252 B10R1.172 CSc1cc(ccn1)CN 62a_200000210301_100025757509 [1,0,0,0,0,0|2,1,0]=4 1253 B10R1.172 CSc1cc(ccn1)CO 62a_100009814636_200000210301 [1,0,0,0,0,0|1,1,0]=3 1254 B10R1.172 CSc1cc(ccn1)CO 62a_200000210301_100009814636 [1,0,0,0,0,0|1,1,0]=3 1255 B10R1.172 CSc1cc(ncn1)CO 62a_100000731546_200000210301 [1,0,0,0,0,0|2,1,0]=4 1256 B10R1.172 CSc1cc(ncn1)CO 62a_200000210301_100000731546 [1,0,0,0,0,0|2,1,0]=4 1257 B10R1.172 CSc1cccc(c1)C#N 62a_200000210301_100000189340 [1,0,0,0,0,0|1,1,1]=4 1258 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,0,0,0,0,0|0,1,2]=4 1259 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,0,0,0,0,0|0,1,2]=4 1260 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [1,0,0,0,0,0|1,1,0]=3 1261 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [1,0,0,0,0,0|1,1,0]=3 1262 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [1,0,0,0,0,0|1,1,0]=3 1263 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [1,0,0,0,0,0|1,1,0]=3 1264 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,0,0,0,0,0|0,1,0]=2 1265 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,0,0,0,0,0|0,1,0]=2 1266 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [1,0,0,0,0,0|2,1,0]=4 1267 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [1,0,0,0,0,0|2,1,0]=4 1268 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [1,0,0,0,0,0|2,1,0]=4 1269 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [1,0,0,0,0,0|2,1,0]=4 1270 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,0,0,0,0,0|2,0,0]=3 1271 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,0,0,0,0,0|2,0,0]=3 1272 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [1,0,0,0,0,0|2,1,0]=4 1273 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [1,0,0,0,0,0|2,1,0]=4 1274 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [1,0,0,0,0,0|2,1,0]=4 1275 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [1,0,0,0,0,0|2,1,0]=4 1276 B10R1.172 CSc1cccc(n1)CN 62a_100016990191_200000210301 [1,0,0,0,0,0|2,1,0]=4 1277 B10R1.172 CSc1cccc(n1)CN 62a_200000210301_100016990191 [1,0,0,0,0,0|2,1,0]=4 1278 B10R1.172 CSc1cccc(n1)CO 62a_100000694195_200000210301 [1,0,0,0,0,0|1,1,0]=3 1279 B10R1.172 CSc1cccc(n1)CO 62a_200000210301_100000694195 [1,0,0,0,0,0|1,1,0]=3 1280 B10R1.172 CSc1ccnc(c1)CN 62a_100000085674_200000210301 [1,0,0,0,0,0|2,1,0]=4 1281 B10R1.172 CSc1ccnc(c1)CN 62a_200000210301_100000085674 [1,0,0,0,0,0|2,1,0]=4 1282 B10R1.172 CSc1ccnc(c1)CO 62a_100000748867_200000210301 [1,0,0,0,0,0|1,1,0]=3 1283 B10R1.172 CSc1ccnc(c1)CO 62a_200000210301_100000748867 [1,0,0,0,0,0|1,1,0]=3 1284 B10R1.172 CSc1cncc(c1)CN 62a_100011249555_200000210301 [1,0,0,0,0,0|2,1,0]=4 1285 B10R1.172 CSc1cncc(c1)CN 62a_200000210301_100011249555 [1,0,0,0,0,0|2,1,0]=4 1286 B10R1.172 CSc1cncc(c1)CO 62a_100011259137_200000210301 [1,0,0,0,0,0|1,1,0]=3 1287 B10R1.172 CSc1cncc(c1)CO 62a_200000210301_100011259137 [1,0,0,0,0,0|1,1,0]=3 1288 B10R1.172 CSc1cncc(n1)CO 62a_100009853123_200000210301 [1,0,0,0,0,0|2,1,0]=4 1289 B10R1.172 CSc1cncc(n1)CO 62a_200000210301_100009853123 [1,0,0,0,0,0|2,1,0]=4 1290 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 1291 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 1292 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [1,0,0,0,0,0|2,0,0]=3 1293 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [1,0,0,0,0,0|2,0,0]=3 1294 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [1,0,0,0,0,0|2,0,0]=3 1295 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,0,0,0,0,0|1,0,0]=2 1296 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,0,0,0,0,0|1,0,0]=2 1297 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [1,0,0,0,0,0|2,0,0]=3 1298 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 1299 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 1300 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,0,0,0,0,0|1,0,0]=2 1301 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,0,0,0,0,0|1,0,0]=2 1302 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,0,0,0,0,0|1,0,0]=2 1303 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,0,0,0,0,0|1,0,0]=2 1304 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,0,0,0,0,0|1,0,0]=2 1305 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,0,0,0,0,0|0,0,0]=1 1306 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,0,0,0,0,0|0,0,0]=1 1307 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 34a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 1308 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 7a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 1309 B10R1.172 [13CH3]Oc1cncc(c1)C#N 34a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 1310 B10R1.172 [13CH3]Oc1cncc(c1)C#N 7a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 1311 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_100025757509_200025704644 [1,0,0,0,0,0|2,1,0]=4 1312 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_200025704644_100025757509 [1,0,0,0,0,0|2,1,0]=4 1313 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_100009814636_200025704644 [1,0,0,0,0,0|1,1,0]=3 1314 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_200025704644_100009814636 [1,0,0,0,0,0|1,1,0]=3 1315 B10R1.172 [13CH3]Sc1cc(ncn1)CO 62a_100000731546_200025704644 [1,0,0,0,0,0|2,1,0]=4 1316 B10R1.172 [13CH3]Sc1cc(ncn1)CO 62a_200025704644_100000731546 [1,0,0,0,0,0|2,1,0]=4 1317 B10R1.172 [13CH3]Sc1cccc(c1)C#N 62a_200025704644_100000189340 [1,0,0,0,0,0|1,1,1]=4 1318 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,0,0,0,0,0|0,1,2]=4 1319 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,0,0,0,0,0|0,1,2]=4 1320 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [1,0,0,0,0,0|1,1,0]=3 1321 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [1,0,0,0,0,0|1,1,0]=3 1322 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [1,0,0,0,0,0|1,1,0]=3 1323 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [1,0,0,0,0,0|1,1,0]=3 1324 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,0,0,0,0,0|0,1,0]=2 1325 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,0,0,0,0,0|0,1,0]=2 1326 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [1,0,0,0,0,0|2,1,0]=4 1327 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [1,0,0,0,0,0|2,1,0]=4 1328 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_100016990191_200025704644 [1,0,0,0,0,0|2,1,0]=4 1329 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_200025704644_100016990191 [1,0,0,0,0,0|2,1,0]=4 1330 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_100000694195_200025704644 [1,0,0,0,0,0|1,1,0]=3 1331 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_200025704644_100000694195 [1,0,0,0,0,0|1,1,0]=3 1332 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_100000085674_200025704644 [1,0,0,0,0,0|2,1,0]=4 1333 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_200025704644_100000085674 [1,0,0,0,0,0|2,1,0]=4 1334 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_100000748867_200025704644 [1,0,0,0,0,0|1,1,0]=3 1335 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_200025704644_100000748867 [1,0,0,0,0,0|1,1,0]=3 1336 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_100011249555_200025704644 [1,0,0,0,0,0|2,1,0]=4 1337 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_200025704644_100011249555 [1,0,0,0,0,0|2,1,0]=4 1338 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_100011259137_200025704644 [1,0,0,0,0,0|1,1,0]=3 1339 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_200025704644_100011259137 [1,0,0,0,0,0|1,1,0]=3 1340 B10R1.172 [13CH3]Sc1cncc(n1)CO 62a_100009853123_200025704644 [1,0,0,0,0,0|2,1,0]=4 1341 B10R1.172 [13CH3]Sc1cncc(n1)CO 62a_200025704644_100009853123 [1,0,0,0,0,0|2,1,0]=4 1342 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,0,0,0,0,0|2,0,1]=4 1343 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,0,0,0,0,0|2,0,1]=4 1344 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,0,0,0,0,0|2,0,1]=4 1345 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,0,0,0,0,0|2,0,1]=4 1346 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,0,0,0,0,0|2,0,1]=4 1347 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,0,0,0,0,0|2,0,1]=4 1348 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,0,0,0,0,0|2,0,1]=4 1349 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,0,0,0,0,0|1,0,1]=3 1350 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,0,0,0,0,0|2,0,1]=4 1351 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,0,0,0,0,0|2,0,1]=4 1352 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,0,0,0,0,0|2,0,1]=4 1353 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,0,0,0,0|2,0,1]=4 1354 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,0,0,0,0|2,0,1]=4 1355 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,0,0,0,0|2,0,1]=4 1356 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,0,0,0,0|2,0,1]=4 1357 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,0,0,0,0|2,0,1]=4 1358 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,0,0,0,0|1,0,1]=3 1359 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,0,0,0,0,0|2,0,1]=4 1360 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,0,0,0,0,0|2,0,1]=4 1361 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,0,0,0,0,0|2,0,0]=3 1362 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,0,0,0,0,0|2,0,0]=3 1363 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,0,0,0,0,0|2,0,0]=3 1364 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,0,0,0,0,0|2,0,0]=3 1365 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,0,0,0,0|1,0,0]=2 1366 B10R1.176 CNc1cc(c(cn1)O)C 271570a_203496583355_100012352278 [1,0,0,0,0,0|3,0,0]=4 1367 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 1368 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 1369 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 1370 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 1371 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1372 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1373 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1374 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1375 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1376 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1377 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 1378 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 1379 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 1380 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,0,0,0,0,0|3,0,0]=4 1381 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,0,0,0,0,0|3,0,0]=4 1382 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,0,0,0,0|2,0,0]=3 1383 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,0,0,0,0|2,0,0]=3 1384 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,0,0,0,0|2,0,0]=3 1385 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 1386 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,0,0,0,0,0|3,0,0]=4 1387 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 1388 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 1389 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,0,0,0,0|3,0,0]=4 1390 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 1391 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 1392 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,0,0,0,0,0|3,0,0]=4 1393 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 1394 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 1395 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,0,0,0,0|2,0,0]=3 1396 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [1,0,0,0,0,0|3,0,0]=4 1397 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,0,0,0,0,0|3,0,0]=4 1398 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,0,0,0,0,0|3,0,0]=4 1399 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1400 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1401 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,0,0,0,0,0|3,0,0]=4 1402 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,0,0,0,0,0|3,0,0]=4 1403 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,0,0,0,0,0|3,0,0]=4 1404 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,0,0,0,0,0|3,0,0]=4 1405 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,0,0,0,0,0|3,0,0]=4 1406 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,0,0,0,0,0|3,0,0]=4 1407 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,0,0,0,0,0|3,0,0]=4 1408 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,0,0,0,0,0|3,0,0]=4 1409 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,0,0,0,0,0|3,0,0]=4 1410 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,0,0,0,0,0|3,0,0]=4 1411 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,0,0,0,0|2,0,0]=3 1412 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,0,0,0,0,0|3,0,0]=4 1413 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,0,0,0,0,0|3,0,0]=4 1414 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,0,0,0,0,0|3,0,0]=4 1415 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,0,0,0,0|3,0,0]=4 1416 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,0,0,0,0,0|3,0,0]=4 1417 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,0,0,0,0,0|3,0,0]=4 1418 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,0,0,0,0,0|3,0,0]=4 1419 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,0,0,0,0|2,0,0]=3 1420 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,0,0,0,0|2,0,0]=3 1421 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [1,0,0,0,0,0|3,0,0]=4 1422 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [1,0,0,0,0,0|3,0,0]=4 1423 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [1,0,0,0,0,0|3,0,0]=4 1424 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,0,0,0,0,0|3,0,0]=4 1425 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,0,0,0,0,0|3,0,0]=4 1426 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,0,0,0,0,0|3,0,0]=4 1427 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,0,0,0,0,0|3,0,0]=4 1428 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,0,0,0,0,0|3,0,0]=4 1429 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,0,0,0,0,0|3,0,0]=4 1430 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,0,0,0,0,0|3,0,0]=4 1431 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,0,0,0,0,0|3,0,0]=4 1432 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,0,0,0,0,0|3,0,0]=4 1433 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,0,0,0,0,0|3,0,0]=4 1434 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,0,0,0,0,0|3,0,0]=4 1435 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,0,0,0,0,0|3,0,0]=4 1436 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,0,0,0,0|2,0,0]=3 1437 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,0,0,0,0,0|3,0,0]=4 1438 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,0,0,0,0,0|3,0,0]=4 1439 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,0,0,0,0,0|3,0,0]=4 1440 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,0,0,0,0,0|3,0,0]=4 1441 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,0,0,0,0,0|3,0,0]=4 1442 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 1443 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,0,0,0,0,0|3,0,0]=4 1444 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,0,0,0,0,0|3,0,0]=4 1445 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,0,0,0,0,0|3,0,0]=4 1446 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,0,0,0,0|3,0,0]=4 1447 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,0,0,0,0|3,0,0]=4 1448 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,0,0,0,0,0|3,0,0]=4 1449 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,0,0,0,0,0|3,0,0]=4 1450 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,0,0,0,0,0|3,0,0]=4 1451 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,0,0,0,0,0|3,0,0]=4 1452 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,0,0,0,0,0|3,0,0]=4 1453 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 1454 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,0,0,0,0,0|3,0,0]=4 1455 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,0,0,0,0|2,0,0]=3 1456 B10R1.176 CSc1ccc(c(n1)C)O 62a_100010233687_200000210301 [1,0,0,0,0,0|3,0,0]=4 1457 B10R1.176 CSc1ccc(c(n1)C)O 62a_200000210301_100010233687 [1,0,0,0,0,0|3,0,0]=4 1458 B10R1.176 CSc1cnc(c(c1)C)O 271570a_203496583355_203440288091 [1,0,0,0,0,0|3,0,0]=4 1459 B10R1.176 CSc1cnc(c(c1)C)O 62a_100000685391_200000210301 [1,0,0,0,0,0|3,0,0]=4 1460 B10R1.176 CSc1cnc(c(c1)C)O 62a_200000210301_100000685391 [1,0,0,0,0,0|3,0,0]=4 1461 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1462 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1463 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1464 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1465 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1466 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,0,0,0,0,0|3,0,0]=4 1467 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,0,0,0,0,0|3,0,0]=4 1468 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1469 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1470 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1471 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,0,0,0,0,0|3,0,0]=4 1472 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,0,0,0,0,0|3,0,0]=4 1473 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,0,0,0,0,0|3,0,0]=4 1474 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,0,0,0,0,0|3,0,0]=4 1475 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1476 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1477 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1478 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,0,0,0,0,0|3,0,0]=4 1479 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,0,0,0,0,0|3,0,0]=4 1480 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,0,0,0,0,0|3,0,0]=4 1481 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,0,0,0,0,0|3,0,0]=4 1482 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,0,0,0,0,0|3,0,0]=4 1483 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,0,0,0,0,0|3,0,0]=4 1484 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,0,0,0,0,0|3,0,0]=4 1485 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,0,0,0,0,0|3,0,0]=4 1486 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,0,0,0,0,0|3,0,0]=4 1487 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,0,0,0,0,0|3,0,0]=4 1488 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,0,0,0,0,0|3,0,0]=4 1489 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,0,0,0,0,0|3,0,0]=4 1490 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,0,0,0,0,0|1,0,1]=3 1491 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,0,0,0,0,0|0,0,2]=3 1492 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,0,0,0,0,0|1,0,0]=2 1493 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,0,0,0,0,0|0,0,0]=1 1494 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,0,0,0,0,0|2,0,0]=3 1495 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,0,0,0,0|2,0,0]=3 1496 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,0,0,0,0|2,0,0]=3 1497 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,0,0,0,0|2,0,0]=3 1498 B10R1.176 Cc1cc(cnc1O)C#N 271570a_203496583355_100000719225 [1,0,0,0,0,0|2,0,1]=4 1499 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,0,0,0,0,0|1,0,2]=4 1500 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [1,0,0,0,0,0|1,0,0]=2 1501 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_100000685391_200025704644 [1,0,0,0,0,0|3,0,0]=4 1502 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_200025704644_100000685391 [1,0,0,0,0,0|3,0,0]=4 1503 B10R1.176 Cc1cc(ncc1O)C#N 271570a_203496583355_100009818022 [1,0,0,0,0,0|2,0,1]=4 1504 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,0,0,0,0,0|1,0,2]=4 1505 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [1,0,0,0,0,0|1,0,0]=2 1506 B10R1.176 Cc1cc(ncc1O)NN 271570a_203496583355_100012357568 [1,0,0,0,0,0|3,0,0]=4 1507 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [1,0,0,0,0,0|3,0,0]=4 1508 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1509 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1510 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1511 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,0,0,0,0,0|3,0,0]=4 1512 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,0,0,0,0,0|3,0,0]=4 1513 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,0,0,0,0,0|3,0,0]=4 1514 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,0,0,0,0,0|3,0,0]=4 1515 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,0,0,0,0|2,0,1]=4 1516 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,0,0,0,0|1,0,2]=4 1517 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,0,0,0,0|1,0,0]=2 1518 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,0,0,0,0|3,0,0]=4 1519 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 1520 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 1521 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,0,0,0,0|3,0,0]=4 1522 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,0,0,0,0|3,0,0]=4 1523 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [1,0,0,0,0,0|2,0,0]=3 1524 B10R1.176 Cc1nc(ccc1O)C#N 271570a_203496583355_100009884075 [1,0,0,0,0,0|2,0,1]=4 1525 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,0,0,0,0,0|1,0,2]=4 1526 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [1,0,0,0,0,0|1,0,0]=2 1527 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_100010233687_200025704644 [1,0,0,0,0,0|3,0,0]=4 1528 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_200025704644_100010233687 [1,0,0,0,0,0|3,0,0]=4 1529 B10R1.176 N#Cc1cc(c(cn1)O)O 271570a_203496583355_100016221821 [1,0,0,0,0,0|2,0,1]=4 1530 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,0,0,0,0,0|2,0,1]=4 1531 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,0,0,0,0,0|2,0,1]=4 1532 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,0,0,0,0,0|2,0,1]=4 1533 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,0,0,0,0,0|2,0,1]=4 1534 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,0,0,0,0,0|2,0,1]=4 1535 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,0,0,0,0,0|2,0,1]=4 1536 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,0,0,0,0,0|2,0,1]=4 1537 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,0,0,0,0,0|2,0,1]=4 1538 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,0,0,0,0|1,0,1]=3 1539 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,0,0,0,0|1,0,1]=3 1540 B10R1.176 N#Cc1ccc(c(n1)O)O 271570a_203496583355_200011068624 [1,0,0,0,0,0|2,0,1]=4 1541 B10R1.176 N#Cc1cnc(c(c1)O)O 271570a_203496583355_100009819929 [1,0,0,0,0,0|2,0,1]=4 1542 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,0,0,0,0,0|2,0,0]=3 1543 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,0,0,0,0,0|2,0,0]=3 1544 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,0,0,0,0,0|3,0,0]=4 1545 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,0,0,0,0,0|3,0,0]=4 1546 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,0,0,0,0,0|1,0,0]=2 1547 B10R1.176 Nc1ncc(cc1O)CO 271570a_203496583355_100012343677 [1,0,0,0,0,0|2,0,0]=3 1548 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,0,0,0,0,0|1,0,2]=4 1549 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,0,0,0,0|1,0,2]=4 1550 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,0,0,0,0|1,0,2]=4 1551 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,0,0,0,0|1,0,2]=4 1552 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,0,0,0,0|0,0,2]=3 1553 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,0,0,0,0|0,0,2]=3 1554 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,0,0,0,0,0|1,0,2]=4 1555 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,0,0,0,0,0|1,0,0]=2 1556 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,0,0,0,0,0|1,0,0]=2 1557 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,0,0,0,0,0|1,0,0]=2 1558 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,0,0,0,0|0,0,0]=1 1559 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,0,0,0,0|0,0,0]=1 1560 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,0,0,0,0,0|1,0,0]=2 1561 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [1,0,0,0,0,0|2,0,0]=3 1562 B10R1.176 OCc1cnc(c(c1)O)Cl 271570a_203496583355_200015217190 [1,0,0,0,0,0|2,0,0]=3 1563 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 1564 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 1565 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 1566 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 1567 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,0,0,0,0,0|3,0,0]=4 1568 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 1569 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 1570 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1571 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,0,0,0,0,0|3,0,0]=4 1572 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,0,0,0,0,0|3,0,0]=4 1573 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,0,0,0,0,0|3,0,0]=4 1574 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,0,0,0,0,0|3,0,0]=4 1575 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,0,0,0,0,0|3,0,0]=4 1576 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,0,0,0,0,0|3,0,0]=4 1577 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 1578 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,0,0,0,0,0|3,0,0]=4 1579 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,0,0,0,0,0|3,0,0]=4 1580 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,0,0,0,0,0|3,0,0]=4 1581 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,0,0,0,0,0|3,0,0]=4 1582 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,0,0,0,0,0|3,0,0]=4 1583 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,0,0,0,0,0|3,0,0]=4 1584 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,0,0,0,0,0|3,0,0]=4 1585 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 1586 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,0,0,0,0,0|3,0,0]=4 1587 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,0,0,0,0|2,0,0]=3 1588 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,0,0,0,0|2,0,1]=4 1589 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,1,0,0,0,0|2,0,1]=4 1590 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,1,0,0,0,0|2,0,1]=4 1591 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,1,0,0,0,0|2,0,1]=4 1592 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,1,0,0,0,0|2,0,1]=4 1593 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,1,0,0,0,0|2,0,1]=4 1594 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,0,0|1,0,1]=3 1595 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,1,0,0,0,0|2,0,1]=4 1596 B12R1.56 C=Cc1cc(ccc1F)C(C)O 271570a_100011290941_100011191524 [0,1,0,0,0,0|2,0,1]=4 1597 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,0|1,0,2]=4 1598 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,0|1,0,2]=4 1599 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,0|1,0,2]=4 1600 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,0|1,0,2]=4 1601 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,0|0,1,2]=4 1602 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [0,1,0,0,0,0|2,0,0]=3 1603 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [0,1,0,0,0,0|2,0,0]=3 1604 B12R1.56 CC(C)c1ccc(c(c1)S[13CH3])N 62a_100011218581_200025704644 [0,1,0,0,0,0|2,1,0]=4 1605 B12R1.56 CC(C)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100011218581 [0,1,0,0,0,0|2,1,0]=4 1606 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_100011191524_200025704644 [0,1,0,0,0,0|1,1,0]=3 1607 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011191524 [0,1,0,0,0,0|1,1,0]=3 1608 B12R1.56 CNc1cc(ccc1C)C(C)C 2230a_100011216979_200000210301 [0,1,0,0,0,0|3,0,0]=4 1609 B12R1.56 CNc1cc(ccc1C)C(C)C 34a_100011216979_200000210301 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.56 CNc1cc(ccc1C)C(C)C 7a_100011216979_200000210301 [0,1,0,0,0,0|3,0,0]=4 1611 B12R1.56 CNc1cc(ccc1F)C(F)F 34a_100010590353_200000210301 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.56 CNc1cc(ccc1F)C(F)F 7a_100010590353_200000210301 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [0,1,0,0,0,0|2,0,0]=3 1614 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [0,1,0,0,0,0|2,0,0]=3 1615 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|2,0,1]=4 1616 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,0|1,0,2]=4 1617 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,0,0|1,0,2]=4 1618 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,0,0|1,0,2]=4 1619 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,0|1,0,2]=4 1620 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,0,0,0,0|2,0,1]=4 1621 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,0,0,0,0|2,0,1]=4 1622 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,0|1,0,2]=4 1623 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,0|1,0,2]=4 1624 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,0|1,0,2]=4 1625 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,0|1,0,2]=4 1626 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,1,0,0,0,0|2,0,0]=3 1627 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,1,0,0,0,0|2,0,0]=3 1628 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,0,0,0,0|2,0,1]=4 1629 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,0,0,0,0|2,0,1]=4 1630 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,0|1,0,2]=4 1631 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,0|1,0,2]=4 1632 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,0,0,0,0|2,0,1]=4 1633 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,0,0,0,0|2,0,1]=4 1634 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,0|1,0,2]=4 1635 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,0|1,0,2]=4 1636 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,0|1,0,2]=4 1637 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,0|1,0,2]=4 1638 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,0,0,0,0|2,0,1]=4 1647 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,0,0,0,0|2,0,1]=4 1648 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,0|1,0,2]=4 1649 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,0|1,0,2]=4 1650 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,0,0,0,0|2,0,1]=4 1651 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,0,0,0,0|2,0,1]=4 1652 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,0,0|1,0,2]=4 1653 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,0,0|1,0,2]=4 1654 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,0,0,0,0|2,0,1]=4 1655 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,0,0,0,0|2,0,1]=4 1656 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,0,0|1,0,0]=2 1657 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,0|0,0,2]=3 1658 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,0|0,0,2]=3 1659 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,0,0|0,0,2]=3 1660 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,0|0,0,2]=3 1661 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,0,0,0,0|1,0,0]=2 1662 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,1,0,0,0,0|2,0,0]=3 1663 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200000210301_200010223333 [0,1,0,0,0,0|2,1,0]=4 1664 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200010223333_200000210301 [0,1,0,0,0,0|2,1,0]=4 1665 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_100010175509_200000210301 [0,1,0,0,0,0|2,1,0]=4 1666 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_200000210301_100010175509 [0,1,0,0,0,0|2,1,0]=4 1667 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_100011191524_200000210301 [0,1,0,0,0,0|1,1,0]=3 1668 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_200000210301_100011191524 [0,1,0,0,0,0|1,1,0]=3 1669 B12R1.56 CSc1cc(ccc1F)C(F)F 62a_100010188717_200000210301 [0,1,0,0,0,0|2,1,0]=4 1670 B12R1.56 CSc1cc(ccc1F)C(F)F 62a_200000210301_100010188717 [0,1,0,0,0,0|2,1,0]=4 1671 B12R1.56 CSc1cc(ccc1F)[C@H](C)N 62a_100000753309_200000210301 [0,1,0,0,0,0|2,1,0]=4 1672 B12R1.56 CSc1cc(ccc1F)[C@H](C)N 62a_200000210301_100000753309 [0,1,0,0,0,0|2,1,0]=4 1673 B12R1.56 CSc1cc(ccc1N)C(C)C 62a_100011218581_200000210301 [0,1,0,0,0,0|2,1,0]=4 1674 B12R1.56 CSc1cc(ccc1N)C(C)C 62a_200000210301_100011218581 [0,1,0,0,0,0|2,1,0]=4 1675 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,0|0,1,2]=4 1676 B12R1.56 C[C@H](N)c1ccc(c(c1)S[13CH3])F 62a_100000753309_200025704644 [0,1,0,0,0,0|2,1,0]=4 1677 B12R1.56 C[C@H](N)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000753309 [0,1,0,0,0,0|2,1,0]=4 1678 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 2230a_100011216979_200025704644 [0,1,0,0,0,0|3,0,0]=4 1679 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 34a_100011216979_200025704644 [0,1,0,0,0,0|3,0,0]=4 1680 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 7a_100011216979_200025704644 [0,1,0,0,0,0|3,0,0]=4 1681 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,1,0,0,0,0|2,0,0]=3 1682 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,1,0,0,0,0|2,0,0]=3 1683 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,0,0,0,0|2,0,1]=4 1684 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,0,0,0,0|2,0,1]=4 1685 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200010223333_200025704644 [0,1,0,0,0,0|2,1,0]=4 1686 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200025704644_200010223333 [0,1,0,0,0,0|2,1,0]=4 1687 B12R1.56 N#Cc1cc(ccc1O)B(O)O 271570a_203496583355_100000049296 [0,1,0,0,0,0|3,0,0]=4 1688 B12R1.56 O=Cc1cc(ccc1O)B(O)O 271570a_203496583355_200011083945 [0,1,0,0,0,0|3,0,0]=4 1689 B12R1.56 [13CH3]Nc1cc(ccc1F)C(F)F 34a_100010590353_200025704644 [0,1,0,0,0,0|3,0,0]=4 1690 B12R1.56 [13CH3]Nc1cc(ccc1F)C(F)F 7a_100010590353_200025704644 [0,1,0,0,0,0|3,0,0]=4 1691 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|2,0,1]=4 1692 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,0,0|1,0,2]=4 1693 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,0,0|1,0,2]=4 1694 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,0,0,0,0|2,0,1]=4 1695 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,0,0,0,0|2,0,1]=4 1696 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,0,0,0,0|2,0,1]=4 1697 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,0,0,0,0|2,0,1]=4 1698 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,0,0,0,0|2,0,1]=4 1699 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,0,0,0,0|2,0,1]=4 1700 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,0,0,0,0|2,0,1]=4 1701 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,0,0,0,0|2,0,1]=4 1702 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,0,0|1,0,2]=4 1703 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,0,0|1,0,2]=4 1704 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,0,0,0,0|2,0,1]=4 1705 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,0,0,0,0|2,0,1]=4 1706 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_100010175509_200025704644 [0,1,0,0,0,0|2,1,0]=4 1707 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_200025704644_100010175509 [0,1,0,0,0,0|2,1,0]=4 1708 B12R1.56 [13CH3]Sc1cc(ccc1F)C(F)F 62a_100010188717_200025704644 [0,1,0,0,0,0|2,1,0]=4 1709 B12R1.56 [13CH3]Sc1cc(ccc1F)C(F)F 62a_200025704644_100010188717 [0,1,0,0,0,0|2,1,0]=4 1710 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [0,1,0,0,0,0|2,0,1]=4 1711 B12R1.78 C=Cc1cc(ccc1C#N)CO 271570a_100011290941_100009876504 [0,1,0,0,0,0|2,0,1]=4 1712 B12R1.78 C=Cc1cc(ccc1CO)CO 271570a_100011290941_100010881536 [0,1,0,0,0,0|1,0,1]=3 1713 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [0,1,0,0,0,0|2,0,1]=4 1714 B12R1.78 C=Cc1cc(ccc1OC)CN 271570a_100011290941_100159240714 [0,1,0,0,0,0|2,0,1]=4 1715 B12R1.78 C=Cc1cc(ccc1OC)CO 271570a_100011290941_100000246451 [0,1,0,0,0,0|1,0,1]=3 1716 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,1,0,0,0,0|2,0,1]=4 1717 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,1,0,0,0,0|2,0,1]=4 1718 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,1,0,0,0,0|1,0,2]=4 1719 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,1,0,0,0,0|2,0,1]=4 1720 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,1,0,0,0,0|1,0,1]=3 1721 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,1,0,0,0,0|1,0,1]=3 1722 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,1,0,0,0,0|1,0,1]=3 1723 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,1,0,0,0,0|1,0,1]=3 1724 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,1,0,0,0,0|1,1,1]=4 1725 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,1,0,0,0,0|1,1,1]=4 1726 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [0,1,0,0,0,0|2,0,1]=4 1727 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [0,1,0,0,0,0|2,0,1]=4 1728 B12R1.78 C=Cc1ccc(cc1C#N)CO 271570a_100011290941_100010145894 [0,1,0,0,0,0|3,0,0]=4 1729 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,1,0,0,0,0|2,0,1]=4 1730 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,1,0,0,0,0|1,0,2]=4 1731 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,1,0,0,0,0|2,0,0]=3 1732 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,1,0,0,0,0|1,0,0]=2 1733 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,1,0,0,0,0|3,0,0]=4 1734 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [0,1,0,0,0,0|2,0,1]=4 1735 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [0,1,0,0,0,0|2,0,1]=4 1736 B12R1.78 C=Cc1cnc(cc1OC)CO 271570a_100011290941_100010999569 [0,1,0,0,0,0|2,0,0]=3 1737 B12R1.78 C=Cc1nc(ccc1OC)CO 271570a_100011290941_100009842956 [0,1,0,0,0,0|2,0,1]=4 1738 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,1,0,0,0,0|3,0,0]=4 1739 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,1,0,0,0,0|2,0,0]=3 1743 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,1,0,0,0,0|2,0,0]=3 1744 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,1,0,0,0,0|2,0,0]=3 1745 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,1,0,0,0,0|2,0,0]=3 1746 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,1,0,0,0,0|1,0,0]=2 1747 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,1,0,0,0,0|1,0,0]=2 1748 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,1,0,0,0,0|1,0,0]=2 1749 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,1,0,0,0,0|1,0,0]=2 1750 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,1,0,0,0,0|1,0,0]=2 1751 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,1,0,0,0,0|1,0,0]=2 1752 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,1,0,0,0,0|1,1,0]=3 1753 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,1,0,0,0,0|1,1,0]=3 1754 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,1,0,0,0,0|1,1,0]=3 1755 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,1,0,0,0,0|1,1,0]=3 1756 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,1,0,0,0,0|1,0,0]=2 1757 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,1,0,0,0,0|1,0,0]=2 1758 B12R1.78 CCc1ccc(c(c1)SC)C#N 62a_200000210301_100010295696 [0,1,0,0,0,0|2,1,0]=4 1759 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,1,0,0,0,0|1,1,0]=3 1760 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,1,0,0,0,0|1,1,0]=3 1761 B12R1.78 CCc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100010295696 [0,1,0,0,0,0|2,1,0]=4 1762 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,1,0,0,0,0|1,1,0]=3 1763 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,1,0,0,0,0|1,1,0]=3 1764 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.78 CNc1cc(ccc1CO)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1770 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1771 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [0,1,0,0,0,0|1,0,0]=2 1772 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [0,1,0,0,0,0|1,0,0]=2 1773 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,1,0,0,0,0|2,0,0]=3 1777 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,1,0,0,0,0|2,0,0]=3 1778 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,1,0,0,0,0|2,1,0]=4 1779 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,1,0,0,0,0|2,1,0]=4 1780 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,1,0,0,0,0|2,1,0]=4 1781 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,1,0,0,0,0|2,1,0]=4 1782 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,1,0,0,0,0|2,0,1]=4 1783 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,1,0,0,0,0|1,0,0]=2 1784 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,1,0,0,0,0|1,0,0]=2 1785 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1786 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1787 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,1,0,0,0,0|3,0,0]=4 1788 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,1,0,0,0,0|3,0,0]=4 1789 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,1,0,0,0,0|3,0,0]=4 1790 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,1,0,0,0,0|3,0,0]=4 1791 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,1,0,0,0,0|3,0,0]=4 1792 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,1,0,0,0,0|2,0,1]=4 1793 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,1,0,0,0,0|2,0,1]=4 1794 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,1,0,0,0,0|2,0,1]=4 1795 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,1,0,0,0,0|2,0,1]=4 1796 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,1,0,0,0,0|0,0,0]=1 1797 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,1,0,0,0,0|2,0,0]=3 1798 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,1,0,0,0,0|2,0,0]=3 1799 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,1,0,0,0,0|2,0,0]=3 1800 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,1,0,0,0,0|2,0,0]=3 1801 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,1,0,0,0,0|2,0,0]=3 1802 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,1,0,0,0,0|2,0,0]=3 1803 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,1,0,0,0,0|2,0,1]=4 1804 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,1,0,0,0,0|1,0,0]=2 1805 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,1,0,0,0,0|1,0,0]=2 1806 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,1,0,0,0,0|3,0,0]=4 1807 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,1,0,0,0,0|3,0,0]=4 1808 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1809 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1810 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,1,0,0,0,0|1,0,0]=2 1811 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,1,0,0,0,0|1,1,1]=4 1812 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,1,0,0,0,0|0,1,2]=4 1813 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,1,0,0,0,0|0,1,2]=4 1814 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,1,0,0,0,0|0,1,0]=2 1815 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,1,0,0,0,0|0,1,0]=2 1816 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,1,0,0,0,0|2,1,0]=4 1817 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,1,0,0,0,0|2,1,0]=4 1818 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,1,0,0,0,0|1,1,1]=4 1819 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,1,0,0,0,0|0,1,2]=4 1820 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,1,0,0,0,0|0,1,2]=4 1821 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,1,0,0,0,0|0,1,0]=2 1822 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,1,0,0,0,0|0,1,0]=2 1823 B12R1.78 COc1cc(cnc1CO)SC 62a_200000210301_200010246159 [0,1,0,0,0,0|3,0,0]=4 1824 B12R1.78 COc1cc(cnc1CO)SC 62a_200010246159_200000210301 [0,1,0,0,0,0|3,0,0]=4 1825 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200010246159_200025704644 [0,1,0,0,0,0|3,0,0]=4 1826 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200025704644_200010246159 [0,1,0,0,0,0|3,0,0]=4 1827 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [0,1,0,0,0,0|3,0,0]=4 1828 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [0,1,0,0,0,0|3,0,0]=4 1829 B12R1.78 COc1cc(ncc1CO)SC 62a_100010714672_200000210301 [0,1,0,0,0,0|3,0,0]=4 1830 B12R1.78 COc1cc(ncc1CO)SC 62a_200000210301_100010714672 [0,1,0,0,0,0|3,0,0]=4 1831 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_100010714672_200025704644 [0,1,0,0,0,0|3,0,0]=4 1832 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010714672 [0,1,0,0,0,0|3,0,0]=4 1833 B12R1.78 COc1cc(ncc1SC)CO 62a_100010999569_200000210301 [0,1,0,0,0,0|1,1,0]=3 1834 B12R1.78 COc1cc(ncc1SC)CO 62a_200000210301_100010999569 [0,1,0,0,0,0|1,1,0]=3 1835 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_100010999569_200025704644 [0,1,0,0,0,0|1,1,0]=3 1836 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_200025704644_100010999569 [0,1,0,0,0,0|1,1,0]=3 1837 B12R1.78 COc1ccc(c(c1)N[13CH3])CO 34a_100011998734_200025704644 [0,1,0,0,0,0|3,0,0]=4 1838 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 1839 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 1840 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,1,0,0,0,0|3,0,0]=4 1841 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,1,0,0,0,0|3,0,0]=4 1842 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,1,0,0,0,0|2,0,0]=3 1843 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,1,0,0,0,0|2,0,1]=4 1844 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,1,0,0,0,0|2,0,1]=4 1845 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1846 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1847 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,1,0,0,0,0|2,0,0]=3 1848 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,1,0,0,0,0|2,0,0]=3 1849 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,1,0,0,0,0|2,0,0]=3 1850 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,1,0,0,0,0|2,0,0]=3 1851 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,1,0,0,0,0|2,1,0]=4 1852 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,1,0,0,0,0|2,1,0]=4 1853 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,1,0,0,0,0|2,1,0]=4 1854 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,1,0,0,0,0|2,1,0]=4 1855 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,1,0,0,0,0|3,0,0]=4 1856 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,1,0,0,0,0|3,0,0]=4 1857 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,1,0,0,0,0|2,0,1]=4 1858 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,1,0,0,0,0|2,0,1]=4 1859 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,1,0,0,0,0|2,0,0]=3 1860 B12R1.78 COc1ccc(c(c1)SC)CO 62a_100011982768_200000210301 [0,1,0,0,0,0|2,1,0]=4 1861 B12R1.78 COc1ccc(c(c1)SC)CO 62a_200000210301_100011982768 [0,1,0,0,0,0|2,1,0]=4 1862 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,1,0,0,0,0|2,1,0]=4 1863 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,1,0,0,0,0|2,1,0]=4 1864 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_100011982768_200025704644 [0,1,0,0,0,0|2,1,0]=4 1865 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_200025704644_100011982768 [0,1,0,0,0,0|2,1,0]=4 1866 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,1,0,0,0,0|2,1,0]=4 1867 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,1,0,0,0,0|2,1,0]=4 1868 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,1,0,0,0,0|3,0,0]=4 1869 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,1,0,0,0,0|3,0,0]=4 1870 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1871 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1872 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [0,1,0,0,0,0|1,0,0]=2 1873 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [0,1,0,0,0,0|1,0,0]=2 1874 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1875 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,1,0,0,0,0|1,0,1]=3 1876 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1877 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,1,0,0,0,0|1,0,1]=3 1878 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,1,0,0,0,0|1,0,0]=2 1879 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,1,0,0,0,0|1,0,0]=2 1880 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,1,0,0,0,0|0,0,0]=1 1881 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,1,0,0,0,0|2,0,0]=3 1882 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,1,0,0,0,0|2,0,0]=3 1883 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,1,0,0,0,0|2,0,0]=3 1884 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,1,0,0,0,0|2,0,0]=3 1885 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,1,0,0,0,0|1,0,1]=3 1886 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,1,0,0,0,0|1,0,1]=3 1887 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,1,0,0,0,0|1,0,0]=2 1888 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,1,0,0,0,0|0,0,0]=1 1889 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [0,1,0,0,0,0|1,1,1]=4 1890 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,1,0,0,0,0|0,1,2]=4 1891 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,1,0,0,0,0|0,1,2]=4 1892 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [0,1,0,0,0,0|1,1,0]=3 1893 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [0,1,0,0,0,0|1,1,0]=3 1894 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [0,1,0,0,0,0|0,1,0]=2 1895 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [0,1,0,0,0,0|0,1,0]=2 1896 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,1,0,0,0,0|2,1,0]=4 1897 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,1,0,0,0,0|2,1,0]=4 1898 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [0,1,0,0,0,0|1,1,1]=4 1899 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,1,0,0,0,0|0,1,2]=4 1900 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,1,0,0,0,0|0,1,2]=4 1901 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [0,1,0,0,0,0|1,1,0]=3 1902 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [0,1,0,0,0,0|1,1,0]=3 1903 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [0,1,0,0,0,0|0,1,0]=2 1904 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [0,1,0,0,0,0|0,1,0]=2 1905 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [0,1,0,0,0,0|3,0,0]=4 1906 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [0,1,0,0,0,0|3,0,0]=4 1907 B12R1.78 COc1ccc(nc1SC)CO 62a_100009842956_200000210301 [0,1,0,0,0,0|1,1,0]=3 1908 B12R1.78 COc1ccc(nc1SC)CO 62a_200000210301_100009842956 [0,1,0,0,0,0|1,1,0]=3 1909 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_100009842956_200025704644 [0,1,0,0,0,0|1,1,0]=3 1910 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_200025704644_100009842956 [0,1,0,0,0,0|1,1,0]=3 1911 B12R1.78 COc1nc(ccc1CO)SC 62a_100010988397_200000210301 [0,1,0,0,0,0|3,0,0]=4 1912 B12R1.78 COc1nc(ccc1CO)SC 62a_200000210301_100010988397 [0,1,0,0,0,0|3,0,0]=4 1913 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_100010988397_200025704644 [0,1,0,0,0,0|3,0,0]=4 1914 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_200025704644_100010988397 [0,1,0,0,0,0|3,0,0]=4 1915 B12R1.78 CSc1cc(ccc1C#N)CO 62a_200000210301_100009876504 [0,1,0,0,0,0|1,1,0]=3 1916 B12R1.78 CSc1cc(ccc1CO)C#N 62a_200000210301_100010214422 [0,1,0,0,0,0|1,1,1]=4 1917 B12R1.78 CSc1cc(ccc1CO)CO 62a_100010881536_200000210301 [0,1,0,0,0,0|0,1,0]=2 1918 B12R1.78 CSc1cc(ccc1CO)CO 62a_200000210301_100010881536 [0,1,0,0,0,0|0,1,0]=2 1919 B12R1.78 CSc1ccc(cc1C#N)CO 62a_200000210301_100010145894 [0,1,0,0,0,0|2,1,0]=4 1920 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,1,0,0,0,0|0,0,0]=1 1921 B12R1.78 [13CH3]Sc1cc(ccc1C#N)CO 62a_200025704644_100009876504 [0,1,0,0,0,0|1,1,0]=3 1922 B12R1.78 [13CH3]Sc1cc(ccc1CO)C#N 62a_200025704644_100010214422 [0,1,0,0,0,0|1,1,1]=4 1923 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_100010881536_200025704644 [0,1,0,0,0,0|0,1,0]=2 1924 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_200025704644_100010881536 [0,1,0,0,0,0|0,1,0]=2 1925 B12R1.78 [13CH3]Sc1ccc(cc1C#N)CO 62a_200025704644_100010145894 [0,1,0,0,0,0|2,1,0]=4 1926 B12R1.270 C=C=Cc1cc(ccc1C)CO 271570a_100015277604_100000050133 [0,1,0,0,0,0|2,0,1]=4 1927 B12R1.270 C=C=Cc1cc(ccc1F)CO 271570a_100015277604_100000246287 [0,1,0,0,0,0|2,0,1]=4 1928 B12R1.270 C=C=Cc1cc(ccc1O)CC 271570a_100015277604_100012339963 [0,1,0,0,0,0|2,0,1]=4 1929 B12R1.270 C=C=Cc1cc(ccc1O)CO 271570a_100015277604_100011191544 [0,1,0,0,0,0|1,0,1]=3 1930 B12R1.270 C=C=Cc1nc(ccc1O)CO 271570a_100015277604_200000118097 [0,1,0,0,0,0|2,0,1]=4 1931 B12R1.270 C=Cc1ccc(c(c1)CNC)O 271570a_100011290941_100011602694 [0,1,0,0,0,0|2,0,1]=4 1932 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [0,1,0,0,0,0|2,0,1]=4 1933 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [0,1,0,0,0,0|2,0,1]=4 1934 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [0,1,0,0,0,0|2,0,1]=4 1935 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [0,1,0,0,0,0|2,0,1]=4 1936 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [0,1,0,0,0,0|2,0,1]=4 1937 B12R1.270 CC=Cc1cc(ccc1C)CO 271570a_100016259895_100000050133 [0,1,0,0,0,0|2,0,0]=3 1938 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [0,1,0,0,0,0|3,0,0]=4 1939 B12R1.270 CC=Cc1cc(ccc1F)CN 271570a_100016259895_100015193890 [0,1,0,0,0,0|3,0,0]=4 1940 B12R1.270 CC=Cc1cc(ccc1F)CO 271570a_100016259895_100000246287 [0,1,0,0,0,0|2,0,0]=3 1941 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [0,1,0,0,0,0|3,0,0]=4 1942 B12R1.270 CC=Cc1cc(ccc1O)C#N 271570a_100016259895_100000725478 [0,1,0,0,0,0|2,0,1]=4 1943 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [0,1,0,0,0,0|1,0,2]=4 1944 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [0,1,0,0,0,0|2,0,0]=3 1945 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [0,1,0,0,0,0|1,0,0]=2 1946 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,1,0,0,0,0|3,0,0]=4 1947 B12R1.270 CC=Cc1cc(cnc1Cl)CO 271570a_100016259895_200015217190 [0,1,0,0,0,0|3,0,0]=4 1948 B12R1.270 CC=Cc1cc(cnc1N)CO 271570a_100016259895_100012343677 [0,1,0,0,0,0|3,0,0]=4 1949 B12R1.270 CC=Cc1cc(ncc1C)CO 271570a_100016259895_100010113723 [0,1,0,0,0,0|3,0,0]=4 1950 B12R1.270 CC=Cc1nc(ccc1O)CO 271570a_100016259895_200000118097 [0,1,0,0,0,0|2,0,0]=3 1951 B12R1.270 CCNc1cc(ccc1Br)CO 34a_100012347568_100000210202 [0,1,0,0,0,0|2,0,0]=3 1952 B12R1.270 CCNc1cc(ccc1C)CC 2230a_200012022522_100000210202 [0,1,0,0,0,0|3,0,0]=4 1953 B12R1.270 CCNc1cc(ccc1C)CC 34a_200012022522_100000210202 [0,1,0,0,0,0|3,0,0]=4 1954 B12R1.270 CCNc1cc(ccc1C)CC 7a_200012022522_100000210202 [0,1,0,0,0,0|3,0,0]=4 1955 B12R1.270 CCNc1cc(ccc1C)CO 2230a_100000758420_100000210202 [0,1,0,0,0,0|2,0,0]=3 1956 B12R1.270 CCNc1cc(ccc1C)CO 34a_100000758420_100000210202 [0,1,0,0,0,0|2,0,0]=3 1957 B12R1.270 CCNc1cc(ccc1Cl)CO 34a_106256033963_100000210202 [0,1,0,0,0,0|2,0,0]=3 1958 B12R1.270 CCNc1cc(ccc1F)CO 2230a_102125399562_100000210202 [0,1,0,0,0,0|2,0,0]=3 1959 B12R1.270 CCNc1cc(ccc1F)CO 34a_102125399562_100000210202 [0,1,0,0,0,0|2,0,0]=3 1960 B12R1.270 CCNc1cc(ccc1O)C#N 34a_100000766272_100000210202 [0,1,0,0,0,0|2,0,1]=4 1961 B12R1.270 CCNc1cc(ccc1O)C#N 7a_100000766272_100000210202 [0,1,0,0,0,0|2,0,1]=4 1962 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [0,1,0,0,0,0|2,0,0]=3 1963 B12R1.270 CCNc1cc(ccc1O)CO 34a_100000123545_100000210202 [0,1,0,0,0,0|1,0,0]=2 1964 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.270 CCOc1cc(ccc1Br)C#N 34a_100009877741_100000210202 [0,1,0,0,0,0|2,0,1]=4 1966 B12R1.270 CCOc1cc(ccc1Br)C#N 7a_100009877741_100000210202 [0,1,0,0,0,0|2,0,1]=4 1967 B12R1.270 CCOc1cc(ccc1Br)CO 34a_100010191536_100000210202 [0,1,0,0,0,0|1,0,0]=2 1968 B12R1.270 CCOc1cc(ccc1Br)CO 7a_100010191536_100000210202 [0,1,0,0,0,0|1,0,0]=2 1969 B12R1.270 CCOc1cc(ccc1Br)NC 2230a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1970 B12R1.270 CCOc1cc(ccc1Br)NC 34a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1971 B12R1.270 CCOc1cc(ccc1Br)NC 7a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1972 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 2230a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1973 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 34a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1974 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 7a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1975 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [0,1,0,0,0,0|3,0,0]=4 1976 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [0,1,0,0,0,0|3,0,0]=4 1977 B12R1.270 CCOc1cc(ccc1C)C#N 34a_100000765541_100000210202 [0,1,0,0,0,0|2,0,1]=4 1978 B12R1.270 CCOc1cc(ccc1C)C#N 7a_100000765541_100000210202 [0,1,0,0,0,0|2,0,1]=4 1979 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [0,1,0,0,0,0|3,0,0]=4 1980 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [0,1,0,0,0,0|3,0,0]=4 1981 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [0,1,0,0,0,0|3,0,0]=4 1982 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [0,1,0,0,0,0|3,0,0]=4 1983 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [0,1,0,0,0,0|3,0,0]=4 1984 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [0,1,0,0,0,0|3,0,0]=4 1985 B12R1.270 CCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210202 [0,1,0,0,0,0|2,0,1]=4 1986 B12R1.270 CCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210202 [0,1,0,0,0,0|2,0,1]=4 1987 B12R1.270 CCOc1cc(ccc1Cl)CN 34a_100020636435_100000210202 [0,1,0,0,0,0|2,0,0]=3 1988 B12R1.270 CCOc1cc(ccc1Cl)CO 34a_100009876509_100000210202 [0,1,0,0,0,0|1,0,0]=2 1989 B12R1.270 CCOc1cc(ccc1Cl)CO 7a_100009876509_100000210202 [0,1,0,0,0,0|1,0,0]=2 1990 B12R1.270 CCOc1cc(ccc1Cl)NC 2230a_100011964961_200000210301 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.270 CCOc1cc(ccc1Cl)NC 34a_100011964961_200000210301 [0,1,0,0,0,0|3,0,0]=4 1992 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 2230a_100011964961_200025704644 [0,1,0,0,0,0|3,0,0]=4 1993 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 34a_100011964961_200025704644 [0,1,0,0,0,0|3,0,0]=4 1994 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [0,1,0,0,0,0|3,0,0]=4 1995 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [0,1,0,0,0,0|3,0,0]=4 1996 B12R1.270 CCOc1cc(ccc1F)C#N 34a_100000069402_100000210202 [0,1,0,0,0,0|2,0,1]=4 1997 B12R1.270 CCOc1cc(ccc1F)C#N 7a_100000069402_100000210202 [0,1,0,0,0,0|2,0,1]=4 1998 B12R1.270 CCOc1cc(ccc1F)CN 34a_100160469508_100000210202 [0,1,0,0,0,0|2,0,0]=3 1999 B12R1.270 CCOc1cc(ccc1F)CO 34a_100009842347_100000210202 [0,1,0,0,0,0|1,0,0]=2 2000 B12R1.270 CCOc1cc(ccc1F)CO 7a_100009842347_100000210202 [0,1,0,0,0,0|1,0,0]=2 2001 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [0,1,0,0,0,0|3,0,0]=4 2002 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.270 CCOc1cc(ccc1F)SC 62a_200000210301_200012344967 [0,1,0,0,0,0|3,0,0]=4 2004 B12R1.270 CCOc1cc(ccc1F)SC 62a_200012344967_200000210301 [0,1,0,0,0,0|3,0,0]=4 2005 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200012344967_200025704644 [0,1,0,0,0,0|3,0,0]=4 2006 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200025704644_200012344967 [0,1,0,0,0,0|3,0,0]=4 2007 B12R1.270 CCOc1cc(ccc1I)C#N 34a_100000724445_100000210202 [0,1,0,0,0,0|2,0,1]=4 2008 B12R1.270 CCOc1cc(ccc1I)C#N 7a_100000724445_100000210202 [0,1,0,0,0,0|2,0,1]=4 2009 B12R1.270 CCOc1cc(ccc1I)CO 34a_100000049605_100000210202 [0,1,0,0,0,0|1,0,0]=2 2010 B12R1.270 CCOc1cc(ccc1I)CO 7a_100000049605_100000210202 [0,1,0,0,0,0|1,0,0]=2 2011 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [0,1,0,0,0,0|3,0,0]=4 2012 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.270 CCOc1cc(ccc1N)C#N 34a_100011997735_100000210202 [0,1,0,0,0,0|2,0,1]=4 2014 B12R1.270 CCOc1cc(ccc1N)C#N 7a_100011997735_100000210202 [0,1,0,0,0,0|2,0,1]=4 2015 B12R1.270 CCOc1cc(ccc1N)CC 34a_100000124328_100000210202 [0,1,0,0,0,0|2,0,0]=3 2016 B12R1.270 CCOc1cc(ccc1N)CC 7a_100000124328_100000210202 [0,1,0,0,0,0|2,0,0]=3 2017 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [0,1,0,0,0,0|3,0,0]=4 2018 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.270 CCOc1cc(ccc1N)SC 62a_100000688918_200000210301 [0,1,0,0,0,0|3,0,0]=4 2020 B12R1.270 CCOc1cc(ccc1N)S[13CH3] 62a_100000688918_200025704644 [0,1,0,0,0,0|3,0,0]=4 2021 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [0,1,0,0,0,0|0,0,2]=3 2022 B12R1.270 CCSc1cc(ccc1C)CO 62a_100000210202_100000708995 [0,1,0,0,0,0|1,1,0]=3 2023 B12R1.270 CCSc1cc(ccc1C)CO 62a_100000708995_100000210202 [0,1,0,0,0,0|1,1,0]=3 2024 B12R1.270 CCSc1cc(ccc1F)CC 62a_100000210202_200010244628 [0,1,0,0,0,0|2,1,0]=4 2025 B12R1.270 CCSc1cc(ccc1F)CC 62a_200010244628_100000210202 [0,1,0,0,0,0|2,1,0]=4 2026 B12R1.270 CCSc1cc(ccc1F)CN 62a_100000210202_100015193890 [0,1,0,0,0,0|2,1,0]=4 2027 B12R1.270 CCSc1cc(ccc1F)CN 62a_100015193890_100000210202 [0,1,0,0,0,0|2,1,0]=4 2028 B12R1.270 CCSc1cc(ccc1F)CO 62a_100000210202_100000246287 [0,1,0,0,0,0|1,1,0]=3 2029 B12R1.270 CCSc1cc(ccc1F)CO 62a_100000246287_100000210202 [0,1,0,0,0,0|1,1,0]=3 2030 B12R1.270 CCSc1cc(ccc1N)CC 62a_100000210202_100012339725 [0,1,0,0,0,0|2,1,0]=4 2031 B12R1.270 CCSc1cc(ccc1N)CC 62a_100012339725_100000210202 [0,1,0,0,0,0|2,1,0]=4 2032 B12R1.270 CCSc1cc(ccc1O)C#N 62a_100000210202_100000725478 [0,1,0,0,0,0|1,1,1]=4 2033 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [0,1,0,0,0,0|0,1,2]=4 2034 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [0,1,0,0,0,0|0,1,2]=4 2035 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [0,1,0,0,0,0|1,1,0]=3 2036 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [0,1,0,0,0,0|1,1,0]=3 2037 B12R1.270 CCSc1cc(ccc1O)CO 62a_100000210202_100011191544 [0,1,0,0,0,0|0,1,0]=2 2038 B12R1.270 CCSc1cc(ccc1O)CO 62a_100011191544_100000210202 [0,1,0,0,0,0|0,1,0]=2 2039 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [0,1,0,0,0,0|2,1,0]=4 2040 B12R1.270 CCSc1cc(cnc1Cl)CO 62a_100000210202_200015217190 [0,1,0,0,0,0|2,1,0]=4 2041 B12R1.270 CCSc1cc(cnc1Cl)CO 62a_200015217190_100000210202 [0,1,0,0,0,0|2,1,0]=4 2042 B12R1.270 CCSc1cc(cnc1N)CO 62a_100000210202_100012343677 [0,1,0,0,0,0|2,1,0]=4 2043 B12R1.270 CCSc1cc(cnc1N)CO 62a_100012343677_100000210202 [0,1,0,0,0,0|2,1,0]=4 2044 B12R1.270 CCSc1cc(ncc1C)CO 62a_100000210202_100010113723 [0,1,0,0,0,0|2,1,0]=4 2045 B12R1.270 CCSc1cc(ncc1C)CO 62a_100010113723_100000210202 [0,1,0,0,0,0|2,1,0]=4 2046 B12R1.270 CCSc1nc(ccc1O)CO 62a_100000210202_200000118097 [0,1,0,0,0,0|1,1,0]=3 2047 B12R1.270 CCSc1nc(ccc1O)CO 62a_200009817064_100000210202 [0,1,0,0,0,0|1,1,0]=3 2048 B12R1.270 CCc1ccc(c(c1)NCF)C 34a_200012022522_100015361967 [0,1,0,0,0,0|3,0,0]=4 2049 B12R1.270 CCc1ccc(c(c1)NCF)C 7a_200012022522_100015361967 [0,1,0,0,0,0|3,0,0]=4 2050 B12R1.270 CCc1ccc(c(c1)NCF)O 34a_100000765835_100015361967 [0,1,0,0,0,0|2,0,0]=3 2051 B12R1.270 CCc1ccc(c(c1)OCF)N 34a_100000124328_100015361967 [0,1,0,0,0,0|2,0,0]=3 2052 B12R1.270 CCc1ccc(c(c1)OCF)N 7a_100000124328_100015361967 [0,1,0,0,0,0|2,0,0]=3 2053 B12R1.270 CCc1ccc(c(c1)SCF)F 62a_100015361967_200010244628 [0,1,0,0,0,0|2,1,0]=4 2054 B12R1.270 CCc1ccc(c(c1)SCF)F 62a_200010244628_100015361967 [0,1,0,0,0,0|2,1,0]=4 2055 B12R1.270 CCc1ccc(c(c1)SCF)N 62a_100012339725_100015361967 [0,1,0,0,0,0|2,1,0]=4 2056 B12R1.270 CCc1ccc(c(c1)SCF)N 62a_100015361967_100012339725 [0,1,0,0,0,0|2,1,0]=4 2057 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100012339963_100015361967 [0,1,0,0,0,0|1,1,0]=3 2058 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100015361967_100012339963 [0,1,0,0,0,0|1,1,0]=3 2059 B12R1.270 CNCc1cc(ccc1Br)CO 26a_100102657272_100010191536 [0,1,0,0,0,0|2,0,0]=3 2060 B12R1.270 CNCc1cc(ccc1Cl)CO 26a_100102657272_100009876509 [0,1,0,0,0,0|2,0,0]=3 2061 B12R1.270 CNCc1cc(ccc1F)CO 26a_100102657272_100009842347 [0,1,0,0,0,0|2,0,0]=3 2062 B12R1.270 CNCc1cc(ccc1O)SC 62a_100011602694_200000210301 [0,1,0,0,0,0|3,0,0]=4 2063 B12R1.270 CNCc1cc(ccc1O)SC 62a_200000210301_100011602694 [0,1,0,0,0,0|3,0,0]=4 2064 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_100011602694_200025704644 [0,1,0,0,0,0|3,0,0]=4 2065 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100011602694 [0,1,0,0,0,0|3,0,0]=4 2066 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100010246249_200000210301 [0,1,0,0,0,0|2,0,1]=4 2067 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100138415774_100012145668 [0,1,0,0,0,0|2,0,1]=4 2068 B12R1.270 COCc1cc(ccc1Br)C#N 7a_100010246249_200000210301 [0,1,0,0,0,0|2,0,1]=4 2069 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [0,1,0,0,0,0|3,0,0]=4 2070 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [0,1,0,0,0,0|3,0,0]=4 2071 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [0,1,0,0,0,0|3,0,0]=4 2072 B12R1.270 COCc1cc(ccc1Br)SC 62a_200000210301_202125822959 [0,1,0,0,0,0|3,0,0]=4 2073 B12R1.270 COCc1cc(ccc1Br)SC 62a_202125822959_200000210301 [0,1,0,0,0,0|3,0,0]=4 2074 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_200025704644_202125822959 [0,1,0,0,0,0|3,0,0]=4 2075 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_202125822959_200025704644 [0,1,0,0,0,0|3,0,0]=4 2076 B12R1.270 COCc1cc(ccc1C)C#N 34a_200009860882_200000210301 [0,1,0,0,0,0|2,0,1]=4 2077 B12R1.270 COCc1cc(ccc1C)C#N 7a_200009860882_200000210301 [0,1,0,0,0,0|2,0,1]=4 2078 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [0,1,0,0,0,0|3,0,0]=4 2079 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [0,1,0,0,0,0|3,0,0]=4 2080 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [0,1,0,0,0,0|3,0,0]=4 2081 B12R1.270 COCc1cc(ccc1F)C#N 34a_100000757149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2082 B12R1.270 COCc1cc(ccc1F)C#N 7a_100000757149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2083 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [0,1,0,0,0,0|3,0,0]=4 2084 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [0,1,0,0,0,0|3,0,0]=4 2085 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [0,1,0,0,0,0|3,0,0]=4 2086 B12R1.270 COCc1cc(ccc1F)SC 62a_100010140362_200000210301 [0,1,0,0,0,0|3,0,0]=4 2087 B12R1.270 COCc1cc(ccc1F)SC 62a_200000210301_100010140362 [0,1,0,0,0,0|3,0,0]=4 2088 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_100010140362_200025704644 [0,1,0,0,0,0|3,0,0]=4 2089 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010140362 [0,1,0,0,0,0|3,0,0]=4 2090 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [0,1,0,0,0,0|3,0,0]=4 2091 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [0,1,0,0,0,0|3,0,0]=4 2092 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [0,1,0,0,0,0|3,0,0]=4 2093 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [0,1,0,0,0,0|3,0,0]=4 2094 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [0,1,0,0,0,0|3,0,0]=4 2095 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [0,1,0,0,0,0|3,0,0]=4 2096 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [0,1,0,0,0,0|3,0,0]=4 2097 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [0,1,0,0,0,0|3,0,0]=4 2098 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [0,1,0,0,0,0|3,0,0]=4 2099 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [0,1,0,0,0,0|3,0,0]=4 2100 B12R1.270 COc1ccc(c(c1)OCF)Br 34a_100000719091_100015361967 [0,1,0,0,0,0|3,0,0]=4 2101 B12R1.270 COc1ccc(c(c1)OCF)Br 7a_100000719091_100015361967 [0,1,0,0,0,0|3,0,0]=4 2102 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [0,1,0,0,0,0|3,0,0]=4 2103 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [0,1,0,0,0,0|3,0,0]=4 2104 B12R1.270 COc1ccc(c(c1)OCF)Cl 34a_100011516019_100015361967 [0,1,0,0,0,0|3,0,0]=4 2105 B12R1.270 COc1ccc(c(c1)OCF)Cl 7a_100011516019_100015361967 [0,1,0,0,0,0|3,0,0]=4 2106 B12R1.270 COc1ccc(c(c1)OCF)F 34a_100012178750_100015361967 [0,1,0,0,0,0|3,0,0]=4 2107 B12R1.270 COc1ccc(c(c1)OCF)F 7a_100012178750_100015361967 [0,1,0,0,0,0|3,0,0]=4 2108 B12R1.270 COc1ccc(c(c1)OCF)I 34a_100010168831_100015361967 [0,1,0,0,0,0|3,0,0]=4 2109 B12R1.270 COc1ccc(c(c1)OCF)I 7a_100010168831_100015361967 [0,1,0,0,0,0|3,0,0]=4 2110 B12R1.270 COc1ccc(c(c1)OCF)N 34a_100016989039_100015361967 [0,1,0,0,0,0|3,0,0]=4 2111 B12R1.270 COc1ccc(c(c1)OCF)N 7a_100016989039_100015361967 [0,1,0,0,0,0|3,0,0]=4 2112 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [0,1,0,0,0,0|2,1,0]=4 2113 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 34a_200009860882_200025704644 [0,1,0,0,0,0|2,0,1]=4 2114 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 7a_200009860882_200025704644 [0,1,0,0,0,0|2,0,1]=4 2115 B12R1.270 Cc1ccc(cc1NCF)CO 34a_100000758420_100015361967 [0,1,0,0,0,0|2,0,0]=3 2116 B12R1.270 Cc1ccc(cc1OCF)C#N 34a_100000765541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2117 B12R1.270 Cc1ccc(cc1OCF)C#N 7a_100000765541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2118 B12R1.270 Cc1ccc(cc1SCF)CO 62a_100000708995_100015361967 [0,1,0,0,0,0|1,1,0]=3 2119 B12R1.270 Cc1ccc(cc1SCF)CO 62a_100015361967_100000708995 [0,1,0,0,0,0|1,1,0]=3 2120 B12R1.270 Cc1cnc(cc1SCF)CO 62a_100010113723_100015361967 [0,1,0,0,0,0|2,1,0]=4 2121 B12R1.270 Cc1cnc(cc1SCF)CO 62a_100015361967_100010113723 [0,1,0,0,0,0|2,1,0]=4 2122 B12R1.270 N#Cc1ccc(c(c1)NCF)O 34a_100000766272_100015361967 [0,1,0,0,0,0|2,0,1]=4 2123 B12R1.270 N#Cc1ccc(c(c1)NCF)O 7a_100000766272_100015361967 [0,1,0,0,0,0|2,0,1]=4 2124 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 34a_100009877741_100015361967 [0,1,0,0,0,0|2,0,1]=4 2125 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 7a_100009877741_100015361967 [0,1,0,0,0,0|2,0,1]=4 2126 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 34a_100012186312_100015361967 [0,1,0,0,0,0|2,0,1]=4 2127 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 7a_100012186312_100015361967 [0,1,0,0,0,0|2,0,1]=4 2128 B12R1.270 N#Cc1ccc(c(c1)OCF)F 34a_100000069402_100015361967 [0,1,0,0,0,0|2,0,1]=4 2129 B12R1.270 N#Cc1ccc(c(c1)OCF)F 7a_100000069402_100015361967 [0,1,0,0,0,0|2,0,1]=4 2130 B12R1.270 N#Cc1ccc(c(c1)OCF)I 34a_100000724445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2131 B12R1.270 N#Cc1ccc(c(c1)OCF)I 7a_100000724445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2132 B12R1.270 N#Cc1ccc(c(c1)OCF)N 34a_100011997735_100015361967 [0,1,0,0,0,0|2,0,1]=4 2133 B12R1.270 N#Cc1ccc(c(c1)OCF)N 7a_100011997735_100015361967 [0,1,0,0,0,0|2,0,1]=4 2134 B12R1.270 N#Cc1ccc(c(c1)SCF)O 62a_100015361967_100000725478 [0,1,0,0,0,0|1,1,1]=4 2135 B12R1.270 NCc1ccc(c(c1)OCF)Cl 34a_100020636435_100015361967 [0,1,0,0,0,0|2,0,0]=3 2136 B12R1.270 NCc1ccc(c(c1)OCF)F 34a_100160469508_100015361967 [0,1,0,0,0,0|2,0,0]=3 2137 B12R1.270 NCc1ccc(c(c1)SCF)F 62a_100015193890_100015361967 [0,1,0,0,0,0|2,1,0]=4 2138 B12R1.270 NCc1ccc(c(c1)SCF)F 62a_100015361967_100015193890 [0,1,0,0,0,0|2,1,0]=4 2139 B12R1.270 Nc1ncc(cc1SCF)CO 62a_100012343677_100015361967 [0,1,0,0,0,0|2,1,0]=4 2140 B12R1.270 Nc1ncc(cc1SCF)CO 62a_100015361967_100012343677 [0,1,0,0,0,0|2,1,0]=4 2141 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [0,1,0,0,0,0|0,1,2]=4 2142 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [0,1,0,0,0,0|0,1,2]=4 2143 B12R1.270 OCc1ccc(c(c1)NCF)Br 34a_100012347568_100015361967 [0,1,0,0,0,0|2,0,0]=3 2144 B12R1.270 OCc1ccc(c(c1)NCF)Cl 34a_106256033963_100015361967 [0,1,0,0,0,0|2,0,0]=3 2145 B12R1.270 OCc1ccc(c(c1)NCF)F 34a_102125399562_100015361967 [0,1,0,0,0,0|2,0,0]=3 2146 B12R1.270 OCc1ccc(c(c1)NCF)O 34a_100000123545_100015361967 [0,1,0,0,0,0|1,0,0]=2 2147 B12R1.270 OCc1ccc(c(c1)OCF)Br 34a_100010191536_100015361967 [0,1,0,0,0,0|1,0,0]=2 2148 B12R1.270 OCc1ccc(c(c1)OCF)Br 7a_100010191536_100015361967 [0,1,0,0,0,0|1,0,0]=2 2149 B12R1.270 OCc1ccc(c(c1)OCF)Cl 34a_100009876509_100015361967 [0,1,0,0,0,0|1,0,0]=2 2150 B12R1.270 OCc1ccc(c(c1)OCF)Cl 7a_100009876509_100015361967 [0,1,0,0,0,0|1,0,0]=2 2151 B12R1.270 OCc1ccc(c(c1)OCF)F 34a_100009842347_100015361967 [0,1,0,0,0,0|1,0,0]=2 2152 B12R1.270 OCc1ccc(c(c1)OCF)F 7a_100009842347_100015361967 [0,1,0,0,0,0|1,0,0]=2 2153 B12R1.270 OCc1ccc(c(c1)OCF)I 34a_100000049605_100015361967 [0,1,0,0,0,0|1,0,0]=2 2154 B12R1.270 OCc1ccc(c(c1)OCF)I 7a_100000049605_100015361967 [0,1,0,0,0,0|1,0,0]=2 2155 B12R1.270 OCc1ccc(c(c1)SCF)F 62a_100000246287_100015361967 [0,1,0,0,0,0|1,1,0]=3 2156 B12R1.270 OCc1ccc(c(c1)SCF)F 62a_100015361967_100000246287 [0,1,0,0,0,0|1,1,0]=3 2157 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100011191544_100015361967 [0,1,0,0,0,0|0,1,0]=2 2158 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100015361967_100011191544 [0,1,0,0,0,0|0,1,0]=2 2159 B12R1.270 OCc1ccc(c(n1)SCF)O 62a_100015361967_200000118097 [0,1,0,0,0,0|1,1,0]=3 2160 B12R1.270 OCc1ccc(c(n1)SCF)O 62a_200009817064_100015361967 [0,1,0,0,0,0|1,1,0]=3 2161 B12R1.270 OCc1cnc(c(c1)SCF)Cl 62a_100015361967_200015217190 [0,1,0,0,0,0|2,1,0]=4 2162 B12R1.270 OCc1cnc(c(c1)SCF)Cl 62a_200015217190_100015361967 [0,1,0,0,0,0|2,1,0]=4 2163 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 34a_100010246249_200025704644 [0,1,0,0,0,0|2,0,1]=4 2164 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 7a_100010246249_200025704644 [0,1,0,0,0,0|2,0,1]=4 2165 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 34a_100000757149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2166 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 7a_100000757149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2167 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,1,0,0,0,0|2,0,1]=4 2168 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,1,0,0,0,0|2,0,1]=4 2169 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,1,0,0,0,0|2,0,1]=4 2170 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,1,0,0,0,0|2,0,1]=4 2171 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,1,0,0,0,0|2,0,1]=4 2172 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,1,0,0,0,0|2,0,1]=4 2173 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,1,0,0,0,0|1,0,1]=3 2174 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [0,1,0,0,0,0|2,0,1]=4 2175 B12R1.286 C=Cc1cc(ccc1C)COC 271570a_100011290941_200015395492 [0,1,0,0,0,0|2,0,1]=4 2176 B12R1.286 C=Cc1cc(ccc1F)COC 271570a_100011290941_200011493689 [0,1,0,0,0,0|2,0,1]=4 2177 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,1,0,0,0,0|2,0,1]=4 2178 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,1,0,0,0,0|2,0,1]=4 2179 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,1,0,0,0,0|2,0,1]=4 2180 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,1,0,0,0,0|2,0,1]=4 2181 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,1,0,0,0,0|2,0,1]=4 2182 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,1,0,0,0,0|2,0,1]=4 2183 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,1,0,0,0,0|1,0,1]=3 2184 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,1,0,0,0,0|2,0,1]=4 2185 B12R1.286 CCNc1ccc(c(c1)C#N)O 34a_100011249283_100000210202 [0,1,0,0,0,0|3,0,0]=4 2186 B12R1.286 CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210202 [0,1,0,0,0,0|3,0,0]=4 2187 B12R1.286 CCNc1ccc(c(c1)CC)Br 34a_100010109747_100000210202 [0,1,0,0,0,0|3,0,0]=4 2188 B12R1.286 CCNc1ccc(c(c1)CC)Br 7a_100010109747_100000210202 [0,1,0,0,0,0|3,0,0]=4 2189 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [0,1,0,0,0,0|2,0,0]=3 2190 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [0,1,0,0,0,0|2,0,0]=3 2191 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [0,1,0,0,0,0|2,0,0]=3 2192 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [0,1,0,0,0,0|2,0,0]=3 2193 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [0,1,0,0,0,0|2,0,0]=3 2194 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [0,1,0,0,0,0|2,0,0]=3 2195 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [0,1,0,0,0,0|2,0,0]=3 2196 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [0,1,0,0,0,0|2,0,0]=3 2197 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [0,1,0,0,0,0|2,0,0]=3 2198 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,1,0,0,0,0|1,0,0]=2 2199 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [0,1,0,0,0,0|3,0,0]=4 2200 B12R1.286 CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000210202 [0,1,0,0,0,0|3,0,0]=4 2201 B12R1.286 CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000210202 [0,1,0,0,0,0|3,0,0]=4 2202 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [0,1,0,0,0,0|2,0,0]=3 2203 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [0,1,0,0,0,0|2,0,0]=3 2204 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [0,1,0,0,0,0|2,0,0]=3 2205 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [0,1,0,0,0,0|2,0,0]=3 2206 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [0,1,0,0,0,0|2,0,0]=3 2207 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [0,1,0,0,0,0|2,0,0]=3 2208 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [0,1,0,0,0,0|2,0,0]=3 2209 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [0,1,0,0,0,0|2,0,0]=3 2210 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [0,1,0,0,0,0|2,0,0]=3 2211 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [0,1,0,0,0,0|2,0,0]=3 2212 B12R1.286 CCOc1ccc(c(c1)SC)C 62a_200000210301_100011099959 [0,1,0,0,0,0|2,1,0]=4 2213 B12R1.286 CCOc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011099959 [0,1,0,0,0,0|2,1,0]=4 2214 B12R1.286 CCSc1c[nH]c(=O)c(c1)OC 62a_100000210202_100010125397 [0,1,0,0,0,0|2,0,1]=4 2215 B12R1.286 CCSc1cc(c(cn1)C)OC 62a_100000210202_100010067687 [0,1,0,0,0,0|3,0,0]=4 2216 B12R1.286 CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210202 [0,1,0,0,0,0|3,0,0]=4 2217 B12R1.286 CCSc1cc(c(cn1)F)OC 62a_100000210202_200010136270 [0,1,0,0,0,0|3,0,0]=4 2218 B12R1.286 CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210202 [0,1,0,0,0,0|3,0,0]=4 2219 B12R1.286 CCSc1cc(c(cn1)N)OC 62a_100000210202_100009887741 [0,1,0,0,0,0|3,0,0]=4 2220 B12R1.286 CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210202 [0,1,0,0,0,0|3,0,0]=4 2221 B12R1.286 CCSc1ccc(c(c1)C#N)O 62a_100000210202_100000687585 [0,1,0,0,0,0|3,0,0]=4 2222 B12R1.286 CCSc1ccc(c(c1)C=O)O 62a_100000210202_100000186750 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.286 CCSc1ccc(c(c1)CC)Br 62a_100000210202_100010244631 [0,1,0,0,0,0|3,0,0]=4 2224 B12R1.286 CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210202 [0,1,0,0,0,0|3,0,0]=4 2225 B12R1.286 CCSc1ccc(c(c1)CC)F 62a_100000210202_100010244625 [0,1,0,0,0,0|3,0,0]=4 2226 B12R1.286 CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210202 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.286 CCSc1ccc(c(c1)CC)N 62a_100000210202_100000686106 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.286 CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [0,1,0,0,0,0|2,0,0]=3 2230 B12R1.286 CCSc1ccc(c(c1)CN)O 62a_100000210202_100000730032 [0,1,0,0,0,0|3,0,0]=4 2231 B12R1.286 CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210202 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.286 CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210202 [0,1,0,0,0,0|3,0,0]=4 2233 B12R1.286 CCSc1ccc(c(c1)CO)O 62a_100000210202_100000184703 [0,1,0,0,0,0|3,0,0]=4 2234 B12R1.286 CCSc1ccc(c(c1)NC)C 62a_100000210202_100020629602 [0,1,0,0,0,0|3,0,0]=4 2235 B12R1.286 CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210202 [0,1,0,0,0,0|3,0,0]=4 2236 B12R1.286 CCSc1ccc(c(c1)NC)F 62a_100000210202_100011314990 [0,1,0,0,0,0|3,0,0]=4 2237 B12R1.286 CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210202 [0,1,0,0,0,0|3,0,0]=4 2238 B12R1.286 CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210202 [0,1,0,0,0,0|3,0,0]=4 2239 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [0,1,0,0,0,0|2,0,0]=3 2240 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [0,1,0,0,0,0|2,0,0]=3 2241 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [0,1,0,0,0,0|2,0,0]=3 2242 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [0,1,0,0,0,0|2,0,0]=3 2243 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [0,1,0,0,0,0|2,0,0]=3 2244 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [0,1,0,0,0,0|2,0,0]=3 2245 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [0,1,0,0,0,0|2,0,0]=3 2246 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [0,1,0,0,0,0|2,0,0]=3 2247 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [0,1,0,0,0,0|2,0,0]=3 2248 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [0,1,0,0,0,0|2,0,0]=3 2249 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,1,0,0,0,0|1,0,0]=2 2250 B12R1.286 CCSc1ccc(c(c1)SC)F 62a_100000210202_100010341305 [0,1,0,0,0,0|2,1,0]=4 2251 B12R1.286 CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210202 [0,1,0,0,0,0|2,1,0]=4 2252 B12R1.286 CCSc1ccc(c(n1)OC)N 62a_100000210202_100000687816 [0,1,0,0,0,0|3,0,0]=4 2253 B12R1.286 CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210202 [0,1,0,0,0,0|3,0,0]=4 2254 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [0,1,0,0,0,0|2,0,0]=3 2255 B12R1.286 CCSc1cnc(c(c1)OC)C 62a_100000210202_100010254219 [0,1,0,0,0,0|3,0,0]=4 2256 B12R1.286 CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210202 [0,1,0,0,0,0|3,0,0]=4 2257 B12R1.286 CCSc1cnc(c(c1)OC)F 62a_100000210202_100010214931 [0,1,0,0,0,0|3,0,0]=4 2258 B12R1.286 CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210202 [0,1,0,0,0,0|3,0,0]=4 2259 B12R1.286 CCSc1cnc(c(c1)OC)N 62a_100000210202_106354213024 [0,1,0,0,0,0|3,0,0]=4 2260 B12R1.286 CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210202 [0,1,0,0,0,0|3,0,0]=4 2261 B12R1.286 CCSc1cnc(c(n1)OC)O 62a_100000210202_200010365344 [0,1,0,0,0,0|3,0,0]=4 2262 B12R1.286 CCSc1cnc(c(n1)OC)O 62a_200010365344_100000210202 [0,1,0,0,0,0|3,0,0]=4 2263 B12R1.286 CCc1cc(ccc1Br)NCF 34a_100010109747_100015361967 [0,1,0,0,0,0|3,0,0]=4 2264 B12R1.286 CCc1cc(ccc1Br)NCF 7a_100010109747_100015361967 [0,1,0,0,0,0|3,0,0]=4 2265 B12R1.286 CCc1cc(ccc1Br)SCF 62a_100010244631_100015361967 [0,1,0,0,0,0|3,0,0]=4 2266 B12R1.286 CCc1cc(ccc1Br)SCF 62a_100015361967_100010244631 [0,1,0,0,0,0|3,0,0]=4 2267 B12R1.286 CCc1cc(ccc1Cl)CNC 26a_100102657272_100000212063 [0,1,0,0,0,0|3,0,0]=4 2268 B12R1.286 CCc1cc(ccc1Cl)OCF 34a_100000212063_100015361967 [0,1,0,0,0,0|3,0,0]=4 2269 B12R1.286 CCc1cc(ccc1Cl)OCF 7a_100000212063_100015361967 [0,1,0,0,0,0|3,0,0]=4 2270 B12R1.286 CCc1cc(ccc1F)CNC 207a_100102657272_100009840867 [0,1,0,0,0,0|3,0,0]=4 2271 B12R1.286 CCc1cc(ccc1F)CNC 2230a_114873767189_200000210301 [0,1,0,0,0,0|3,0,0]=4 2272 B12R1.286 CCc1cc(ccc1F)CNC 269862a_106832991636_100009840867 [0,1,0,0,0,0|3,0,0]=4 2273 B12R1.286 CCc1cc(ccc1F)CNC 270004a_106832991635_100009840867 [0,1,0,0,0,0|3,0,0]=4 2274 B12R1.286 CCc1cc(ccc1F)CNC 34a_114873767189_200000210301 [0,1,0,0,0,0|3,0,0]=4 2275 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 2230a_114873767189_200025704644 [0,1,0,0,0,0|3,0,0]=4 2276 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 34a_114873767189_200025704644 [0,1,0,0,0,0|3,0,0]=4 2277 B12R1.286 CCc1cc(ccc1F)SCF 62a_100010244625_100015361967 [0,1,0,0,0,0|3,0,0]=4 2278 B12R1.286 CCc1cc(ccc1F)SCF 62a_100015361967_100010244625 [0,1,0,0,0,0|3,0,0]=4 2279 B12R1.286 CCc1cc(ccc1N)SCF 62a_100000686106_100015361967 [0,1,0,0,0,0|3,0,0]=4 2280 B12R1.286 CCc1cc(ccc1N)SCF 62a_100015361967_100000686106 [0,1,0,0,0,0|3,0,0]=4 2281 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [0,1,0,0,0,0|2,0,0]=3 2282 B12R1.286 CNCc1ccc(c(c1)C=O)O 7a_106832991635_100000008128 [0,1,0,0,0,0|3,0,0]=4 2283 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,1,0,0,0,0|2,0,0]=3 2284 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,1,0,0,0,0|2,0,0]=3 2285 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,1,0,0,0,0|2,0,0]=3 2286 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,1,0,0,0,0|2,0,0]=3 2287 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,1,0,0,0,0|2,0,0]=3 2288 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,1,0,0,0,0|2,0,0]=3 2289 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,1,0,0,0,0|2,0,0]=3 2290 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,1,0,0,0,0|2,0,0]=3 2291 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,1,0,0,0,0|2,0,0]=3 2292 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,1,0,0,0,0|2,0,0]=3 2293 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,1,0,0,0,0|2,0,0]=3 2294 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,1,0,0,0,0|2,0,0]=3 2295 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,1,0,0,0,0|2,0,0]=3 2296 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,1,0,0,0,0|2,0,0]=3 2297 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,1,0,0,0,0|2,0,0]=3 2298 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,1,0,0,0,0|2,0,0]=3 2299 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,1,0,0,0,0|2,0,0]=3 2300 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,1,0,0,0,0|2,0,0]=3 2301 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,1,0,0,0,0|2,0,0]=3 2302 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,1,0,0,0,0|2,0,0]=3 2303 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,1,0,0,0,0|2,0,0]=3 2304 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,1,0,0,0,0|2,0,0]=3 2305 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,1,0,0,0,0|2,0,0]=3 2306 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,1,0,0,0,0|1,0,0]=2 2307 B12R1.286 CNCc1ccc(c(n1)OC)Br 2230a_106832991635_200010066506 [0,1,0,0,0,0|3,0,0]=4 2308 B12R1.286 CNCc1ccc(c(n1)OC)Br 34a_100102657272_200010066506 [0,1,0,0,0,0|3,0,0]=4 2309 B12R1.286 CNCc1ccc(c(n1)OC)Br 7a_106832991635_200010066506 [0,1,0,0,0,0|3,0,0]=4 2310 B12R1.286 CNc1cc(ccc1Br)COC 34a_200013033220_200000210301 [0,1,0,0,0,0|2,0,0]=3 2311 B12R1.286 CNc1cc(ccc1C)SCF 62a_100015361967_100020629602 [0,1,0,0,0,0|3,0,0]=4 2312 B12R1.286 CNc1cc(ccc1C)SCF 62a_100020629602_100015361967 [0,1,0,0,0,0|3,0,0]=4 2313 B12R1.286 CNc1cc(ccc1F)SCF 62a_100011314990_100015361967 [0,1,0,0,0,0|3,0,0]=4 2314 B12R1.286 CNc1cc(ccc1F)SCF 62a_100015361967_100011314990 [0,1,0,0,0,0|3,0,0]=4 2315 B12R1.286 CNc1cc(ccc1N)SCF 62a_100000694363_100015361967 [0,1,0,0,0,0|3,0,0]=4 2316 B12R1.286 COCc1cc(c(cn1)Br)OC 34a_100010999569_200000210301 [0,1,0,0,0,0|2,0,0]=3 2317 B12R1.286 COCc1ccc(c(c1)C#N)Br 34a_100010145894_200000210301 [0,1,0,0,0,0|3,0,0]=4 2318 B12R1.286 COCc1ccc(c(c1)C#N)Br 7a_100010145894_200000210301 [0,1,0,0,0,0|3,0,0]=4 2319 B12R1.286 COCc1ccc(c(c1)C#N)F 34a_100011220027_200000210301 [0,1,0,0,0,0|3,0,0]=4 2320 B12R1.286 COCc1ccc(c(c1)C#N)F 7a_100011220027_200000210301 [0,1,0,0,0,0|3,0,0]=4 2321 B12R1.286 COCc1ccc(c(c1)N[13CH3])Br 34a_200013033220_200025704644 [0,1,0,0,0,0|2,0,0]=3 2322 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,1,0,0,0,0|1,0,0]=2 2323 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,1,0,0,0,0|1,0,0]=2 2324 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,1,0,0,0,0|1,0,0]=2 2325 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,1,0,0,0,0|1,0,0]=2 2326 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,1,0,0,0,0|1,0,0]=2 2327 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,1,0,0,0,0|1,0,0]=2 2328 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,1,0,0,0,0|1,0,0]=2 2329 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,1,0,0,0,0|1,0,0]=2 2330 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,1,0,0,0,0|1,0,0]=2 2331 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,1,0,0,0,0|1,0,0]=2 2332 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,1,0,0,0,0|1,0,0]=2 2333 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [0,1,0,0,0,0|1,1,0]=3 2334 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [0,1,0,0,0,0|1,1,0]=3 2335 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200000210301_200011493689 [0,1,0,0,0,0|1,1,0]=3 2336 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200011493689_200000210301 [0,1,0,0,0,0|1,1,0]=3 2337 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [0,1,0,0,0,0|1,1,0]=3 2338 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [0,1,0,0,0,0|1,1,0]=3 2339 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200011493689_200025704644 [0,1,0,0,0,0|1,1,0]=3 2340 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200011493689 [0,1,0,0,0,0|1,1,0]=3 2341 B12R1.286 COCc1ccc(c(n1)OC)Br 34a_100138415774_200010066506 [0,1,0,0,0,0|2,0,0]=3 2342 B12R1.286 COc1cc(c[nH]c1=O)SCF 62a_100015361967_100010125397 [0,1,0,0,0,0|2,0,1]=4 2343 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,1,0,0,0,0|1,0,0]=2 2344 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,1,0,0,0,0|1,0,0]=2 2345 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,1,0,0,0,0|1,1,0]=3 2346 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,1,0,0,0,0|1,1,0]=3 2347 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,1,0,0,0,0|1,1,0]=3 2348 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,1,0,0,0,0|1,1,0]=3 2349 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [0,1,0,0,0,0|2,0,0]=3 2350 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [0,1,0,0,0,0|2,0,0]=3 2351 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [0,1,0,0,0,0|2,0,0]=3 2352 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [0,1,0,0,0,0|2,0,0]=3 2353 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [0,1,0,0,0,0|2,0,0]=3 2354 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,1,0,0,0,0|1,0,0]=2 2355 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,1,0,0,0,0|1,0,0]=2 2356 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [0,1,0,0,0,0|2,0,0]=3 2357 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [0,1,0,0,0,0|2,0,0]=3 2358 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [0,1,0,0,0,0|2,0,0]=3 2359 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [0,1,0,0,0,0|2,0,0]=3 2360 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [0,1,0,0,0,0|2,0,0]=3 2361 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,1,0,0,0,0|2,0,0]=3 2362 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,1,0,0,0,0|2,0,0]=3 2363 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,1,0,0,0,0|1,0,0]=2 2364 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,1,0,0,0,0|1,1,0]=3 2365 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,1,0,0,0,0|1,1,0]=3 2366 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,1,0,0,0,0|1,1,0]=3 2367 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,1,0,0,0,0|1,1,0]=3 2368 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [0,1,0,0,0,0|2,0,0]=3 2369 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [0,1,0,0,0,0|2,0,0]=3 2370 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [0,1,0,0,0,0|2,0,0]=3 2371 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [0,1,0,0,0,0|2,0,0]=3 2372 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [0,1,0,0,0,0|2,0,0]=3 2373 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,1,0,0,0,0|2,0,0]=3 2374 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,1,0,0,0,0|2,0,0]=3 2375 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,1,0,0,0,0|1,0,0]=2 2376 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,1,0,0,0,0|1,0,0]=2 2377 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,1,0,0,0,0|1,1,0]=3 2378 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,1,0,0,0,0|1,1,0]=3 2379 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,1,0,0,0,0|1,1,0]=3 2380 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,1,0,0,0,0|1,1,0]=3 2381 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [0,1,0,0,0,0|2,0,0]=3 2382 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [0,1,0,0,0,0|2,0,0]=3 2383 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [0,1,0,0,0,0|2,0,0]=3 2384 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [0,1,0,0,0,0|2,0,0]=3 2385 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [0,1,0,0,0,0|2,0,0]=3 2386 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [0,1,0,0,0,0|2,0,0]=3 2387 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,1,0,0,0,0|1,0,0]=2 2388 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [0,1,0,0,0,0|2,0,0]=3 2389 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [0,1,0,0,0,0|2,0,0]=3 2390 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [0,1,0,0,0,0|2,0,0]=3 2391 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [0,1,0,0,0,0|2,0,0]=3 2392 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,1,0,0,0,0|1,0,0]=2 2393 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,1,0,0,0,0|1,0,0]=2 2394 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,1,0,0,0,0|1,0,0]=2 2395 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,1,0,0,0,0|1,0,0]=2 2396 B12R1.286 COc1cc(cnc1C)SCF 62a_100010254219_100015361967 [0,1,0,0,0,0|3,0,0]=4 2397 B12R1.286 COc1cc(cnc1C)SCF 62a_100015361967_100010254219 [0,1,0,0,0,0|3,0,0]=4 2398 B12R1.286 COc1cc(cnc1F)SCF 62a_100010214931_100015361967 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.286 COc1cc(cnc1F)SCF 62a_100015361967_100010214931 [0,1,0,0,0,0|3,0,0]=4 2400 B12R1.286 COc1cc(cnc1N)SCF 62a_100015361967_106354213024 [0,1,0,0,0,0|3,0,0]=4 2401 B12R1.286 COc1cc(cnc1N)SCF 62a_106354213024_100015361967 [0,1,0,0,0,0|3,0,0]=4 2402 B12R1.286 COc1cc(ncc1Br)CO[13CH3] 34a_100010999569_200025704644 [0,1,0,0,0,0|2,0,0]=3 2403 B12R1.286 COc1cc(ncc1C)SCF 62a_100010067687_100015361967 [0,1,0,0,0,0|3,0,0]=4 2404 B12R1.286 COc1cc(ncc1C)SCF 62a_100015361967_100010067687 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.286 COc1cc(ncc1F)SCF 62a_100015361967_200010136270 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.286 COc1cc(ncc1F)SCF 62a_200010136270_100015361967 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.286 COc1cc(ncc1N)SCF 62a_100009887741_100015361967 [0,1,0,0,0,0|3,0,0]=4 2408 B12R1.286 COc1cc(ncc1N)SCF 62a_100015361967_100009887741 [0,1,0,0,0,0|3,0,0]=4 2409 B12R1.286 COc1nc(ccc1Br)CSC 62a_200000210301_200010066506 [0,1,0,0,0,0|2,1,0]=4 2410 B12R1.286 COc1nc(ccc1Br)CSC 62a_200010066506_200000210301 [0,1,0,0,0,0|2,1,0]=4 2411 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200010066506_200025704644 [0,1,0,0,0,0|2,1,0]=4 2412 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200025704644_200010066506 [0,1,0,0,0,0|2,1,0]=4 2413 B12R1.286 COc1nc(ccc1N)SCF 62a_100000687816_100015361967 [0,1,0,0,0,0|3,0,0]=4 2414 B12R1.286 COc1nc(ccc1N)SCF 62a_100015361967_100000687816 [0,1,0,0,0,0|3,0,0]=4 2415 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [0,1,0,0,0,0|2,0,0]=3 2416 B12R1.286 COc1nc(cnc1O)SCF 62a_100015361967_200010365344 [0,1,0,0,0,0|3,0,0]=4 2417 B12R1.286 COc1nc(cnc1O)SCF 62a_200010365344_100015361967 [0,1,0,0,0,0|3,0,0]=4 2418 B12R1.286 CSCc1ccc(c(c1)C=O)O 62a_200000210301_100000008128 [0,1,0,0,0,0|2,1,0]=4 2419 B12R1.286 CSc1cc(ccc1F)CC#N 62a_100000742998_200000210301 [0,1,0,0,0,0|2,1,0]=4 2420 B12R1.286 CSc1cc(ccc1F)CC#N 62a_200000210301_100000742998 [0,1,0,0,0,0|2,1,0]=4 2421 B12R1.286 CSc1cc(ccc1F)SCF 62a_100010341305_100015361967 [0,1,0,0,0,0|2,1,0]=4 2422 B12R1.286 CSc1cc(ccc1F)SCF 62a_100015361967_100010341305 [0,1,0,0,0,0|2,1,0]=4 2423 B12R1.286 CSc1cc(ccc1N)CC#N 62a_100010188563_200000210301 [0,1,0,0,0,0|2,1,0]=4 2424 B12R1.286 CSc1cc(ccc1N)CC#N 62a_200000210301_100010188563 [0,1,0,0,0,0|2,1,0]=4 2425 B12R1.286 N#Cc1cc(ccc1O)NCF 34a_100011249283_100015361967 [0,1,0,0,0,0|3,0,0]=4 2426 B12R1.286 N#Cc1cc(ccc1O)SCF 62a_100015361967_100000687585 [0,1,0,0,0,0|3,0,0]=4 2427 B12R1.286 NCc1cc(ccc1O)SCF 62a_100000730032_100015361967 [0,1,0,0,0,0|3,0,0]=4 2428 B12R1.286 NCc1cc(ccc1O)SCF 62a_100015361967_100000730032 [0,1,0,0,0,0|3,0,0]=4 2429 B12R1.286 O=Cc1cc(ccc1O)SCF 62a_100015361967_100000186750 [0,1,0,0,0,0|3,0,0]=4 2430 B12R1.286 OCc1cc(ccc1O)SCF 62a_100000184703_100015361967 [0,1,0,0,0,0|3,0,0]=4 2431 B12R1.286 OCc1cc(ccc1O)SCF 62a_100015361967_100000184703 [0,1,0,0,0,0|3,0,0]=4 2432 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)Br 34a_100010145894_200025704644 [0,1,0,0,0,0|3,0,0]=4 2433 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)Br 7a_100010145894_200025704644 [0,1,0,0,0,0|3,0,0]=4 2434 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)F 34a_100011220027_200025704644 [0,1,0,0,0,0|3,0,0]=4 2435 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)F 7a_100011220027_200025704644 [0,1,0,0,0,0|3,0,0]=4 2436 B12R1.286 [13CH3]SCc1ccc(c(c1)C=O)O 62a_200025704644_100000008128 [0,1,0,0,0,0|2,1,0]=4 2437 B12R1.286 [13CH3]Sc1cc(ccc1F)CC#N 62a_100000742998_200025704644 [0,1,0,0,0,0|2,1,0]=4 2438 B12R1.286 [13CH3]Sc1cc(ccc1F)CC#N 62a_200025704644_100000742998 [0,1,0,0,0,0|2,1,0]=4 2439 B12R1.286 [13CH3]Sc1cc(ccc1N)CC#N 62a_100010188563_200025704644 [0,1,0,0,0,0|2,1,0]=4 2440 B12R1.286 [13CH3]Sc1cc(ccc1N)CC#N 62a_200025704644_100010188563 [0,1,0,0,0,0|2,1,0]=4 2441 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [0,1,0,0,0,0|2,0,1]=4 2442 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [0,1,0,0,0,0|2,0,1]=4 2443 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [0,1,0,0,0,0|2,0,1]=4 2444 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [0,1,0,0,0,0|2,0,1]=4 2445 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [0,1,0,0,0,0|2,0,1]=4 2446 B12R1.300 C=Cc1cc(cc(c1F)F)CO 271570a_100011290941_100015464361 [0,1,0,0,0,0|2,0,1]=4 2447 B12R1.300 CCc1cc(cc(c1O)C)SC 62a_200000210301_100010659108 [0,1,0,0,0,0|3,0,0]=4 2448 B12R1.300 CCc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100010659108 [0,1,0,0,0,0|3,0,0]=4 2449 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_200000210301 [0,1,0,0,0,0|3,0,0]=4 2450 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_200000210301 [0,1,0,0,0,0|3,0,0]=4 2451 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_200000210301 [0,1,0,0,0,0|3,0,0]=4 2452 B12R1.300 CNc1cc(cc(c1O)Br)OC 34a_200010008348_200000210301 [0,1,0,0,0,0|3,0,0]=4 2453 B12R1.300 COc1cc(c(c(c1)N[13CH3])O)Br 34a_200010008348_200025704644 [0,1,0,0,0,0|3,0,0]=4 2454 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [0,1,0,0,0,0|2,0,0]=3 2455 B12R1.300 COc1cc(c(c(c1)SC)O)N 62a_200000210301_200010008348 [0,1,0,0,0,0|2,1,0]=4 2456 B12R1.300 COc1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_200010008348 [0,1,0,0,0,0|2,1,0]=4 2457 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 2230a_100010131419_200025704644 [0,1,0,0,0,0|3,0,0]=4 2458 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 34a_100010131419_200025704644 [0,1,0,0,0,0|3,0,0]=4 2459 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 7a_100010131419_200025704644 [0,1,0,0,0,0|3,0,0]=4 2460 B12R1.300 COc1cc(cc(c1F)C)SC 62a_100010271686_200000210301 [0,1,0,0,0,0|3,0,0]=4 2461 B12R1.300 COc1cc(cc(c1F)C)SC 62a_200000210301_100010271686 [0,1,0,0,0,0|3,0,0]=4 2462 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_100010271686_200025704644 [0,1,0,0,0,0|3,0,0]=4 2463 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_200025704644_100010271686 [0,1,0,0,0,0|3,0,0]=4 2464 B12R1.300 COc1cc(cc(c1F)F)SC 62a_100011218012_200000210301 [0,1,0,0,0,0|3,0,0]=4 2465 B12R1.300 COc1cc(cc(c1F)F)SC 62a_200000210301_100011218012 [0,1,0,0,0,0|3,0,0]=4 2466 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_100011218012_200025704644 [0,1,0,0,0,0|3,0,0]=4 2467 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_100011218012 [0,1,0,0,0,0|3,0,0]=4 2468 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200000210301_200015524394 [0,1,0,0,0,0|3,0,0]=4 2469 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200015524394_200000210301 [0,1,0,0,0,0|3,0,0]=4 2470 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200015524394_200025704644 [0,1,0,0,0,0|3,0,0]=4 2471 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200025704644_200015524394 [0,1,0,0,0,0|3,0,0]=4 2472 B12R1.300 COc1cc(cc(c1N)C)SC 62a_100000741850_200000210301 [0,1,0,0,0,0|3,0,0]=4 2473 B12R1.300 COc1cc(cc(c1N)C)SC 62a_200000210301_100000741850 [0,1,0,0,0,0|3,0,0]=4 2474 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_100000741850_200025704644 [0,1,0,0,0,0|3,0,0]=4 2475 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_100000741850 [0,1,0,0,0,0|3,0,0]=4 2476 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [0,1,0,0,0,0|1,0,1]=3 2477 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [0,1,0,0,0,0|0,0,2]=3 2478 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [0,1,0,0,0,0|0,0,0]=1 2479 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [0,1,0,0,0,0|2,0,0]=3 2480 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [0,1,0,0,0,0|2,0,0]=3 2481 B12R1.300 CSc1cc(cc(c1F)F)CO 62a_100015464361_200000210301 [0,1,0,0,0,0|1,1,0]=3 2482 B12R1.300 CSc1cc(cc(c1F)F)CO 62a_200000210301_100015464361 [0,1,0,0,0,0|1,1,0]=3 2483 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [0,1,0,0,0,0|0,1,2]=4 2484 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [0,1,0,0,0,0|0,1,2]=4 2485 B12R1.300 CSc1cc(cc(c1O)O)C#N 62a_200000210301_100010672013 [0,1,0,0,0,0|1,1,1]=4 2486 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [0,1,0,0,0,0|0,1,2]=4 2487 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)CO 62a_100015464361_200025704644 [0,1,0,0,0,0|1,1,0]=3 2488 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)CO 62a_200025704644_100015464361 [0,1,0,0,0,0|1,1,0]=3 2489 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [0,1,0,0,0,0|0,1,2]=4 2490 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [0,1,0,0,0,0|0,1,2]=4 2491 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C#N 62a_200025704644_100010672013 [0,1,0,0,0,0|1,1,1]=4 2492 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [0,1,0,0,0,0|0,1,2]=4 2493 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [0,1,0,0,0,0|2,0,1]=4 2494 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [0,1,0,0,0,0|2,0,1]=4 2495 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [0,1,0,0,0,0|2,0,1]=4 2496 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [0,1,0,0,0,0|2,0,1]=4 2497 B12R1.449 C=Cc1cc(c(cc1F)F)CO 271570a_100011290941_100016029355 [0,1,0,0,0,0|2,0,1]=4 2498 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [0,1,0,0,0,0|2,0,1]=4 2499 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [0,1,0,0,0,0|2,0,1]=4 2500 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [0,1,0,0,0,0|1,0,1]=3 2501 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [0,1,0,0,0,0|2,0,1]=4 2502 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [0,1,0,0,0,0|2,0,1]=4 2503 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [0,1,0,0,0,0|2,0,0]=3 2504 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [0,1,0,0,0,0|2,0,0]=3 2505 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [0,1,0,0,0,0|2,0,0]=3 2506 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [0,1,0,0,0,0|2,0,0]=3 2507 B12R1.449 CNc1cc(c(cc1Br)Br)OC 34a_100000718616_200000210301 [0,1,0,0,0,0|3,0,0]=4 2508 B12R1.449 CNc1cc(c(cc1Br)Br)OC 7a_100000718616_200000210301 [0,1,0,0,0,0|3,0,0]=4 2509 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [0,1,0,0,0,0|3,0,0]=4 2510 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 34a_100013022580_200000210301 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 7a_100013022580_200000210301 [0,1,0,0,0,0|3,0,0]=4 2513 B12R1.449 CNc1cc(c(cc1Br)F)OC 34a_100010208193_200000210301 [0,1,0,0,0,0|3,0,0]=4 2514 B12R1.449 CNc1cc(c(cc1Br)F)OC 7a_100010208193_200000210301 [0,1,0,0,0,0|3,0,0]=4 2515 B12R1.449 CNc1cc(c(cc1C)Br)OC 34a_100010232211_200000210301 [0,1,0,0,0,0|3,0,0]=4 2516 B12R1.449 CNc1cc(c(cc1C)Br)OC 7a_100010232211_200000210301 [0,1,0,0,0,0|3,0,0]=4 2517 B12R1.449 CNc1cc(c(cc1C)Cl)OC 2230a_100009858536_200000210301 [0,1,0,0,0,0|3,0,0]=4 2518 B12R1.449 CNc1cc(c(cc1C)Cl)OC 34a_100009858536_200000210301 [0,1,0,0,0,0|3,0,0]=4 2519 B12R1.449 CNc1cc(c(cc1C)Cl)OC 7a_100009858536_200000210301 [0,1,0,0,0,0|3,0,0]=4 2520 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 34a_100012361290_200000210301 [0,1,0,0,0,0|3,0,0]=4 2521 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 7a_100012361290_200000210301 [0,1,0,0,0,0|3,0,0]=4 2522 B12R1.449 CNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_200000210301 [0,1,0,0,0,0|3,0,0]=4 2523 B12R1.449 CNc1cc(c(cc1Cl)F)OC 34a_100009958774_200000210301 [0,1,0,0,0,0|3,0,0]=4 2524 B12R1.449 CNc1cc(c(cc1Cl)F)OC 7a_100009958774_200000210301 [0,1,0,0,0,0|3,0,0]=4 2525 B12R1.449 CNc1cc(c(cc1F)Cl)OC 34a_100009872666_200000210301 [0,1,0,0,0,0|3,0,0]=4 2526 B12R1.449 CNc1cc(c(cc1F)Cl)OC 7a_100009872666_200000210301 [0,1,0,0,0,0|3,0,0]=4 2527 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 34a_100000718616_200025704644 [0,1,0,0,0,0|3,0,0]=4 2528 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 7a_100000718616_200025704644 [0,1,0,0,0,0|3,0,0]=4 2529 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200000210301_200014006352 [0,1,0,0,0,0|3,0,0]=4 2530 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200014006352_200000210301 [0,1,0,0,0,0|3,0,0]=4 2531 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200014006352_200025704644 [0,1,0,0,0,0|3,0,0]=4 2532 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200025704644_200014006352 [0,1,0,0,0,0|3,0,0]=4 2533 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 34a_100010232211_200025704644 [0,1,0,0,0,0|3,0,0]=4 2534 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 7a_100010232211_200025704644 [0,1,0,0,0,0|3,0,0]=4 2535 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 34a_100012361290_200025704644 [0,1,0,0,0,0|3,0,0]=4 2536 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 7a_100012361290_200025704644 [0,1,0,0,0,0|3,0,0]=4 2537 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [0,1,0,0,0,0|3,0,0]=4 2538 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [0,1,0,0,0,0|3,0,0]=4 2539 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200000210301_200010584344 [0,1,0,0,0,0|3,0,0]=4 2540 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200010584344_200000210301 [0,1,0,0,0,0|3,0,0]=4 2541 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200010584344_200025704644 [0,1,0,0,0,0|3,0,0]=4 2542 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200025704644_200010584344 [0,1,0,0,0,0|3,0,0]=4 2543 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 34a_100013022580_200025704644 [0,1,0,0,0,0|3,0,0]=4 2544 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 7a_100013022580_200025704644 [0,1,0,0,0,0|3,0,0]=4 2545 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 2230a_100009858536_200025704644 [0,1,0,0,0,0|3,0,0]=4 2546 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 34a_100009858536_200025704644 [0,1,0,0,0,0|3,0,0]=4 2547 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 7a_100009858536_200025704644 [0,1,0,0,0,0|3,0,0]=4 2548 B12R1.449 COc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100011830341_200025704644 [0,1,0,0,0,0|3,0,0]=4 2549 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 34a_100009872666_200025704644 [0,1,0,0,0,0|3,0,0]=4 2550 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 7a_100009872666_200025704644 [0,1,0,0,0,0|3,0,0]=4 2551 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_100010739614_200000210301 [0,1,0,0,0,0|3,0,0]=4 2552 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_200000210301_100010739614 [0,1,0,0,0,0|3,0,0]=4 2553 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_100010739614_200025704644 [0,1,0,0,0,0|3,0,0]=4 2554 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_200025704644_100010739614 [0,1,0,0,0,0|3,0,0]=4 2555 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 34a_100010208193_200025704644 [0,1,0,0,0,0|3,0,0]=4 2556 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 7a_100010208193_200025704644 [0,1,0,0,0,0|3,0,0]=4 2557 B12R1.449 COc1cc(c(cc1F)C)SC 62a_100011009880_200000210301 [0,1,0,0,0,0|3,0,0]=4 2558 B12R1.449 COc1cc(c(cc1F)C)SC 62a_200000210301_100011009880 [0,1,0,0,0,0|3,0,0]=4 2559 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_100011009880_200025704644 [0,1,0,0,0,0|3,0,0]=4 2560 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100011009880 [0,1,0,0,0,0|3,0,0]=4 2561 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 34a_100009958774_200025704644 [0,1,0,0,0,0|3,0,0]=4 2562 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 7a_100009958774_200025704644 [0,1,0,0,0,0|3,0,0]=4 2563 B12R1.449 COc1cc(c(cc1F)F)C#N 34a_100015806265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2564 B12R1.449 COc1cc(c(cc1F)F)C#N 7a_100015806265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2565 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200000210301_200015541288 [0,1,0,0,0,0|3,0,0]=4 2566 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200015541288_200000210301 [0,1,0,0,0,0|3,0,0]=4 2567 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200015541288_200025704644 [0,1,0,0,0,0|3,0,0]=4 2568 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_200015541288 [0,1,0,0,0,0|3,0,0]=4 2569 B12R1.449 COc1cc(c(cc1F)N)SC 62a_100010365326_200000210301 [0,1,0,0,0,0|3,0,0]=4 2570 B12R1.449 COc1cc(c(cc1F)N)SC 62a_200000210301_100010365326 [0,1,0,0,0,0|3,0,0]=4 2571 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_100010365326_200025704644 [0,1,0,0,0,0|3,0,0]=4 2572 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100010365326 [0,1,0,0,0,0|3,0,0]=4 2573 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [0,1,0,0,0,0|1,0,2]=4 2574 B12R1.449 COc1cc(c(cc1N)C)SC 62a_100010141321_200000210301 [0,1,0,0,0,0|3,0,0]=4 2575 B12R1.449 COc1cc(c(cc1N)C)SC 62a_200000210301_100010141321 [0,1,0,0,0,0|3,0,0]=4 2576 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_100010141321_200025704644 [0,1,0,0,0,0|3,0,0]=4 2577 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010141321 [0,1,0,0,0,0|3,0,0]=4 2578 B12R1.449 COc1cc(c(cc1N)F)SC 62a_100012766639_200000210301 [0,1,0,0,0,0|3,0,0]=4 2579 B12R1.449 COc1cc(c(cc1N)F)SC 62a_200000210301_100012766639 [0,1,0,0,0,0|3,0,0]=4 2580 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_100012766639_200025704644 [0,1,0,0,0,0|3,0,0]=4 2581 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100012766639 [0,1,0,0,0,0|3,0,0]=4 2582 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [0,1,0,0,0,0|0,0,2]=3 2583 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [0,1,0,0,0,0|2,0,0]=3 2584 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [0,1,0,0,0,0|2,0,0]=3 2585 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [0,1,0,0,0,0|2,0,0]=3 2586 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [0,1,0,0,0,0|0,0,2]=3 2587 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [0,1,0,0,0,0|0,0,2]=3 2588 B12R1.449 COc1nc(c(cc1C)O)OC 271570a_203496583355_100021123867 [0,1,0,0,0,0|3,0,0]=4 2589 B12R1.449 COc1nc(c(cc1O)Br)OC 271570a_203496583355_100025726379 [0,1,0,0,0,0|3,0,0]=4 2590 B12R1.449 CSc1cc(c(cc1F)F)CO 62a_100016029355_200000210301 [0,1,0,0,0,0|1,1,0]=3 2591 B12R1.449 CSc1cc(c(cc1F)F)CO 62a_200000210301_100016029355 [0,1,0,0,0,0|1,1,0]=3 2592 B12R1.449 CSc1cc(c(cc1O)F)C#N 62a_200000210301_100011015635 [0,1,0,0,0,0|1,1,1]=4 2593 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [0,1,0,0,0,0|0,1,2]=4 2594 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 34a_100015806265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2595 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 7a_100015806265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2596 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)CO 62a_100016029355_200025704644 [0,1,0,0,0,0|1,1,0]=3 2597 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)CO 62a_200025704644_100016029355 [0,1,0,0,0,0|1,1,0]=3 2598 B12R1.449 [13CH3]Sc1cc(c(cc1O)F)C#N 62a_200025704644_100011015635 [0,1,0,0,0,0|1,1,1]=4 2599 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [0,1,0,0,0,0|0,1,2]=4 2600 B12R1.453 C=C(C)c1cc(ccc1C)CO 271570a_100000694244_100000050133 [0,1,0,0,0,0|2,0,0]=3 2601 B12R1.453 C=C(C)c1cc(ccc1F)CC 271570a_100000694244_200010244628 [0,1,0,0,0,0|3,0,0]=4 2602 B12R1.453 C=C(C)c1cc(ccc1F)CN 271570a_100000694244_100015193890 [0,1,0,0,0,0|3,0,0]=4 2603 B12R1.453 C=C(C)c1cc(ccc1F)CO 271570a_100000694244_100000246287 [0,1,0,0,0,0|2,0,0]=3 2604 B12R1.453 C=C(C)c1cc(ccc1N)CC 271570a_100000694244_100012339725 [0,1,0,0,0,0|3,0,0]=4 2605 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,1,0,0,0,0|2,0,1]=4 2606 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,1,0,0,0,0|1,0,2]=4 2607 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,0|2,0,0]=3 2608 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,1,0,0,0,0|1,0,0]=2 2609 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,0,0|3,0,0]=4 2610 B12R1.453 C=C(C)c1cc(cnc1Cl)CO 271570a_100000694244_200015217190 [0,1,0,0,0,0|3,0,0]=4 2611 B12R1.453 C=C(C)c1cc(cnc1N)CO 271570a_100000694244_100012343677 [0,1,0,0,0,0|3,0,0]=4 2612 B12R1.453 C=C(C)c1cc(ncc1C)CO 271570a_100000694244_100010113723 [0,1,0,0,0,0|3,0,0]=4 2613 B12R1.453 C=C(C)c1nc(ccc1O)CO 271570a_100000694244_200000118097 [0,1,0,0,0,0|2,0,0]=3 2614 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,0,0|2,0,1]=4 2615 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [0,1,0,0,0,0|2,0,1]=4 2616 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,0,0|2,0,0]=3 2617 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,0,0|2,0,1]=4 2618 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,0|1,0,0]=2 2619 B12R1.453 CC(C)c1cc(ccc1O)C#N 271570a_203496583355_100021510006 [0,1,0,0,0,0|2,0,1]=4 2620 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,1,0,0,0,0|3,0,0]=4 2621 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,1,0,0,0,0|3,0,0]=4 2622 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,0|2,0,0]=3 2623 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,0|2,0,0]=3 2624 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,0|3,0,0]=4 2625 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,0|3,0,0]=4 2626 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,0|3,0,0]=4 2627 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,1,0,0,0,0|3,0,0]=4 2628 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,1,0,0,0,0|3,0,0]=4 2629 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,1,0,0,0,0|3,0,0]=4 2630 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,0,0|2,0,0]=3 2631 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,0,0|2,0,1]=4 2632 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,0|1,0,0]=2 2633 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [0,1,0,0,0,0|2,0,1]=4 2634 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [0,1,0,0,0,0|2,0,1]=4 2635 B12R1.654 CNc1ccc(c(c1F)OC)F 34a_100137314619_200000210301 [0,1,0,0,0,0|3,0,0]=4 2636 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [0,1,0,0,0,0|1,0,1]=3 2637 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [0,1,0,0,0,0|0,0,2]=3 2638 B12R1.654 COc1c(ccc(c1F)N[13CH3])F 34a_100137314619_200025704644 [0,1,0,0,0,0|3,0,0]=4 2639 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 34a_100000062073_200025704644 [0,1,0,0,0,0|3,0,0]=4 2640 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 7a_100000062073_200025704644 [0,1,0,0,0,0|3,0,0]=4 2641 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200000210301_200135222481 [0,1,0,0,0,0|3,0,0]=4 2642 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200135222481_200000210301 [0,1,0,0,0,0|3,0,0]=4 2643 B12R1.654 COc1c(ccc(c1F)SC)N 62a_100010734149_200000210301 [0,1,0,0,0,0|3,0,0]=4 2644 B12R1.654 COc1c(ccc(c1F)SC)N 62a_200000210301_100010734149 [0,1,0,0,0,0|3,0,0]=4 2645 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200025704644_200135222481 [0,1,0,0,0,0|3,0,0]=4 2646 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200135222481_200025704644 [0,1,0,0,0,0|3,0,0]=4 2647 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_100010734149_200025704644 [0,1,0,0,0,0|3,0,0]=4 2648 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_200025704644_100010734149 [0,1,0,0,0,0|3,0,0]=4 2649 B12R1.654 COc1c(ncc(c1C)CO)C 34a_100000006305_200000210301 [0,1,0,0,0,0|2,0,0]=3 2650 B12R1.654 COc1c(ncc(c1C)CO)C 7a_100000006305_200000210301 [0,1,0,0,0,0|2,0,0]=3 2651 B12R1.654 COc1ccc(c(c1Br)OC)Cl 34a_200020794976_200000210301 [0,1,0,0,0,0|3,0,0]=4 2652 B12R1.654 COc1ccc(c(c1Br)OC)Cl 7a_200020794976_200000210301 [0,1,0,0,0,0|3,0,0]=4 2653 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 34a_200020794976_200025704644 [0,1,0,0,0,0|3,0,0]=4 2654 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 7a_200020794976_200025704644 [0,1,0,0,0,0|3,0,0]=4 2655 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [0,1,0,0,0,0|2,0,0]=3 2656 B12R1.654 COc1ccc(c(c1Cl)OC)F 34a_200000061507_200000210301 [0,1,0,0,0,0|3,0,0]=4 2657 B12R1.654 COc1ccc(c(c1Cl)OC)F 7a_200000061507_200000210301 [0,1,0,0,0,0|3,0,0]=4 2658 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 34a_200000061507_200025704644 [0,1,0,0,0,0|3,0,0]=4 2659 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 7a_200000061507_200025704644 [0,1,0,0,0,0|3,0,0]=4 2660 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062056_200000210301 [0,1,0,0,0,0|3,0,0]=4 2661 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062073_200000210301 [0,1,0,0,0,0|3,0,0]=4 2662 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062056_200000210301 [0,1,0,0,0,0|3,0,0]=4 2663 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062073_200000210301 [0,1,0,0,0,0|3,0,0]=4 2664 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [0,1,0,0,0,0|2,0,0]=3 2665 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 34a_100000062056_200025704644 [0,1,0,0,0,0|3,0,0]=4 2666 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 7a_100000062056_200025704644 [0,1,0,0,0,0|3,0,0]=4 2667 B12R1.654 COc1ccc(c(c1F)SC)O 271570a_203496583355_200011099385 [0,1,0,0,0,0|2,1,0]=4 2668 B12R1.654 CSc1c(cnc(c1C)CO)C 62a_100000094799_200000210301 [0,1,0,0,0,0|2,1,0]=4 2669 B12R1.654 CSc1c(cnc(c1C)CO)C 62a_200000210301_100000094799 [0,1,0,0,0,0|2,1,0]=4 2670 B12R1.654 Cc1cnc(c(c1S[13CH3])C)CO 62a_100000094799_200025704644 [0,1,0,0,0,0|2,1,0]=4 2671 B12R1.654 Cc1cnc(c(c1S[13CH3])C)CO 62a_200025704644_100000094799 [0,1,0,0,0,0|2,1,0]=4 2672 B12R1.654 Cc1ncc(c(c1O[13CH3])C)CO 34a_100000006305_200025704644 [0,1,0,0,0,0|2,0,0]=3 2673 B12R1.654 Cc1ncc(c(c1O[13CH3])C)CO 7a_100000006305_200025704644 [0,1,0,0,0,0|2,0,0]=3 2674 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [0,0,0,1,0,0|2,0,1]=4 2675 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,0,0,1,0,0|2,0,1]=4 2676 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [0,0,0,1,0,0|1,0,1]=3 2677 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,0,0,1,0,0|3,0,0]=4 2678 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,0,0,1,0,0|3,0,0]=4 2679 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,0,0,1,0,0|2,0,0]=3 2680 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,0,0,1,0,0|2,0,0]=3 2681 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,1,0,0|2,0,0]=3 2682 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,0,0,1,0,0|3,0,0]=4 2683 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,0,0,1,0,0|3,0,0]=4 2684 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,1,0,0|3,0,0]=4 2685 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,1,0,0|3,0,0]=4 2686 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,0,0,1,0,0|3,0,0]=4 2687 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,0,0,1,0,0|3,0,0]=4 2688 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,0,0,1,0,0|2,0,0]=3 2689 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,0,0,1,0,0|2,0,0]=3 2690 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,1,0,0|2,0,0]=3 2691 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,0,0,1,0,0|3,0,0]=4 2692 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,0,0,1,0,0|3,0,0]=4 2693 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,1,0,0|3,0,0]=4 2694 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,1,0,0|3,0,0]=4 2695 B10R1.35 CSc1cc(sc1C)CO 62a_100013897464_200000210301 [0,0,0,0,1,0|2,1,0]=4 2696 B10R1.35 CSc1cc(sc1C)CO 62a_200000210301_100013897464 [0,0,0,0,1,0|2,1,0]=4 2697 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_100013897464_200025704644 [0,0,0,0,1,0|2,1,0]=4 2698 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_200025704644_100013897464 [0,0,0,0,1,0|2,1,0]=4 2699 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|1,0,1]=4 2700 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|1,0,1]=4 2701 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [2,0,0,0,0,0|2,0,0]=4 2702 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|1,0,0]=3 2703 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [2,0,0,0,0,0|2,0,0]=4 2704 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [2,0,0,0,0,0|2,0,0]=4 2705 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [2,0,0,0,0,0|2,0,0]=4 2706 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [2,0,0,0,0,0|2,0,0]=4 2707 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [2,0,0,0,0,0|2,0,0]=4 2708 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [2,0,0,0,0,0|1,0,0]=3 2709 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,0,0,0,0,0|1,0,0]=3 2710 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [2,0,0,0,0,0|2,0,0]=4 2711 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2712 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [2,0,0,0,0,0|2,0,0]=4 2713 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|1,0,0]=3 2714 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 2715 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [2,0,0,0,0,0|2,0,0]=4 2716 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [2,0,0,0,0,0|2,0,0]=4 2717 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [2,0,0,0,0,0|2,0,0]=4 2718 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [2,0,0,0,0,0|2,0,0]=4 2719 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [2,0,0,0,0,0|1,0,0]=3 2720 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [2,0,0,0,0,0|2,0,0]=4 2721 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [2,0,0,0,0,0|2,0,0]=4 2722 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,0,0,0,0,0|1,0,1]=4 2723 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2724 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2725 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [2,0,0,0,0,0|1,0,1]=4 2726 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2727 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2728 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,0,0,0,0,0|0,0,0]=2 2729 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,0,0,0,0,0|0,0,0]=2 2730 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2731 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2732 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2733 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2734 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2735 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2736 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 2737 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|0,0,0]=2 2738 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [2,0,0,0,0,0|2,0,0]=4 2739 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [2,0,0,0,0,0|1,0,0]=3 2740 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [2,0,0,0,0,0|1,0,0]=3 2741 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2742 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [2,0,0,0,0,0|2,0,0]=4 2743 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [2,0,0,0,0,0|2,0,0]=4 2744 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [2,0,0,0,0,0|1,0,0]=3 2745 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [2,0,0,0,0,0|2,0,0]=4 2746 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2747 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2748 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [2,0,0,0,0,0|1,0,0]=3 2749 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [2,0,0,0,0,0|1,0,0]=3 2750 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [2,0,0,0,0,0|2,0,0]=4 2751 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2752 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2753 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2754 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [2,0,0,0,0,0|1,0,0]=3 2755 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [2,0,0,0,0,0|2,0,0]=4 2756 B9R1.2 COc1cnnc(c1)O 271570a_203496583355_100000087634 [2,0,0,0,0,0|2,0,0]=4 2757 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [2,0,0,0,0,0|2,0,0]=4 2758 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [2,0,0,0,0,0|1,1,0]=4 2759 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [2,0,0,0,0,0|1,1,0]=4 2760 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [2,0,0,0,0,0|1,1,0]=4 2761 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [2,0,0,0,0,0|1,1,0]=4 2762 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [2,0,0,0,0,0|1,1,0]=4 2763 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [2,0,0,0,0,0|1,1,0]=4 2764 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [2,0,0,0,0,0|1,1,0]=4 2765 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,0,0,0,0,0|0,1,0]=3 2766 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,0,0,0,0,0|0,1,0]=3 2767 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [2,0,0,0,0,0|1,1,0]=4 2768 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [2,0,0,0,0,0|1,1,0]=4 2769 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [2,0,0,0,0,0|1,1,0]=4 2770 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [2,0,0,0,0,0|1,1,0]=4 2771 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,0,0,0,0,0|1,1,0]=4 2772 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,0,0,0,0,0|1,1,0]=4 2773 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|0,1,0]=3 2774 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|0,1,0]=3 2775 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [2,0,0,0,0,0|0,2,0]=4 2776 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [2,0,0,0,0,0|0,2,0]=4 2777 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [2,0,0,0,0,0|1,1,0]=4 2778 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [2,0,0,0,0,0|1,1,0]=4 2779 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [2,0,0,0,0,0|1,1,0]=4 2780 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [2,0,0,0,0,0|1,1,0]=4 2781 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [2,0,0,0,0,0|1,1,0]=4 2782 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [2,0,0,0,0,0|1,1,0]=4 2783 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [2,0,0,0,0,0|1,1,0]=4 2784 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [2,0,0,0,0,0|1,1,0]=4 2785 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [2,0,0,0,0,0|1,1,0]=4 2786 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [2,0,0,0,0,0|1,1,0]=4 2787 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [2,0,0,0,0,0|1,1,0]=4 2788 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [2,0,0,0,0,0|1,1,0]=4 2789 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [2,0,0,0,0,0|1,1,0]=4 2790 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [2,0,0,0,0,0|1,0,0]=3 2791 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [2,0,0,0,0,0|1,1,0]=4 2792 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [2,0,0,0,0,0|1,1,0]=4 2793 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,0,0,0,0,0|1,0,0]=3 2794 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,0,0,0,0,0|1,0,0]=3 2795 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,0,0,0,0,0|0,0,0]=2 2796 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,0,0,0,0,0|0,0,0]=2 2797 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,0,0,0,0,0|0,1,0]=3 2798 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,0,0,0,0,0|0,1,0]=3 2799 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [2,0,0,0,0,0|1,1,0]=4 2800 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [2,0,0,0,0,0|1,1,0]=4 2801 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [2,0,0,0,0,0|1,1,0]=4 2802 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [2,0,0,0,0,0|1,1,0]=4 2803 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [2,0,0,0,0,0|1,0,0]=3 2804 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [2,0,0,0,0,0|1,0,0]=3 2805 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [2,0,0,0,0,0|1,1,0]=4 2806 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [2,0,0,0,0,0|1,1,0]=4 2807 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [2,0,0,0,0,0|2,0,0]=4 2808 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|1,0,1]=4 2809 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [2,0,0,0,0,0|2,0,0]=4 2810 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|1,0,0]=3 2811 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [2,0,0,0,0,0|2,0,0]=4 2812 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [2,0,0,0,0,0|2,0,0]=4 2813 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|2,0,0]=4 2814 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|0,0,2]=4 2815 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [2,0,0,0,0,0|1,0,0]=3 2816 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [2,0,0,0,0,0|2,0,0]=4 2817 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|0,0,0]=2 2818 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [2,0,0,0,0,0|1,0,0]=3 2819 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [2,0,0,0,0,0|1,0,0]=3 2820 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [2,0,0,0,0,0|1,0,0]=3 2821 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [2,0,0,0,0,0|2,0,0]=4 2822 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|1,0,0]=3 2823 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [2,0,0,0,0,0|2,0,0]=4 2824 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [2,0,0,0,0,0|2,0,0]=4 2825 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2826 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [2,0,0,0,0,0|2,0,0]=4 2827 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 2828 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,0,0,0,0,0|1,0,1]=4 2829 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2830 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2831 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [2,0,0,0,0,0|1,0,1]=4 2832 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 2833 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 2834 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 2835 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 2836 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 2837 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 2838 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 2839 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 2840 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 2841 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [2,0,0,0,0,0|2,0,0]=4 2842 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2843 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [2,0,0,0,0,0|2,0,0]=4 2844 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [2,0,0,0,0,0|2,0,0]=4 2845 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 2846 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 2847 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [2,0,0,0,0,0|2,0,0]=4 2848 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 2849 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 2850 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2851 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [2,0,0,0,0,0|1,1,0]=4 2852 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [2,0,0,0,0,0|1,1,0]=4 2853 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [2,0,0,0,0,0|1,1,0]=4 2854 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [2,0,0,0,0,0|1,1,0]=4 2855 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [2,0,0,0,0,0|1,1,0]=4 2856 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [2,0,0,0,0,0|1,1,0]=4 2857 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [2,0,0,0,0,0|1,1,0]=4 2858 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,0,0,0,0,0|1,1,0]=4 2859 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,0,0,0,0,0|1,1,0]=4 2860 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|0,1,0]=3 2861 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [2,0,0,0,0,0|0,2,0]=4 2862 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [2,0,0,0,0,0|0,2,0]=4 2863 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [2,0,0,0,0,0|1,1,0]=4 2864 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [2,0,0,0,0,0|1,1,0]=4 2865 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,1]=4 2866 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,0]=3 2867 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|2,0,0]=4 2868 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|2,0,0]=4 2869 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|2,0,0]=4 2870 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 2871 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|2,0,0]=4 2872 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|2,0,0]=4 2873 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2874 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2875 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,0]=3 2876 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2877 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 2878 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|2,0,0]=4 2879 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 2880 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [2,0,0,0,0,0|1,0,1]=4 2881 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2882 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2883 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 2884 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 2885 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2886 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2887 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 2888 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 2889 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2890 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2891 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2892 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2893 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|0,0,0]=2 2894 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 2895 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 2896 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2897 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2898 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 2899 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 2900 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2901 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2902 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2903 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2904 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 2905 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 2906 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|1,0,0]=3 2907 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [2,0,0,0,0,0|1,0,1]=4 2908 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [2,0,0,0,0,0|1,0,1]=4 2909 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [2,0,0,0,0,0|2,0,0]=4 2910 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [2,0,0,0,0,0|2,0,0]=4 2911 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [2,0,0,0,0,0|2,0,0]=4 2912 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [2,0,0,0,0,0|2,0,0]=4 2913 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [2,0,0,0,0,0|1,0,0]=3 2914 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2915 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2916 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2917 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2918 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [2,0,0,0,0,0|2,0,0]=4 2919 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [2,0,0,0,0,0|1,0,0]=3 2920 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [2,0,0,0,0,0|2,0,0]=4 2921 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [2,0,0,0,0,0|1,0,1]=4 2922 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 2923 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,0,0,0,0,0|2,0,0]=4 2924 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,0,0,0,0,0|2,0,0]=4 2925 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|1,0,0]=3 2926 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|2,0,0]=4 2927 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [2,0,0,0,0,0|2,0,0]=4 2928 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|1,1,0]=4 2929 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|1,1,0]=4 2930 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|1,1,0]=4 2931 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|1,1,0]=4 2932 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|1,1,0]=4 2933 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|1,1,0]=4 2934 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|1,1,0]=4 2935 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|1,1,0]=4 2936 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|1,1,0]=4 2937 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|1,1,0]=4 2938 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|0,1,0]=3 2939 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|0,1,0]=3 2940 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|0,1,0]=3 2941 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|1,1,0]=4 2942 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|1,1,0]=4 2943 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [2,0,0,0,0,0|1,1,0]=4 2944 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [2,0,0,0,0,0|1,1,0]=4 2945 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|1,1,0]=4 2946 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|1,1,0]=4 2947 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|1,1,0]=4 2948 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|2,0,0]=4 2949 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 2950 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 2951 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|1,1,0]=4 2952 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|1,1,0]=4 2953 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2954 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2955 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [2,0,0,0,0,0|2,0,0]=4 2956 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2957 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2958 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|2,0,0]=4 2959 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|2,0,0]=4 2960 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 2961 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|2,0,0]=4 2962 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|2,0,0]=4 2963 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 2964 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|2,0,0]=4 2965 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2966 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2967 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 2968 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [2,0,0,0,0,0|1,0,1]=4 2969 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 2970 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 2971 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 2972 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 2973 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 2974 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 2975 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 2976 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 2977 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 2978 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 2979 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 2980 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 2981 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 2982 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 2983 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2984 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2985 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 2986 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 2987 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 2988 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 2989 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [2,0,0,0,0,0|1,0,1]=4 2990 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [2,0,0,0,0,0|1,0,1]=4 2991 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [2,0,0,0,0,0|2,0,0]=4 2992 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [2,0,0,0,0,0|2,0,0]=4 2993 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [2,0,0,0,0,0|2,0,0]=4 2994 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2995 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2996 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [2,0,0,0,0,0|2,0,0]=4 2997 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [2,0,0,0,0,0|1,0,1]=4 2998 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 2999 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,0,0,0,0,0|2,0,0]=4 3000 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,0,0,0,0,0|2,0,0]=4 3001 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|1,1,0]=4 3002 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|1,1,0]=4 3003 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|1,1,0]=4 3004 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|1,1,0]=4 3005 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|1,1,0]=4 3006 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|1,1,0]=4 3007 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|1,1,0]=4 3008 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|1,1,0]=4 3009 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|0,1,0]=3 3010 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|0,1,0]=3 3011 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|1,1,0]=4 3012 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|1,1,0]=4 3013 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [2,0,0,0,0,0|1,1,0]=4 3014 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [2,0,0,0,0,0|1,1,0]=4 3015 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|1,1,0]=4 3016 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|1,1,0]=4 3017 B9R1.69 Cc1c[n+](ccc1O)[O-] 271570a_203496583355_100000074940 [2,0,0,0,0,0|1,0,1]=4 3018 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [2,0,0,0,0,0|2,0,0]=4 3019 B9R1.69 Cc1cc(c(cn1)F)O 271570a_203496583355_100009867690 [2,0,0,0,0,0|2,0,0]=4 3020 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [2,0,0,0,0,0|1,0,0]=3 3021 B9R1.69 Cc1cc(c(cn1)O)N 271570a_203496583355_100009817891 [2,0,0,0,0,0|2,0,0]=4 3022 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|1,0,0]=3 3023 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|1,0,0]=3 3024 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,0,0,0,0,0|1,0,0]=3 3025 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,0,0,0,0,0|1,0,0]=3 3026 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,0,0,0,0,0|1,0,0]=3 3027 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,0,0,0,0,0|1,0,0]=3 3028 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|1,0,0]=3 3029 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|1,0,0]=3 3030 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|1,0,0]=3 3031 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|1,0,0]=3 3032 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|0,0,0]=2 3033 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|0,0,0]=2 3034 B9R1.69 Cc1cc(cnc1Br)O 271570a_203496583355_100009816107 [2,0,0,0,0,0|2,0,0]=4 3035 B9R1.69 Cc1cc(cnc1C)O 271570a_203496583355_100000697892 [2,0,0,0,0,0|2,0,0]=4 3036 B9R1.69 Cc1cc(cnc1Cl)O 271570a_203496583355_100009922867 [2,0,0,0,0,0|2,0,0]=4 3037 B9R1.69 Cc1cc(cnc1F)O 271570a_203496583355_100000709442 [2,0,0,0,0,0|2,0,0]=4 3038 B9R1.69 Cc1cc(cnc1N)O 271570a_203496583355_100000186686 [2,0,0,0,0,0|2,0,0]=4 3039 B9R1.69 Cc1cc(cnc1O)Br 271570a_203496583355_100012353652 [2,0,0,0,0,0|2,0,0]=4 3040 B9R1.69 Cc1cc(cnc1O)F 271570a_203496583355_100009817009 [2,0,0,0,0,0|2,0,0]=4 3041 B9R1.69 Cc1cc(cnc1O)N 271570a_203496583355_100000761747 [2,0,0,0,0,0|2,0,0]=4 3042 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [2,0,0,0,0,0|1,0,0]=3 3043 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [2,0,0,0,0,0|1,0,0]=3 3044 B9R1.69 Cc1cc(ncc1Br)O 271570a_203496583355_100012356354 [2,0,0,0,0,0|2,0,0]=4 3045 B9R1.69 Cc1cc(ncc1F)O 271570a_203496583355_100009818257 [2,0,0,0,0,0|2,0,0]=4 3046 B9R1.69 Cc1cc(ncc1N)O 271570a_203496583355_100000765520 [2,0,0,0,0,0|2,0,0]=4 3047 B9R1.69 Cc1cc(ncc1O)Br 271570a_203496583355_100009816104 [2,0,0,0,0,0|2,0,0]=4 3048 B9R1.69 Cc1cc(ncc1O)Cl 271570a_203496583355_100010172789 [2,0,0,0,0,0|2,0,0]=4 3049 B9R1.69 Cc1cc(ncc1O)F 271570a_203496583355_100009820716 [2,0,0,0,0,0|2,0,0]=4 3050 B9R1.69 Cc1cc(ncc1O)N 271570a_203496583355_100000050067 [2,0,0,0,0,0|2,0,0]=4 3051 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [2,0,0,0,0,0|1,0,0]=3 3052 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [2,0,0,0,0,0|1,0,0]=3 3053 B9R1.69 Cc1ccc([n+](c1)[O-])O 271570a_203496583355_100009819918 [2,0,0,0,0,0|1,0,1]=4 3054 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|1,0,0]=3 3055 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|0,0,0]=2 3056 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|1,0,0]=3 3057 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|1,0,0]=3 3058 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|1,0,0]=3 3059 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|1,0,0]=3 3060 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|1,0,0]=3 3061 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|1,0,0]=3 3062 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|1,0,0]=3 3063 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|1,0,0]=3 3064 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|0,0,0]=2 3065 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|0,0,0]=2 3066 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [2,0,0,0,0,0|1,0,0]=3 3067 B9R1.69 Cc1ccc(c(n1)F)O 271570a_203496583355_100010006597 [2,0,0,0,0,0|2,0,0]=4 3068 B9R1.69 Cc1ccc(c(n1)N)O 271570a_203496583355_100009816662 [2,0,0,0,0,0|2,0,0]=4 3069 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [2,0,0,0,0,0|2,0,0]=4 3070 B9R1.69 Cc1ccc(c(n1)O)F 271570a_203496583355_100009817602 [2,0,0,0,0,0|2,0,0]=4 3071 B9R1.69 Cc1ccc(c(n1)O)N 271570a_203496583355_100000685570 [2,0,0,0,0,0|2,0,0]=4 3072 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|1,0,0]=3 3073 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|1,0,0]=3 3074 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [2,0,0,0,0,0|2,0,0]=4 3075 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,0,0,0,0,0|1,0,0]=3 3076 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [2,0,0,0,0,0|2,0,0]=4 3077 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [2,0,0,0,0,0|2,0,0]=4 3078 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [2,0,0,0,0,0|2,0,0]=4 3079 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 3080 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 3081 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 3082 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|2,0,0]=4 3083 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|1,0,0]=3 3084 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|1,0,0]=3 3085 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [2,0,0,0,0,0|2,0,0]=4 3086 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [2,0,0,0,0,0|1,0,0]=3 3087 B9R1.69 Cc1cnc(c(c1)F)O 271570a_203496583355_100009819633 [2,0,0,0,0,0|2,0,0]=4 3088 B9R1.69 Cc1cnc(c(c1)N)O 271570a_203496583355_100000733613 [2,0,0,0,0,0|2,0,0]=4 3089 B9R1.69 Cc1cnc(c(c1)O)C 271570a_203496583355_100009817436 [2,0,0,0,0,0|2,0,0]=4 3090 B9R1.69 Cc1cnc(c(c1)O)Cl 271570a_203496583355_100010210167 [2,0,0,0,0,0|2,0,0]=4 3091 B9R1.69 Cc1cnc(c(c1)O)F 271570a_203496583355_100000049784 [2,0,0,0,0,0|2,0,0]=4 3092 B9R1.69 Cc1cnc(c(c1)O)N 271570a_203496583355_100000049664 [2,0,0,0,0,0|2,0,0]=4 3093 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|1,0,0]=3 3094 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|1,0,0]=3 3095 B9R1.69 Cc1cnc(c(n1)C)O 271570a_203496583355_100000065684 [2,0,0,0,0,0|2,0,0]=4 3096 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [2,0,0,0,0,0|2,0,0]=4 3097 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [2,0,0,0,0,0|2,0,0]=4 3098 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [2,0,0,0,0,0|2,0,0]=4 3099 B9R1.69 Cc1nc(ccc1Br)O 271570a_203496583355_100012360386 [2,0,0,0,0,0|2,0,0]=4 3100 B9R1.69 Cc1nc(ccc1F)O 271570a_203496583355_100009814307 [2,0,0,0,0,0|2,0,0]=4 3101 B9R1.69 Cc1nc(ccc1N)O 271570a_203496583355_100000760127 [2,0,0,0,0,0|2,0,0]=4 3102 B9R1.69 Cc1nc(ccc1O)Cl 271570a_203496583355_100000062408 [2,0,0,0,0,0|2,0,0]=4 3103 B9R1.69 Cc1nc(ccc1O)F 271570a_203496583355_100000688911 [2,0,0,0,0,0|2,0,0]=4 3104 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [2,0,0,0,0,0|2,0,0]=4 3105 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [2,0,0,0,0,0|1,0,0]=3 3106 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [2,0,0,0,0,0|1,0,0]=3 3107 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009819603 [2,0,0,0,0,0|2,0,0]=4 3108 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009864810 [2,0,0,0,0,0|2,0,0]=4 3109 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [2,0,0,0,0,0|1,0,1]=4 3110 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [2,0,0,0,0,0|1,0,1]=4 3111 B9R1.69 Nc1cc(ccc1Br)O 271570a_203496583355_100000750456 [2,0,0,0,0,0|2,0,0]=4 3112 B9R1.69 Nc1cc(ccc1Cl)O 271570a_203496583355_200000761891 [2,0,0,0,0,0|2,0,0]=4 3113 B9R1.69 Nc1cc(ccc1F)O 271570a_203496583355_100000740924 [2,0,0,0,0,0|2,0,0]=4 3114 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 3115 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 3116 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 3117 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|1,0,0]=3 3118 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|1,0,0]=3 3119 B9R1.69 Nc1cc(cnc1O)O 271570a_203496583355_100000743729 [2,0,0,0,0,0|2,0,0]=4 3120 B9R1.69 Nc1cc(ncc1O)O 271570a_203496583355_100009819941 [2,0,0,0,0,0|2,0,0]=4 3121 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|2,0,0]=4 3122 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|2,0,0]=4 3123 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|2,0,0]=4 3124 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|2,0,0]=4 3125 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|2,0,0]=4 3126 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|2,0,0]=4 3127 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|2,0,0]=4 3128 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|2,0,0]=4 3129 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|1,0,0]=3 3130 B9R1.69 Nc1ccc(cc1Br)O 271570a_203496583355_100000750455 [2,0,0,0,0,0|2,0,0]=4 3131 B9R1.69 Nc1ccc(cc1Cl)O 271570a_203496583355_100011218065 [2,0,0,0,0,0|2,0,0]=4 3132 B9R1.69 Nc1ccc(cc1F)O 271570a_203496583355_100011215594 [2,0,0,0,0,0|2,0,0]=4 3133 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [2,0,0,0,0,0|2,0,0]=4 3134 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 3135 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 3136 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 3137 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|1,0,0]=3 3138 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|1,0,0]=3 3139 B9R1.69 Nc1ccc(nc1O)O 271570a_203496583355_100000718904 [2,0,0,0,0,0|2,0,0]=4 3140 B9R1.69 Nc1nc(ccc1O)O 271570a_203496583355_100000685527 [2,0,0,0,0,0|2,0,0]=4 3141 B9R1.69 Nc1ncc(cc1O)O 271570a_203496583355_100009819042 [2,0,0,0,0,0|2,0,0]=4 3142 B9R1.69 O=c1[nH]cc(cc1O)O 271570a_203496583355_100009814561 [2,0,0,0,0,0|1,0,1]=4 3143 B9R1.69 Oc1cc(c(cn1)F)O 271570a_203496583355_100009854642 [2,0,0,0,0,0|2,0,0]=4 3144 B9R1.69 Oc1cc(c(nn1)O)O 271570a_203496583355_100000759565 [2,0,0,0,0,0|2,0,0]=4 3145 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 3146 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 3147 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 3148 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 3149 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 3150 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 3151 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 3152 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 3153 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 3154 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 3155 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 3156 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 3157 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 3158 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 3159 B9R1.69 Oc1ccc(c(c1)Br)Br 271570a_203496583355_100012356285 [2,0,0,0,0,0|2,0,0]=4 3160 B9R1.69 Oc1ccc(c(c1)Br)Cl 271570a_203496583355_100012353702 [2,0,0,0,0,0|2,0,0]=4 3161 B9R1.69 Oc1ccc(c(c1)Br)F 271570a_203496583355_100012047266 [2,0,0,0,0,0|2,0,0]=4 3162 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|1,0,0]=3 3163 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|1,0,0]=3 3164 B9R1.69 Oc1ccc(c(c1)Cl)Br 271570a_203496583355_100012047281 [2,0,0,0,0,0|2,0,0]=4 3165 B9R1.69 Oc1ccc(c(c1)Cl)Cl 271570a_203496583355_100011214914 [2,0,0,0,0,0|2,0,0]=4 3166 B9R1.69 Oc1ccc(c(c1)Cl)F 271570a_203496583355_100011215976 [2,0,0,0,0,0|2,0,0]=4 3167 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|1,0,0]=3 3168 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|1,0,0]=3 3169 B9R1.69 Oc1ccc(c(c1)F)Br 271570a_203496583355_100000685389 [2,0,0,0,0,0|2,0,0]=4 3170 B9R1.69 Oc1ccc(c(c1)F)Cl 271570a_203496583355_100011216805 [2,0,0,0,0,0|2,0,0]=4 3171 B9R1.69 Oc1ccc(c(c1)F)F 271570a_203496583355_100000750028 [2,0,0,0,0,0|2,0,0]=4 3172 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|1,0,0]=3 3173 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|1,0,0]=3 3174 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|1,0,0]=3 3175 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|1,0,0]=3 3176 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|1,0,0]=3 3177 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|1,0,0]=3 3178 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|1,0,0]=3 3179 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|1,0,0]=3 3180 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|0,0,0]=2 3181 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|0,0,0]=2 3182 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|0,0,0]=2 3183 B9R1.69 Oc1ccc(c(n1)Br)O 271570a_203496583355_100000725334 [2,0,0,0,0,0|2,0,0]=4 3184 B9R1.69 Oc1ccc(c(n1)Cl)O 271570a_203496583355_100000721234 [2,0,0,0,0,0|2,0,0]=4 3185 B9R1.69 Oc1ccc(c(n1)F)O 271570a_203496583355_100009819667 [2,0,0,0,0,0|2,0,0]=4 3186 B9R1.69 Oc1ccc(c(n1)F)O 271570a_203496583355_100009879308 [2,0,0,0,0,0|2,0,0]=4 3187 B9R1.69 Oc1ccc(c(n1)O)F 271570a_203496583355_100010729010 [2,0,0,0,0,0|2,0,0]=4 3188 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 3189 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 3190 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 3191 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 3192 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 3193 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 3194 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 3195 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 3196 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 3197 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 3198 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 3199 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 3200 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 3201 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 3202 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 3203 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 3204 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 3205 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 3206 B9R1.69 Oc1cnc(c(c1)Cl)O 271570a_203496583355_100010238531 [2,0,0,0,0,0|2,0,0]=4 3207 B9R1.69 Oc1cnc(c(c1)F)O 271570a_203496583355_100000063512 [2,0,0,0,0,0|2,0,0]=4 3208 B9R1.69 Oc1cnc(c(c1)O)F 271570a_203496583355_100009817267 [2,0,0,0,0,0|2,0,0]=4 3209 B9R1.69 Oc1cnc(c(c1)O)F 271570a_203496583355_100009819871 [2,0,0,0,0,0|2,0,0]=4 3210 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 3211 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,1]=4 3212 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,0]=3 3213 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|2,0,0]=4 3214 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|2,0,0]=4 3215 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 3216 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 3217 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 3218 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 3219 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 3220 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 3221 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,0]=3 3222 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|2,0,0]=4 3223 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|2,0,0]=4 3224 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 3225 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,2]=4 3226 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,0]=2 3227 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|1,0,0]=3 3228 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|1,0,0]=3 3229 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [2,0,0,0,0,0|2,0,0]=4 3230 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [2,0,0,0,0,0|2,0,0]=4 3231 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [2,0,0,0,0,0|2,0,0]=4 3232 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 3233 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 3234 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 3235 B11R1.8 C=Cc1cc(cc(c1O)C)C 271570a_100011290941_100011934984 [1,1,0,0,0,0|1,0,1]=4 3236 B11R1.8 C=Cc1cc(cc(c1O)F)C 271570a_100011290941_200135191068 [1,1,0,0,0,0|1,0,1]=4 3237 B11R1.8 CCc1cc(cc(c1N)C)O 271570a_203496583355_200000186424 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.8 CCc1cc(cc(c1O)C)O 271570a_203496583355_100010659108 [1,1,0,0,0,0|1,0,0]=3 3239 B11R1.8 CNc1cc(cc(c1C)Br)C 2230a_102495365385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.8 CNc1cc(cc(c1C)Br)C 34a_102495365385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.8 CNc1cc(cc(c1C)Br)C 7a_102495365385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.8 CNc1cc(cc(c1C)C)C 2230a_100000035412_200000210301 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.8 CNc1cc(cc(c1C)C)C 34a_100000035412_200000210301 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.8 CNc1cc(cc(c1C)C)C 7a_100000035412_200000210301 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.8 CNc1cc(cc(c1F)Br)C 2230a_100010589139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B11R1.8 CNc1cc(cc(c1F)Br)C 34a_100010589139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3247 B11R1.8 CNc1cc(cc(c1F)Br)C 7a_100010589139_200000210301 [1,1,0,0,0,0|2,0,0]=4 3248 B11R1.8 CNc1cc(cc(c1I)F)C 34a_100021129147_200000210301 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.8 CNc1cc(cc(c1I)F)C 7a_100021129147_200000210301 [1,1,0,0,0,0|2,0,0]=4 3250 B11R1.8 CNc1cc(cc(c1O)Br)Br 34a_100010781877_200000210301 [1,1,0,0,0,0|2,0,0]=4 3251 B11R1.8 CNc1cc(cc(c1O)Br)Cl 34a_106741647128_200000210301 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.8 CNc1cc(cc(c1O)Br)F 34a_200011217456_200000210301 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.8 CNc1cc(cc(c1O)C)Br 34a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3254 B11R1.8 CNc1cc(cc(c1O)C)Br 7a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.8 CNc1cc(cc(c1O)C)C 34a_100011216242_200000210301 [1,1,0,0,0,0|1,0,0]=3 3256 B11R1.8 CNc1cc(cc(c1O)C)C 7a_100011216242_200000210301 [1,1,0,0,0,0|1,0,0]=3 3257 B11R1.8 CNc1cc(cc(c1O)C)F 34a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.8 CNc1cc(cc(c1O)C)F 7a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.8 CNc1cc(cc(c1O)Cl)Br 34a_100000694353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.8 CNc1cc(cc(c1O)Cl)Cl 34a_100000695819_200000210301 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.8 CNc1cc(cc(c1O)F)Br 34a_100011217383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.8 CNc1cc(cc(c1O)F)Br 7a_100011217383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.8 CNc1cc(cc(c1O)F)F 34a_100015205836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.8 COc1cc([nH]c(=O)c1C)C 34a_200000102746_200000210301 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.8 COc1cc(cc(c1Br)C)C 34a_100010342985_200000210301 [1,1,0,0,0,0|1,0,0]=3 3266 B11R1.8 COc1cc(cc(c1Br)C)C 7a_100010342985_200000210301 [1,1,0,0,0,0|1,0,0]=3 3267 B11R1.8 COc1cc(cc(c1Br)F)Cl 34a_100015539415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.8 COc1cc(cc(c1Br)F)Cl 7a_100015539415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.8 COc1cc(cc(c1Br)F)F 34a_100009815984_200000210301 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.8 COc1cc(cc(c1Br)F)F 7a_100009815984_200000210301 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.8 COc1cc(cc(c1C)C)C 34a_100000230004_200000210301 [1,1,0,0,0,0|1,0,0]=3 3272 B11R1.8 COc1cc(cc(c1C)C)C 7a_100000230004_200000210301 [1,1,0,0,0,0|1,0,0]=3 3273 B11R1.8 COc1cc(cc(c1Cl)C)C 34a_100000094344_200000210301 [1,1,0,0,0,0|1,0,0]=3 3274 B11R1.8 COc1cc(cc(c1Cl)C)C 7a_100000094344_200000210301 [1,1,0,0,0,0|1,0,0]=3 3275 B11R1.8 COc1cc(cc(c1Cl)Cl)N 34a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3276 B11R1.8 COc1cc(cc(c1Cl)Cl)N 7a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3277 B11R1.8 COc1cc(cc(c1Cl)F)Br 34a_100010981968_200000210301 [1,1,0,0,0,0|2,0,0]=4 3278 B11R1.8 COc1cc(cc(c1Cl)F)Br 7a_100010981968_200000210301 [1,1,0,0,0,0|2,0,0]=4 3279 B11R1.8 COc1cc(cc(c1Cl)F)F 34a_200000037661_200000210301 [1,1,0,0,0,0|2,0,0]=4 3280 B11R1.8 COc1cc(cc(c1Cl)F)F 7a_200000037661_200000210301 [1,1,0,0,0,0|2,0,0]=4 3281 B11R1.8 COc1cc(cc(c1F)C)O 271570a_203496583355_100010271686 [1,1,0,0,0,0|1,0,0]=3 3282 B11R1.8 COc1cc(cc(c1F)Cl)Br 34a_100010077842_200000210301 [1,1,0,0,0,0|2,0,0]=4 3283 B11R1.8 COc1cc(cc(c1F)Cl)Br 7a_100010077842_200000210301 [1,1,0,0,0,0|2,0,0]=4 3284 B11R1.8 COc1cc(cc(c1F)F)Br 34a_100000709865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3285 B11R1.8 COc1cc(cc(c1F)F)Br 7a_100000709865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3286 B11R1.8 COc1cc(cc(c1F)F)F 34a_200011215507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3287 B11R1.8 COc1cc(cc(c1F)F)F 7a_200011215507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3288 B11R1.8 COc1cc(cc(c1F)F)O 271570a_203496583355_100011218012 [1,1,0,0,0,0|1,0,0]=3 3289 B11R1.8 COc1cc(cc(c1F)O)O 271570a_203496583355_200015524394 [1,1,0,0,0,0|1,0,0]=3 3290 B11R1.8 COc1cc(cc(c1I)C)Cl 34a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.8 COc1cc(cc(c1I)C)Cl 7a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3292 B11R1.8 COc1cc(cc(c1N)Br)Cl 34a_100015696055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.8 COc1cc(cc(c1N)Br)Cl 7a_100015696055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.8 COc1cc(cc(c1N)C)Br 34a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 3295 B11R1.8 COc1cc(cc(c1N)C)Br 7a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 3296 B11R1.8 COc1cc(cc(c1N)C)O 271570a_203496583355_100000741850 [1,1,0,0,0,0|1,0,0]=3 3297 B11R1.8 COc1cc(cc(c1N)Cl)C 34a_100015906060_200000210301 [1,1,0,0,0,0|1,0,0]=3 3298 B11R1.8 COc1cc(cc(c1N)Cl)C 7a_100015906060_200000210301 [1,1,0,0,0,0|1,0,0]=3 3299 B11R1.8 COc1cc(cc(c1N)F)Br 34a_100015475841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3300 B11R1.8 COc1cc(cc(c1N)F)Br 7a_100015475841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3301 B11R1.8 COc1cc(cc(c1N)F)Cl 34a_100010883250_200000210301 [1,1,0,0,0,0|2,0,0]=4 3302 B11R1.8 COc1cc(cc(c1N)F)Cl 7a_100010883250_200000210301 [1,1,0,0,0,0|2,0,0]=4 3303 B11R1.8 COc1cc(cc(c1N)F)F 34a_100011217947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3304 B11R1.8 COc1cc(cc(c1N)F)F 7a_100011217947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3305 B11R1.8 COc1cc(cc(c1N)O)F 271570a_203496583355_100011004115 [1,1,0,0,0,0|2,0,0]=4 3306 B11R1.8 COc1cc(cc(c1O)Br)Cl 271570a_203496583355_100025705407 [1,1,0,0,0,0|1,0,0]=3 3307 B11R1.8 COc1cc(cc(c1O)Cl)Cl 271570a_203496583355_100010292537 [1,1,0,0,0,0|1,0,0]=3 3308 B11R1.8 COc1cc(cc(c1O)F)Br 271570a_203496583355_100010713143 [1,1,0,0,0,0|1,0,0]=3 3309 B11R1.8 COc1cc(cc(c1O)O)F 271570a_203496583355_200010391102 [1,1,0,0,0,0|1,0,0]=3 3310 B11R1.8 CSc1cc(cc(c1C)C)O 62a_100010068915_200000210301 [1,1,0,0,0,0|1,1,0]=4 3311 B11R1.8 CSc1cc(cc(c1C)C)O 62a_200000210301_100010068915 [1,1,0,0,0,0|1,1,0]=4 3312 B11R1.8 CSc1cc(cc(c1C)F)C 62a_100015473476_200000210301 [1,1,0,0,0,0|1,1,0]=4 3313 B11R1.8 CSc1cc(cc(c1C)F)C 62a_200000210301_100015473476 [1,1,0,0,0,0|1,1,0]=4 3314 B11R1.8 CSc1cc(cc(c1C)N)C 62a_102495365385_200000210301 [1,1,0,0,0,0|1,1,0]=4 3315 B11R1.8 CSc1cc(cc(c1C)N)C 62a_200000210301_102495365385 [1,1,0,0,0,0|1,1,0]=4 3316 B11R1.8 CSc1cc(cc(c1F)C)C 62a_200000210301_200010204574 [1,1,0,0,0,0|1,1,0]=4 3317 B11R1.8 CSc1cc(cc(c1F)C)C 62a_200010204574_200000210301 [1,1,0,0,0,0|1,1,0]=4 3318 B11R1.8 CSc1cc(cc(c1F)F)C 62a_100010141297_200000210301 [1,1,0,0,0,0|1,1,0]=4 3319 B11R1.8 CSc1cc(cc(c1F)F)C 62a_200000210301_100010141297 [1,1,0,0,0,0|1,1,0]=4 3320 B11R1.8 CSc1cc(cc(c1F)N)C 62a_100010589139_200000210301 [1,1,0,0,0,0|1,1,0]=4 3321 B11R1.8 CSc1cc(cc(c1F)N)C 62a_200000210301_100010589139 [1,1,0,0,0,0|1,1,0]=4 3322 B11R1.8 CSc1cc(cc(c1N)C)C 62a_100000688863_200000210301 [1,1,0,0,0,0|1,1,0]=4 3323 B11R1.8 CSc1cc(cc(c1N)C)C 62a_200000210301_100000688863 [1,1,0,0,0,0|1,1,0]=4 3324 B11R1.8 CSc1cc(cc(c1N)F)C 62a_100012353694_200000210301 [1,1,0,0,0,0|1,1,0]=4 3325 B11R1.8 CSc1cc(cc(c1N)F)C 62a_200000210301_100012353694 [1,1,0,0,0,0|1,1,0]=4 3326 B11R1.8 CSc1cc(cc(c1N)N)C 62a_100012348275_200000210301 [1,1,0,0,0,0|1,1,0]=4 3327 B11R1.8 CSc1cc(cc(c1N)N)C 62a_200000210301_100012348275 [1,1,0,0,0,0|1,1,0]=4 3328 B11R1.8 CSc1cc(cc(c1O)Br)F 62a_200000210301_200013085147 [1,1,0,0,0,0|1,1,0]=4 3329 B11R1.8 CSc1cc(cc(c1O)Br)F 62a_200013085147_200000210301 [1,1,0,0,0,0|1,1,0]=4 3330 B11R1.8 CSc1cc(cc(c1O)C)C 62a_100011934984_200000210301 [1,1,0,0,0,0|0,1,0]=3 3331 B11R1.8 CSc1cc(cc(c1O)C)C 62a_200000210301_100011934984 [1,1,0,0,0,0|0,1,0]=3 3332 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_100012343667_200000210301 [1,1,0,0,0,0|1,1,0]=4 3333 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_200000210301_100012343667 [1,1,0,0,0,0|1,1,0]=4 3334 B11R1.8 CSc1cc(cc(c1O)C)N 62a_100010064301_200000210301 [1,1,0,0,0,0|1,1,0]=4 3335 B11R1.8 CSc1cc(cc(c1O)C)N 62a_200000210301_100010064301 [1,1,0,0,0,0|1,1,0]=4 3336 B11R1.8 CSc1cc(cc(c1O)Cl)Cl 62a_200000210301_200012339341 [1,1,0,0,0,0|1,1,0]=4 3337 B11R1.8 CSc1cc(cc(c1O)Cl)Cl 62a_200012339341_200000210301 [1,1,0,0,0,0|1,1,0]=4 3338 B11R1.8 CSc1cc(cc(c1O)F)Br 62a_100013354677_200000210301 [1,1,0,0,0,0|1,1,0]=4 3339 B11R1.8 CSc1cc(cc(c1O)F)Br 62a_200000210301_100013354677 [1,1,0,0,0,0|1,1,0]=4 3340 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200000210301_200135191068 [1,1,0,0,0,0|0,1,0]=3 3341 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200135191068_200000210301 [1,1,0,0,0,0|0,1,0]=3 3342 B11R1.8 CSc1cc(cc(c1O)F)F 62a_100000688693_200000210301 [1,1,0,0,0,0|1,1,0]=4 3343 B11R1.8 CSc1cc(cc(c1O)F)F 62a_200000210301_100000688693 [1,1,0,0,0,0|1,1,0]=4 3344 B11R1.8 CSc1cc(cc(c1O)N)Br 62a_100016071998_200000210301 [1,1,0,0,0,0|1,1,0]=4 3345 B11R1.8 CSc1cc(cc(c1O)N)Br 62a_200000210301_100016071998 [1,1,0,0,0,0|1,1,0]=4 3346 B11R1.8 CSc1cc(cc(c1O)N)F 62a_200000210301_200011217456 [1,1,0,0,0,0|1,1,0]=4 3347 B11R1.8 CSc1cc(cc(c1O)N)F 62a_200011217456_200000210301 [1,1,0,0,0,0|1,1,0]=4 3348 B11R1.8 Cc1cc(c(c(=O)[nH]1)C)O[13CH3] 34a_200000102746_200025704644 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.8 Cc1cc(c(c(c1)C=O)O)O 271570a_203496583355_100000698970 [1,1,0,0,0,0|2,0,0]=4 3350 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)Br 2230a_102495365385_200025704644 [1,1,0,0,0,0|2,0,0]=4 3351 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)Br 34a_102495365385_200025704644 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)Br 7a_102495365385_200025704644 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)C 2230a_100000035412_200025704644 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)C 34a_100000035412_200025704644 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.8 Cc1cc(c(c(c1)N[13CH3])C)C 7a_100000035412_200025704644 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.8 Cc1cc(c(c(c1)N[13CH3])F)Br 2230a_100010589139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.8 Cc1cc(c(c(c1)N[13CH3])F)Br 34a_100010589139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3358 B11R1.8 Cc1cc(c(c(c1)N[13CH3])F)Br 7a_100010589139_200025704644 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.8 Cc1cc(c(c(c1)N[13CH3])I)F 34a_100021129147_200025704644 [1,1,0,0,0,0|2,0,0]=4 3360 B11R1.8 Cc1cc(c(c(c1)N[13CH3])I)F 7a_100021129147_200025704644 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 34a_100011216242_200025704644 [1,1,0,0,0,0|1,0,0]=3 3362 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 7a_100011216242_200025704644 [1,1,0,0,0,0|1,0,0]=3 3363 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 34a_100010342985_200025704644 [1,1,0,0,0,0|1,0,0]=3 3364 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 7a_100010342985_200025704644 [1,1,0,0,0,0|1,0,0]=3 3365 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 34a_100000230004_200025704644 [1,1,0,0,0,0|1,0,0]=3 3366 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 7a_100000230004_200025704644 [1,1,0,0,0,0|1,0,0]=3 3367 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 34a_100000094344_200025704644 [1,1,0,0,0,0|1,0,0]=3 3368 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 7a_100000094344_200025704644 [1,1,0,0,0,0|1,0,0]=3 3369 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 34a_100015906060_200025704644 [1,1,0,0,0,0|1,0,0]=3 3370 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 7a_100015906060_200025704644 [1,1,0,0,0,0|1,0,0]=3 3371 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)F 62a_100015473476_200025704644 [1,1,0,0,0,0|1,1,0]=4 3372 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)F 62a_200025704644_100015473476 [1,1,0,0,0,0|1,1,0]=4 3373 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)N 62a_102495365385_200025704644 [1,1,0,0,0,0|1,1,0]=4 3374 B11R1.8 Cc1cc(c(c(c1)S[13CH3])C)N 62a_200025704644_102495365385 [1,1,0,0,0,0|1,1,0]=4 3375 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)C 62a_200010204574_200025704644 [1,1,0,0,0,0|1,1,0]=4 3376 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)C 62a_200025704644_200010204574 [1,1,0,0,0,0|1,1,0]=4 3377 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)F 62a_100010141297_200025704644 [1,1,0,0,0,0|1,1,0]=4 3378 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)F 62a_200025704644_100010141297 [1,1,0,0,0,0|1,1,0]=4 3379 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)N 62a_100010589139_200025704644 [1,1,0,0,0,0|1,1,0]=4 3380 B11R1.8 Cc1cc(c(c(c1)S[13CH3])F)N 62a_200025704644_100010589139 [1,1,0,0,0,0|1,1,0]=4 3381 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)C 62a_100000688863_200025704644 [1,1,0,0,0,0|1,1,0]=4 3382 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_100000688863 [1,1,0,0,0,0|1,1,0]=4 3383 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)F 62a_100012353694_200025704644 [1,1,0,0,0,0|1,1,0]=4 3384 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)F 62a_200025704644_100012353694 [1,1,0,0,0,0|1,1,0]=4 3385 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)N 62a_100012348275_200025704644 [1,1,0,0,0,0|1,1,0]=4 3386 B11R1.8 Cc1cc(c(c(c1)S[13CH3])N)N 62a_200025704644_100012348275 [1,1,0,0,0,0|1,1,0]=4 3387 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_100011934984_200025704644 [1,1,0,0,0,0|0,1,0]=3 3388 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_200025704644_100011934984 [1,1,0,0,0,0|0,1,0]=3 3389 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200025704644_200135191068 [1,1,0,0,0,0|0,1,0]=3 3390 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200135191068_200025704644 [1,1,0,0,0,0|0,1,0]=3 3391 B11R1.8 Cc1cc(cc(c1C)S[13CH3])O 62a_100010068915_200025704644 [1,1,0,0,0,0|1,1,0]=4 3392 B11R1.8 Cc1cc(cc(c1C)S[13CH3])O 62a_200025704644_100010068915 [1,1,0,0,0,0|1,1,0]=4 3393 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 34a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3394 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 7a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3395 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 34a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 3396 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 7a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 3397 B11R1.8 Cc1cc(cc(c1O)C#N)O 271570a_203496583355_100010195408 [1,1,0,0,0,0|2,0,0]=4 3398 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 34a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 7a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3400 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 34a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 3401 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 7a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 3402 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_100012343667_200025704644 [1,1,0,0,0,0|1,1,0]=4 3403 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_200025704644_100012343667 [1,1,0,0,0,0|1,1,0]=4 3404 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_100010064301_200025704644 [1,1,0,0,0,0|1,1,0]=4 3405 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_200025704644_100010064301 [1,1,0,0,0,0|1,1,0]=4 3406 B11R1.8 O=Cc1cc(cc(c1O)F)O 271570a_203496583355_100011217654 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)Br 34a_100010781877_200025704644 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)Cl 34a_106741647128_200025704644 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)F 34a_200011217456_200025704644 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.8 [13CH3]Nc1cc(cc(c1O)Cl)Br 34a_100000694353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.8 [13CH3]Nc1cc(cc(c1O)Cl)Cl 34a_100000695819_200025704644 [1,1,0,0,0,0|2,0,0]=4 3412 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)Br 34a_100011217383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3413 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)Br 7a_100011217383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)F 34a_100015205836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3415 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)Cl 34a_100015539415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3416 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)Cl 7a_100015539415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3417 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)F 34a_100009815984_200025704644 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)F 7a_100009815984_200025704644 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)Cl)N 34a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)Cl)N 7a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)Br 34a_100010981968_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)Br 7a_100010981968_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)F 34a_200000037661_200025704644 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)F 7a_200000037661_200025704644 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.8 [13CH3]Oc1cc(cc(c1F)Cl)Br 34a_100010077842_200025704644 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.8 [13CH3]Oc1cc(cc(c1F)Cl)Br 7a_100010077842_200025704644 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)Br 34a_100000709865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)Br 7a_100000709865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)F 34a_200011215507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)F 7a_200011215507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.8 [13CH3]Oc1cc(cc(c1N)Br)Cl 34a_100015696055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.8 [13CH3]Oc1cc(cc(c1N)Br)Cl 7a_100015696055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Br 34a_100015475841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Br 7a_100015475841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Cl 34a_100010883250_200025704644 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Cl 7a_100010883250_200025704644 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)F 34a_100011217947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)F 7a_100011217947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.8 [13CH3]Sc1cc(cc(c1O)Br)F 62a_200013085147_200025704644 [1,1,0,0,0,0|1,1,0]=4 3440 B11R1.8 [13CH3]Sc1cc(cc(c1O)Br)F 62a_200025704644_200013085147 [1,1,0,0,0,0|1,1,0]=4 3441 B11R1.8 [13CH3]Sc1cc(cc(c1O)Cl)Cl 62a_200012339341_200025704644 [1,1,0,0,0,0|1,1,0]=4 3442 B11R1.8 [13CH3]Sc1cc(cc(c1O)Cl)Cl 62a_200025704644_200012339341 [1,1,0,0,0,0|1,1,0]=4 3443 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)Br 62a_100013354677_200025704644 [1,1,0,0,0,0|1,1,0]=4 3444 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)Br 62a_200025704644_100013354677 [1,1,0,0,0,0|1,1,0]=4 3445 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)F 62a_100000688693_200025704644 [1,1,0,0,0,0|1,1,0]=4 3446 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)F 62a_200025704644_100000688693 [1,1,0,0,0,0|1,1,0]=4 3447 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)Br 62a_100016071998_200025704644 [1,1,0,0,0,0|1,1,0]=4 3448 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)Br 62a_200025704644_100016071998 [1,1,0,0,0,0|1,1,0]=4 3449 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)F 62a_200011217456_200025704644 [1,1,0,0,0,0|1,1,0]=4 3450 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)F 62a_200025704644_200011217456 [1,1,0,0,0,0|1,1,0]=4 3451 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [1,1,0,0,0,0|1,0,1]=4 3452 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,1,0,0,0,0|1,0,1]=4 3453 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,1,0,0,0,0|1,0,1]=4 3454 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,1,0,0,0,0|2,0,0]=4 3455 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,1,0,0,0,0|1,0,0]=3 3456 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,1,0,0,0,0|2,0,0]=4 3458 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,1,0,0,0,0|2,0,0]=4 3459 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|1,0,0]=3 3460 B11R1.37 C=Cc1ccc(cc1SC)C 271570a_100011290941_200010709736 [1,1,0,0,0,0|1,1,0]=4 3461 B11R1.37 C=Cc1ccc(nc1OC)C 271570a_100011290941_100010138632 [1,1,0,0,0,0|2,0,0]=4 3462 B11R1.37 C=Cc1cnc(cc1OC)C 271570a_100011290941_100000717771 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.37 C=Cc1ncc(cc1OC)C 271570a_100011290941_200000118316 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [1,1,0,0,0,0|1,0,1]=4 3465 B11R1.37 CCc1cc(ccc1NN)O 271570a_203496583355_100000700371 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|1,0,0]=3 3469 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|1,0,0]=3 3470 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3471 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3472 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|1,0,0]=3 3473 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3474 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|1,0,0]=3 3476 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|1,0,0]=3 3477 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3479 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|1,0,0]=3 3480 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3481 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3482 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3483 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3484 B11R1.37 CNc1cc(ccc1C#N)C 34a_100011218341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.37 CNc1cc(ccc1C#N)C 7a_100011218341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3486 B11R1.37 CNc1cc(ccc1C#N)O 271570a_203496583355_200012356631 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,1,0,0,0,0|1,0,0]=3 3489 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [1,1,0,0,0,0|2,0,0]=4 3492 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,1,0,0,0,0|1,0,0]=3 3493 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,1,0,0,0,0|1,0,0]=3 3494 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [1,1,0,0,0,0|2,0,0]=4 3495 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3496 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,1,0,0,0,0|1,0,0]=3 3498 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,1,0,0,0,0|1,0,0]=3 3499 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3500 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3501 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3502 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,1,0,0,0,0|1,0,0]=3 3503 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [1,1,0,0,0,0|1,1,0]=4 3504 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [1,1,0,0,0,0|1,1,0]=4 3505 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [1,1,0,0,0,0|1,1,0]=4 3506 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [1,1,0,0,0,0|1,1,0]=4 3507 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,1,0,0,0,0|1,0,0]=3 3510 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,1,0,0,0,0|1,0,0]=3 3511 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3512 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3513 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3514 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3515 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [1,1,0,0,0,0|2,0,0]=4 3516 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,1,0,0,0,0|1,0,0]=3 3518 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|0,0,1]=3 3519 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 3520 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 3521 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|0,0,0]=2 3522 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3523 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,1,0,0,0,0|1,0,0]=3 3524 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,1,0,0,0,0|1,0,0]=3 3525 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3526 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3527 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3528 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,1,0,0,0,0|1,0,0]=3 3529 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 3530 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 3531 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|0,0,0]=2 3532 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [1,1,0,0,0,0|1,0,0]=3 3533 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3534 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3535 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [1,1,0,0,0,0|1,0,0]=3 3536 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|1,0,0]=3 3537 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [1,1,0,0,0,0|1,1,0]=4 3538 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [1,1,0,0,0,0|1,1,0]=4 3539 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,1,0,0,0,0|0,1,0]=3 3540 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,1,0,0,0,0|0,1,0]=3 3541 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [1,1,0,0,0,0|1,1,0]=4 3542 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [1,1,0,0,0,0|1,1,0]=4 3543 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [1,1,0,0,0,0|1,1,0]=4 3544 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [1,1,0,0,0,0|1,1,0]=4 3545 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,1,0,0,0,0|1,1,0]=4 3546 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,1,0,0,0,0|1,1,0]=4 3547 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,1,0,0,0,0|0,1,0]=3 3548 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,1,0,0,0,0|0,1,0]=3 3549 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [1,1,0,0,0,0|1,1,0]=4 3550 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [1,1,0,0,0,0|1,1,0]=4 3551 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,1,0,0,0,0|0,1,0]=3 3552 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,1,0,0,0,0|0,1,0]=3 3553 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [1,1,0,0,0,0|1,1,0]=4 3554 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [1,1,0,0,0,0|1,1,0]=4 3555 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [1,1,0,0,0,0|1,1,0]=4 3556 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [1,1,0,0,0,0|1,1,0]=4 3557 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,1,0,0,0,0|1,1,0]=4 3558 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,1,0,0,0,0|1,1,0]=4 3559 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,1,0,0,0,0|0,1,0]=3 3560 B11R1.37 COc1cc(cnc1C#N)O 271570a_203496583355_100000719880 [1,1,0,0,0,0|2,0,0]=4 3561 B11R1.37 COc1cc(cnc1C=O)O 271570a_203496583355_100010246152 [1,1,0,0,0,0|1,0,1]=4 3562 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|1,0,0]=3 3563 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3564 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,1,0,0,0,0|2,0,0]=4 3565 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|1,0,0]=3 3566 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,1,0,0,0,0|2,0,0]=4 3567 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [1,1,0,0,0,0|1,1,0]=4 3568 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [1,1,0,0,0,0|1,1,0]=4 3569 B11R1.37 COc1cc(ncc1C#N)O 271570a_203496583355_100009830018 [1,1,0,0,0,0|2,0,0]=4 3570 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [1,1,0,0,0,0|1,0,0]=3 3571 B11R1.37 COc1cc(ncc1SC)C 62a_100000717771_200000210301 [1,1,0,0,0,0|1,1,0]=4 3572 B11R1.37 COc1cc(ncc1SC)C 62a_200000210301_100000717771 [1,1,0,0,0,0|1,1,0]=4 3573 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_100000717771_200025704644 [1,1,0,0,0,0|1,1,0]=4 3574 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_200025704644_100000717771 [1,1,0,0,0,0|1,1,0]=4 3575 B11R1.37 COc1cc(nnc1OC)O 271570a_203496583355_200000095610 [1,1,0,0,0,0|2,0,0]=4 3576 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [1,1,0,0,0,0|2,0,0]=4 3577 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [1,1,0,0,0,0|2,0,0]=4 3578 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [1,1,0,0,0,0|2,0,0]=4 3579 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,1,0,0,0,0|2,0,0]=4 3580 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [1,1,0,0,0,0|2,0,0]=4 3581 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3582 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3583 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [1,1,0,0,0,0|2,0,0]=4 3584 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [1,1,0,0,0,0|2,0,0]=4 3585 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,1,0,0,0,0|1,0,0]=3 3586 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,1,0,0,0,0|1,0,0]=3 3587 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [1,1,0,0,0,0|2,0,0]=4 3588 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3589 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 3590 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3591 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 3592 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3593 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|0,0,0]=2 3594 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|0,0,0]=2 3595 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|0,0,0]=2 3596 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [1,1,0,0,0,0|1,0,0]=3 3597 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 3598 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 3599 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3600 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3601 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3602 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3603 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [1,1,0,0,0,0|1,0,0]=3 3604 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,0]=3 3605 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|1,0,0]=3 3606 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,1,0,0,0,0|0,0,0]=2 3607 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3608 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3609 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|0,0,0]=2 3610 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|0,0,0]=2 3611 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 3612 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 3613 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3614 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3615 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,0]=3 3616 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [1,1,0,0,0,0|1,1,0]=4 3617 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [1,1,0,0,0,0|1,1,0]=4 3618 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,1,0,0,0,0|0,1,0]=3 3619 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,1,0,0,0,0|0,1,0]=3 3620 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [1,1,0,0,0,0|1,1,0]=4 3621 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [1,1,0,0,0,0|1,1,0]=4 3622 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [1,1,0,0,0,0|1,1,0]=4 3623 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [1,1,0,0,0,0|1,1,0]=4 3624 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,1,0,0,0,0|1,1,0]=4 3625 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,1,0,0,0,0|1,1,0]=4 3626 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [1,1,0,0,0,0|0,1,0]=3 3627 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [1,1,0,0,0,0|0,1,0]=3 3628 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [1,1,0,0,0,0|0,1,0]=3 3629 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [1,1,0,0,0,0|1,1,0]=4 3630 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [1,1,0,0,0,0|1,1,0]=4 3631 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,1,0,0,0,0|0,1,0]=3 3632 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,1,0,0,0,0|0,1,0]=3 3633 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [1,1,0,0,0,0|1,1,0]=4 3634 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [1,1,0,0,0,0|1,1,0]=4 3635 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [1,1,0,0,0,0|1,1,0]=4 3636 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [1,1,0,0,0,0|1,1,0]=4 3637 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,1,0,0,0,0|1,1,0]=4 3638 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,1,0,0,0,0|1,1,0]=4 3639 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [1,1,0,0,0,0|0,1,0]=3 3640 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [1,1,0,0,0,0|0,1,0]=3 3641 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|1,0,0]=3 3643 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [1,1,0,0,0,0|1,1,0]=4 3644 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [1,1,0,0,0,0|1,1,0]=4 3645 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [1,1,0,0,0,0|1,1,0]=4 3646 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [1,1,0,0,0,0|1,1,0]=4 3647 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [1,1,0,0,0,0|2,0,0]=4 3648 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3649 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [1,1,0,0,0,0|2,0,0]=4 3650 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3651 B11R1.37 COc1cnc(cc1SC)C 62a_100010109759_200000210301 [1,1,0,0,0,0|1,1,0]=4 3652 B11R1.37 COc1cnc(cc1SC)C 62a_200000210301_100010109759 [1,1,0,0,0,0|1,1,0]=4 3653 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_100010109759_200025704644 [1,1,0,0,0,0|1,1,0]=4 3654 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_200025704644_100010109759 [1,1,0,0,0,0|1,1,0]=4 3655 B11R1.37 COc1cnc(nc1OC)O 271570a_203496583355_100010280452 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.37 COc1nc(ccc1C#N)O 271570a_203496583355_100000708423 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.37 COc1nc(ccc1C=O)O 271570a_203496583355_100009864722 [1,1,0,0,0,0|1,0,1]=4 3658 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [1,1,0,0,0,0|2,0,0]=4 3659 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|1,0,0]=3 3660 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [1,1,0,0,0,0|1,1,0]=4 3662 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [1,1,0,0,0,0|1,1,0]=4 3663 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [1,1,0,0,0,0|1,1,0]=4 3664 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [1,1,0,0,0,0|1,1,0]=4 3665 B11R1.37 COc1nc(ncc1CO)O 271570a_203496583355_200011024631 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [1,1,0,0,0,0|1,1,0]=4 3668 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [1,1,0,0,0,0|1,1,0]=4 3669 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [1,1,0,0,0,0|1,1,0]=4 3670 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [1,1,0,0,0,0|1,1,0]=4 3671 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [1,1,0,0,0,0|2,0,0]=4 3672 B11R1.37 CSc1cc(ccc1C#N)C 62a_200000210301_100000693804 [1,1,0,0,0,0|1,1,0]=4 3673 B11R1.37 CSc1cc(ccc1C#N)O 62a_200000210301_100012184851 [1,1,0,0,0,0|1,1,0]=4 3674 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [1,1,0,0,0,0|0,1,1]=4 3675 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [1,1,0,0,0,0|0,1,1]=4 3676 B11R1.37 CSc1cc(ccc1C=O)O 62a_100011236494_200000210301 [1,1,0,0,0,0|0,1,1]=4 3677 B11R1.37 CSc1cc(ccc1C=O)O 62a_200000210301_100011236494 [1,1,0,0,0,0|0,1,1]=4 3678 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [1,1,0,0,0,0|1,1,0]=4 3679 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [1,1,0,0,0,0|1,1,0]=4 3680 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [1,1,0,0,0,0|1,1,0]=4 3681 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [1,1,0,0,0,0|1,1,0]=4 3682 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [1,1,0,0,0,0|1,1,0]=4 3683 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [1,1,0,0,0,0|1,1,0]=4 3684 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [1,1,0,0,0,0|0,1,0]=3 3685 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [1,1,0,0,0,0|0,1,0]=3 3686 B11R1.37 CSc1cc(ccc1NN)C 62a_100016996181_200000210301 [1,1,0,0,0,0|1,1,0]=4 3687 B11R1.37 CSc1cc(ccc1NN)C 62a_200000210301_100016996181 [1,1,0,0,0,0|1,1,0]=4 3688 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [1,1,0,0,0,0|0,2,0]=4 3689 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [1,1,0,0,0,0|0,2,0]=4 3690 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [1,1,0,0,0,0|0,2,0]=4 3691 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [1,1,0,0,0,0|0,2,0]=4 3692 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [1,1,0,0,0,0|0,2,0]=4 3693 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [1,1,0,0,0,0|0,2,0]=4 3694 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [1,1,0,0,0,0|0,2,0]=4 3695 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [1,1,0,0,0,0|0,2,0]=4 3696 B11R1.37 CSc1nc(ccc1CO)C 62a_102495338573_200000210301 [1,1,0,0,0,0|1,1,0]=4 3697 B11R1.37 CSc1nc(ccc1CO)C 62a_200000210301_102495338573 [1,1,0,0,0,0|1,1,0]=4 3698 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [1,1,0,0,0,0|2,0,0]=4 3699 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3701 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3702 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 34a_100011218341_200025704644 [1,1,0,0,0,0|2,0,0]=4 3703 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 7a_100011218341_200025704644 [1,1,0,0,0,0|2,0,0]=4 3704 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,1,0,0,0,0|1,0,0]=3 3705 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,1,0,0,0,0|1,0,0]=3 3706 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,1,0,0,0,0|1,0,0]=3 3707 B11R1.37 Cc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100000693804 [1,1,0,0,0,0|1,1,0]=4 3708 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [1,1,0,0,0,0|0,1,1]=4 3709 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [1,1,0,0,0,0|0,1,1]=4 3710 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_100016996181_200025704644 [1,1,0,0,0,0|1,1,0]=4 3711 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_200025704644_100016996181 [1,1,0,0,0,0|1,1,0]=4 3712 B11R1.37 Cc1ccc(c(n1)S[13CH3])CO 62a_102495338573_200025704644 [1,1,0,0,0,0|1,1,0]=4 3713 B11R1.37 Cc1ccc(c(n1)S[13CH3])CO 62a_200025704644_102495338573 [1,1,0,0,0,0|1,1,0]=4 3714 B11R1.37 OCc1ccc(cc1CO)O 271570a_203496583355_100000719600 [1,1,0,0,0,0|2,0,0]=4 3715 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3716 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3718 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3719 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3720 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3722 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3723 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3724 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [1,1,0,0,0,0|2,0,0]=4 3726 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 3727 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 3728 B11R1.37 [13CH3]Sc1cc(ccc1C#N)O 62a_200025704644_100012184851 [1,1,0,0,0,0|1,1,0]=4 3729 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_100011236494_200025704644 [1,1,0,0,0,0|0,1,1]=4 3730 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_200025704644_100011236494 [1,1,0,0,0,0|0,1,1]=4 3731 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [1,1,0,0,0,0|1,1,0]=4 3732 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [1,1,0,0,0,0|1,1,0]=4 3733 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [1,1,0,0,0,0|1,1,0]=4 3734 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [1,1,0,0,0,0|1,1,0]=4 3735 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [1,1,0,0,0,0|1,1,0]=4 3736 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [1,1,0,0,0,0|1,1,0]=4 3737 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [1,1,0,0,0,0|0,1,0]=3 3738 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [1,1,0,0,0,0|0,1,0]=3 3739 B11R1.72 CNc1c(ccc(c1C)Br)O 34a_100013039247_200000210301 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.72 CNc1c(ccc(c1C)C)C 2230a_100000117417_200000210301 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.72 CNc1c(ccc(c1C)C)C 34a_100000117417_200000210301 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.72 CNc1c(ccc(c1C)C)C 7a_100000117417_200000210301 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.72 CNc1c(ccc(c1Cl)C)Cl 34a_100000210993_200000210301 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.72 CNc1c(ccc(c1Cl)C)F 34a_106744479701_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.72 CNc1c(ccc(c1Cl)O)Cl 34a_100016988457_200000210301 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.72 CNc1c(ccc(c1Cl)O)Cl 7a_100016988457_200000210301 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.72 CNc1c(ccc(c1F)C)Cl 34a_100000062009_200000210301 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.72 CNc1c(ccc(c1F)C)F 2230a_102495364760_200000210301 [1,1,0,0,0,0|2,0,0]=4 3749 B11R1.72 CNc1c(ccc(c1F)C)F 34a_102495364760_200000210301 [1,1,0,0,0,0|2,0,0]=4 3750 B11R1.72 COc1c(cc[n+](c1C)[O-])O 271570a_203496583355_100000067051 [1,1,0,0,0,0|1,0,1]=4 3751 B11R1.72 COc1c(ccc(c1Br)C)F 34a_200010223207_200000210301 [1,1,0,0,0,0|1,0,0]=3 3752 B11R1.72 COc1c(ccc(c1Br)C)F 7a_200010223207_200000210301 [1,1,0,0,0,0|1,0,0]=3 3753 B11R1.72 COc1c(ccc(c1Br)F)F 34a_100010170822_200000210301 [1,1,0,0,0,0|2,0,0]=4 3754 B11R1.72 COc1c(ccc(c1Br)F)F 7a_100010170822_200000210301 [1,1,0,0,0,0|2,0,0]=4 3755 B11R1.72 COc1c(ccc(c1Br)F)N 34a_100010128263_200000210301 [1,1,0,0,0,0|2,0,0]=4 3756 B11R1.72 COc1c(ccc(c1Br)F)N 7a_100010128263_200000210301 [1,1,0,0,0,0|2,0,0]=4 3757 B11R1.72 COc1c(ccc(c1C)C)C 34a_100000211305_200000210301 [1,1,0,0,0,0|1,0,0]=3 3758 B11R1.72 COc1c(ccc(c1C)C)C 7a_100000211305_200000210301 [1,1,0,0,0,0|1,0,0]=3 3759 B11R1.72 COc1c(ccc(c1C)Cl)Br 34a_200010391122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.72 COc1c(ccc(c1C)Cl)Br 7a_200010391122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.72 COc1c(ccc(c1C)F)Br 34a_200010391124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.72 COc1c(ccc(c1C)F)Br 7a_200010391124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.72 COc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.72 COc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3765 B11R1.72 COc1c(ccc(c1Cl)C)Cl 34a_200000087117_200000210301 [1,1,0,0,0,0|1,0,0]=3 3766 B11R1.72 COc1c(ccc(c1Cl)C)Cl 7a_200000087117_200000210301 [1,1,0,0,0,0|1,0,0]=3 3767 B11R1.72 COc1c(ccc(c1Cl)C)F 34a_100000035349_200000210301 [1,1,0,0,0,0|1,0,0]=3 3768 B11R1.72 COc1c(ccc(c1Cl)C)F 7a_100000035349_200000210301 [1,1,0,0,0,0|1,0,0]=3 3769 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.72 COc1c(ccc(c1Cl)Cl)F 34a_100000062035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.72 COc1c(ccc(c1Cl)Cl)F 7a_100000062035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.72 COc1c(ccc(c1Cl)F)Br 34a_100014979575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.72 COc1c(ccc(c1Cl)F)Br 7a_100014979575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3775 B11R1.72 COc1c(ccc(c1Cl)F)F 34a_100000038336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3776 B11R1.72 COc1c(ccc(c1Cl)F)F 7a_100000038336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3777 B11R1.72 COc1c(ccc(c1Cl)N)C 34a_100000036876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3778 B11R1.72 COc1c(ccc(c1Cl)N)C 7a_100000036876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3779 B11R1.72 COc1c(ccc(c1F)Br)Cl 34a_100010240321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.72 COc1c(ccc(c1F)Br)Cl 7a_100010240321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3781 B11R1.72 COc1c(ccc(c1F)Br)F 34a_100010167067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3782 B11R1.72 COc1c(ccc(c1F)Br)F 7a_100010167067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3783 B11R1.72 COc1c(ccc(c1F)C)Br 34a_100000722096_200000210301 [1,1,0,0,0,0|1,0,0]=3 3784 B11R1.72 COc1c(ccc(c1F)C)Br 7a_100000722096_200000210301 [1,1,0,0,0,0|1,0,0]=3 3785 B11R1.72 COc1c(ccc(c1F)C)Cl 34a_200000034537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3786 B11R1.72 COc1c(ccc(c1F)C)Cl 7a_200000034537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3787 B11R1.72 COc1c(ccc(c1F)C)F 34a_100011216644_200000210301 [1,1,0,0,0,0|1,0,0]=3 3788 B11R1.72 COc1c(ccc(c1F)C)F 7a_100011216644_200000210301 [1,1,0,0,0,0|1,0,0]=3 3789 B11R1.72 COc1c(ccc(c1F)C)O 271570a_203496583355_100010081143 [1,1,0,0,0,0|0,0,0]=2 3790 B11R1.72 COc1c(ccc(c1F)Cl)Br 34a_100010081130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3791 B11R1.72 COc1c(ccc(c1F)Cl)Br 7a_100010081130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3792 B11R1.72 COc1c(ccc(c1F)Cl)F 34a_100000034634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.72 COc1c(ccc(c1F)Cl)F 7a_100000034634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3794 B11R1.72 COc1c(ccc(c1F)F)Br 34a_100010243909_200000210301 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.72 COc1c(ccc(c1F)F)Br 7a_100010243909_200000210301 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.72 COc1c(ccc(c1F)F)F 34a_100000031686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3797 B11R1.72 COc1c(ccc(c1F)F)F 7a_100000031686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3798 B11R1.72 COc1c(ccc(c1F)F)N 34a_100015205010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3799 B11R1.72 COc1c(ccc(c1F)F)N 7a_100015205010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3800 B11R1.72 COc1c(ccc(c1F)F)O 271570a_203496583355_100010223324 [1,1,0,0,0,0|1,0,0]=3 3801 B11R1.72 COc1c(ccc(c1F)I)Br 34a_200010782288_200000210301 [1,1,0,0,0,0|2,0,0]=4 3802 B11R1.72 COc1c(ccc(c1F)I)Br 7a_200010782288_200000210301 [1,1,0,0,0,0|2,0,0]=4 3803 B11R1.72 COc1c(ccc(c1F)O)Cl 271570a_203496583355_200135222481 [1,1,0,0,0,0|1,0,0]=3 3804 B11R1.72 COc1c(ccc(c1F)O)N 271570a_203496583355_100010734149 [1,1,0,0,0,0|1,0,0]=3 3805 B11R1.72 COc1c(ccc(c1O)F)Br 271570a_203496583355_200034458476 [1,1,0,0,0,0|2,0,0]=4 3806 B11R1.72 COc1c(ccc(c1O)F)F 271570a_203496583355_100010254772 [1,1,0,0,0,0|2,0,0]=4 3807 B11R1.72 COc1c(ccc(c1O)F)N 271570a_203496583355_102516457224 [1,1,0,0,0,0|2,0,0]=4 3808 B11R1.72 COc1c(ccc(c1O)F)O 271570a_203496583355_200010167157 [1,1,0,0,0,0|1,0,0]=3 3809 B11R1.72 COc1c(n(ccc1=O)C)C 34a_100000032683_200000210301 [1,1,0,0,0,0|1,0,1]=4 3810 B11R1.72 COc1c(n(ccc1=O)C)C 7a_100000032683_200000210301 [1,1,0,0,0,0|1,0,1]=4 3811 B11R1.72 CSc1c(ccc(c1C)O)C 62a_100010659238_200000210301 [1,1,0,0,0,0|1,1,0]=4 3812 B11R1.72 CSc1c(ccc(c1C)O)C 62a_200000210301_100010659238 [1,1,0,0,0,0|1,1,0]=4 3813 B11R1.72 CSc1c(ccc(c1F)C)O 271570a_203496583355_200134762213 [1,1,0,0,0,0|0,1,0]=3 3814 B11R1.72 CSc1c(ccc(c1F)O)F 271570a_203496583355_202125771753 [1,1,0,0,0,0|1,1,0]=4 3815 B11R1.72 Cc1c(c(=O)ccn1C)O[13CH3] 34a_100000032683_200025704644 [1,1,0,0,0,0|1,0,1]=4 3816 B11R1.72 Cc1c(c(=O)ccn1C)O[13CH3] 7a_100000032683_200025704644 [1,1,0,0,0,0|1,0,1]=4 3817 B11R1.72 Cc1c(ccc(c1N[13CH3])O)Br 34a_100013039247_200025704644 [1,1,0,0,0,0|2,0,0]=4 3818 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)Cl 34a_200010391122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3819 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)Cl 7a_200010391122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)F 34a_200010391124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)F 7a_200010391124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 34a_200010223207_200025704644 [1,1,0,0,0,0|1,0,0]=3 3823 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 7a_200010223207_200025704644 [1,1,0,0,0,0|1,0,0]=3 3824 B11R1.72 Cc1ccc(c(c1C)N[13CH3])C 2230a_100000117417_200025704644 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.72 Cc1ccc(c(c1C)N[13CH3])C 34a_100000117417_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.72 Cc1ccc(c(c1C)N[13CH3])C 7a_100000117417_200025704644 [1,1,0,0,0,0|2,0,0]=4 3827 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 34a_100000211305_200025704644 [1,1,0,0,0,0|1,0,0]=3 3828 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 7a_100000211305_200025704644 [1,1,0,0,0,0|1,0,0]=3 3829 B11R1.72 Cc1ccc(c(c1Cl)N[13CH3])Cl 34a_100000210993_200025704644 [1,1,0,0,0,0|2,0,0]=4 3830 B11R1.72 Cc1ccc(c(c1Cl)N[13CH3])F 34a_106744479701_200025704644 [1,1,0,0,0,0|2,0,0]=4 3831 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 34a_200000087117_200025704644 [1,1,0,0,0,0|1,0,0]=3 3832 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 7a_200000087117_200025704644 [1,1,0,0,0,0|1,0,0]=3 3833 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 34a_100000035349_200025704644 [1,1,0,0,0,0|1,0,0]=3 3834 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 7a_100000035349_200025704644 [1,1,0,0,0,0|1,0,0]=3 3835 B11R1.72 Cc1ccc(c(c1F)C#N)O 271570a_203496583355_100000062008 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.72 Cc1ccc(c(c1F)N[13CH3])Cl 34a_100000062009_200025704644 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.72 Cc1ccc(c(c1F)N[13CH3])F 2230a_102495364760_200025704644 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.72 Cc1ccc(c(c1F)N[13CH3])F 34a_102495364760_200025704644 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 34a_100000722096_200025704644 [1,1,0,0,0,0|1,0,0]=3 3841 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 7a_100000722096_200025704644 [1,1,0,0,0,0|1,0,0]=3 3842 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 34a_200000034537_200025704644 [1,1,0,0,0,0|1,0,0]=3 3843 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 7a_200000034537_200025704644 [1,1,0,0,0,0|1,0,0]=3 3844 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 34a_100011216644_200025704644 [1,1,0,0,0,0|1,0,0]=3 3845 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 7a_100011216644_200025704644 [1,1,0,0,0,0|1,0,0]=3 3846 B11R1.72 Cc1ccc(c(c1O[13CH3])Cl)N 34a_100000036876_200025704644 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.72 Cc1ccc(c(c1O[13CH3])Cl)N 7a_100000036876_200025704644 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.72 Cc1ccc(c(c1S[13CH3])C)O 62a_100010659238_200025704644 [1,1,0,0,0,0|1,1,0]=4 3849 B11R1.72 Cc1ccc(c(c1S[13CH3])C)O 62a_200025704644_100010659238 [1,1,0,0,0,0|1,1,0]=4 3850 B11R1.72 O=Cc1c(ccc(c1O)O)O 271570a_203496583355_100010184888 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.72 [13CH3]Nc1c(ccc(c1Cl)O)Cl 34a_100016988457_200025704644 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.72 [13CH3]Nc1c(ccc(c1Cl)O)Cl 7a_100016988457_200025704644 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)F 34a_100010170822_200025704644 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)F 7a_100010170822_200025704644 [1,1,0,0,0,0|2,0,0]=4 3855 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)N 34a_100010128263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)N 7a_100010128263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3860 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)F 34a_100000062035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)F 7a_100000062035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3863 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)Br 34a_100014979575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)Br 7a_100014979575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)F 34a_100000038336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)F 7a_100000038336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3867 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)Cl 34a_100010240321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3868 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)Cl 7a_100010240321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)F 34a_100010167067_200025704644 [1,1,0,0,0,0|2,0,0]=4 3870 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)F 7a_100010167067_200025704644 [1,1,0,0,0,0|2,0,0]=4 3871 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)Br 34a_100010081130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3872 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)Br 7a_100010081130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3873 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)F 34a_100000034634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3874 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)F 7a_100000034634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3875 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)Br 34a_100010243909_200025704644 [1,1,0,0,0,0|2,0,0]=4 3876 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)Br 7a_100010243909_200025704644 [1,1,0,0,0,0|2,0,0]=4 3877 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)F 34a_100000031686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3878 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)F 7a_100000031686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3879 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)N 34a_100015205010_200025704644 [1,1,0,0,0,0|2,0,0]=4 3880 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)N 7a_100015205010_200025704644 [1,1,0,0,0,0|2,0,0]=4 3881 B11R1.72 [13CH3]Oc1c(ccc(c1F)I)Br 34a_200010782288_200025704644 [1,1,0,0,0,0|2,0,0]=4 3882 B11R1.72 [13CH3]Oc1c(ccc(c1F)I)Br 7a_200010782288_200025704644 [1,1,0,0,0,0|2,0,0]=4 3883 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [1,1,0,0,0,0|2,0,0]=4 3886 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [1,1,0,0,0,0|2,0,0]=4 3887 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [1,1,0,0,0,0|2,0,0]=4 3888 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [1,1,0,0,0,0|2,0,0]=4 3889 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [1,1,0,0,0,0|2,0,0]=4 3892 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|1,0,0]=3 3895 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [1,1,0,0,0,0|2,0,0]=4 3896 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|1,0,0]=3 3899 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [1,1,0,0,0,0|2,0,0]=4 3900 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3906 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|2,0,0]=4 3907 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [1,1,0,0,0,0|2,0,0]=4 3908 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [1,1,0,0,0,0|2,0,0]=4 3911 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|2,0,0]=4 3912 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|2,0,0]=4 3915 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,0]=3 3919 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,0]=3 3920 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|2,0,0]=4 3921 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3922 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,0]=3 3926 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,0]=3 3927 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [1,1,0,0,0,0|2,0,0]=4 3928 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [1,1,0,0,0,0|2,0,0]=4 3929 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [1,1,0,0,0,0|2,0,0]=4 3930 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [1,1,0,0,0,0|1,0,0]=3 3931 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [1,1,0,0,0,0|2,0,0]=4 3932 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [1,1,0,0,0,0|2,0,0]=4 3933 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [1,1,0,0,0,0|2,0,0]=4 3934 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [1,1,0,0,0,0|1,0,0]=3 3935 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [1,1,0,0,0,0|2,0,0]=4 3936 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [1,1,0,0,0,0|2,0,0]=4 3937 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [1,1,0,0,0,0|2,0,0]=4 3938 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [1,1,0,0,0,0|2,0,0]=4 3939 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3940 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [1,1,0,0,0,0|2,0,0]=4 3941 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [1,1,0,0,0,0|2,0,0]=4 3942 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [1,1,0,0,0,0|2,0,0]=4 3943 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,0]=3 3944 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3945 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|2,0,0]=4 3946 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [1,1,0,0,0,0|2,0,0]=4 3947 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|2,0,0]=4 3948 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|2,0,0]=4 3951 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|2,0,0]=4 3953 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3954 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3955 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,0]=3 3956 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,1,0,0,0,0|1,0,1]=4 3957 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,1,0,0,0,0|1,0,1]=4 3958 B11R1.182 CC=Cc1cc(ccc1Br)C 271570a_100016259895_100012353751 [1,1,0,0,0,0|2,0,0]=4 3959 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [1,1,0,0,0,0|2,0,0]=4 3960 B11R1.182 CC=Cc1cc(ccc1C)C 271570a_100016259895_100000210833 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.182 CC=Cc1cc(ccc1Cl)C 271570a_100016259895_100012356289 [1,1,0,0,0,0|2,0,0]=4 3963 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,1,0,0,0,0|2,0,0]=4 3964 B11R1.182 CC=Cc1cc(ccc1F)C 271570a_100016259895_100000736223 [1,1,0,0,0,0|2,0,0]=4 3965 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [1,1,0,0,0,0|2,0,0]=4 3966 B11R1.182 CC=Cc1cc(ccc1N)C 271570a_100016259895_100000210942 [1,1,0,0,0,0|2,0,0]=4 3967 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [1,1,0,0,0,0|2,0,0]=4 3968 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,1,0,0,0,0|2,0,0]=4 3969 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|1,0,0]=3 3970 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,1,0,0,0,0|2,0,0]=4 3971 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,1,0,0,0,0|2,0,0]=4 3972 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,1,0,0,0,0|2,0,0]=4 3973 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,1,0,0,0,0|1,0,0]=3 3974 B11R1.182 CC=Cc1cc(cnc1O)C 271570a_100016259895_100000049931 [1,1,0,0,0,0|2,0,0]=4 3975 B11R1.182 CC=Cc1cc(ncc1O)C 271570a_100016259895_100009843476 [1,1,0,0,0,0|2,0,0]=4 3976 B11R1.182 CC=Cc1nc(ccc1O)C 271570a_100016259895_100000702858 [1,1,0,0,0,0|2,0,0]=4 3977 B11R1.182 CCNc1cc(ccc1Br)C 34a_100000745044_100000210202 [1,1,0,0,0,0|2,0,0]=4 3978 B11R1.182 CCNc1cc(ccc1Br)O 34a_100011999798_100000210202 [1,1,0,0,0,0|2,0,0]=4 3979 B11R1.182 CCNc1cc(ccc1C)C 2230a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 3980 B11R1.182 CCNc1cc(ccc1C)C 34a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 3981 B11R1.182 CCNc1cc(ccc1C)C 7a_100000185781_100000210202 [1,1,0,0,0,0|2,0,0]=4 3982 B11R1.182 CCNc1cc(ccc1C)O 34a_100011216113_100000210202 [1,1,0,0,0,0|2,0,0]=4 3983 B11R1.182 CCNc1cc(ccc1Cl)C 34a_100011215360_100000210202 [1,1,0,0,0,0|2,0,0]=4 3984 B11R1.182 CCNc1cc(ccc1Cl)O 34a_100011934297_100000210202 [1,1,0,0,0,0|2,0,0]=4 3985 B11R1.182 CCNc1cc(ccc1F)C 34a_100000211285_100000210202 [1,1,0,0,0,0|2,0,0]=4 3986 B11R1.182 CCNc1cc(ccc1F)O 34a_100012017239_100000210202 [1,1,0,0,0,0|2,0,0]=4 3987 B11R1.182 CCNc1cc(ccc1I)C 34a_100011216686_100000210202 [1,1,0,0,0,0|2,0,0]=4 3988 B11R1.182 CCNc1cc(ccc1N)O 271570a_203496583355_100000696630 [1,1,0,0,0,0|2,0,0]=4 3989 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3990 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|1,0,0]=3 3991 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3992 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3993 B11R1.182 CCOc1cc(ccc1Br)Br 34a_100011220040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3994 B11R1.182 CCOc1cc(ccc1Br)Br 7a_100011220040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3995 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,1,0,0,0,0|1,0,0]=3 3996 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,1,0,0,0,0|1,0,0]=3 3997 B11R1.182 CCOc1cc(ccc1Br)Cl 34a_100012339455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3998 B11R1.182 CCOc1cc(ccc1Br)Cl 7a_100012339455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3999 B11R1.182 CCOc1cc(ccc1Br)F 34a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 4000 B11R1.182 CCOc1cc(ccc1Br)F 7a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 4001 B11R1.182 CCOc1cc(ccc1Br)I 34a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.182 CCOc1cc(ccc1Br)I 7a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 4004 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,1,0,0,0,0|1,0,0]=3 4006 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,1,0,0,0,0|1,0,0]=3 4007 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 4008 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 4013 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 4014 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,1,0,0,0,0|1,0,0]=3 4015 B11R1.182 CCOc1cc(ccc1Cl)Br 34a_100000738945_100000210202 [1,1,0,0,0,0|2,0,0]=4 4016 B11R1.182 CCOc1cc(ccc1Cl)Br 7a_100000738945_100000210202 [1,1,0,0,0,0|2,0,0]=4 4017 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,1,0,0,0,0|1,0,0]=3 4018 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,1,0,0,0,0|1,0,0]=3 4019 B11R1.182 CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210202 [1,1,0,0,0,0|2,0,0]=4 4020 B11R1.182 CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210202 [1,1,0,0,0,0|2,0,0]=4 4021 B11R1.182 CCOc1cc(ccc1Cl)F 34a_100000692107_100000210202 [1,1,0,0,0,0|2,0,0]=4 4022 B11R1.182 CCOc1cc(ccc1Cl)F 7a_100000692107_100000210202 [1,1,0,0,0,0|2,0,0]=4 4023 B11R1.182 CCOc1cc(ccc1Cl)I 34a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.182 CCOc1cc(ccc1Cl)I 7a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.182 CCOc1cc(ccc1Cl)N 34a_100011934209_100000210202 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.182 CCOc1cc(ccc1F)Br 34a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.182 CCOc1cc(ccc1F)Br 7a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,1,0,0,0,0|1,0,0]=3 4029 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,1,0,0,0,0|1,0,0]=3 4030 B11R1.182 CCOc1cc(ccc1F)Cl 34a_100000757397_100000210202 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.182 CCOc1cc(ccc1F)Cl 7a_100000757397_100000210202 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.182 CCOc1cc(ccc1F)F 34a_100000752141_100000210202 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.182 CCOc1cc(ccc1F)F 7a_100000752141_100000210202 [1,1,0,0,0,0|2,0,0]=4 4034 B11R1.182 CCOc1cc(ccc1F)I 34a_100009958187_100000210202 [1,1,0,0,0,0|2,0,0]=4 4035 B11R1.182 CCOc1cc(ccc1F)I 7a_100009958187_100000210202 [1,1,0,0,0,0|2,0,0]=4 4036 B11R1.182 CCOc1cc(ccc1F)N 34a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 4037 B11R1.182 CCOc1cc(ccc1F)N 7a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 4038 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [1,1,0,0,0,0|1,0,0]=3 4039 B11R1.182 CCOc1cc(ccc1I)Br 34a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 4040 B11R1.182 CCOc1cc(ccc1I)Br 7a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 4041 B11R1.182 CCOc1cc(ccc1I)Cl 34a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 4042 B11R1.182 CCOc1cc(ccc1I)Cl 7a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 4043 B11R1.182 CCOc1cc(ccc1I)F 34a_100010084537_100000210202 [1,1,0,0,0,0|2,0,0]=4 4044 B11R1.182 CCOc1cc(ccc1I)F 7a_100010084537_100000210202 [1,1,0,0,0,0|2,0,0]=4 4045 B11R1.182 CCOc1cc(ccc1N)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 4046 B11R1.182 CCOc1cc(ccc1N)Br 7a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 4047 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,1,0,0,0,0|1,0,0]=3 4048 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,1,0,0,0,0|1,0,0]=3 4049 B11R1.182 CCOc1cc(ccc1N)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 4050 B11R1.182 CCOc1cc(ccc1N)Cl 7a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 4051 B11R1.182 CCOc1cc(ccc1N)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 4052 B11R1.182 CCOc1cc(ccc1N)F 7a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 4053 B11R1.182 CCOc1cc(ccc1N)I 34a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 4054 B11R1.182 CCOc1cc(ccc1N)I 7a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 4055 B11R1.182 CCOc1cc(ccc1N)N 34a_100025717382_100000210202 [1,1,0,0,0,0|2,0,0]=4 4056 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [1,1,0,0,0,0|1,0,0]=3 4057 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|0,0,0]=2 4058 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,1,0,0,0,0|1,0,0]=3 4059 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|1,0,0]=3 4060 B11R1.182 CCOc1cc(cnc1Cl)C 34a_100012000487_100000210202 [1,1,0,0,0,0|2,0,0]=4 4061 B11R1.182 CCOc1cc(cnc1Cl)C 7a_100012000487_100000210202 [1,1,0,0,0,0|2,0,0]=4 4062 B11R1.182 CCOc1cc(cnc1F)C 34a_100009849810_100000210202 [1,1,0,0,0,0|2,0,0]=4 4063 B11R1.182 CCOc1cc(cnc1F)C 7a_100009849810_100000210202 [1,1,0,0,0,0|2,0,0]=4 4064 B11R1.182 CCOc1cc(cnc1F)O 271570a_203496583355_100010732568 [1,1,0,0,0,0|2,0,0]=4 4065 B11R1.182 CCOc1cc(ncc1Br)C 34a_100011016184_100000210202 [1,1,0,0,0,0|2,0,0]=4 4066 B11R1.182 CCOc1cc(ncc1N)O 271570a_203496583355_100015764953 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.182 CCOc1nc(ccc1Br)C 34a_100009817604_100000210202 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.182 CCOc1nc(ccc1N)C 34a_100000687486_100000210202 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.182 CCSc1cc(ccc1Br)C 62a_100000210202_100012353751 [1,1,0,0,0,0|1,1,0]=4 4070 B11R1.182 CCSc1cc(ccc1Br)C 62a_100012353751_100000210202 [1,1,0,0,0,0|1,1,0]=4 4071 B11R1.182 CCSc1cc(ccc1Br)O 62a_100000210202_100012339312 [1,1,0,0,0,0|1,1,0]=4 4072 B11R1.182 CCSc1cc(ccc1Br)O 62a_100012339312_100000210202 [1,1,0,0,0,0|1,1,0]=4 4073 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210202_100000210833 [1,1,0,0,0,0|1,1,0]=4 4074 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210833_100000210202 [1,1,0,0,0,0|1,1,0]=4 4075 B11R1.182 CCSc1cc(ccc1C)O 62a_100000210202_100011380479 [1,1,0,0,0,0|1,1,0]=4 4076 B11R1.182 CCSc1cc(ccc1C)O 62a_100011380479_100000210202 [1,1,0,0,0,0|1,1,0]=4 4077 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100000210202_100012356289 [1,1,0,0,0,0|1,1,0]=4 4078 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100012356289_100000210202 [1,1,0,0,0,0|1,1,0]=4 4079 B11R1.182 CCSc1cc(ccc1Cl)O 62a_100000049588_100000210202 [1,1,0,0,0,0|1,1,0]=4 4080 B11R1.182 CCSc1cc(ccc1Cl)O 62a_100000210202_100000049588 [1,1,0,0,0,0|1,1,0]=4 4081 B11R1.182 CCSc1cc(ccc1F)C 62a_100000210202_100000736223 [1,1,0,0,0,0|1,1,0]=4 4082 B11R1.182 CCSc1cc(ccc1F)C 62a_100000736223_100000210202 [1,1,0,0,0,0|1,1,0]=4 4083 B11R1.182 CCSc1cc(ccc1F)O 62a_100000210202_100000693481 [1,1,0,0,0,0|1,1,0]=4 4084 B11R1.182 CCSc1cc(ccc1F)O 62a_100000693481_100000210202 [1,1,0,0,0,0|1,1,0]=4 4085 B11R1.182 CCSc1cc(ccc1N)C 62a_100000210202_100011356834 [1,1,0,0,0,0|1,1,0]=4 4086 B11R1.182 CCSc1cc(ccc1N)C 62a_100011356834_100000210202 [1,1,0,0,0,0|1,1,0]=4 4087 B11R1.182 CCSc1cc(ccc1N)O 62a_100000210202_100012001276 [1,1,0,0,0,0|1,1,0]=4 4088 B11R1.182 CCSc1cc(ccc1N)O 62a_100012001276_100000210202 [1,1,0,0,0,0|1,1,0]=4 4089 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,1,0,0,0,0|1,1,0]=4 4090 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,1,0,0,0,0|1,1,0]=4 4091 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|0,1,0]=3 4092 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|0,1,0]=3 4093 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,1,0,0,0,0|1,1,0]=4 4094 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,1,0,0,0,0|1,1,0]=4 4095 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,1,0,0,0,0|1,1,0]=4 4096 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,1,0,0,0,0|1,1,0]=4 4097 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|1,1,0]=4 4098 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|1,1,0]=4 4099 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,1,0,0,0,0|0,1,0]=3 4100 B11R1.182 CCSc1cc(cnc1O)C 62a_100000210202_100000719714 [1,1,0,0,0,0|1,1,0]=4 4101 B11R1.182 CCSc1cc(cnc1O)C 62a_100000719714_100000210202 [1,1,0,0,0,0|1,1,0]=4 4102 B11R1.182 CCSc1cc(ncc1O)C 62a_100000210202_100009843476 [1,1,0,0,0,0|1,1,0]=4 4103 B11R1.182 CCSc1cc(ncc1O)C 62a_100009843476_100000210202 [1,1,0,0,0,0|1,1,0]=4 4104 B11R1.182 CCSc1nc(ccc1O)C 62a_100000210202_100000702858 [1,1,0,0,0,0|1,1,0]=4 4105 B11R1.182 CCSc1nc(ccc1O)C 62a_100000702858_100000210202 [1,1,0,0,0,0|1,1,0]=4 4106 B11R1.182 CNCc1cc(ccc1Br)C 207a_100102657272_100011551863 [1,1,0,0,0,0|2,0,0]=4 4107 B11R1.182 CNCc1cc(ccc1Br)C 26a_100102657272_100012002257 [1,1,0,0,0,0|2,0,0]=4 4108 B11R1.182 CNCc1cc(ccc1Br)C 270004a_106832991635_100011551863 [1,1,0,0,0,0|2,0,0]=4 4109 B11R1.182 CNCc1cc(ccc1C)C 207a_100102657272_100000211343 [1,1,0,0,0,0|2,0,0]=4 4110 B11R1.182 CNCc1cc(ccc1C)C 2230a_106832991635_100000184699 [1,1,0,0,0,0|2,0,0]=4 4111 B11R1.182 CNCc1cc(ccc1C)C 270004a_106832991635_100000211343 [1,1,0,0,0,0|2,0,0]=4 4112 B11R1.182 CNCc1cc(ccc1C)C 34a_100000174964_200000210301 [1,1,0,0,0,0|2,0,0]=4 4113 B11R1.182 CNCc1cc(ccc1C)C 34a_100102657272_100000184699 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.182 CNCc1cc(ccc1C)C 7a_106832991635_100000184699 [1,1,0,0,0,0|2,0,0]=4 4115 B11R1.182 CNCc1cc(ccc1C)O 271570a_203496583355_106744473289 [1,1,0,0,0,0|2,0,0]=4 4116 B11R1.182 CNCc1cc(ccc1C)O 34a_200009844824_200000210301 [1,1,0,0,0,0|2,0,0]=4 4117 B11R1.182 CNCc1cc(ccc1Cl)C 207a_100102657272_100011551332 [1,1,0,0,0,0|2,0,0]=4 4118 B11R1.182 CNCc1cc(ccc1Cl)C 2230a_100025705715_200000210301 [1,1,0,0,0,0|2,0,0]=4 4119 B11R1.182 CNCc1cc(ccc1Cl)C 2230a_106832991635_100009871730 [1,1,0,0,0,0|2,0,0]=4 4120 B11R1.182 CNCc1cc(ccc1Cl)C 26a_100102657272_100000211493 [1,1,0,0,0,0|2,0,0]=4 4121 B11R1.182 CNCc1cc(ccc1Cl)C 270004a_106832991635_100011551332 [1,1,0,0,0,0|2,0,0]=4 4122 B11R1.182 CNCc1cc(ccc1Cl)C 34a_100025705715_200000210301 [1,1,0,0,0,0|2,0,0]=4 4123 B11R1.182 CNCc1cc(ccc1Cl)C 34a_100102657272_100009871730 [1,1,0,0,0,0|2,0,0]=4 4124 B11R1.182 CNCc1cc(ccc1Cl)C 7a_106832991635_100009871730 [1,1,0,0,0,0|2,0,0]=4 4125 B11R1.182 CNCc1cc(ccc1F)C 207a_100102657272_100000756917 [1,1,0,0,0,0|2,0,0]=4 4126 B11R1.182 CNCc1cc(ccc1F)C 2230a_106832991635_100011260760 [1,1,0,0,0,0|2,0,0]=4 4127 B11R1.182 CNCc1cc(ccc1F)C 270004a_106832991635_100000756917 [1,1,0,0,0,0|2,0,0]=4 4128 B11R1.182 CNCc1cc(ccc1F)C 34a_100102657272_100011260760 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.182 CNCc1cc(ccc1F)C 34a_100102693586_200000210301 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.182 CNCc1cc(ccc1F)C 7a_106832991635_100011260760 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.182 CNCc1cc(ccc1F)O 271570a_203496583355_100000748472 [1,1,0,0,0,0|2,0,0]=4 4132 B11R1.182 CNCc1cc(ccc1I)C 207a_100102657272_100010150105 [1,1,0,0,0,0|2,0,0]=4 4133 B11R1.182 CNCc1cc(ccc1I)C 270004a_106832991635_100010150105 [1,1,0,0,0,0|2,0,0]=4 4134 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 4135 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|2,0,0]=4 4136 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|2,0,0]=4 4137 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|2,0,0]=4 4138 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|1,0,0]=3 4139 B11R1.182 CNCc1nc(ccc1O)C 2230a_106832991635_100020630696 [1,1,0,0,0,0|2,0,0]=4 4140 B11R1.182 CNCc1nc(ccc1O)C 34a_100102657272_100020630696 [1,1,0,0,0,0|2,0,0]=4 4141 B11R1.182 CNCc1nc(ccc1O)C 7a_106832991635_100020630696 [1,1,0,0,0,0|2,0,0]=4 4142 B11R1.182 COCc1cc(ccc1Br)Br 34a_100011266457_200000210301 [1,1,0,0,0,0|2,0,0]=4 4143 B11R1.182 COCc1cc(ccc1Br)Br 34a_100138415774_100011982794 [1,1,0,0,0,0|2,0,0]=4 4144 B11R1.182 COCc1cc(ccc1Br)Br 7a_100011266457_200000210301 [1,1,0,0,0,0|2,0,0]=4 4145 B11R1.182 COCc1cc(ccc1Br)C 34a_100012361352_200000210301 [1,1,0,0,0,0|1,0,0]=3 4146 B11R1.182 COCc1cc(ccc1Br)C 7a_100012361352_200000210301 [1,1,0,0,0,0|1,0,0]=3 4147 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100012355668_200000210301 [1,1,0,0,0,0|2,0,0]=4 4148 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100138415774_100000733903 [1,1,0,0,0,0|2,0,0]=4 4149 B11R1.182 COCc1cc(ccc1Br)Cl 7a_100012355668_200000210301 [1,1,0,0,0,0|2,0,0]=4 4150 B11R1.182 COCc1cc(ccc1Br)F 34a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 4151 B11R1.182 COCc1cc(ccc1Br)F 34a_100138415774_100000736370 [1,1,0,0,0,0|2,0,0]=4 4152 B11R1.182 COCc1cc(ccc1Br)F 7a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 4153 B11R1.182 COCc1cc(ccc1Br)I 34a_100138415774_100012355412 [1,1,0,0,0,0|2,0,0]=4 4154 B11R1.182 COCc1cc(ccc1Br)I 7a_100012359683_200000210301 [1,1,0,0,0,0|2,0,0]=4 4155 B11R1.182 COCc1cc(ccc1Br)N 34a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 4156 B11R1.182 COCc1cc(ccc1Br)O 271570a_203496583355_202125822959 [1,1,0,0,0,0|1,0,0]=3 4157 B11R1.182 COCc1cc(ccc1C)Br 34a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4158 B11R1.182 COCc1cc(ccc1C)Br 7a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 4159 B11R1.182 COCc1cc(ccc1C)C 34a_100138415774_100000184699 [1,1,0,0,0,0|1,0,0]=3 4160 B11R1.182 COCc1cc(ccc1C)C 34a_200011215349_200000210301 [1,1,0,0,0,0|1,0,0]=3 4161 B11R1.182 COCc1cc(ccc1C)C 7a_200011215349_200000210301 [1,1,0,0,0,0|1,0,0]=3 4162 B11R1.182 COCc1cc(ccc1C)Cl 34a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 4163 B11R1.182 COCc1cc(ccc1C)Cl 34a_100138415774_100012186985 [1,1,0,0,0,0|2,0,0]=4 4164 B11R1.182 COCc1cc(ccc1C)Cl 7a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 4165 B11R1.182 COCc1cc(ccc1C)F 34a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.182 COCc1cc(ccc1C)F 34a_100138415774_100000709795 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.182 COCc1cc(ccc1C)F 7a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 4168 B11R1.182 COCc1cc(ccc1C)I 34a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 4169 B11R1.182 COCc1cc(ccc1C)I 7a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 4170 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100011215897_200000210301 [1,1,0,0,0,0|2,0,0]=4 4171 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100138415774_100000763347 [1,1,0,0,0,0|2,0,0]=4 4172 B11R1.182 COCc1cc(ccc1Cl)Br 7a_100011215897_200000210301 [1,1,0,0,0,0|2,0,0]=4 4173 B11R1.182 COCc1cc(ccc1Cl)C 34a_100009878994_200000210301 [1,1,0,0,0,0|1,0,0]=3 4174 B11R1.182 COCc1cc(ccc1Cl)C 34a_100138415774_100009871730 [1,1,0,0,0,0|1,0,0]=3 4175 B11R1.182 COCc1cc(ccc1Cl)C 7a_100009878994_200000210301 [1,1,0,0,0,0|1,0,0]=3 4176 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100000698905_200000210301 [1,1,0,0,0,0|2,0,0]=4 4177 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100138415774_100000756322 [1,1,0,0,0,0|2,0,0]=4 4178 B11R1.182 COCc1cc(ccc1Cl)Cl 7a_100000698905_200000210301 [1,1,0,0,0,0|2,0,0]=4 4179 B11R1.182 COCc1cc(ccc1Cl)F 34a_100011218361_200000210301 [1,1,0,0,0,0|2,0,0]=4 4180 B11R1.182 COCc1cc(ccc1Cl)F 34a_100138415774_100000709952 [1,1,0,0,0,0|2,0,0]=4 4181 B11R1.182 COCc1cc(ccc1Cl)F 7a_100011218361_200000210301 [1,1,0,0,0,0|2,0,0]=4 4182 B11R1.182 COCc1cc(ccc1Cl)I 34a_100010128486_200000210301 [1,1,0,0,0,0|2,0,0]=4 4183 B11R1.182 COCc1cc(ccc1Cl)I 34a_100138415774_100010188191 [1,1,0,0,0,0|2,0,0]=4 4184 B11R1.182 COCc1cc(ccc1Cl)I 7a_100010128486_200000210301 [1,1,0,0,0,0|2,0,0]=4 4185 B11R1.182 COCc1cc(ccc1Cl)N 34a_100011273577_200000210301 [1,1,0,0,0,0|2,0,0]=4 4186 B11R1.182 COCc1cc(ccc1F)Br 34a_100000246282_200000210301 [1,1,0,0,0,0|2,0,0]=4 4187 B11R1.182 COCc1cc(ccc1F)Br 34a_100138415774_100000736399 [1,1,0,0,0,0|2,0,0]=4 4188 B11R1.182 COCc1cc(ccc1F)Br 7a_100000246282_200000210301 [1,1,0,0,0,0|2,0,0]=4 4189 B11R1.182 COCc1cc(ccc1F)C 34a_100011692775_200000210301 [1,1,0,0,0,0|1,0,0]=3 4190 B11R1.182 COCc1cc(ccc1F)C 34a_100138415774_100011260760 [1,1,0,0,0,0|1,0,0]=3 4191 B11R1.182 COCc1cc(ccc1F)C 7a_100011692775_200000210301 [1,1,0,0,0,0|1,0,0]=3 4192 B11R1.182 COCc1cc(ccc1F)Cl 34a_100011217248_200000210301 [1,1,0,0,0,0|2,0,0]=4 4193 B11R1.182 COCc1cc(ccc1F)Cl 34a_100138415774_100000716957 [1,1,0,0,0,0|2,0,0]=4 4194 B11R1.182 COCc1cc(ccc1F)Cl 7a_100011217248_200000210301 [1,1,0,0,0,0|2,0,0]=4 4195 B11R1.182 COCc1cc(ccc1F)F 34a_100011217725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4196 B11R1.182 COCc1cc(ccc1F)F 34a_100138415774_100000741279 [1,1,0,0,0,0|2,0,0]=4 4197 B11R1.182 COCc1cc(ccc1F)F 7a_100011217725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4198 B11R1.182 COCc1cc(ccc1F)I 34a_100000049604_200000210301 [1,1,0,0,0,0|2,0,0]=4 4199 B11R1.182 COCc1cc(ccc1F)I 34a_100138415774_200010149601 [1,1,0,0,0,0|2,0,0]=4 4200 B11R1.182 COCc1cc(ccc1F)I 7a_100000049604_200000210301 [1,1,0,0,0,0|2,0,0]=4 4201 B11R1.182 COCc1cc(ccc1F)N 34a_100011218011_200000210301 [1,1,0,0,0,0|2,0,0]=4 4202 B11R1.182 COCc1cc(ccc1F)O 271570a_203496583355_100010140362 [1,1,0,0,0,0|1,0,0]=3 4203 B11R1.182 COCc1cc(ccc1I)Br 34a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 4204 B11R1.182 COCc1cc(ccc1I)Br 34a_100138415774_100012362523 [1,1,0,0,0,0|2,0,0]=4 4205 B11R1.182 COCc1cc(ccc1I)Br 7a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 4206 B11R1.182 COCc1cc(ccc1I)Cl 34a_100138415774_100012348826 [1,1,0,0,0,0|2,0,0]=4 4207 B11R1.182 COCc1cc(ccc1I)F 34a_100010255287_200000210301 [1,1,0,0,0,0|2,0,0]=4 4208 B11R1.182 COCc1cc(ccc1I)F 34a_100138415774_100010149606 [1,1,0,0,0,0|2,0,0]=4 4209 B11R1.182 COCc1cc(ccc1I)F 7a_100010255287_200000210301 [1,1,0,0,0,0|2,0,0]=4 4210 B11R1.182 COCc1cc(ccc1N)Br 34a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 4211 B11R1.182 COCc1cc(ccc1N)Br 7a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 4212 B11R1.182 COCc1cc(ccc1N)C 34a_100011215565_200000210301 [1,1,0,0,0,0|1,0,0]=3 4213 B11R1.182 COCc1cc(ccc1N)C 7a_100011215565_200000210301 [1,1,0,0,0,0|1,0,0]=3 4214 B11R1.182 COCc1cc(ccc1N)Cl 34a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4215 B11R1.182 COCc1cc(ccc1N)Cl 7a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4216 B11R1.182 COCc1cc(ccc1N)F 34a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 4217 B11R1.182 COCc1cc(ccc1N)F 7a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 4218 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|1,0,0]=3 4219 B11R1.182 COCc1cc(cnc1Cl)C 34a_100000118064_200000210301 [1,1,0,0,0,0|2,0,0]=4 4220 B11R1.182 COCc1cc(cnc1Cl)C 7a_100000118064_200000210301 [1,1,0,0,0,0|2,0,0]=4 4221 B11R1.182 COCc1cc(ncc1Br)C 34a_100015579599_200000210301 [1,1,0,0,0,0|2,0,0]=4 4222 B11R1.182 COCc1nc(ccc1Br)C 34a_100010074375_200000210301 [1,1,0,0,0,0|2,0,0]=4 4223 B11R1.182 COCc1nc(ccc1Cl)C 34a_100138415774_200009852033 [1,1,0,0,0,0|2,0,0]=4 4224 B11R1.182 COCc1nc(ccc1O)C 34a_100138415774_100020630696 [1,1,0,0,0,0|1,0,0]=3 4225 B11R1.182 CSCc1cc(ccc1C)C 62a_100000184699_200000210301 [1,1,0,0,0,0|1,1,0]=4 4226 B11R1.182 CSCc1cc(ccc1C)C 62a_200000210301_100000184699 [1,1,0,0,0,0|1,1,0]=4 4227 B11R1.182 CSCc1cc(ccc1Cl)C 62a_100009871730_200000210301 [1,1,0,0,0,0|1,1,0]=4 4228 B11R1.182 CSCc1cc(ccc1Cl)C 62a_200000210301_100009871730 [1,1,0,0,0,0|1,1,0]=4 4229 B11R1.182 CSCc1cc(ccc1F)C 62a_100011260760_200000210301 [1,1,0,0,0,0|1,1,0]=4 4230 B11R1.182 CSCc1cc(ccc1F)C 62a_200000210301_100011260760 [1,1,0,0,0,0|1,1,0]=4 4231 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,1,0,0,0,0|1,1,0]=4 4232 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,1,0,0,0,0|1,1,0]=4 4233 B11R1.182 CSCc1nc(ccc1O)C 62a_100020630696_200000210301 [1,1,0,0,0,0|1,1,0]=4 4234 B11R1.182 CSCc1nc(ccc1O)C 62a_200000210301_100020630696 [1,1,0,0,0,0|1,1,0]=4 4235 B11R1.182 Cc1cc(c(cn1)Br)CO[13CH3] 34a_100015579599_200025704644 [1,1,0,0,0,0|2,0,0]=4 4236 B11R1.182 Cc1cc(c(cn1)Br)OCF 34a_100011016184_100015361967 [1,1,0,0,0,0|2,0,0]=4 4237 B11R1.182 Cc1cc(c(cn1)O)SCF 62a_100009843476_100015361967 [1,1,0,0,0,0|1,1,0]=4 4238 B11R1.182 Cc1cc(c(cn1)O)SCF 62a_100015361967_100009843476 [1,1,0,0,0,0|1,1,0]=4 4239 B11R1.182 Cc1ccc(c(c1)CC#N)O 271570a_203496583355_100010147026 [1,1,0,0,0,0|1,0,1]=4 4240 B11R1.182 Cc1ccc(c(c1)CN[13CH3])C 34a_100000174964_200025704644 [1,1,0,0,0,0|2,0,0]=4 4241 B11R1.182 Cc1ccc(c(c1)CN[13CH3])Cl 2230a_100025705715_200025704644 [1,1,0,0,0,0|2,0,0]=4 4242 B11R1.182 Cc1ccc(c(c1)CN[13CH3])Cl 34a_100025705715_200025704644 [1,1,0,0,0,0|2,0,0]=4 4243 B11R1.182 Cc1ccc(c(c1)CN[13CH3])F 34a_100102693586_200025704644 [1,1,0,0,0,0|2,0,0]=4 4244 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 34a_100012361352_200025704644 [1,1,0,0,0,0|1,0,0]=3 4245 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 7a_100012361352_200025704644 [1,1,0,0,0,0|1,0,0]=3 4246 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 34a_200011215349_200025704644 [1,1,0,0,0,0|1,0,0]=3 4247 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 7a_200011215349_200025704644 [1,1,0,0,0,0|1,0,0]=3 4248 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 34a_100009878994_200025704644 [1,1,0,0,0,0|1,0,0]=3 4249 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 7a_100009878994_200025704644 [1,1,0,0,0,0|1,0,0]=3 4250 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 34a_100011692775_200025704644 [1,1,0,0,0,0|1,0,0]=3 4251 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 7a_100011692775_200025704644 [1,1,0,0,0,0|1,0,0]=3 4252 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 34a_100011215565_200025704644 [1,1,0,0,0,0|1,0,0]=3 4253 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 7a_100011215565_200025704644 [1,1,0,0,0,0|1,0,0]=3 4254 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_100000184699_200025704644 [1,1,0,0,0,0|1,1,0]=4 4255 B11R1.182 Cc1ccc(c(c1)CS[13CH3])C 62a_200025704644_100000184699 [1,1,0,0,0,0|1,1,0]=4 4256 B11R1.182 Cc1ccc(c(c1)CS[13CH3])Cl 62a_100009871730_200025704644 [1,1,0,0,0,0|1,1,0]=4 4257 B11R1.182 Cc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100009871730 [1,1,0,0,0,0|1,1,0]=4 4258 B11R1.182 Cc1ccc(c(c1)CS[13CH3])F 62a_100011260760_200025704644 [1,1,0,0,0,0|1,1,0]=4 4259 B11R1.182 Cc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100011260760 [1,1,0,0,0,0|1,1,0]=4 4260 B11R1.182 Cc1ccc(c(c1)NCF)Br 34a_100000745044_100015361967 [1,1,0,0,0,0|2,0,0]=4 4261 B11R1.182 Cc1ccc(c(c1)NCF)C 34a_100000185781_100015361967 [1,1,0,0,0,0|2,0,0]=4 4262 B11R1.182 Cc1ccc(c(c1)NCF)C 7a_100000185781_100015361967 [1,1,0,0,0,0|2,0,0]=4 4263 B11R1.182 Cc1ccc(c(c1)NCF)Cl 34a_100011215360_100015361967 [1,1,0,0,0,0|2,0,0]=4 4264 B11R1.182 Cc1ccc(c(c1)NCF)F 34a_100000211285_100015361967 [1,1,0,0,0,0|2,0,0]=4 4265 B11R1.182 Cc1ccc(c(c1)NCF)I 34a_100011216686_100015361967 [1,1,0,0,0,0|2,0,0]=4 4266 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,1,0,0,0,0|1,0,0]=3 4267 B11R1.182 Cc1ccc(c(c1)OCF)Br 34a_100012002257_100015361967 [1,1,0,0,0,0|1,0,0]=3 4268 B11R1.182 Cc1ccc(c(c1)OCF)Br 7a_100012002257_100015361967 [1,1,0,0,0,0|1,0,0]=3 4269 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,1,0,0,0,0|1,0,0]=3 4270 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,1,0,0,0,0|1,0,0]=3 4271 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,1,0,0,0,0|1,0,0]=3 4272 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,1,0,0,0,0|1,0,0]=3 4273 B11R1.182 Cc1ccc(c(c1)OCF)F 34a_100000759540_100015361967 [1,1,0,0,0,0|1,0,0]=3 4274 B11R1.182 Cc1ccc(c(c1)OCF)F 7a_100000759540_100015361967 [1,1,0,0,0,0|1,0,0]=3 4275 B11R1.182 Cc1ccc(c(c1)OCF)N 34a_100000211527_100015361967 [1,1,0,0,0,0|1,0,0]=3 4276 B11R1.182 Cc1ccc(c(c1)OCF)N 7a_100000211527_100015361967 [1,1,0,0,0,0|1,0,0]=3 4277 B11R1.182 Cc1ccc(c(c1)SCF)Br 62a_100012353751_100015361967 [1,1,0,0,0,0|1,1,0]=4 4278 B11R1.182 Cc1ccc(c(c1)SCF)Br 62a_100015361967_100012353751 [1,1,0,0,0,0|1,1,0]=4 4279 B11R1.182 Cc1ccc(c(c1)SCF)C 62a_100000210833_100015361967 [1,1,0,0,0,0|1,1,0]=4 4280 B11R1.182 Cc1ccc(c(c1)SCF)C 62a_100015361967_100000210833 [1,1,0,0,0,0|1,1,0]=4 4281 B11R1.182 Cc1ccc(c(c1)SCF)Cl 62a_100012356289_100015361967 [1,1,0,0,0,0|1,1,0]=4 4282 B11R1.182 Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100012356289 [1,1,0,0,0,0|1,1,0]=4 4283 B11R1.182 Cc1ccc(c(c1)SCF)F 62a_100000736223_100015361967 [1,1,0,0,0,0|1,1,0]=4 4284 B11R1.182 Cc1ccc(c(c1)SCF)F 62a_100015361967_100000736223 [1,1,0,0,0,0|1,1,0]=4 4285 B11R1.182 Cc1ccc(c(c1)SCF)N 62a_100011356834_100015361967 [1,1,0,0,0,0|1,1,0]=4 4286 B11R1.182 Cc1ccc(c(c1)SCF)N 62a_100015361967_100011356834 [1,1,0,0,0,0|1,1,0]=4 4287 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,1,0,0,0,0|0,1,0]=3 4288 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,1,0,0,0,0|0,1,0]=3 4289 B11R1.182 Cc1ccc(c(n1)CO[13CH3])Br 34a_100010074375_200025704644 [1,1,0,0,0,0|2,0,0]=4 4290 B11R1.182 Cc1ccc(c(n1)CS[13CH3])O 62a_100020630696_200025704644 [1,1,0,0,0,0|1,1,0]=4 4291 B11R1.182 Cc1ccc(c(n1)CS[13CH3])O 62a_200025704644_100020630696 [1,1,0,0,0,0|1,1,0]=4 4292 B11R1.182 Cc1ccc(c(n1)OCF)Br 34a_100009817604_100015361967 [1,1,0,0,0,0|2,0,0]=4 4293 B11R1.182 Cc1ccc(c(n1)OCF)N 34a_100000687486_100015361967 [1,1,0,0,0,0|2,0,0]=4 4294 B11R1.182 Cc1ccc(c(n1)SCF)O 62a_100000702858_100015361967 [1,1,0,0,0,0|1,1,0]=4 4295 B11R1.182 Cc1ccc(c(n1)SCF)O 62a_100015361967_100000702858 [1,1,0,0,0,0|1,1,0]=4 4296 B11R1.182 Cc1ccc(cc1CN[13CH3])O 34a_200009844824_200025704644 [1,1,0,0,0,0|2,0,0]=4 4297 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 34a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4298 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 7a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 4299 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 34a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 7a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 4301 B11R1.182 Cc1ccc(cc1CO[13CH3])F 34a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 4302 B11R1.182 Cc1ccc(cc1CO[13CH3])F 7a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B11R1.182 Cc1ccc(cc1CO[13CH3])I 34a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 4304 B11R1.182 Cc1ccc(cc1CO[13CH3])I 7a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 4305 B11R1.182 Cc1ccc(cc1NCF)O 34a_100011216113_100015361967 [1,1,0,0,0,0|2,0,0]=4 4306 B11R1.182 Cc1ccc(cc1OCF)Br 34a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 4307 B11R1.182 Cc1ccc(cc1OCF)Br 7a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 4308 B11R1.182 Cc1ccc(cc1OCF)Cl 34a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4309 B11R1.182 Cc1ccc(cc1OCF)Cl 7a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 4310 B11R1.182 Cc1ccc(cc1OCF)F 34a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4311 B11R1.182 Cc1ccc(cc1OCF)F 7a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 4312 B11R1.182 Cc1ccc(cc1OCF)I 7a_100000766334_100015361967 [1,1,0,0,0,0|2,0,0]=4 4313 B11R1.182 Cc1ccc(cc1OCF)N 34a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 4314 B11R1.182 Cc1ccc(cc1OCF)N 7a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 4315 B11R1.182 Cc1ccc(cc1SCF)O 62a_100011380479_100015361967 [1,1,0,0,0,0|1,1,0]=4 4316 B11R1.182 Cc1ccc(cc1SCF)O 62a_100015361967_100011380479 [1,1,0,0,0,0|1,1,0]=4 4317 B11R1.182 Cc1cnc(c(c1)CO[13CH3])Cl 34a_100000118064_200025704644 [1,1,0,0,0,0|2,0,0]=4 4318 B11R1.182 Cc1cnc(c(c1)CO[13CH3])Cl 7a_100000118064_200025704644 [1,1,0,0,0,0|2,0,0]=4 4319 B11R1.182 Cc1cnc(c(c1)OCF)Cl 34a_100012000487_100015361967 [1,1,0,0,0,0|2,0,0]=4 4320 B11R1.182 Cc1cnc(c(c1)OCF)Cl 7a_100012000487_100015361967 [1,1,0,0,0,0|2,0,0]=4 4321 B11R1.182 Cc1cnc(c(c1)OCF)F 34a_100009849810_100015361967 [1,1,0,0,0,0|2,0,0]=4 4322 B11R1.182 Cc1cnc(c(c1)OCF)F 7a_100009849810_100015361967 [1,1,0,0,0,0|2,0,0]=4 4323 B11R1.182 Cc1cnc(c(c1)SCF)O 62a_100000719714_100015361967 [1,1,0,0,0,0|1,1,0]=4 4324 B11R1.182 Cc1cnc(c(c1)SCF)O 62a_100015361967_100000719714 [1,1,0,0,0,0|1,1,0]=4 4325 B11R1.182 FCOc1cc(ccc1Br)Br 34a_100011220040_100015361967 [1,1,0,0,0,0|2,0,0]=4 4326 B11R1.182 FCOc1cc(ccc1Br)Br 7a_100011220040_100015361967 [1,1,0,0,0,0|2,0,0]=4 4327 B11R1.182 FCOc1cc(ccc1Br)Cl 34a_100012339455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4328 B11R1.182 FCOc1cc(ccc1Br)Cl 7a_100012339455_100015361967 [1,1,0,0,0,0|2,0,0]=4 4329 B11R1.182 FCOc1cc(ccc1Br)F 34a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 4330 B11R1.182 FCOc1cc(ccc1Br)F 7a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 4331 B11R1.182 FCOc1cc(ccc1Br)I 34a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 4332 B11R1.182 FCOc1cc(ccc1Br)I 7a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 4333 B11R1.182 FCOc1cc(ccc1Cl)Br 34a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 4334 B11R1.182 FCOc1cc(ccc1Cl)Br 7a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 4335 B11R1.182 FCOc1cc(ccc1Cl)Cl 34a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 4336 B11R1.182 FCOc1cc(ccc1Cl)Cl 7a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 4337 B11R1.182 FCOc1cc(ccc1Cl)F 34a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4338 B11R1.182 FCOc1cc(ccc1Cl)F 7a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 4339 B11R1.182 FCOc1cc(ccc1Cl)I 34a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 4340 B11R1.182 FCOc1cc(ccc1Cl)I 7a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 4341 B11R1.182 FCOc1cc(ccc1F)Br 34a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 4342 B11R1.182 FCOc1cc(ccc1F)Br 7a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 4343 B11R1.182 FCOc1cc(ccc1F)Cl 34a_100000757397_100015361967 [1,1,0,0,0,0|2,0,0]=4 4344 B11R1.182 FCOc1cc(ccc1F)Cl 7a_100000757397_100015361967 [1,1,0,0,0,0|2,0,0]=4 4345 B11R1.182 FCOc1cc(ccc1F)F 34a_100000752141_100015361967 [1,1,0,0,0,0|2,0,0]=4 4346 B11R1.182 FCOc1cc(ccc1F)F 7a_100000752141_100015361967 [1,1,0,0,0,0|2,0,0]=4 4347 B11R1.182 FCOc1cc(ccc1F)I 34a_100009958187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4348 B11R1.182 FCOc1cc(ccc1F)I 7a_100009958187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4349 B11R1.182 FCOc1cc(ccc1I)Br 34a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 4350 B11R1.182 FCOc1cc(ccc1I)Br 7a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 4351 B11R1.182 FCOc1cc(ccc1I)Cl 34a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 4352 B11R1.182 FCOc1cc(ccc1I)Cl 7a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 4353 B11R1.182 FCOc1cc(ccc1I)F 34a_100010084537_100015361967 [1,1,0,0,0,0|2,0,0]=4 4354 B11R1.182 FCOc1cc(ccc1I)F 7a_100010084537_100015361967 [1,1,0,0,0,0|2,0,0]=4 4355 B11R1.182 Nc1ccc(c(c1)OCF)Cl 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 4356 B11R1.182 Nc1ccc(c(c1)OCF)F 34a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 4357 B11R1.182 Nc1ccc(c(c1)OCF)F 7a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 4358 B11R1.182 Nc1ccc(c(c1)OCF)N 34a_100025717382_100015361967 [1,1,0,0,0,0|2,0,0]=4 4359 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100011534360_100015361967 [1,1,0,0,0,0|1,1,0]=4 4360 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100015361967_100011534360 [1,1,0,0,0,0|1,1,0]=4 4361 B11R1.182 Nc1ccc(cc1OCF)Br 34a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 4362 B11R1.182 Nc1ccc(cc1OCF)Br 7a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 4363 B11R1.182 Nc1ccc(cc1OCF)Cl 34a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 4364 B11R1.182 Nc1ccc(cc1OCF)Cl 7a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 4365 B11R1.182 Nc1ccc(cc1OCF)F 34a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 4366 B11R1.182 Nc1ccc(cc1OCF)F 7a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 4367 B11R1.182 Nc1ccc(cc1OCF)I 34a_100000057187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4368 B11R1.182 Nc1ccc(cc1OCF)I 7a_100000057187_100015361967 [1,1,0,0,0,0|2,0,0]=4 4369 B11R1.182 Nc1ccc(cc1SCF)O 62a_100012001276_100015361967 [1,1,0,0,0,0|1,1,0]=4 4370 B11R1.182 Nc1ccc(cc1SCF)O 62a_100015361967_100012001276 [1,1,0,0,0,0|1,1,0]=4 4371 B11R1.182 Oc1ccc(c(c1)NCF)Br 34a_100011999798_100015361967 [1,1,0,0,0,0|2,0,0]=4 4372 B11R1.182 Oc1ccc(c(c1)NCF)Cl 34a_100011934297_100015361967 [1,1,0,0,0,0|2,0,0]=4 4373 B11R1.182 Oc1ccc(c(c1)NCF)F 34a_100012017239_100015361967 [1,1,0,0,0,0|2,0,0]=4 4374 B11R1.182 Oc1ccc(c(c1)SCF)Br 62a_100012339312_100015361967 [1,1,0,0,0,0|1,1,0]=4 4375 B11R1.182 Oc1ccc(c(c1)SCF)Br 62a_100015361967_100012339312 [1,1,0,0,0,0|1,1,0]=4 4376 B11R1.182 Oc1ccc(c(c1)SCF)Cl 62a_100000049588_100015361967 [1,1,0,0,0,0|1,1,0]=4 4377 B11R1.182 Oc1ccc(c(c1)SCF)Cl 62a_100015361967_100000049588 [1,1,0,0,0,0|1,1,0]=4 4378 B11R1.182 Oc1ccc(c(c1)SCF)F 62a_100000693481_100015361967 [1,1,0,0,0,0|1,1,0]=4 4379 B11R1.182 Oc1ccc(c(c1)SCF)F 62a_100015361967_100000693481 [1,1,0,0,0,0|1,1,0]=4 4380 B11R1.182 Oc1ccc(c(c1)SCF)O 62a_100015361967_100009813629 [1,1,0,0,0,0|0,1,0]=3 4381 B11R1.182 Oc1ccc(cc1NCF)Br 34a_100000752626_100015361967 [1,1,0,0,0,0|2,0,0]=4 4382 B11R1.182 Oc1ccc(cc1NCF)Cl 34a_100000210500_100015361967 [1,1,0,0,0,0|2,0,0]=4 4383 B11R1.182 Oc1ccc(cc1NCF)F 34a_100000759472_100015361967 [1,1,0,0,0,0|2,0,0]=4 4384 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100012355227_100015361967 [1,1,0,0,0,0|1,1,0]=4 4385 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100015361967_100012355227 [1,1,0,0,0,0|1,1,0]=4 4386 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100011356953_100015361967 [1,1,0,0,0,0|1,1,0]=4 4387 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100015361967_100011356953 [1,1,0,0,0,0|1,1,0]=4 4388 B11R1.182 Oc1ccc(cc1SCF)F 62a_100000211999_100015361967 [1,1,0,0,0,0|1,1,0]=4 4389 B11R1.182 Oc1ccc(cc1SCF)F 62a_100015361967_100000211999 [1,1,0,0,0,0|1,1,0]=4 4390 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 4391 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|2,0,0]=4 4392 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 34a_100011266457_200025704644 [1,1,0,0,0,0|2,0,0]=4 4393 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 7a_100011266457_200025704644 [1,1,0,0,0,0|2,0,0]=4 4394 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 34a_100012355668_200025704644 [1,1,0,0,0,0|2,0,0]=4 4395 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 7a_100012355668_200025704644 [1,1,0,0,0,0|2,0,0]=4 4396 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 34a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 4397 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 7a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 4398 B11R1.182 [13CH3]OCc1cc(ccc1Br)I 7a_100012359683_200025704644 [1,1,0,0,0,0|2,0,0]=4 4399 B11R1.182 [13CH3]OCc1cc(ccc1Br)N 34a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 4400 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 34a_100011215897_200025704644 [1,1,0,0,0,0|2,0,0]=4 4401 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 7a_100011215897_200025704644 [1,1,0,0,0,0|2,0,0]=4 4402 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 34a_100000698905_200025704644 [1,1,0,0,0,0|2,0,0]=4 4403 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 7a_100000698905_200025704644 [1,1,0,0,0,0|2,0,0]=4 4404 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 34a_100011218361_200025704644 [1,1,0,0,0,0|2,0,0]=4 4405 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 7a_100011218361_200025704644 [1,1,0,0,0,0|2,0,0]=4 4406 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 34a_100010128486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4407 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 7a_100010128486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4408 B11R1.182 [13CH3]OCc1cc(ccc1Cl)N 34a_100011273577_200025704644 [1,1,0,0,0,0|2,0,0]=4 4409 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 34a_100000246282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4410 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 7a_100000246282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4411 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 34a_100011217248_200025704644 [1,1,0,0,0,0|2,0,0]=4 4412 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 7a_100011217248_200025704644 [1,1,0,0,0,0|2,0,0]=4 4413 B11R1.182 [13CH3]OCc1cc(ccc1F)F 34a_100011217725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4414 B11R1.182 [13CH3]OCc1cc(ccc1F)F 7a_100011217725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4415 B11R1.182 [13CH3]OCc1cc(ccc1F)I 34a_100000049604_200025704644 [1,1,0,0,0,0|2,0,0]=4 4416 B11R1.182 [13CH3]OCc1cc(ccc1F)I 7a_100000049604_200025704644 [1,1,0,0,0,0|2,0,0]=4 4417 B11R1.182 [13CH3]OCc1cc(ccc1F)N 34a_100011218011_200025704644 [1,1,0,0,0,0|2,0,0]=4 4418 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 34a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4419 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 7a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4420 B11R1.182 [13CH3]OCc1cc(ccc1I)F 34a_100010255287_200025704644 [1,1,0,0,0,0|2,0,0]=4 4421 B11R1.182 [13CH3]OCc1cc(ccc1I)F 7a_100010255287_200025704644 [1,1,0,0,0,0|2,0,0]=4 4422 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 34a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 4423 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 7a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 4424 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 34a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4425 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 7a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4426 B11R1.182 [13CH3]OCc1cc(ccc1N)F 34a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 4427 B11R1.182 [13CH3]OCc1cc(ccc1N)F 7a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 4428 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,1,0,0,0,0|1,1,0]=4 4429 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,1,0,0,0,0|1,1,0]=4 4430 B11R1.277 C=Cc1cc(c(cc1O)C)C 271570a_100011290941_100009814663 [1,1,0,0,0,0|1,0,1]=4 4431 B11R1.277 CCc1cc(c(cc1O)F)O 271570a_203496583355_100011156610 [1,1,0,0,0,0|1,0,0]=3 4432 B11R1.277 CNc1cc(c(cc1Br)Br)C 34a_100009995518_200000210301 [1,1,0,0,0,0|2,0,0]=4 4433 B11R1.277 CNc1cc(c(cc1Br)Br)C 7a_100009995518_200000210301 [1,1,0,0,0,0|2,0,0]=4 4434 B11R1.277 CNc1cc(c(cc1Br)C)C 34a_100012337760_200000210301 [1,1,0,0,0,0|2,0,0]=4 4435 B11R1.277 CNc1cc(c(cc1Br)C)C 7a_100012337760_200000210301 [1,1,0,0,0,0|2,0,0]=4 4436 B11R1.277 CNc1cc(c(cc1Br)F)C 34a_100010233353_200000210301 [1,1,0,0,0,0|2,0,0]=4 4437 B11R1.277 CNc1cc(c(cc1Br)F)C 7a_100010233353_200000210301 [1,1,0,0,0,0|2,0,0]=4 4438 B11R1.277 CNc1cc(c(cc1C)Br)C 2230a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 4439 B11R1.277 CNc1cc(c(cc1C)Br)C 34a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 4440 B11R1.277 CNc1cc(c(cc1C)Br)C 7a_100011934712_200000210301 [1,1,0,0,0,0|2,0,0]=4 4441 B11R1.277 CNc1cc(c(cc1C)C)C 2230a_100011217141_200000210301 [1,1,0,0,0,0|2,0,0]=4 4442 B11R1.277 CNc1cc(c(cc1C)C)C 34a_100011217141_200000210301 [1,1,0,0,0,0|2,0,0]=4 4443 B11R1.277 CNc1cc(c(cc1C)C)C 7a_100011217141_200000210301 [1,1,0,0,0,0|2,0,0]=4 4444 B11R1.277 CNc1cc(c(cc1C)Cl)C 2230a_100011830454_200000210301 [1,1,0,0,0,0|2,0,0]=4 4445 B11R1.277 CNc1cc(c(cc1C)Cl)C 34a_100011830454_200000210301 [1,1,0,0,0,0|2,0,0]=4 4446 B11R1.277 CNc1cc(c(cc1C)Cl)C 7a_100011830454_200000210301 [1,1,0,0,0,0|2,0,0]=4 4447 B11R1.277 CNc1cc(c(cc1C)Cl)O 34a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4448 B11R1.277 CNc1cc(c(cc1C)Cl)O 7a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4449 B11R1.277 CNc1cc(c(cc1C)O)C 34a_100000720036_200000210301 [1,1,0,0,0,0|2,0,0]=4 4450 B11R1.277 CNc1cc(c(cc1C)O)C 7a_100000720036_200000210301 [1,1,0,0,0,0|2,0,0]=4 4451 B11R1.277 CNc1cc(c(cc1Cl)C)C 34a_100012183282_200000210301 [1,1,0,0,0,0|2,0,0]=4 4452 B11R1.277 CNc1cc(c(cc1Cl)C)C 7a_100012183282_200000210301 [1,1,0,0,0,0|2,0,0]=4 4453 B11R1.277 CNc1cc(c(cc1Cl)C)O 34a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4454 B11R1.277 CNc1cc(c(cc1Cl)C)O 7a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4455 B11R1.277 CNc1cc(c(cc1Cl)Cl)C 34a_100012000392_200000210301 [1,1,0,0,0,0|2,0,0]=4 4456 B11R1.277 CNc1cc(c(cc1Cl)Cl)C 7a_100012000392_200000210301 [1,1,0,0,0,0|2,0,0]=4 4457 B11R1.277 CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4458 B11R1.277 CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4459 B11R1.277 CNc1cc(c(cc1Cl)F)C 34a_100000729549_200000210301 [1,1,0,0,0,0|2,0,0]=4 4460 B11R1.277 CNc1cc(c(cc1Cl)F)C 7a_100000729549_200000210301 [1,1,0,0,0,0|2,0,0]=4 4461 B11R1.277 CNc1cc(c(cc1F)Br)C 2230a_100000691575_200000210301 [1,1,0,0,0,0|2,0,0]=4 4462 B11R1.277 CNc1cc(c(cc1F)Br)C 34a_100000691575_200000210301 [1,1,0,0,0,0|2,0,0]=4 4463 B11R1.277 CNc1cc(c(cc1F)Br)C 7a_100000691575_200000210301 [1,1,0,0,0,0|2,0,0]=4 4464 B11R1.277 CNc1cc(c(cc1F)C)O 34a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4465 B11R1.277 CNc1cc(c(cc1F)C)O 7a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4466 B11R1.277 CNc1cc(c(cc1F)Cl)C 34a_100000091823_200000210301 [1,1,0,0,0,0|2,0,0]=4 4467 B11R1.277 CNc1cc(c(cc1F)Cl)C 7a_100000091823_200000210301 [1,1,0,0,0,0|2,0,0]=4 4468 B11R1.277 CNc1cc(c(cc1F)Cl)O 34a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4469 B11R1.277 CNc1cc(c(cc1F)Cl)O 7a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4470 B11R1.277 CNc1cc(c(cc1F)F)O 34a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4471 B11R1.277 CNc1cc(c(cc1F)F)O 7a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4472 B11R1.277 CNc1cc(c(cc1I)C)C 34a_100012353678_200000210301 [1,1,0,0,0,0|2,0,0]=4 4473 B11R1.277 CNc1cc(c(cc1I)C)C 7a_100012353678_200000210301 [1,1,0,0,0,0|2,0,0]=4 4474 B11R1.277 CNc1cc(c(cc1I)F)C 34a_100010238302_200000210301 [1,1,0,0,0,0|2,0,0]=4 4475 B11R1.277 CNc1cc(c(cc1I)F)C 7a_100010238302_200000210301 [1,1,0,0,0,0|2,0,0]=4 4476 B11R1.277 CNc1cc(c(cc1N)F)O 271570a_203496583355_100013631271 [1,1,0,0,0,0|2,0,0]=4 4477 B11R1.277 CNc1cc(c(cc1O)Br)Br 7a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4478 B11R1.277 CNc1cc(c(cc1O)Br)C 34a_200010107346_200000210301 [1,1,0,0,0,0|1,0,0]=3 4479 B11R1.277 CNc1cc(c(cc1O)Br)F 34a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4480 B11R1.277 CNc1cc(c(cc1O)Br)F 7a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4481 B11R1.277 CNc1cc(c(cc1O)C)Br 34a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 4482 B11R1.277 CNc1cc(c(cc1O)C)Br 7a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 4483 B11R1.277 CNc1cc(c(cc1O)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,0]=3 4484 B11R1.277 CNc1cc(c(cc1O)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,0]=3 4485 B11R1.277 CNc1cc(c(cc1O)C)Cl 34a_100000091707_200000210301 [1,1,0,0,0,0|2,0,0]=4 4486 B11R1.277 CNc1cc(c(cc1O)Cl)Br 34a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4487 B11R1.277 CNc1cc(c(cc1O)Cl)Br 7a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4488 B11R1.277 CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4489 B11R1.277 CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4490 B11R1.277 CNc1cc(c(cc1O)F)Br 34a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4491 B11R1.277 CNc1cc(c(cc1O)F)Br 7a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4492 B11R1.277 CNc1cc(c(cc1O)F)C 34a_100012022779_200000210301 [1,1,0,0,0,0|1,0,0]=3 4493 B11R1.277 CNc1cc(c(cc1O)F)C 7a_100012022779_200000210301 [1,1,0,0,0,0|1,0,0]=3 4494 B11R1.277 CNc1cc(c(cc1O)F)F 2230a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 4495 B11R1.277 CNc1cc(c(cc1O)F)F 34a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 4496 B11R1.277 CNc1cc(c(cc1O)F)F 7a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 4497 B11R1.277 COc1cc(c(cc1Br)Br)O 271570a_203496583355_200014006352 [1,1,0,0,0,0|1,0,0]=3 4498 B11R1.277 COc1cc(c(cc1Br)C)C 34a_100009814663_200000210301 [1,1,0,0,0,0|1,0,0]=3 4499 B11R1.277 COc1cc(c(cc1Br)C)C 7a_100009814663_200000210301 [1,1,0,0,0,0|1,0,0]=3 4500 B11R1.277 COc1cc(c(cc1Br)Cl)C 34a_100022700756_200000210301 [1,1,0,0,0,0|1,0,0]=3 4501 B11R1.277 COc1cc(c(cc1Br)Cl)C 7a_100022700756_200000210301 [1,1,0,0,0,0|1,0,0]=3 4502 B11R1.277 COc1cc(c(cc1Br)F)F 34a_100009813768_200000210301 [1,1,0,0,0,0|2,0,0]=4 4503 B11R1.277 COc1cc(c(cc1Br)F)F 7a_100009813768_200000210301 [1,1,0,0,0,0|2,0,0]=4 4504 B11R1.277 COc1cc(c(cc1Br)N)Br 34a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4505 B11R1.277 COc1cc(c(cc1Br)N)Br 7a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4506 B11R1.277 COc1cc(c(cc1C)Br)C 34a_100000698207_200000210301 [1,1,0,0,0,0|1,0,0]=3 4507 B11R1.277 COc1cc(c(cc1C)Br)C 7a_100000698207_200000210301 [1,1,0,0,0,0|1,0,0]=3 4508 B11R1.277 COc1cc(c(cc1C)C)C 34a_200000047129_200000210301 [1,1,0,0,0,0|1,0,0]=3 4509 B11R1.277 COc1cc(c(cc1C)C)C 7a_200000047129_200000210301 [1,1,0,0,0,0|1,0,0]=3 4510 B11R1.277 COc1cc(c(cc1C)Cl)N 34a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4511 B11R1.277 COc1cc(c(cc1C)Cl)N 7a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4512 B11R1.277 COc1cc(c(cc1C)F)Br 34a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 4513 B11R1.277 COc1cc(c(cc1C)F)Br 7a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 4514 B11R1.277 COc1cc(c(cc1C)F)C 34a_100010674473_200000210301 [1,1,0,0,0,0|1,0,0]=3 4515 B11R1.277 COc1cc(c(cc1C)F)C 7a_100010674473_200000210301 [1,1,0,0,0,0|1,0,0]=3 4516 B11R1.277 COc1cc(c(cc1C)F)F 34a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 4517 B11R1.277 COc1cc(c(cc1C)F)F 7a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 4518 B11R1.277 COc1cc(c(cc1C)F)I 34a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4519 B11R1.277 COc1cc(c(cc1C)F)I 7a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4520 B11R1.277 COc1cc(c(cc1C)F)N 34a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4521 B11R1.277 COc1cc(c(cc1C)F)N 7a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4522 B11R1.277 COc1cc(c(cc1C)I)C 34a_200011215153_200000210301 [1,1,0,0,0,0|1,0,0]=3 4523 B11R1.277 COc1cc(c(cc1C)I)C 7a_200011215153_200000210301 [1,1,0,0,0,0|1,0,0]=3 4524 B11R1.277 COc1cc(c(cc1C)N)C 34a_100000720036_200000210301 [1,1,0,0,0,0|1,0,0]=3 4525 B11R1.277 COc1cc(c(cc1C)N)C 7a_100000720036_200000210301 [1,1,0,0,0,0|1,0,0]=3 4526 B11R1.277 COc1cc(c(cc1C)N)O 271570a_203496583355_200010584344 [1,1,0,0,0,0|1,0,0]=3 4527 B11R1.277 COc1cc(c(cc1C)O)C 271570a_203496583355_100000698960 [1,1,0,0,0,0|1,0,0]=3 4528 B11R1.277 COc1cc(c(cc1C)O)N 271570a_203496583355_100010244135 [1,1,0,0,0,0|2,0,0]=4 4529 B11R1.277 COc1cc(c(cc1Cl)Br)C 34a_200012350488_200000210301 [1,1,0,0,0,0|1,0,0]=3 4530 B11R1.277 COc1cc(c(cc1Cl)Br)C 7a_200012350488_200000210301 [1,1,0,0,0,0|1,0,0]=3 4531 B11R1.277 COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200000210301 [1,1,0,0,0,0|2,0,0]=4 4532 B11R1.277 COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200000210301 [1,1,0,0,0,0|2,0,0]=4 4533 B11R1.277 COc1cc(c(cc1Cl)Br)F 34a_100000726166_200000210301 [1,1,0,0,0,0|2,0,0]=4 4534 B11R1.277 COc1cc(c(cc1Cl)Br)F 7a_100000726166_200000210301 [1,1,0,0,0,0|2,0,0]=4 4535 B11R1.277 COc1cc(c(cc1Cl)Br)I 34a_100021297947_200000210301 [1,1,0,0,0,0|2,0,0]=4 4536 B11R1.277 COc1cc(c(cc1Cl)Br)I 7a_100021297947_200000210301 [1,1,0,0,0,0|2,0,0]=4 4537 B11R1.277 COc1cc(c(cc1Cl)C)C 34a_100000031796_200000210301 [1,1,0,0,0,0|1,0,0]=3 4538 B11R1.277 COc1cc(c(cc1Cl)C)C 7a_100000031796_200000210301 [1,1,0,0,0,0|1,0,0]=3 4539 B11R1.277 COc1cc(c(cc1Cl)C)N 34a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4540 B11R1.277 COc1cc(c(cc1Cl)C)N 7a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4541 B11R1.277 COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200000210301 [1,1,0,0,0,0|2,0,0]=4 4542 B11R1.277 COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200000210301 [1,1,0,0,0,0|2,0,0]=4 4543 B11R1.277 COc1cc(c(cc1Cl)Cl)C 34a_100012002691_200000210301 [1,1,0,0,0,0|1,0,0]=3 4544 B11R1.277 COc1cc(c(cc1Cl)Cl)C 7a_100012002691_200000210301 [1,1,0,0,0,0|1,0,0]=3 4545 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4546 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4547 B11R1.277 COc1cc(c(cc1Cl)Cl)N 34a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4548 B11R1.277 COc1cc(c(cc1Cl)Cl)N 7a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4549 B11R1.277 COc1cc(c(cc1Cl)F)Br 34a_100010189047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4550 B11R1.277 COc1cc(c(cc1Cl)F)Br 7a_100010189047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4551 B11R1.277 COc1cc(c(cc1Cl)F)F 34a_100009848785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4552 B11R1.277 COc1cc(c(cc1Cl)F)F 7a_100009848785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4553 B11R1.277 COc1cc(c(cc1Cl)F)I 34a_100010735246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4554 B11R1.277 COc1cc(c(cc1Cl)F)I 7a_100010735246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4555 B11R1.277 COc1cc(c(cc1Cl)F)N 34a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4556 B11R1.277 COc1cc(c(cc1Cl)F)N 7a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4557 B11R1.277 COc1cc(c(cc1Cl)F)O 271570a_203496583355_100010739614 [1,1,0,0,0,0|1,0,0]=3 4558 B11R1.277 COc1cc(c(cc1Cl)N)Cl 34a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 4559 B11R1.277 COc1cc(c(cc1Cl)N)Cl 7a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 4560 B11R1.277 COc1cc(c(cc1F)Br)C 34a_100012355673_200000210301 [1,1,0,0,0,0|1,0,0]=3 4561 B11R1.277 COc1cc(c(cc1F)Br)C 7a_100012355673_200000210301 [1,1,0,0,0,0|1,0,0]=3 4562 B11R1.277 COc1cc(c(cc1F)Br)F 34a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4563 B11R1.277 COc1cc(c(cc1F)Br)F 7a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4564 B11R1.277 COc1cc(c(cc1F)C)Br 34a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4565 B11R1.277 COc1cc(c(cc1F)C)Br 7a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4566 B11R1.277 COc1cc(c(cc1F)C)O 271570a_203496583355_100011009880 [1,1,0,0,0,0|1,0,0]=3 4567 B11R1.277 COc1cc(c(cc1F)F)Br 34a_100012457948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.277 COc1cc(c(cc1F)F)Br 7a_100012457948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4569 B11R1.277 COc1cc(c(cc1F)F)F 34a_100000237555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4570 B11R1.277 COc1cc(c(cc1F)F)F 7a_100000237555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4571 B11R1.277 COc1cc(c(cc1F)F)I 34a_100015789030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4572 B11R1.277 COc1cc(c(cc1F)F)I 7a_100015789030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4573 B11R1.277 COc1cc(c(cc1F)F)N 34a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4574 B11R1.277 COc1cc(c(cc1F)F)N 7a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4575 B11R1.277 COc1cc(c(cc1F)F)O 271570a_203496583355_200015541288 [1,1,0,0,0,0|1,0,0]=3 4576 B11R1.277 COc1cc(c(cc1F)N)Cl 34a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4577 B11R1.277 COc1cc(c(cc1F)N)Cl 7a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4578 B11R1.277 COc1cc(c(cc1F)N)F 34a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4579 B11R1.277 COc1cc(c(cc1F)N)F 7a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4580 B11R1.277 COc1cc(c(cc1F)N)O 271570a_203496583355_100010365326 [1,1,0,0,0,0|1,0,0]=3 4581 B11R1.277 COc1cc(c(cc1F)O)C 271570a_203496583355_100010074640 [1,1,0,0,0,0|1,0,0]=3 4582 B11R1.277 COc1cc(c(cc1F)O)F 271570a_203496583355_100009813720 [1,1,0,0,0,0|2,0,0]=4 4583 B11R1.277 COc1cc(c(cc1F)O)N 271570a_203496583355_100010208193 [1,1,0,0,0,0|2,0,0]=4 4584 B11R1.277 COc1cc(c(cc1I)F)F 34a_100010749349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4585 B11R1.277 COc1cc(c(cc1I)F)F 7a_100010749349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4586 B11R1.277 COc1cc(c(cc1N)Br)Br 34a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4587 B11R1.277 COc1cc(c(cc1N)Br)Br 7a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4588 B11R1.277 COc1cc(c(cc1N)Br)C 34a_200010235796_200000210301 [1,1,0,0,0,0|1,0,0]=3 4589 B11R1.277 COc1cc(c(cc1N)Br)C 7a_200010235796_200000210301 [1,1,0,0,0,0|1,0,0]=3 4590 B11R1.277 COc1cc(c(cc1N)Br)Cl 34a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4591 B11R1.277 COc1cc(c(cc1N)Br)Cl 7a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4592 B11R1.277 COc1cc(c(cc1N)Br)F 34a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4593 B11R1.277 COc1cc(c(cc1N)Br)F 7a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4594 B11R1.277 COc1cc(c(cc1N)C)Br 34a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.277 COc1cc(c(cc1N)C)Br 7a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4596 B11R1.277 COc1cc(c(cc1N)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,0]=3 4597 B11R1.277 COc1cc(c(cc1N)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,0]=3 4598 B11R1.277 COc1cc(c(cc1N)C)F 34a_100012022779_200000210301 [1,1,0,0,0,0|2,0,0]=4 4599 B11R1.277 COc1cc(c(cc1N)C)F 7a_100012022779_200000210301 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.277 COc1cc(c(cc1N)C)O 271570a_203496583355_100010141321 [1,1,0,0,0,0|1,0,0]=3 4601 B11R1.277 COc1cc(c(cc1N)Cl)C 34a_100000091707_200000210301 [1,1,0,0,0,0|1,0,0]=3 4602 B11R1.277 COc1cc(c(cc1N)Cl)C 7a_100000091707_200000210301 [1,1,0,0,0,0|1,0,0]=3 4603 B11R1.277 COc1cc(c(cc1N)Cl)Cl 34a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4604 B11R1.277 COc1cc(c(cc1N)Cl)Cl 7a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B11R1.277 COc1cc(c(cc1N)F)Br 34a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4606 B11R1.277 COc1cc(c(cc1N)F)Br 7a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4607 B11R1.277 COc1cc(c(cc1N)F)F 34a_100011217416_200000210301 [1,1,0,0,0,0|2,0,0]=4 4608 B11R1.277 COc1cc(c(cc1N)F)F 7a_100011217416_200000210301 [1,1,0,0,0,0|2,0,0]=4 4609 B11R1.277 COc1cc(c(cc1N)F)O 271570a_203496583355_100012766639 [1,1,0,0,0,0|1,0,0]=3 4610 B11R1.277 COc1cc(c(cc1N)I)Cl 34a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4611 B11R1.277 COc1cc(c(cc1N)I)Cl 7a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4612 B11R1.277 COc1cc(c(cc1N)O)Cl 271570a_203496583355_100011011177 [1,1,0,0,0,0|2,0,0]=4 4613 B11R1.277 COc1cc(c(cc1N)O)F 271570a_203496583355_100012361397 [1,1,0,0,0,0|2,0,0]=4 4614 B11R1.277 COc1cc(c(cc1O)C)F 271570a_203496583355_100010201977 [1,1,0,0,0,0|1,0,0]=3 4615 B11R1.277 COc1cc(c(cc1O)C)N 271570a_203496583355_100010232211 [1,1,0,0,0,0|1,0,0]=3 4616 B11R1.277 COc1cc(c(cc1O)F)F 271570a_203496583355_100009813744 [1,1,0,0,0,0|1,0,0]=3 4617 B11R1.277 COc1cc(c(cc1O)F)O 271570a_203496583355_100010189133 [1,1,0,0,0,0|0,0,0]=2 4618 B11R1.277 COc1cc(c(cc1O)N)C 271570a_203496583355_106657271712 [1,1,0,0,0,0|0,0,0]=2 4619 B11R1.277 COc1cc(c(cc1O)N)N 271570a_203496583355_100012769537 [1,1,0,0,0,0|1,0,0]=3 4620 B11R1.277 COc1cc(c(nc1N)C)O 271570a_203496583355_200010892190 [1,1,0,0,0,0|2,0,0]=4 4621 B11R1.277 COc1nc(c(cc1Br)Cl)C 34a_200010749519_200000210301 [1,1,0,0,0,0|2,0,0]=4 4622 B11R1.277 CSc1cc(c(cc1Br)Cl)O 62a_100021297947_200000210301 [1,1,0,0,0,0|1,1,0]=4 4623 B11R1.277 CSc1cc(c(cc1Br)Cl)O 62a_200000210301_100021297947 [1,1,0,0,0,0|1,1,0]=4 4624 B11R1.277 CSc1cc(c(cc1Br)F)C 62a_200000210301_200009814773 [1,1,0,0,0,0|1,1,0]=4 4625 B11R1.277 CSc1cc(c(cc1Br)F)C 62a_200009814773_200000210301 [1,1,0,0,0,0|1,1,0]=4 4626 B11R1.277 CSc1cc(c(cc1C)Br)C 62a_100011356911_200000210301 [1,1,0,0,0,0|1,1,0]=4 4627 B11R1.277 CSc1cc(c(cc1C)Br)C 62a_200000210301_100011356911 [1,1,0,0,0,0|1,1,0]=4 4628 B11R1.277 CSc1cc(c(cc1C)C)C 62a_100000759388_200000210301 [1,1,0,0,0,0|1,1,0]=4 4629 B11R1.277 CSc1cc(c(cc1C)C)C 62a_200000210301_100000759388 [1,1,0,0,0,0|1,1,0]=4 4630 B11R1.277 CSc1cc(c(cc1C)Cl)C 62a_100012357408_200000210301 [1,1,0,0,0,0|1,1,0]=4 4631 B11R1.277 CSc1cc(c(cc1C)Cl)C 62a_200000210301_100012357408 [1,1,0,0,0,0|1,1,0]=4 4632 B11R1.277 CSc1cc(c(cc1C)F)C 62a_100010212296_200000210301 [1,1,0,0,0,0|1,1,0]=4 4633 B11R1.277 CSc1cc(c(cc1C)F)C 62a_200000210301_100010212296 [1,1,0,0,0,0|1,1,0]=4 4634 B11R1.277 CSc1cc(c(cc1C)F)O 62a_100010068922_200000210301 [1,1,0,0,0,0|1,1,0]=4 4635 B11R1.277 CSc1cc(c(cc1C)F)O 62a_200000210301_100010068922 [1,1,0,0,0,0|1,1,0]=4 4636 B11R1.277 CSc1cc(c(cc1C)N)C 62a_100011934712_200000210301 [1,1,0,0,0,0|1,1,0]=4 4637 B11R1.277 CSc1cc(c(cc1C)N)C 62a_200000210301_100011934712 [1,1,0,0,0,0|1,1,0]=4 4638 B11R1.277 CSc1cc(c(cc1C)N)O 62a_200000210301_200010107346 [1,1,0,0,0,0|1,1,0]=4 4639 B11R1.277 CSc1cc(c(cc1C)N)O 62a_200010107346_200000210301 [1,1,0,0,0,0|1,1,0]=4 4640 B11R1.277 CSc1cc(c(cc1C)O)C 62a_100000698207_200000210301 [1,1,0,0,0,0|1,1,0]=4 4641 B11R1.277 CSc1cc(c(cc1C)O)C 62a_200000210301_100000698207 [1,1,0,0,0,0|1,1,0]=4 4642 B11R1.277 CSc1cc(c(cc1Cl)Br)C 62a_100010259621_200000210301 [1,1,0,0,0,0|1,1,0]=4 4643 B11R1.277 CSc1cc(c(cc1Cl)Br)C 62a_200000210301_100010259621 [1,1,0,0,0,0|1,1,0]=4 4644 B11R1.277 CSc1cc(c(cc1F)Br)C 62a_200000210301_200009814772 [1,1,0,0,0,0|1,1,0]=4 4645 B11R1.277 CSc1cc(c(cc1F)Br)C 62a_200009814772_200000210301 [1,1,0,0,0,0|1,1,0]=4 4646 B11R1.277 CSc1cc(c(cc1F)C)C 62a_100010197417_200000210301 [1,1,0,0,0,0|1,1,0]=4 4647 B11R1.277 CSc1cc(c(cc1F)C)C 62a_200000210301_100010197417 [1,1,0,0,0,0|1,1,0]=4 4648 B11R1.277 CSc1cc(c(cc1F)C)O 62a_100014242602_200000210301 [1,1,0,0,0,0|1,1,0]=4 4649 B11R1.277 CSc1cc(c(cc1F)C)O 62a_200000210301_100014242602 [1,1,0,0,0,0|1,1,0]=4 4650 B11R1.277 CSc1cc(c(cc1F)Cl)O 62a_100010735246_200000210301 [1,1,0,0,0,0|1,1,0]=4 4651 B11R1.277 CSc1cc(c(cc1F)Cl)O 62a_200000210301_100010735246 [1,1,0,0,0,0|1,1,0]=4 4652 B11R1.277 CSc1cc(c(cc1F)F)C 62a_100000692463_200000210301 [1,1,0,0,0,0|1,1,0]=4 4653 B11R1.277 CSc1cc(c(cc1F)F)C 62a_200000210301_100000692463 [1,1,0,0,0,0|1,1,0]=4 4654 B11R1.277 CSc1cc(c(cc1F)F)O 62a_100012457948_200000210301 [1,1,0,0,0,0|1,1,0]=4 4655 B11R1.277 CSc1cc(c(cc1F)F)O 62a_200000210301_100012457948 [1,1,0,0,0,0|1,1,0]=4 4656 B11R1.277 CSc1cc(c(cc1F)N)C 62a_100000695870_200000210301 [1,1,0,0,0,0|1,1,0]=4 4657 B11R1.277 CSc1cc(c(cc1F)N)C 62a_200000210301_100000695870 [1,1,0,0,0,0|1,1,0]=4 4658 B11R1.277 CSc1cc(c(cc1F)N)O 62a_100013038943_200000210301 [1,1,0,0,0,0|1,1,0]=4 4659 B11R1.277 CSc1cc(c(cc1F)N)O 62a_200000210301_100013038943 [1,1,0,0,0,0|1,1,0]=4 4660 B11R1.277 CSc1cc(c(cc1N)Br)C 62a_200000210301_200015600912 [1,1,0,0,0,0|1,1,0]=4 4661 B11R1.277 CSc1cc(c(cc1N)Br)C 62a_200015600912_200000210301 [1,1,0,0,0,0|1,1,0]=4 4662 B11R1.277 CSc1cc(c(cc1N)C)C 62a_100012337760_200000210301 [1,1,0,0,0,0|1,1,0]=4 4663 B11R1.277 CSc1cc(c(cc1N)C)C 62a_200000210301_100012337760 [1,1,0,0,0,0|1,1,0]=4 4664 B11R1.277 CSc1cc(c(cc1N)F)C 62a_100011218008_200000210301 [1,1,0,0,0,0|1,1,0]=4 4665 B11R1.277 CSc1cc(c(cc1N)F)C 62a_200000210301_100011218008 [1,1,0,0,0,0|1,1,0]=4 4666 B11R1.277 CSc1cc(c(cc1N)N)C 62a_200000210301_200013038441 [1,1,0,0,0,0|1,1,0]=4 4667 B11R1.277 CSc1cc(c(cc1N)N)C 62a_200013038441_200000210301 [1,1,0,0,0,0|1,1,0]=4 4668 B11R1.277 CSc1cc(c(cc1O)C)C 62a_100009814663_200000210301 [1,1,0,0,0,0|0,1,0]=3 4669 B11R1.277 CSc1cc(c(cc1O)C)C 62a_200000210301_100009814663 [1,1,0,0,0,0|0,1,0]=3 4670 B11R1.277 CSc1cc(c(cc1O)F)F 62a_100009813768_200000210301 [1,1,0,0,0,0|1,1,0]=4 4671 B11R1.277 CSc1cc(c(cc1O)F)F 62a_200000210301_100009813768 [1,1,0,0,0,0|1,1,0]=4 4672 B11R1.277 Cc1cc(c(cc1Br)Br)N[13CH3] 34a_100009995518_200025704644 [1,1,0,0,0,0|2,0,0]=4 4673 B11R1.277 Cc1cc(c(cc1Br)Br)N[13CH3] 7a_100009995518_200025704644 [1,1,0,0,0,0|2,0,0]=4 4674 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 2230a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4675 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 34a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4676 B11R1.277 Cc1cc(c(cc1Br)C)N[13CH3] 7a_100011934712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4677 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 34a_100000698207_200025704644 [1,1,0,0,0,0|1,0,0]=3 4678 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 7a_100000698207_200025704644 [1,1,0,0,0,0|1,0,0]=3 4679 B11R1.277 Cc1cc(c(cc1Br)C)S[13CH3] 62a_100011356911_200025704644 [1,1,0,0,0,0|1,1,0]=4 4680 B11R1.277 Cc1cc(c(cc1Br)C)S[13CH3] 62a_200025704644_100011356911 [1,1,0,0,0,0|1,1,0]=4 4681 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 34a_200012350488_200025704644 [1,1,0,0,0,0|1,0,0]=3 4682 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 7a_200012350488_200025704644 [1,1,0,0,0,0|1,0,0]=3 4683 B11R1.277 Cc1cc(c(cc1Br)Cl)S[13CH3] 62a_100010259621_200025704644 [1,1,0,0,0,0|1,1,0]=4 4684 B11R1.277 Cc1cc(c(cc1Br)Cl)S[13CH3] 62a_200025704644_100010259621 [1,1,0,0,0,0|1,1,0]=4 4685 B11R1.277 Cc1cc(c(cc1Br)F)N[13CH3] 2230a_100000691575_200025704644 [1,1,0,0,0,0|2,0,0]=4 4686 B11R1.277 Cc1cc(c(cc1Br)F)N[13CH3] 34a_100000691575_200025704644 [1,1,0,0,0,0|2,0,0]=4 4687 B11R1.277 Cc1cc(c(cc1Br)F)N[13CH3] 7a_100000691575_200025704644 [1,1,0,0,0,0|2,0,0]=4 4688 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 34a_100012355673_200025704644 [1,1,0,0,0,0|1,0,0]=3 4689 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 7a_100012355673_200025704644 [1,1,0,0,0,0|1,0,0]=3 4690 B11R1.277 Cc1cc(c(cc1Br)F)S[13CH3] 62a_200009814772_200025704644 [1,1,0,0,0,0|1,1,0]=4 4691 B11R1.277 Cc1cc(c(cc1Br)F)S[13CH3] 62a_200025704644_200009814772 [1,1,0,0,0,0|1,1,0]=4 4692 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 34a_200010235796_200025704644 [1,1,0,0,0,0|1,0,0]=3 4693 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 7a_200010235796_200025704644 [1,1,0,0,0,0|1,0,0]=3 4694 B11R1.277 Cc1cc(c(cc1Br)N)S[13CH3] 62a_200015600912_200025704644 [1,1,0,0,0,0|1,1,0]=4 4695 B11R1.277 Cc1cc(c(cc1Br)N)S[13CH3] 62a_200025704644_200015600912 [1,1,0,0,0,0|1,1,0]=4 4696 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 34a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 4697 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 7a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 4698 B11R1.277 Cc1cc(c(cc1Br)O)N[13CH3] 34a_200010107346_200025704644 [1,1,0,0,0,0|1,0,0]=3 4699 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])F 34a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4700 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])F 7a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4701 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])N 34a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4702 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])N 7a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4703 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,1,0,0,0,0|2,0,0]=4 4704 B11R1.277 Cc1cc(c(cc1C)CO)O 271570a_203496583355_100010184405 [1,1,0,0,0,0|2,0,0]=4 4705 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Br 34a_100012337760_200025704644 [1,1,0,0,0,0|2,0,0]=4 4706 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Br 7a_100012337760_200025704644 [1,1,0,0,0,0|2,0,0]=4 4707 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 2230a_100011217141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4708 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 34a_100011217141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4709 B11R1.277 Cc1cc(c(cc1C)N[13CH3])C 7a_100011217141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4710 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Cl 34a_100012183282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4711 B11R1.277 Cc1cc(c(cc1C)N[13CH3])Cl 7a_100012183282_200025704644 [1,1,0,0,0,0|2,0,0]=4 4712 B11R1.277 Cc1cc(c(cc1C)N[13CH3])I 34a_100012353678_200025704644 [1,1,0,0,0,0|2,0,0]=4 4713 B11R1.277 Cc1cc(c(cc1C)N[13CH3])I 7a_100012353678_200025704644 [1,1,0,0,0,0|2,0,0]=4 4714 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,0]=3 4715 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,0]=3 4716 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 34a_100009814663_200025704644 [1,1,0,0,0,0|1,0,0]=3 4717 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 7a_100009814663_200025704644 [1,1,0,0,0,0|1,0,0]=3 4718 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 34a_200000047129_200025704644 [1,1,0,0,0,0|1,0,0]=3 4719 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 7a_200000047129_200025704644 [1,1,0,0,0,0|1,0,0]=3 4720 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 34a_100000031796_200025704644 [1,1,0,0,0,0|1,0,0]=3 4721 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 7a_100000031796_200025704644 [1,1,0,0,0,0|1,0,0]=3 4722 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,0]=3 4723 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,0]=3 4724 B11R1.277 Cc1cc(c(cc1C)S[13CH3])C 62a_100000759388_200025704644 [1,1,0,0,0,0|1,1,0]=4 4725 B11R1.277 Cc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100000759388 [1,1,0,0,0,0|1,1,0]=4 4726 B11R1.277 Cc1cc(c(cc1C)S[13CH3])F 62a_100010197417_200025704644 [1,1,0,0,0,0|1,1,0]=4 4727 B11R1.277 Cc1cc(c(cc1C)S[13CH3])F 62a_200025704644_100010197417 [1,1,0,0,0,0|1,1,0]=4 4728 B11R1.277 Cc1cc(c(cc1C)S[13CH3])N 62a_100012337760_200025704644 [1,1,0,0,0,0|1,1,0]=4 4729 B11R1.277 Cc1cc(c(cc1C)S[13CH3])N 62a_200025704644_100012337760 [1,1,0,0,0,0|1,1,0]=4 4730 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_100009814663_200025704644 [1,1,0,0,0,0|0,1,0]=3 4731 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_200025704644_100009814663 [1,1,0,0,0,0|0,1,0]=3 4732 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 34a_100022700756_200025704644 [1,1,0,0,0,0|1,0,0]=3 4733 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 7a_100022700756_200025704644 [1,1,0,0,0,0|1,0,0]=3 4734 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 2230a_100011830454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 34a_100011830454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4736 B11R1.277 Cc1cc(c(cc1Cl)C)N[13CH3] 7a_100011830454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4737 B11R1.277 Cc1cc(c(cc1Cl)C)S[13CH3] 62a_100012357408_200025704644 [1,1,0,0,0,0|1,1,0]=4 4738 B11R1.277 Cc1cc(c(cc1Cl)C)S[13CH3] 62a_200025704644_100012357408 [1,1,0,0,0,0|1,1,0]=4 4739 B11R1.277 Cc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100012000392_200025704644 [1,1,0,0,0,0|2,0,0]=4 4740 B11R1.277 Cc1cc(c(cc1Cl)Cl)N[13CH3] 7a_100012000392_200025704644 [1,1,0,0,0,0|2,0,0]=4 4741 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 34a_100012002691_200025704644 [1,1,0,0,0,0|1,0,0]=3 4742 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 7a_100012002691_200025704644 [1,1,0,0,0,0|1,0,0]=3 4743 B11R1.277 Cc1cc(c(cc1Cl)F)N[13CH3] 34a_100000091823_200025704644 [1,1,0,0,0,0|2,0,0]=4 4744 B11R1.277 Cc1cc(c(cc1Cl)F)N[13CH3] 7a_100000091823_200025704644 [1,1,0,0,0,0|2,0,0]=4 4745 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 34a_100000091707_200025704644 [1,1,0,0,0,0|1,0,0]=3 4746 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 7a_100000091707_200025704644 [1,1,0,0,0,0|1,0,0]=3 4747 B11R1.277 Cc1cc(c(cc1Cl)N[13CH3])O 34a_100000091707_200025704644 [1,1,0,0,0,0|2,0,0]=4 4748 B11R1.277 Cc1cc(c(cc1F)Br)N[13CH3] 34a_100010233353_200025704644 [1,1,0,0,0,0|2,0,0]=4 4749 B11R1.277 Cc1cc(c(cc1F)Br)N[13CH3] 7a_100010233353_200025704644 [1,1,0,0,0,0|2,0,0]=4 4750 B11R1.277 Cc1cc(c(cc1F)Br)S[13CH3] 62a_200009814773_200025704644 [1,1,0,0,0,0|1,1,0]=4 4751 B11R1.277 Cc1cc(c(cc1F)Br)S[13CH3] 62a_200025704644_200009814773 [1,1,0,0,0,0|1,1,0]=4 4752 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 34a_100010674473_200025704644 [1,1,0,0,0,0|1,0,0]=3 4753 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 7a_100010674473_200025704644 [1,1,0,0,0,0|1,0,0]=3 4754 B11R1.277 Cc1cc(c(cc1F)C)S[13CH3] 62a_100010212296_200025704644 [1,1,0,0,0,0|1,1,0]=4 4755 B11R1.277 Cc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100010212296 [1,1,0,0,0,0|1,1,0]=4 4756 B11R1.277 Cc1cc(c(cc1F)Cl)N[13CH3] 34a_100000729549_200025704644 [1,1,0,0,0,0|2,0,0]=4 4757 B11R1.277 Cc1cc(c(cc1F)Cl)N[13CH3] 7a_100000729549_200025704644 [1,1,0,0,0,0|2,0,0]=4 4758 B11R1.277 Cc1cc(c(cc1F)F)S[13CH3] 62a_100000692463_200025704644 [1,1,0,0,0,0|1,1,0]=4 4759 B11R1.277 Cc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100000692463 [1,1,0,0,0,0|1,1,0]=4 4760 B11R1.277 Cc1cc(c(cc1F)I)N[13CH3] 34a_100010238302_200025704644 [1,1,0,0,0,0|2,0,0]=4 4761 B11R1.277 Cc1cc(c(cc1F)I)N[13CH3] 7a_100010238302_200025704644 [1,1,0,0,0,0|2,0,0]=4 4762 B11R1.277 Cc1cc(c(cc1F)N)S[13CH3] 62a_100011218008_200025704644 [1,1,0,0,0,0|1,1,0]=4 4763 B11R1.277 Cc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100011218008 [1,1,0,0,0,0|1,1,0]=4 4764 B11R1.277 Cc1cc(c(cc1F)O)C#N 271570a_203496583355_100009816884 [1,1,0,0,0,0|2,0,0]=4 4765 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,1,0,0,0,0|2,0,0]=4 4766 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 34a_100012022779_200025704644 [1,1,0,0,0,0|1,0,0]=3 4767 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 7a_100012022779_200025704644 [1,1,0,0,0,0|1,0,0]=3 4768 B11R1.277 Cc1cc(c(cc1F)O[13CH3])N 34a_100012022779_200025704644 [1,1,0,0,0,0|2,0,0]=4 4769 B11R1.277 Cc1cc(c(cc1F)O[13CH3])N 7a_100012022779_200025704644 [1,1,0,0,0,0|2,0,0]=4 4770 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 34a_200011215153_200025704644 [1,1,0,0,0,0|1,0,0]=3 4771 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 7a_200011215153_200025704644 [1,1,0,0,0,0|1,0,0]=3 4772 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 34a_100000720036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4773 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 7a_100000720036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4774 B11R1.277 Cc1cc(c(cc1N)C)S[13CH3] 62a_100011934712_200025704644 [1,1,0,0,0,0|1,1,0]=4 4775 B11R1.277 Cc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100011934712 [1,1,0,0,0,0|1,1,0]=4 4776 B11R1.277 Cc1cc(c(cc1N)F)S[13CH3] 62a_100000695870_200025704644 [1,1,0,0,0,0|1,1,0]=4 4777 B11R1.277 Cc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100000695870 [1,1,0,0,0,0|1,1,0]=4 4778 B11R1.277 Cc1cc(c(cc1N)N)S[13CH3] 62a_200013038441_200025704644 [1,1,0,0,0,0|1,1,0]=4 4779 B11R1.277 Cc1cc(c(cc1N)N)S[13CH3] 62a_200025704644_200013038441 [1,1,0,0,0,0|1,1,0]=4 4780 B11R1.277 Cc1cc(c(cc1N)O[13CH3])Cl 34a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4781 B11R1.277 Cc1cc(c(cc1N)O[13CH3])Cl 7a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4782 B11R1.277 Cc1cc(c(cc1N[13CH3])O)Cl 34a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4783 B11R1.277 Cc1cc(c(cc1N[13CH3])O)Cl 7a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4784 B11R1.277 Cc1cc(c(cc1O)C)N[13CH3] 34a_100000720036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4785 B11R1.277 Cc1cc(c(cc1O)C)N[13CH3] 7a_100000720036_200025704644 [1,1,0,0,0,0|2,0,0]=4 4786 B11R1.277 Cc1cc(c(cc1O)C)S[13CH3] 62a_100000698207_200025704644 [1,1,0,0,0,0|1,1,0]=4 4787 B11R1.277 Cc1cc(c(cc1O)C)S[13CH3] 62a_200025704644_100000698207 [1,1,0,0,0,0|1,1,0]=4 4788 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|2,0,0]=4 4789 B11R1.277 Cc1cc(c(cc1O)N[13CH3])Cl 34a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4790 B11R1.277 Cc1cc(c(cc1O)N[13CH3])Cl 7a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4791 B11R1.277 Cc1cc(c(cc1O)N[13CH3])F 34a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4792 B11R1.277 Cc1cc(c(cc1O)N[13CH3])F 7a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4793 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|2,0,0]=4 4794 B11R1.277 Cc1cc(c(cc1O)S[13CH3])F 62a_100014242602_200025704644 [1,1,0,0,0,0|1,1,0]=4 4795 B11R1.277 Cc1cc(c(cc1O)S[13CH3])F 62a_200025704644_100014242602 [1,1,0,0,0,0|1,1,0]=4 4796 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 34a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4797 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 7a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4798 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 34a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4799 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 7a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4800 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 34a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4801 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 7a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4802 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 34a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4803 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 7a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4804 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 34a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4805 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 7a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4806 B11R1.277 Cc1cc(c(cc1S[13CH3])O)F 62a_100010068922_200025704644 [1,1,0,0,0,0|1,1,0]=4 4807 B11R1.277 Cc1cc(c(cc1S[13CH3])O)F 62a_200025704644_100010068922 [1,1,0,0,0,0|1,1,0]=4 4808 B11R1.277 Cc1cc(c(cc1S[13CH3])O)N 62a_200010107346_200025704644 [1,1,0,0,0,0|1,1,0]=4 4809 B11R1.277 Cc1cc(c(cc1S[13CH3])O)N 62a_200025704644_200010107346 [1,1,0,0,0,0|1,1,0]=4 4810 B11R1.277 Cc1nc(c(cc1Cl)Br)O[13CH3] 34a_200010749519_200025704644 [1,1,0,0,0,0|2,0,0]=4 4811 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|2,0,0]=4 4812 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|2,0,0]=4 4813 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|2,0,0]=4 4814 B11R1.277 [13CH3]Nc1cc(c(cc1Cl)Cl)O 34a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4815 B11R1.277 [13CH3]Nc1cc(c(cc1Cl)Cl)O 7a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4816 B11R1.277 [13CH3]Nc1cc(c(cc1F)Cl)O 34a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4817 B11R1.277 [13CH3]Nc1cc(c(cc1F)Cl)O 7a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4818 B11R1.277 [13CH3]Nc1cc(c(cc1F)F)O 34a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4819 B11R1.277 [13CH3]Nc1cc(c(cc1F)F)O 7a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4820 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)Br 7a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4821 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)F 34a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4822 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)F 7a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4823 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Br 34a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4824 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Br 7a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4825 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Cl 34a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4826 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Cl 7a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4827 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)Br 34a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4828 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)Br 7a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4829 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 2230a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4830 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 34a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4831 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 7a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4832 B11R1.277 [13CH3]Oc1cc(c(cc1Br)F)F 34a_100009813768_200025704644 [1,1,0,0,0,0|2,0,0]=4 4833 B11R1.277 [13CH3]Oc1cc(c(cc1Br)F)F 7a_100009813768_200025704644 [1,1,0,0,0,0|2,0,0]=4 4834 B11R1.277 [13CH3]Oc1cc(c(cc1Br)N)Br 34a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4835 B11R1.277 [13CH3]Oc1cc(c(cc1Br)N)Br 7a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4836 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200025704644 [1,1,0,0,0,0|2,0,0]=4 4837 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200025704644 [1,1,0,0,0,0|2,0,0]=4 4838 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)F 34a_100000726166_200025704644 [1,1,0,0,0,0|2,0,0]=4 4839 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)F 7a_100000726166_200025704644 [1,1,0,0,0,0|2,0,0]=4 4840 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)I 34a_100021297947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4841 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)I 7a_100021297947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4842 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4843 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4844 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4845 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4846 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)N 34a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4847 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)N 7a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4848 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)Br 34a_100010189047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4849 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)Br 7a_100010189047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4850 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)F 34a_100009848785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4851 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)F 7a_100009848785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4852 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)I 34a_100010735246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4853 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)I 7a_100010735246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4854 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)N 34a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4855 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)N 7a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4856 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)N)Cl 34a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4857 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)N)Cl 7a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4858 B11R1.277 [13CH3]Oc1cc(c(cc1F)Br)F 34a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4859 B11R1.277 [13CH3]Oc1cc(c(cc1F)Br)F 7a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4860 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)Br 34a_100012457948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4861 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)Br 7a_100012457948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4862 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)F 34a_100000237555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4863 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)F 7a_100000237555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4864 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)I 34a_100015789030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4865 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)I 7a_100015789030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4866 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)N 34a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4867 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)N 7a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4868 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)Cl 34a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4869 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)Cl 7a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4870 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)F 34a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4871 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)F 7a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4872 B11R1.277 [13CH3]Oc1cc(c(cc1I)F)F 34a_100010749349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4873 B11R1.277 [13CH3]Oc1cc(c(cc1I)F)F 7a_100010749349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4874 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Br 34a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4875 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Br 7a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4876 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Cl 34a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4877 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Cl 7a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4878 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)F 34a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4879 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)F 7a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4880 B11R1.277 [13CH3]Oc1cc(c(cc1N)Cl)Cl 34a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4881 B11R1.277 [13CH3]Oc1cc(c(cc1N)Cl)Cl 7a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4882 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)Br 34a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4883 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)Br 7a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4884 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)F 34a_100011217416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4885 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)F 7a_100011217416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4886 B11R1.277 [13CH3]Oc1cc(c(cc1N)I)Cl 34a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4887 B11R1.277 [13CH3]Oc1cc(c(cc1N)I)Cl 7a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4888 B11R1.277 [13CH3]Sc1cc(c(cc1Br)Cl)O 62a_100021297947_200025704644 [1,1,0,0,0,0|1,1,0]=4 4889 B11R1.277 [13CH3]Sc1cc(c(cc1Br)Cl)O 62a_200025704644_100021297947 [1,1,0,0,0,0|1,1,0]=4 4890 B11R1.277 [13CH3]Sc1cc(c(cc1F)Cl)O 62a_100010735246_200025704644 [1,1,0,0,0,0|1,1,0]=4 4891 B11R1.277 [13CH3]Sc1cc(c(cc1F)Cl)O 62a_200025704644_100010735246 [1,1,0,0,0,0|1,1,0]=4 4892 B11R1.277 [13CH3]Sc1cc(c(cc1F)F)O 62a_100012457948_200025704644 [1,1,0,0,0,0|1,1,0]=4 4893 B11R1.277 [13CH3]Sc1cc(c(cc1F)F)O 62a_200025704644_100012457948 [1,1,0,0,0,0|1,1,0]=4 4894 B11R1.277 [13CH3]Sc1cc(c(cc1F)N)O 62a_100013038943_200025704644 [1,1,0,0,0,0|1,1,0]=4 4895 B11R1.277 [13CH3]Sc1cc(c(cc1F)N)O 62a_200025704644_100013038943 [1,1,0,0,0,0|1,1,0]=4 4896 B11R1.277 [13CH3]Sc1cc(c(cc1O)F)F 62a_100009813768_200025704644 [1,1,0,0,0,0|1,1,0]=4 4897 B11R1.277 [13CH3]Sc1cc(c(cc1O)F)F 62a_200025704644_100009813768 [1,1,0,0,0,0|1,1,0]=4 4898 B11R1.9 C=Cc1cc(cc(c1)CO)Br 271570a_100011290941_100009814756 [1,1,0,0,0,0|1,0,1]=4 4899 B11R1.9 C=Cc1cc(cc(c1)CO)C 271570a_100011290941_100000720511 [1,1,0,0,0,0|1,0,1]=4 4900 B11R1.9 C=Cc1cc(cc(c1)CO)F 271570a_100011290941_100000766897 [1,1,0,0,0,0|1,0,1]=4 4901 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [1,1,0,0,0,0|1,0,1]=4 4902 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [1,1,0,0,0,0|1,0,1]=4 4903 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [1,1,0,0,0,0|1,0,1]=4 4904 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [1,1,0,0,0,0|1,0,1]=4 4905 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [1,1,0,0,0,0|1,0,1]=4 4906 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [1,1,0,0,0,0|1,0,1]=4 4907 B11R1.9 CCc1cc(cc(c1)CC)O 271570a_203496583355_100010187588 [1,1,0,0,0,0|2,0,0]=4 4908 B11R1.9 CCc1cc(cc(c1)NC)Br 2230a_100010074814_200000210301 [1,1,0,0,0,0|2,0,0]=4 4909 B11R1.9 CCc1cc(cc(c1)NC)Br 34a_100010074814_200000210301 [1,1,0,0,0,0|2,0,0]=4 4910 B11R1.9 CCc1cc(cc(c1)NC)Br 7a_100010074814_200000210301 [1,1,0,0,0,0|2,0,0]=4 4911 B11R1.9 CCc1cc(cc(c1)NC)C 2230a_100012022893_200000210301 [1,1,0,0,0,0|2,0,0]=4 4912 B11R1.9 CCc1cc(cc(c1)NC)C 34a_100012022893_200000210301 [1,1,0,0,0,0|2,0,0]=4 4913 B11R1.9 CCc1cc(cc(c1)NC)C 7a_100012022893_200000210301 [1,1,0,0,0,0|2,0,0]=4 4914 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 2230a_100010074814_200025704644 [1,1,0,0,0,0|2,0,0]=4 4915 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 34a_100010074814_200025704644 [1,1,0,0,0,0|2,0,0]=4 4916 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 7a_100010074814_200025704644 [1,1,0,0,0,0|2,0,0]=4 4917 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 2230a_100012022893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4918 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 34a_100012022893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4919 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 7a_100012022893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4920 B11R1.9 CCc1cc(cc(c1)SC)N 62a_100010074814_200000210301 [1,1,0,0,0,0|1,1,0]=4 4921 B11R1.9 CCc1cc(cc(c1)SC)N 62a_200000210301_100010074814 [1,1,0,0,0,0|1,1,0]=4 4922 B11R1.9 CCc1cc(cc(c1)S[13CH3])N 62a_100010074814_200025704644 [1,1,0,0,0,0|1,1,0]=4 4923 B11R1.9 CCc1cc(cc(c1)S[13CH3])N 62a_200025704644_100010074814 [1,1,0,0,0,0|1,1,0]=4 4924 B11R1.9 CNc1cc(cc(c1)CO)Cl 2230a_100012002482_200000210301 [1,1,0,0,0,0|1,0,0]=3 4925 B11R1.9 CNc1cc(cc(c1)CO)Cl 34a_100012002482_200000210301 [1,1,0,0,0,0|1,0,0]=3 4926 B11R1.9 CNc1cc(cc(c1)CO)O 2230a_200000124675_200000210301 [1,1,0,0,0,0|1,0,0]=3 4927 B11R1.9 CNc1cc(cc(c1)CO)O 34a_200000124675_200000210301 [1,1,0,0,0,0|1,0,0]=3 4928 B11R1.9 CNc1cc(cc(c1)OC)Br 34a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 4929 B11R1.9 CNc1cc(cc(c1)OC)Br 7a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 4930 B11R1.9 CNc1cc(cc(c1)OC)C 2230a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4931 B11R1.9 CNc1cc(cc(c1)OC)C 34a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4932 B11R1.9 CNc1cc(cc(c1)OC)C 7a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4933 B11R1.9 CNc1cc(cc(c1)OC)Cl 2230a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 4934 B11R1.9 CNc1cc(cc(c1)OC)Cl 34a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 4935 B11R1.9 CNc1cc(cc(c1)OC)Cl 7a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 4936 B11R1.9 CNc1cc(cc(c1)OC)F 2230a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4937 B11R1.9 CNc1cc(cc(c1)OC)F 34a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4938 B11R1.9 CNc1cc(cc(c1)OC)F 7a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4939 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4940 B11R1.9 CNc1cc(cc(n1)CO)C 27a_100102657272_100000725198 [1,1,0,0,0,0|2,0,0]=4 4941 B11R1.9 CNc1cc(nc(c1)CO)C 27a_100102657272_100010178681 [1,1,0,0,0,0|2,0,0]=4 4942 B11R1.9 COc1cc(cc(c1)C#N)Br 34a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 4943 B11R1.9 COc1cc(cc(c1)C#N)Br 7a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 4944 B11R1.9 COc1cc(cc(c1)C#N)C 34a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 4945 B11R1.9 COc1cc(cc(c1)C#N)C 7a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 4946 B11R1.9 COc1cc(cc(c1)C#N)Cl 34a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 4947 B11R1.9 COc1cc(cc(c1)C#N)Cl 7a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 4948 B11R1.9 COc1cc(cc(c1)C#N)F 34a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4949 B11R1.9 COc1cc(cc(c1)C#N)F 7a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4950 B11R1.9 COc1cc(cc(c1)C#N)O 271570a_203496583355_100011934654 [1,1,0,0,0,0|1,0,1]=4 4951 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [1,1,0,0,0,0|0,0,2]=4 4952 B11R1.9 COc1cc(cc(c1)CN)Cl 34a_107254831445_200000210301 [1,1,0,0,0,0|1,0,0]=3 4953 B11R1.9 COc1cc(cc(c1)CN)F 34a_100160469513_200000210301 [1,1,0,0,0,0|1,0,0]=3 4954 B11R1.9 COc1cc(cc(c1)CO)N 34a_200000124675_200000210301 [1,1,0,0,0,0|0,0,0]=2 4955 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [1,1,0,0,0,0|0,0,0]=2 4956 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 34a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 4957 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 7a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 4958 B11R1.9 COc1cc(cc(c1)N[13CH3])C 2230a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4959 B11R1.9 COc1cc(cc(c1)N[13CH3])C 34a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4960 B11R1.9 COc1cc(cc(c1)N[13CH3])C 7a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4961 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 2230a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 4962 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 34a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 4963 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 7a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 4964 B11R1.9 COc1cc(cc(c1)N[13CH3])F 2230a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4965 B11R1.9 COc1cc(cc(c1)N[13CH3])F 34a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4966 B11R1.9 COc1cc(cc(c1)N[13CH3])F 7a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4967 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4968 B11R1.9 COc1cc(cc(c1)OC)Br 34a_100010068927_200000210301 [1,1,0,0,0,0|2,0,0]=4 4969 B11R1.9 COc1cc(cc(c1)OC)Br 7a_100010068927_200000210301 [1,1,0,0,0,0|2,0,0]=4 4970 B11R1.9 COc1cc(cc(c1)OC)C 34a_100011216608_200000210301 [1,1,0,0,0,0|2,0,0]=4 4971 B11R1.9 COc1cc(cc(c1)OC)C 7a_100011216608_200000210301 [1,1,0,0,0,0|2,0,0]=4 4972 B11R1.9 COc1cc(cc(c1)OC)Cl 34a_100000051430_200000210301 [1,1,0,0,0,0|2,0,0]=4 4973 B11R1.9 COc1cc(cc(c1)OC)Cl 7a_100000051430_200000210301 [1,1,0,0,0,0|2,0,0]=4 4974 B11R1.9 COc1cc(cc(c1)OC)F 34a_100011369910_200000210301 [1,1,0,0,0,0|2,0,0]=4 4975 B11R1.9 COc1cc(cc(c1)OC)F 7a_100011369910_200000210301 [1,1,0,0,0,0|2,0,0]=4 4976 B11R1.9 COc1cc(cc(c1)OC)N 34a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4977 B11R1.9 COc1cc(cc(c1)OC)N 7a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4978 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [1,1,0,0,0,0|2,0,0]=4 4979 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 34a_100010068927_200025704644 [1,1,0,0,0,0|2,0,0]=4 4980 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 7a_100010068927_200025704644 [1,1,0,0,0,0|2,0,0]=4 4981 B11R1.9 COc1cc(cc(c1)O[13CH3])C 34a_100011216608_200025704644 [1,1,0,0,0,0|2,0,0]=4 4982 B11R1.9 COc1cc(cc(c1)O[13CH3])C 7a_100011216608_200025704644 [1,1,0,0,0,0|2,0,0]=4 4983 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 34a_100000051430_200025704644 [1,1,0,0,0,0|2,0,0]=4 4984 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 7a_100000051430_200025704644 [1,1,0,0,0,0|2,0,0]=4 4985 B11R1.9 COc1cc(cc(c1)O[13CH3])F 34a_100011369910_200025704644 [1,1,0,0,0,0|2,0,0]=4 4986 B11R1.9 COc1cc(cc(c1)O[13CH3])F 7a_100011369910_200025704644 [1,1,0,0,0,0|2,0,0]=4 4987 B11R1.9 COc1cc(cc(c1)O[13CH3])N 34a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4988 B11R1.9 COc1cc(cc(c1)O[13CH3])N 7a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4989 B11R1.9 COc1cc(cc(c1)SC)Br 62a_100010141301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4990 B11R1.9 COc1cc(cc(c1)SC)Br 62a_200000210301_100010141301 [1,1,0,0,0,0|2,0,0]=4 4991 B11R1.9 COc1cc(cc(c1)SC)C 62a_200000210301_100010187550 [1,1,0,0,0,0|2,0,0]=4 4992 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_100010147680_200000210301 [1,1,0,0,0,0|2,0,0]=4 4993 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_200000210301_100010147680 [1,1,0,0,0,0|2,0,0]=4 4994 B11R1.9 COc1cc(cc(c1)SC)F 62a_100011934182_200000210301 [1,1,0,0,0,0|2,0,0]=4 4995 B11R1.9 COc1cc(cc(c1)SC)F 62a_200000210301_100011934182 [1,1,0,0,0,0|2,0,0]=4 4996 B11R1.9 COc1cc(cc(c1)SC)N 62a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 4997 B11R1.9 COc1cc(cc(c1)SC)N 62a_200000210301_100000750983 [1,1,0,0,0,0|2,0,0]=4 4998 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [1,1,0,0,0,0|2,0,0]=4 4999 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [1,1,0,0,0,0|2,0,0]=4 5000 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_100010141301_200025704644 [1,1,0,0,0,0|2,0,0]=4 5001 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010141301 [1,1,0,0,0,0|2,0,0]=4 5002 B11R1.9 COc1cc(cc(c1)S[13CH3])C 62a_200025704644_100010187550 [1,1,0,0,0,0|2,0,0]=4 5003 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_100010147680_200025704644 [1,1,0,0,0,0|2,0,0]=4 5004 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010147680 [1,1,0,0,0,0|2,0,0]=4 5005 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_100011934182_200025704644 [1,1,0,0,0,0|2,0,0]=4 5006 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011934182 [1,1,0,0,0,0|2,0,0]=4 5007 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 5008 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000750983 [1,1,0,0,0,0|2,0,0]=4 5009 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [1,1,0,0,0,0|2,0,0]=4 5010 B11R1.9 COc1cc(cc(n1)O)CN 271570a_203496583355_100009841630 [1,1,0,0,0,0|2,0,0]=4 5011 B11R1.9 COc1cc(cc(n1)O)CO 271570a_203496583355_200000090696 [1,1,0,0,0,0|1,0,0]=3 5012 B11R1.9 CSc1cc(cc(c1)CN)F 62a_100020611034_200000210301 [1,1,0,0,0,0|1,1,0]=4 5013 B11R1.9 CSc1cc(cc(c1)CN)F 62a_200000210301_100020611034 [1,1,0,0,0,0|1,1,0]=4 5014 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_100009814756_200000210301 [1,1,0,0,0,0|0,1,0]=3 5015 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_200000210301_100009814756 [1,1,0,0,0,0|0,1,0]=3 5016 B11R1.9 CSc1cc(cc(c1)CO)C 62a_100000720511_200000210301 [1,1,0,0,0,0|0,1,0]=3 5017 B11R1.9 CSc1cc(cc(c1)CO)C 62a_200000210301_100000720511 [1,1,0,0,0,0|0,1,0]=3 5018 B11R1.9 CSc1cc(cc(c1)CO)F 62a_100000766897_200000210301 [1,1,0,0,0,0|0,1,0]=3 5019 B11R1.9 CSc1cc(cc(c1)CO)F 62a_200000210301_100000766897 [1,1,0,0,0,0|0,1,0]=3 5020 B11R1.9 CSc1cc(cc(n1)CO)C 62a_100000725198_200000210301 [1,1,0,0,0,0|1,1,0]=4 5021 B11R1.9 CSc1cc(cc(n1)CO)C 62a_200000210301_100000725198 [1,1,0,0,0,0|1,1,0]=4 5022 B11R1.9 CSc1cc(nc(c1)CO)C 62a_100010178681_200000210301 [1,1,0,0,0,0|1,1,0]=4 5023 B11R1.9 CSc1cc(nc(c1)CO)C 62a_200000210301_100010178681 [1,1,0,0,0,0|1,1,0]=4 5024 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 34a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 5025 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 7a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 5026 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_100000720511_200025704644 [1,1,0,0,0,0|0,1,0]=3 5027 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_200025704644_100000720511 [1,1,0,0,0,0|0,1,0]=3 5028 B11R1.9 Cc1cc(cc(n1)CO)S[13CH3] 62a_100010178681_200025704644 [1,1,0,0,0,0|1,1,0]=4 5029 B11R1.9 Cc1cc(cc(n1)CO)S[13CH3] 62a_200025704644_100010178681 [1,1,0,0,0,0|1,1,0]=4 5030 B11R1.9 Cc1cc(nc(c1)S[13CH3])CO 62a_100000725198_200025704644 [1,1,0,0,0,0|1,1,0]=4 5031 B11R1.9 Cc1cc(nc(c1)S[13CH3])CO 62a_200025704644_100000725198 [1,1,0,0,0,0|1,1,0]=4 5032 B11R1.9 OCc1cc(cc(c1)CO)O 271570a_203496583355_100010982946 [1,1,0,0,0,0|2,0,0]=4 5033 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 2230a_100012002482_200025704644 [1,1,0,0,0,0|1,0,0]=3 5034 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 34a_100012002482_200025704644 [1,1,0,0,0,0|1,0,0]=3 5035 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 2230a_200000124675_200025704644 [1,1,0,0,0,0|1,0,0]=3 5036 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 34a_200000124675_200025704644 [1,1,0,0,0,0|1,0,0]=3 5037 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 34a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 5038 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 7a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 5039 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 34a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 5040 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 7a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 5041 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 34a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 5042 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 7a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 5043 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)Cl 34a_107254831445_200025704644 [1,1,0,0,0,0|1,0,0]=3 5044 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)F 34a_100160469513_200025704644 [1,1,0,0,0,0|1,0,0]=3 5045 B11R1.9 [13CH3]Oc1cc(cc(c1)CO)N 34a_200000124675_200025704644 [1,1,0,0,0,0|0,0,0]=2 5046 B11R1.9 [13CH3]Sc1cc(cc(c1)CN)F 62a_100020611034_200025704644 [1,1,0,0,0,0|1,1,0]=4 5047 B11R1.9 [13CH3]Sc1cc(cc(c1)CN)F 62a_200025704644_100020611034 [1,1,0,0,0,0|1,1,0]=4 5048 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_100009814756_200025704644 [1,1,0,0,0,0|0,1,0]=3 5049 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_200025704644_100009814756 [1,1,0,0,0,0|0,1,0]=3 5050 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_100000766897_200025704644 [1,1,0,0,0,0|0,1,0]=3 5051 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_200025704644_100000766897 [1,1,0,0,0,0|0,1,0]=3 5052 B11R1.189 C#Cc1cccc(c1)COC 34a_100010272118_200000210301 [1,1,0,0,0,0|1,0,1]=4 5053 B11R1.189 C#Cc1cccc(c1)COC 7a_100010272118_200000210301 [1,1,0,0,0,0|1,0,1]=4 5054 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 34a_100010272118_200025704644 [1,1,0,0,0,0|1,0,1]=4 5055 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 7a_100010272118_200025704644 [1,1,0,0,0,0|1,0,1]=4 5056 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [1,1,0,0,0,0|1,0,1]=4 5057 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [1,1,0,0,0,0|1,0,1]=4 5058 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [1,1,0,0,0,0|1,0,1]=4 5059 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [1,1,0,0,0,0|1,0,1]=4 5060 B11R1.189 C=C=Cc1cccc(c1)CO 271570a_100015277604_100000687537 [1,1,0,0,0,0|1,0,1]=4 5061 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,1,0,0,0,0|1,0,1]=4 5062 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,1,0,0,0,0|1,1,0]=4 5063 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,1,0,0,0,0|1,1,0]=4 5064 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,1,0,0,0,0|1,1,0]=4 5065 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,1,0,0,0,0|1,1,0]=4 5066 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,1,0,0,0,0|1,0,1]=4 5067 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [1,1,0,0,0,0|1,0,1]=4 5068 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,1,0,0,0,0|1,0,1]=4 5069 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,1,0,0,0,0|1,0,1]=4 5070 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,1,0,0,0,0|1,0,1]=4 5071 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,1,0,0,0,0|1,0,1]=4 5072 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,1,0,0,0,0|1,0,1]=4 5073 B11R1.189 CC=Cc1cc(ccn1)CO 271570a_100016259895_100009814636 [1,1,0,0,0,0|2,0,0]=4 5074 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,1,0,0,0,0|2,0,0]=4 5075 B11R1.189 CC=Cc1cccc(c1)CF 271570a_100016259895_100010878472 [1,1,0,0,0,0|2,0,0]=4 5076 B11R1.189 CC=Cc1cccc(c1)CN 271570a_100016259895_100000106179 [1,1,0,0,0,0|2,0,0]=4 5077 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [1,1,0,0,0,0|1,0,0]=3 5078 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,1,0,0,0,0|1,0,1]=4 5079 B11R1.189 CC=Cc1cccc(n1)CO 271570a_100016259895_100000694195 [1,1,0,0,0,0|2,0,0]=4 5080 B11R1.189 CC=Cc1ccnc(c1)CO 271570a_100016259895_100009819072 [1,1,0,0,0,0|2,0,0]=4 5081 B11R1.189 CC=Cc1cncc(c1)CO 271570a_100016259895_100011259137 [1,1,0,0,0,0|2,0,0]=4 5082 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,1,0,0,0,0|1,0,0]=3 5083 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,1,0,0,0,0|1,0,0]=3 5084 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,1,0,0,0,0|1,0,0]=3 5085 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,1,0,0,0,0|1,0,0]=3 5086 B11R1.189 CCCc1cccc(c1)SC 62a_100000694964_200000210301 [1,1,0,0,0,0|1,1,0]=4 5087 B11R1.189 CCCc1cccc(c1)SC 62a_200000210301_100000694964 [1,1,0,0,0,0|1,1,0]=4 5088 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_100000694964_200025704644 [1,1,0,0,0,0|1,1,0]=4 5089 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_200025704644_100000694964 [1,1,0,0,0,0|1,1,0]=4 5090 B11R1.189 CCNc1cccc(c1)CC 2230a_100000211250_100000210202 [1,1,0,0,0,0|2,0,0]=4 5091 B11R1.189 CCNc1cccc(c1)CC 34a_100000211250_100000210202 [1,1,0,0,0,0|2,0,0]=4 5092 B11R1.189 CCNc1cccc(c1)CC 7a_100000211250_100000210202 [1,1,0,0,0,0|2,0,0]=4 5093 B11R1.189 CCNc1cccc(c1)CF 2230a_100000126320_100000210202 [1,1,0,0,0,0|2,0,0]=4 5094 B11R1.189 CCNc1cccc(c1)CF 34a_100000126320_100000210202 [1,1,0,0,0,0|2,0,0]=4 5095 B11R1.189 CCNc1cccc(c1)CF 7a_100000126320_100000210202 [1,1,0,0,0,0|2,0,0]=4 5096 B11R1.189 CCNc1cccc(c1)CO 2230a_100000211919_100000210202 [1,1,0,0,0,0|1,0,0]=3 5097 B11R1.189 CCNc1cccc(c1)CO 34a_100000211919_100000210202 [1,1,0,0,0,0|1,0,0]=3 5098 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,1,0,0,0,0|1,0,0]=3 5099 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,1,0,0,0,0|1,0,0]=3 5100 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,1,0,0,0,0|1,0,0]=3 5101 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,1,0,0,0,0|1,0,0]=3 5102 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,1,0,0,0,0|1,0,0]=3 5103 B11R1.189 CCNc1cccc(c1)SC 2230a_100000210049_100000210202 [1,1,0,0,0,0|1,1,0]=4 5104 B11R1.189 CCNc1cccc(c1)SC 34a_100000210049_100000210202 [1,1,0,0,0,0|1,1,0]=4 5105 B11R1.189 CCNc1cccc(c1)SC 62a_200000210301_100000738899 [1,1,0,0,0,0|1,1,0]=4 5106 B11R1.189 CCNc1cccc(c1)S[13CH3] 62a_200025704644_100000738899 [1,1,0,0,0,0|1,1,0]=4 5107 B11R1.189 CCNc1ccnc(c1)CO 27a_100015525214_100000748867 [1,1,0,0,0,0|2,0,0]=4 5108 B11R1.189 CCOc1cc(ccn1)CN 34a_100000748557_100000210202 [1,1,0,0,0,0|2,0,0]=4 5109 B11R1.189 CCOc1ccc[n+](c1)CC 34a_100000731997_100000210202 [1,1,0,0,0,0|2,0,0]=4 5110 B11R1.189 CCOc1ccc[n+](c1)CC 7a_100000731997_100000210202 [1,1,0,0,0,0|2,0,0]=4 5111 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 5112 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 5113 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,1,0,0,0,0|1,0,0]=3 5114 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,1,0,0,0,0|1,0,0]=3 5115 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,1,0,0,0,0|1,0,0]=3 5116 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,1,0,0,0,0|1,0,0]=3 5117 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,1,0,0,0,0|1,0,0]=3 5118 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,1,0,0,0,0|1,0,0]=3 5119 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,0]=3 5120 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,1,0,0,0,0|0,0,0]=2 5121 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,1,0,0,0,0|0,0,0]=2 5122 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,1,0,0,0,0|2,0,0]=4 5123 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,1,0,0,0,0|2,0,0]=4 5124 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 5125 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 5126 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,1,0,0,0,0|2,0,0]=4 5127 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,1,0,0,0,0|2,0,0]=4 5128 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,1,0,0,0,0|1,0,0]=3 5129 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,1,0,0,0,0|1,0,0]=3 5130 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,1,0,0,0,0|1,0,0]=3 5131 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,1,0,0,0,0|1,0,0]=3 5132 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,1,0,0,0,0|1,0,0]=3 5133 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,1,0,0,0,0|1,0,0]=3 5134 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,1,0,0,0,0|1,1,0]=4 5135 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,1,0,0,0,0|1,1,0]=4 5136 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,1,0,0,0,0|1,1,0]=4 5137 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,1,0,0,0,0|1,1,0]=4 5138 B11R1.189 CCOc1ccnc(c1)OC 34a_100012181050_100000210202 [1,1,0,0,0,0|2,0,0]=4 5139 B11R1.189 CCOc1cncc(c1)CC 34a_200009861530_100000210202 [1,1,0,0,0,0|2,0,0]=4 5140 B11R1.189 CCOc1cncc(c1)CC 7a_200009861530_100000210202 [1,1,0,0,0,0|2,0,0]=4 5141 B11R1.189 CCOc1cncc(c1)OC 34a_100000084572_100000210202 [1,1,0,0,0,0|2,0,0]=4 5142 B11R1.189 CCOc1cncc(c1)OC 7a_100000084572_100000210202 [1,1,0,0,0,0|2,0,0]=4 5143 B11R1.189 CCSc1cc(ccn1)CO 62a_100000210202_100009814636 [1,1,0,0,0,0|1,1,0]=4 5144 B11R1.189 CCSc1cc(ccn1)CO 62a_100009814636_100000210202 [1,1,0,0,0,0|1,1,0]=4 5145 B11R1.189 CCSc1cc(ccn1)OC 62a_100000210202_100011216251 [1,1,0,0,0,0|2,0,0]=4 5146 B11R1.189 CCSc1cc(ccn1)OC 62a_100009817693_100000210202 [1,1,0,0,0,0|2,0,0]=4 5147 B11R1.189 CCSc1cccc(c1)CC 62a_100000210202_100011263222 [1,1,0,0,0,0|1,1,0]=4 5148 B11R1.189 CCSc1cccc(c1)CC 62a_100011263222_100000210202 [1,1,0,0,0,0|1,1,0]=4 5149 B11R1.189 CCSc1cccc(c1)CF 62a_100000210202_100010878472 [1,1,0,0,0,0|1,1,0]=4 5150 B11R1.189 CCSc1cccc(c1)CF 62a_100010878472_100000210202 [1,1,0,0,0,0|1,1,0]=4 5151 B11R1.189 CCSc1cccc(c1)CN 62a_100000106179_100000210202 [1,1,0,0,0,0|1,1,0]=4 5152 B11R1.189 CCSc1cccc(c1)CN 62a_100000210202_100000106179 [1,1,0,0,0,0|1,1,0]=4 5153 B11R1.189 CCSc1cccc(c1)CO 62a_100000210202_100000687537 [1,1,0,0,0,0|0,1,0]=3 5154 B11R1.189 CCSc1cccc(c1)CO 62a_100000687537_100000210202 [1,1,0,0,0,0|0,1,0]=3 5155 B11R1.189 CCSc1cccc(c1)NC 62a_100000210202_100000219648 [1,1,0,0,0,0|2,0,0]=4 5156 B11R1.189 CCSc1cccc(c1)NC 62a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 5157 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,1,0,0,0,0|1,0,0]=3 5158 B11R1.189 CCSc1cccc(c1)SC 62a_100000210202_100011215954 [1,1,0,0,0,0|1,1,0]=4 5159 B11R1.189 CCSc1cccc(c1)SC 62a_100000703699_200000210301 [1,1,0,0,0,0|1,1,0]=4 5160 B11R1.189 CCSc1cccc(c1)SC 62a_100011215954_100000210202 [1,1,0,0,0,0|1,1,0]=4 5161 B11R1.189 CCSc1cccc(c1)SC 62a_200000210301_100000703699 [1,1,0,0,0,0|1,1,0]=4 5162 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_100000703699_200025704644 [1,1,0,0,0,0|1,1,0]=4 5163 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_200025704644_100000703699 [1,1,0,0,0,0|1,1,0]=4 5164 B11R1.189 CCSc1cccc(n1)CO 62a_100000210202_100000694195 [1,1,0,0,0,0|1,1,0]=4 5165 B11R1.189 CCSc1cccc(n1)CO 62a_100000694195_100000210202 [1,1,0,0,0,0|1,1,0]=4 5166 B11R1.189 CCSc1cccc(n1)OC 62a_100000210202_100000760917 [1,1,0,0,0,0|2,0,0]=4 5167 B11R1.189 CCSc1cccc(n1)OC 62a_100000760917_100000210202 [1,1,0,0,0,0|2,0,0]=4 5168 B11R1.189 CCSc1ccnc(c1)CO 62a_100000210202_100000748867 [1,1,0,0,0,0|1,1,0]=4 5169 B11R1.189 CCSc1ccnc(c1)CO 62a_100000748867_100000210202 [1,1,0,0,0,0|1,1,0]=4 5170 B11R1.189 CCSc1ccnc(c1)OC 62a_100000117307_100000210202 [1,1,0,0,0,0|2,0,0]=4 5171 B11R1.189 CCSc1ccnc(c1)OC 62a_100000210202_100000117307 [1,1,0,0,0,0|2,0,0]=4 5172 B11R1.189 CCSc1cncc(c1)CO 62a_100000210202_100011259137 [1,1,0,0,0,0|1,1,0]=4 5173 B11R1.189 CCSc1cncc(c1)CO 62a_100011259137_100000210202 [1,1,0,0,0,0|1,1,0]=4 5174 B11R1.189 CCSc1cncc(c1)OC 62a_100000050176_100000210202 [1,1,0,0,0,0|2,0,0]=4 5175 B11R1.189 CCSc1cncc(c1)OC 62a_100000210202_100000050176 [1,1,0,0,0,0|2,0,0]=4 5176 B11R1.189 CC[n+]1cccc(c1)OCF 34a_100000731997_100015361967 [1,1,0,0,0,0|2,0,0]=4 5177 B11R1.189 CC[n+]1cccc(c1)OCF 7a_100000731997_100015361967 [1,1,0,0,0,0|2,0,0]=4 5178 B11R1.189 CCc1cccc(c1)CNC 207a_100102657272_100011999841 [1,1,0,0,0,0|2,0,0]=4 5179 B11R1.189 CCc1cccc(c1)CNC 26a_100102657272_100000211550 [1,1,0,0,0,0|2,0,0]=4 5180 B11R1.189 CCc1cccc(c1)CNC 270004a_106832991635_100011999841 [1,1,0,0,0,0|2,0,0]=4 5181 B11R1.189 CCc1cccc(c1)NCF 34a_100000211250_100015361967 [1,1,0,0,0,0|2,0,0]=4 5182 B11R1.189 CCc1cccc(c1)NCF 7a_100000211250_100015361967 [1,1,0,0,0,0|2,0,0]=4 5183 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,1,0,0,0,0|1,0,0]=3 5184 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,1,0,0,0,0|1,0,0]=3 5185 B11R1.189 CCc1cccc(c1)SCF 62a_100011263222_100015361967 [1,1,0,0,0,0|1,1,0]=4 5186 B11R1.189 CCc1cccc(c1)SCF 62a_100015361967_100011263222 [1,1,0,0,0,0|1,1,0]=4 5187 B11R1.189 CCc1cncc(c1)OCF 34a_200009861530_100015361967 [1,1,0,0,0,0|2,0,0]=4 5188 B11R1.189 CCc1cncc(c1)OCF 7a_200009861530_100015361967 [1,1,0,0,0,0|2,0,0]=4 5189 B11R1.189 CNCc1cc(ccn1)OC 207a_100102657272_100000087537 [1,1,0,0,0,0|2,0,0]=4 5190 B11R1.189 CNCc1cc(ccn1)OC 2230a_106832991635_100000752681 [1,1,0,0,0,0|2,0,0]=4 5191 B11R1.189 CNCc1cc(ccn1)OC 270004a_106832991635_100000087537 [1,1,0,0,0,0|2,0,0]=4 5192 B11R1.189 CNCc1cc(ccn1)OC 34a_100102657272_100000752681 [1,1,0,0,0,0|2,0,0]=4 5193 B11R1.189 CNCc1cc(ccn1)OC 7a_106832991635_100000752681 [1,1,0,0,0,0|2,0,0]=4 5194 B11R1.189 CNCc1cccc(c1)CBr 26a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 5195 B11R1.189 CNCc1cccc(c1)CCl 26a_100102657272_100000084143 [1,1,0,0,0,0|2,0,0]=4 5196 B11R1.189 CNCc1cccc(c1)CO 207a_100102657272_200000050894 [1,1,0,0,0,0|1,0,0]=3 5197 B11R1.189 CNCc1cccc(c1)CO 2230a_100011269909_200000210301 [1,1,0,0,0,0|1,0,0]=3 5198 B11R1.189 CNCc1cccc(c1)CO 2230a_106832991635_100010188025 [1,1,0,0,0,0|1,0,0]=3 5199 B11R1.189 CNCc1cccc(c1)CO 26a_100102657272_100011214949 [1,1,0,0,0,0|1,0,0]=3 5200 B11R1.189 CNCc1cccc(c1)CO 270004a_106832991635_200000050894 [1,1,0,0,0,0|1,0,0]=3 5201 B11R1.189 CNCc1cccc(c1)CO 34a_100011269909_200000210301 [1,1,0,0,0,0|1,0,0]=3 5202 B11R1.189 CNCc1cccc(c1)CO 34a_100102657272_100010188025 [1,1,0,0,0,0|1,0,0]=3 5203 B11R1.189 CNCc1cccc(c1)CO 7a_106832991635_100010188025 [1,1,0,0,0,0|1,0,0]=3 5204 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,1,0,0,0,0|1,0,0]=3 5205 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,1,0,0,0,0|1,0,0]=3 5206 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,1,0,0,0,0|1,0,0]=3 5207 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,1,0,0,0,0|1,0,0]=3 5208 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,1,0,0,0,0|1,0,0]=3 5209 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,1,0,0,0,0|1,0,0]=3 5210 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,1,0,0,0,0|1,0,0]=3 5211 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,1,0,0,0,0|1,0,0]=3 5212 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,1,0,0,0,0|1,0,0]=3 5213 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,1,0,0,0,0|1,0,0]=3 5214 B11R1.189 CNCc1cccc(c1)SC 207a_100102657272_100011935093 [1,1,0,0,0,0|1,1,0]=4 5215 B11R1.189 CNCc1cccc(c1)SC 26a_100102657272_100011265683 [1,1,0,0,0,0|1,1,0]=4 5216 B11R1.189 CNCc1cccc(c1)SC 270004a_106832991635_100011935093 [1,1,0,0,0,0|1,1,0]=4 5217 B11R1.189 CNCc1cccc(c1)SC 62a_100000187585_200000210301 [1,1,0,0,0,0|1,1,0]=4 5218 B11R1.189 CNCc1cccc(c1)SC 62a_200000210301_100000187585 [1,1,0,0,0,0|1,1,0]=4 5219 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_100000187585_200025704644 [1,1,0,0,0,0|1,1,0]=4 5220 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187585 [1,1,0,0,0,0|1,1,0]=4 5221 B11R1.189 CNCc1cccc(n1)CO 207a_100102657272_200000070131 [1,1,0,0,0,0|2,0,0]=4 5222 B11R1.189 CNCc1cccc(n1)CO 2230a_106832991635_100009813551 [1,1,0,0,0,0|2,0,0]=4 5223 B11R1.189 CNCc1cccc(n1)CO 270004a_106832991635_200000070131 [1,1,0,0,0,0|2,0,0]=4 5224 B11R1.189 CNCc1cccc(n1)CO 34a_100102657272_100009813551 [1,1,0,0,0,0|2,0,0]=4 5225 B11R1.189 CNCc1cccc(n1)CO 7a_106832991635_100009813551 [1,1,0,0,0,0|2,0,0]=4 5226 B11R1.189 CNCc1cccc(n1)OC 207a_100102657272_100000694346 [1,1,0,0,0,0|2,0,0]=4 5227 B11R1.189 CNCc1cccc(n1)OC 2230a_100000746380_200000210301 [1,1,0,0,0,0|2,0,0]=4 5228 B11R1.189 CNCc1cccc(n1)OC 2230a_106832991635_100000755263 [1,1,0,0,0,0|2,0,0]=4 5229 B11R1.189 CNCc1cccc(n1)OC 270004a_106832991635_100000694346 [1,1,0,0,0,0|2,0,0]=4 5230 B11R1.189 CNCc1cccc(n1)OC 34a_100102657272_100000755263 [1,1,0,0,0,0|2,0,0]=4 5231 B11R1.189 CNCc1cccc(n1)OC 7a_106832991635_100000755263 [1,1,0,0,0,0|2,0,0]=4 5232 B11R1.189 CNCc1ccnc(c1)OC 207a_100102657272_100000050969 [1,1,0,0,0,0|2,0,0]=4 5233 B11R1.189 CNCc1ccnc(c1)OC 2230a_106832991635_100103152439 [1,1,0,0,0,0|2,0,0]=4 5234 B11R1.189 CNCc1ccnc(c1)OC 270004a_106832991635_100000050969 [1,1,0,0,0,0|2,0,0]=4 5235 B11R1.189 CNCc1ccnc(c1)OC 34a_100102657272_100103152439 [1,1,0,0,0,0|2,0,0]=4 5236 B11R1.189 CNCc1ccnc(c1)OC 7a_106832991635_100103152439 [1,1,0,0,0,0|2,0,0]=4 5237 B11R1.189 CNCc1cncc(c1)OC 207a_100102657272_100011361638 [1,1,0,0,0,0|2,0,0]=4 5238 B11R1.189 CNCc1cncc(c1)OC 2230a_100020589029_200000210301 [1,1,0,0,0,0|2,0,0]=4 5239 B11R1.189 CNCc1cncc(c1)OC 270004a_106832991635_100011361638 [1,1,0,0,0,0|2,0,0]=4 5240 B11R1.189 CNCc1cncc(c1)OC 34a_100020589029_200000210301 [1,1,0,0,0,0|2,0,0]=4 5241 B11R1.189 CNc1cccc(c1)CC#N 2230a_100000017804_200000210301 [1,1,0,0,0,0|2,0,0]=4 5242 B11R1.189 CNc1cccc(c1)CC#N 34a_100000017804_200000210301 [1,1,0,0,0,0|2,0,0]=4 5243 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 5244 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 5245 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,1,0,0,0,0|1,0,0]=3 5246 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,1,0,0,0,0|1,0,0]=3 5247 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 5248 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 5249 B11R1.189 CNc1cccc(c1)SCF 62a_100000219648_100015361967 [1,1,0,0,0,0|2,0,0]=4 5250 B11R1.189 CNc1cccc(c1)SCF 62a_100015361967_100000219648 [1,1,0,0,0,0|2,0,0]=4 5251 B11R1.189 COCc1cc(ccn1)CN 34a_100020589248_200000210301 [1,1,0,0,0,0|2,0,0]=4 5252 B11R1.189 COCc1cc(ccn1)OC 34a_100000749536_200000210301 [1,1,0,0,0,0|1,0,0]=3 5253 B11R1.189 COCc1cc(ccn1)OC 34a_100138415774_100000752681 [1,1,0,0,0,0|1,0,0]=3 5254 B11R1.189 COCc1cccc(c1)C#N 34a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 5255 B11R1.189 COCc1cccc(c1)C#N 34a_100138415774_100000233786 [1,1,0,0,0,0|1,0,1]=4 5256 B11R1.189 COCc1cccc(c1)C#N 7a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 5257 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [1,1,0,0,0,0|0,0,2]=4 5258 B11R1.189 COCc1cccc(c1)CBr 34a_100010188025_200000210301 [1,1,0,0,0,0|1,0,0]=3 5259 B11R1.189 COCc1cccc(c1)CBr 7a_100010188025_200000210301 [1,1,0,0,0,0|1,0,0]=3 5260 B11R1.189 COCc1cccc(c1)CCl 34a_200000090956_200000210301 [1,1,0,0,0,0|1,0,0]=3 5261 B11R1.189 COCc1cccc(c1)CCl 7a_200000090956_200000210301 [1,1,0,0,0,0|1,0,0]=3 5262 B11R1.189 COCc1cccc(c1)CN 34a_100011269909_200000210301 [1,1,0,0,0,0|1,0,0]=3 5263 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [1,1,0,0,0,0|0,0,0]=2 5264 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,1,0,0,0,0|1,0,0]=3 5265 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,1,0,0,0,0|1,0,0]=3 5266 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,1,0,0,0,0|0,0,0]=2 5267 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,1,0,0,0,0|0,0,0]=2 5268 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,1,0,0,0,0|0,1,0]=3 5269 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,1,0,0,0,0|0,1,0]=3 5270 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,1,0,0,0,0|0,1,0]=3 5271 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,1,0,0,0,0|0,1,0]=3 5272 B11R1.189 COCc1cccc(n1)CO 34a_100138415774_100009813551 [1,1,0,0,0,0|1,0,0]=3 5273 B11R1.189 COCc1cccc(n1)OC 34a_100138415774_100000755263 [1,1,0,0,0,0|1,0,0]=3 5274 B11R1.189 COCc1ccnc(c1)OC 34a_100138415774_100103152439 [1,1,0,0,0,0|1,0,0]=3 5275 B11R1.189 COCc1cncc(c1)OC 34a_100000732071_200000210301 [1,1,0,0,0,0|1,0,0]=3 5276 B11R1.189 COc1cc(ccn1)CSC 62a_100103152439_200000210301 [1,1,0,0,0,0|1,1,0]=4 5277 B11R1.189 COc1cc(ccn1)CSC 62a_200000210301_100103152439 [1,1,0,0,0,0|1,1,0]=4 5278 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_100103152439_200025704644 [1,1,0,0,0,0|1,1,0]=4 5279 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_200025704644_100103152439 [1,1,0,0,0,0|1,1,0]=4 5280 B11R1.189 COc1cc(ccn1)OCF 34a_100012181050_100015361967 [1,1,0,0,0,0|2,0,0]=4 5281 B11R1.189 COc1cc(ccn1)SCF 62a_100000117307_100015361967 [1,1,0,0,0,0|2,0,0]=4 5282 B11R1.189 COc1cc(ccn1)SCF 62a_100015361967_100000117307 [1,1,0,0,0,0|2,0,0]=4 5283 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,1,0,0,0,0|1,0,0]=3 5284 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,1,0,0,0,0|1,0,0]=3 5285 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,1,0,0,0,0|0,0,0]=2 5286 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,1,0,0,0,0|0,0,0]=2 5287 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,1,0,0,0,0|1,0,0]=3 5288 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,1,0,0,0,0|1,0,0]=3 5289 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,1,0,0,0,0|1,0,0]=3 5290 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,1,0,0,0,0|0,0,0]=2 5291 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,1,0,0,0,0|0,1,0]=3 5292 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,1,0,0,0,0|0,1,0]=3 5293 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,1,0,0,0,0|0,1,0]=3 5294 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,1,0,0,0,0|0,1,0]=3 5295 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,1,0,0,0,0|1,0,0]=3 5296 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,1,0,0,0,0|1,0,0]=3 5297 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,1,0,0,0,0|1,0,0]=3 5298 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,1,0,0,0,0|1,0,0]=3 5299 B11R1.189 COc1cccc(n1)CN[13CH3] 2230a_100000746380_200025704644 [1,1,0,0,0,0|2,0,0]=4 5300 B11R1.189 COc1cccc(n1)CSC 62a_100000755263_200000210301 [1,1,0,0,0,0|1,1,0]=4 5301 B11R1.189 COc1cccc(n1)CSC 62a_200000210301_100000755263 [1,1,0,0,0,0|1,1,0]=4 5302 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_100000755263_200025704644 [1,1,0,0,0,0|1,1,0]=4 5303 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_200025704644_100000755263 [1,1,0,0,0,0|1,1,0]=4 5304 B11R1.189 COc1cccc(n1)SCF 62a_100000760917_100015361967 [1,1,0,0,0,0|2,0,0]=4 5305 B11R1.189 COc1cccc(n1)SCF 62a_100015361967_100000760917 [1,1,0,0,0,0|2,0,0]=4 5306 B11R1.189 COc1ccnc(c1)CO[13CH3] 34a_100000749536_200025704644 [1,1,0,0,0,0|1,0,0]=3 5307 B11R1.189 COc1ccnc(c1)CSC 62a_100000752681_200000210301 [1,1,0,0,0,0|1,1,0]=4 5308 B11R1.189 COc1ccnc(c1)CSC 62a_200000210301_100000752681 [1,1,0,0,0,0|1,1,0]=4 5309 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_100000752681_200025704644 [1,1,0,0,0,0|1,1,0]=4 5310 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_200025704644_100000752681 [1,1,0,0,0,0|1,1,0]=4 5311 B11R1.189 COc1ccnc(c1)SCF 62a_100009817693_100015361967 [1,1,0,0,0,0|2,0,0]=4 5312 B11R1.189 COc1ccnc(c1)SCF 62a_100015361967_100011216251 [1,1,0,0,0,0|2,0,0]=4 5313 B11R1.189 COc1cncc(c1)CN[13CH3] 2230a_100020589029_200025704644 [1,1,0,0,0,0|2,0,0]=4 5314 B11R1.189 COc1cncc(c1)CN[13CH3] 34a_100020589029_200025704644 [1,1,0,0,0,0|2,0,0]=4 5315 B11R1.189 COc1cncc(c1)CO[13CH3] 34a_100000732071_200025704644 [1,1,0,0,0,0|1,0,0]=3 5316 B11R1.189 COc1cncc(c1)OCF 34a_100000084572_100015361967 [1,1,0,0,0,0|2,0,0]=4 5317 B11R1.189 COc1cncc(c1)OCF 7a_100000084572_100015361967 [1,1,0,0,0,0|2,0,0]=4 5318 B11R1.189 COc1cncc(c1)SCF 62a_100000050176_100015361967 [1,1,0,0,0,0|2,0,0]=4 5319 B11R1.189 COc1cncc(c1)SCF 62a_100015361967_100000050176 [1,1,0,0,0,0|2,0,0]=4 5320 B11R1.189 CSCc1cccc(c1)CO 62a_100010188025_200000210301 [1,1,0,0,0,0|0,1,0]=3 5321 B11R1.189 CSCc1cccc(c1)CO 62a_200000210301_100010188025 [1,1,0,0,0,0|0,1,0]=3 5322 B11R1.189 CSCc1cccc(n1)CO 62a_100009813551_200000210301 [1,1,0,0,0,0|1,1,0]=4 5323 B11R1.189 CSCc1cccc(n1)CO 62a_200000210301_100009813551 [1,1,0,0,0,0|1,1,0]=4 5324 B11R1.189 CSc1cccc(c1)CC#N 62a_100000034040_200000210301 [1,1,0,0,0,0|1,1,0]=4 5325 B11R1.189 CSc1cccc(c1)CC#N 62a_200000210301_100000034040 [1,1,0,0,0,0|1,1,0]=4 5326 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,1,0,0,0,0|0,1,1]=4 5327 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,1,0,0,0,0|0,1,1]=4 5328 B11R1.189 CSc1cccc(c1)CCN 62a_100011207229_200000210301 [1,1,0,0,0,0|1,1,0]=4 5329 B11R1.189 CSc1cccc(c1)CCN 62a_200000210301_100011207229 [1,1,0,0,0,0|1,1,0]=4 5330 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [1,1,0,0,0,0|0,1,0]=3 5331 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [1,1,0,0,0,0|0,1,0]=3 5332 B11R1.189 CSc1cccc(c1)CNN 62a_100000686200_200000210301 [1,1,0,0,0,0|1,1,0]=4 5333 B11R1.189 CSc1cccc(c1)CNN 62a_200000210301_100000686200 [1,1,0,0,0,0|1,1,0]=4 5334 B11R1.189 CSc1cccc(c1)NCF 34a_100000210049_100015361967 [1,1,0,0,0,0|1,1,0]=4 5335 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,1,0,0,0,0|1,1,0]=4 5336 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,1,0,0,0,0|1,1,0]=4 5337 B11R1.189 CSc1cccc(c1)SCF 62a_100011215954_100015361967 [1,1,0,0,0,0|1,1,0]=4 5338 B11R1.189 CSc1cccc(c1)SCF 62a_100015361967_100011215954 [1,1,0,0,0,0|1,1,0]=4 5339 B11R1.189 CSc1cccc(n1)CCO 62a_100010221043_200000210301 [1,1,0,0,0,0|1,1,0]=4 5340 B11R1.189 CSc1cccc(n1)CCO 62a_200000210301_100010221043 [1,1,0,0,0,0|1,1,0]=4 5341 B11R1.189 FCNc1cccc(c1)CF 34a_100000126320_100015361967 [1,1,0,0,0,0|2,0,0]=4 5342 B11R1.189 FCNc1cccc(c1)CF 7a_100000126320_100015361967 [1,1,0,0,0,0|2,0,0]=4 5343 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,1,0,0,0,0|1,0,0]=3 5344 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,1,0,0,0,0|1,0,0]=3 5345 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,1,0,0,0,0|1,0,0]=3 5346 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,1,0,0,0,0|1,0,0]=3 5347 B11R1.189 FCSc1cccc(c1)CF 62a_100010878472_100015361967 [1,1,0,0,0,0|1,1,0]=4 5348 B11R1.189 FCSc1cccc(c1)CF 62a_100015361967_100010878472 [1,1,0,0,0,0|1,1,0]=4 5349 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 5350 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 5351 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,1,0,0,0,0|1,0,0]=3 5352 B11R1.189 NCc1cccc(c1)SCF 62a_100000106179_100015361967 [1,1,0,0,0,0|1,1,0]=4 5353 B11R1.189 NCc1cccc(c1)SCF 62a_100015361967_100000106179 [1,1,0,0,0,0|1,1,0]=4 5354 B11R1.189 NCc1ccnc(c1)OCF 34a_100000748557_100015361967 [1,1,0,0,0,0|2,0,0]=4 5355 B11R1.189 OCc1cc(ccn1)SCF 62a_100000748867_100015361967 [1,1,0,0,0,0|1,1,0]=4 5356 B11R1.189 OCc1cc(ccn1)SCF 62a_100015361967_100000748867 [1,1,0,0,0,0|1,1,0]=4 5357 B11R1.189 OCc1cccc(c1)NCF 34a_100000211919_100015361967 [1,1,0,0,0,0|1,0,0]=3 5358 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,1,0,0,0,0|0,0,0]=2 5359 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,1,0,0,0,0|0,0,0]=2 5360 B11R1.189 OCc1cccc(c1)SCF 62a_100000687537_100015361967 [1,1,0,0,0,0|0,1,0]=3 5361 B11R1.189 OCc1cccc(c1)SCF 62a_100015361967_100000687537 [1,1,0,0,0,0|0,1,0]=3 5362 B11R1.189 OCc1cccc(n1)SCF 62a_100000694195_100015361967 [1,1,0,0,0,0|1,1,0]=4 5363 B11R1.189 OCc1cccc(n1)SCF 62a_100015361967_100000694195 [1,1,0,0,0,0|1,1,0]=4 5364 B11R1.189 OCc1ccnc(c1)SCF 62a_100009814636_100015361967 [1,1,0,0,0,0|1,1,0]=4 5365 B11R1.189 OCc1ccnc(c1)SCF 62a_100015361967_100009814636 [1,1,0,0,0,0|1,1,0]=4 5366 B11R1.189 OCc1cncc(c1)SCF 62a_100011259137_100015361967 [1,1,0,0,0,0|1,1,0]=4 5367 B11R1.189 OCc1cncc(c1)SCF 62a_100015361967_100011259137 [1,1,0,0,0,0|1,1,0]=4 5368 B11R1.189 [13CH3]NCc1cccc(c1)CO 2230a_100011269909_200025704644 [1,1,0,0,0,0|1,0,0]=3 5369 B11R1.189 [13CH3]NCc1cccc(c1)CO 34a_100011269909_200025704644 [1,1,0,0,0,0|1,0,0]=3 5370 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 2230a_100000017804_200025704644 [1,1,0,0,0,0|2,0,0]=4 5371 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 34a_100000017804_200025704644 [1,1,0,0,0,0|2,0,0]=4 5372 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 5373 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 5374 B11R1.189 [13CH3]OCc1cc(ccn1)CN 34a_100020589248_200025704644 [1,1,0,0,0,0|2,0,0]=4 5375 B11R1.189 [13CH3]OCc1cccc(c1)C#N 34a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 5376 B11R1.189 [13CH3]OCc1cccc(c1)C#N 7a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 5377 B11R1.189 [13CH3]OCc1cccc(c1)CBr 34a_100010188025_200025704644 [1,1,0,0,0,0|1,0,0]=3 5378 B11R1.189 [13CH3]OCc1cccc(c1)CBr 7a_100010188025_200025704644 [1,1,0,0,0,0|1,0,0]=3 5379 B11R1.189 [13CH3]OCc1cccc(c1)CCl 34a_200000090956_200025704644 [1,1,0,0,0,0|1,0,0]=3 5380 B11R1.189 [13CH3]OCc1cccc(c1)CCl 7a_200000090956_200025704644 [1,1,0,0,0,0|1,0,0]=3 5381 B11R1.189 [13CH3]OCc1cccc(c1)CN 34a_100011269909_200025704644 [1,1,0,0,0,0|1,0,0]=3 5382 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,1,0,0,0,0|1,0,0]=3 5383 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,1,0,0,0,0|1,0,0]=3 5384 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,1,0,0,0,0|0,0,0]=2 5385 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,1,0,0,0,0|0,0,0]=2 5386 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,1,0,0,0,0|1,0,0]=3 5387 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_100010188025_200025704644 [1,1,0,0,0,0|0,1,0]=3 5388 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_200025704644_100010188025 [1,1,0,0,0,0|0,1,0]=3 5389 B11R1.189 [13CH3]SCc1cccc(n1)CO 62a_100009813551_200025704644 [1,1,0,0,0,0|1,1,0]=4 5390 B11R1.189 [13CH3]SCc1cccc(n1)CO 62a_200025704644_100009813551 [1,1,0,0,0,0|1,1,0]=4 5391 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_100000034040_200025704644 [1,1,0,0,0,0|1,1,0]=4 5392 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_200025704644_100000034040 [1,1,0,0,0,0|1,1,0]=4 5393 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,1,0,0,0,0|0,1,1]=4 5394 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,1,0,0,0,0|0,1,1]=4 5395 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_100011207229_200025704644 [1,1,0,0,0,0|1,1,0]=4 5396 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_200025704644_100011207229 [1,1,0,0,0,0|1,1,0]=4 5397 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [1,1,0,0,0,0|0,1,0]=3 5398 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [1,1,0,0,0,0|0,1,0]=3 5399 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_100000686200_200025704644 [1,1,0,0,0,0|1,1,0]=4 5400 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_200025704644_100000686200 [1,1,0,0,0,0|1,1,0]=4 5401 B11R1.189 [13CH3]Sc1cccc(n1)CCO 62a_100010221043_200025704644 [1,1,0,0,0,0|1,1,0]=4 5402 B11R1.189 [13CH3]Sc1cccc(n1)CCO 62a_200025704644_100010221043 [1,1,0,0,0,0|1,1,0]=4 5403 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [1,1,0,0,0,0|2,0,0]=4 5404 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [1,1,0,0,0,0|2,0,0]=4 5405 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [1,1,0,0,0,0|2,0,0]=4 5406 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [1,1,0,0,0,0|2,0,0]=4 5407 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [1,1,0,0,0,0|1,0,0]=3 5408 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [1,1,0,0,0,0|1,0,1]=4 5409 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [1,1,0,0,0,0|2,0,0]=4 5410 B11R1.266 C=C(C)c1ccnc(c1)CO 271570a_100000694244_100009819072 [1,1,0,0,0,0|2,0,0]=4 5411 B11R1.266 C=C(C)c1cncc(c1)CO 271570a_100000694244_100011259137 [1,1,0,0,0,0|2,0,0]=4 5412 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [1,1,0,0,0,0|1,0,1]=4 5413 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|1,0,0]=3 5414 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|0,0,2]=4 5415 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|0,0,2]=4 5416 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [1,1,0,0,0,0|2,0,0]=4 5417 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [1,1,0,0,0,0|2,0,0]=4 5418 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [1,1,0,0,0,0|2,0,0]=4 5419 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [1,1,0,0,0,0|1,0,0]=3 5420 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [1,1,0,0,0,0|1,0,0]=3 5421 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [1,1,0,0,0,0|1,1,0]=4 5422 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [1,1,0,0,0,0|1,1,0]=4 5423 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [1,1,0,0,0,0|1,0,0]=3 5424 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [1,1,0,0,0,0|1,0,0]=3 5425 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_100020642005_200025704644 [1,1,0,0,0,0|1,1,0]=4 5426 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020642005 [1,1,0,0,0,0|1,1,0]=4 5427 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_100000144657_200025704644 [1,1,0,0,0,0|1,1,0]=4 5428 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000144657 [1,1,0,0,0,0|1,1,0]=4 5429 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [1,1,0,0,0,0|1,0,0]=3 5430 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [1,1,0,0,0,0|1,0,0]=3 5431 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [1,1,0,0,0,0|0,0,0]=2 5432 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [1,1,0,0,0,0|0,0,0]=2 5433 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [1,1,0,0,0,0|0,1,0]=3 5434 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [1,1,0,0,0,0|0,1,0]=3 5435 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_100009820884_200025704644 [1,1,0,0,0,0|1,1,0]=4 5436 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_200025704644_100009820884 [1,1,0,0,0,0|1,1,0]=4 5437 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_100012351597_200025704644 [1,1,0,0,0,0|1,1,0]=4 5438 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_200025704644_100012351597 [1,1,0,0,0,0|1,1,0]=4 5439 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|2,0,0]=4 5440 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|2,0,0]=4 5441 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [1,1,0,0,0,0|2,0,0]=4 5442 B11R1.266 CN(C)c1ccnc(c1)CO 27a_100102631434_100000748867 [1,1,0,0,0,0|2,0,0]=4 5443 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [1,1,0,0,0,0|2,0,0]=4 5444 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [1,1,0,0,0,0|2,0,0]=4 5445 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [1,1,0,0,0,0|2,0,0]=4 5446 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [1,1,0,0,0,0|1,0,0]=3 5447 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [1,1,0,0,0,0|1,0,0]=3 5448 B11R1.266 CNc1cccc(c1)C(F)F 2230a_100000058342_200000210301 [1,1,0,0,0,0|2,0,0]=4 5449 B11R1.266 CNc1cccc(c1)C(F)F 34a_100000058342_200000210301 [1,1,0,0,0,0|2,0,0]=4 5450 B11R1.266 CNc1cccc(c1)C(F)F 7a_100000058342_200000210301 [1,1,0,0,0,0|2,0,0]=4 5451 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [1,1,0,0,0,0|2,0,0]=4 5452 B11R1.266 CNc1ccnc(c1)C(C)O 27a_100102657272_100000144657 [1,1,0,0,0,0|2,0,0]=4 5453 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|0,0,2]=4 5454 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|0,0,2]=4 5455 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|0,0,2]=4 5456 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|0,0,2]=4 5457 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|0,0,2]=4 5458 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|0,0,2]=4 5459 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [1,1,0,0,0,0|0,1,1]=4 5460 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [1,1,0,0,0,0|1,0,0]=3 5461 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [1,1,0,0,0,0|1,0,0]=3 5462 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [1,1,0,0,0,0|1,0,0]=3 5463 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [1,1,0,0,0,0|1,0,0]=3 5464 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [1,1,0,0,0,0|0,0,0]=2 5465 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [1,1,0,0,0,0|0,0,0]=2 5466 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [1,1,0,0,0,0|2,0,0]=4 5467 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [1,1,0,0,0,0|2,0,0]=4 5468 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [1,1,0,0,0,0|2,0,0]=4 5469 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [1,1,0,0,0,0|2,0,0]=4 5470 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [1,1,0,0,0,0|2,0,0]=4 5471 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [1,1,0,0,0,0|2,0,0]=4 5472 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [1,1,0,0,0,0|2,0,0]=4 5473 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|1,0,1]=4 5474 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|1,0,1]=4 5475 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [1,1,0,0,0,0|1,1,0]=4 5476 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [1,1,0,0,0,0|1,1,0]=4 5477 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [1,1,0,0,0,0|1,1,0]=4 5478 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [1,1,0,0,0,0|1,1,0]=4 5479 B11R1.266 CSc1cccc(c1)C(C)N 62a_100020642005_200000210301 [1,1,0,0,0,0|1,1,0]=4 5480 B11R1.266 CSc1cccc(c1)C(C)N 62a_200000210301_100020642005 [1,1,0,0,0,0|1,1,0]=4 5481 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [1,1,0,0,0,0|0,1,0]=3 5482 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [1,1,0,0,0,0|0,1,0]=3 5483 B11R1.266 CSc1cccc(c1)C(F)F 62a_100009892619_200000210301 [1,1,0,0,0,0|1,1,0]=4 5484 B11R1.266 CSc1cccc(c1)C(F)F 62a_200000210301_100009892619 [1,1,0,0,0,0|1,1,0]=4 5485 B11R1.266 CSc1cccc(n1)C(C)O 62a_100009820884_200000210301 [1,1,0,0,0,0|1,1,0]=4 5486 B11R1.266 CSc1cccc(n1)C(C)O 62a_200000210301_100009820884 [1,1,0,0,0,0|1,1,0]=4 5487 B11R1.266 CSc1ccnc(c1)C(C)O 62a_100000144657_200000210301 [1,1,0,0,0,0|1,1,0]=4 5488 B11R1.266 CSc1ccnc(c1)C(C)O 62a_200000210301_100000144657 [1,1,0,0,0,0|1,1,0]=4 5489 B11R1.266 CSc1cncc(c1)C(C)O 62a_100012351597_200000210301 [1,1,0,0,0,0|1,1,0]=4 5490 B11R1.266 CSc1cncc(c1)C(C)O 62a_200000210301_100012351597 [1,1,0,0,0,0|1,1,0]=4 5491 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|1,0,0]=3 5492 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 2230a_100000058342_200025704644 [1,1,0,0,0,0|2,0,0]=4 5493 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 34a_100000058342_200025704644 [1,1,0,0,0,0|2,0,0]=4 5494 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 7a_100000058342_200025704644 [1,1,0,0,0,0|2,0,0]=4 5495 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|0,0,2]=4 5496 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|0,0,2]=4 5497 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [1,1,0,0,0,0|0,1,1]=4 5498 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|1,0,1]=4 5499 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|1,0,1]=4 5500 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [1,1,0,0,0,0|1,1,0]=4 5501 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [1,1,0,0,0,0|1,1,0]=4 5502 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_100009892619_200025704644 [1,1,0,0,0,0|1,1,0]=4 5503 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_200025704644_100009892619 [1,1,0,0,0,0|1,1,0]=4 5504 B11R1.267 C=Cc1cccc(c1Br)CO 271570a_100011290941_100010240205 [1,1,0,0,0,0|1,0,1]=4 5505 B11R1.267 C=Cc1cccc(c1C)CO 271570a_100011290941_100000694458 [1,1,0,0,0,0|1,0,1]=4 5506 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [1,1,0,0,0,0|1,0,1]=4 5507 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [1,1,0,0,0,0|1,0,1]=4 5508 B11R1.267 C=Cc1cccc(c1F)CO 271570a_100011290941_100011935076 [1,1,0,0,0,0|1,0,1]=4 5509 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [1,1,0,0,0,0|1,0,1]=4 5510 B11R1.267 C=Cc1cccc(c1N)CO 271570a_100011290941_100012349457 [1,1,0,0,0,0|1,0,1]=4 5511 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [1,1,0,0,0,0|1,0,1]=4 5512 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [1,1,0,0,0,0|1,0,1]=4 5513 B11R1.267 CCc1cccc(c1O)CC 271570a_203496583355_100010212195 [1,1,0,0,0,0|2,0,0]=4 5514 B11R1.267 CCc1cccc(c1O)SC 62a_200000210301_200010001580 [1,1,0,0,0,0|1,1,0]=4 5515 B11R1.267 CCc1cccc(c1O)SC 62a_200010001580_200000210301 [1,1,0,0,0,0|1,1,0]=4 5516 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200010001580_200025704644 [1,1,0,0,0,0|1,1,0]=4 5517 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200025704644_200010001580 [1,1,0,0,0,0|1,1,0]=4 5518 B11R1.267 CNc1cccc(c1Br)OC 34a_100000703447_200000210301 [1,1,0,0,0,0|2,0,0]=4 5519 B11R1.267 CNc1cccc(c1C)CO 2230a_102495339961_200000210301 [1,1,0,0,0,0|1,0,0]=3 5520 B11R1.267 CNc1cccc(c1C)CO 34a_102495339961_200000210301 [1,1,0,0,0,0|1,0,0]=3 5521 B11R1.267 CNc1cccc(c1C)OC 34a_100011244893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5522 B11R1.267 CNc1cccc(c1C)OC 7a_100011244893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5523 B11R1.267 CNc1cccc(c1Cl)OC 34a_100000089720_200000210301 [1,1,0,0,0,0|2,0,0]=4 5524 B11R1.267 CNc1cccc(c1F)CO 34a_100012023829_200000210301 [1,1,0,0,0,0|1,0,0]=3 5525 B11R1.267 CNc1cccc(c1F)OC 34a_100000100910_200000210301 [1,1,0,0,0,0|2,0,0]=4 5526 B11R1.267 CNc1cccc(c1I)OC 34a_100010245509_200000210301 [1,1,0,0,0,0|2,0,0]=4 5527 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [1,1,0,0,0,0|2,0,0]=4 5528 B11R1.267 COc1cccc(c1Br)C#N 34a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 5529 B11R1.267 COc1cccc(c1Br)C#N 7a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 5530 B11R1.267 COc1cccc(c1Br)N[13CH3] 34a_100000703447_200025704644 [1,1,0,0,0,0|2,0,0]=4 5531 B11R1.267 COc1cccc(c1Br)OC 34a_100010202623_200000210301 [1,1,0,0,0,0|2,0,0]=4 5532 B11R1.267 COc1cccc(c1Br)OC 7a_100010202623_200000210301 [1,1,0,0,0,0|2,0,0]=4 5533 B11R1.267 COc1cccc(c1Br)O[13CH3] 34a_100010202623_200025704644 [1,1,0,0,0,0|2,0,0]=4 5534 B11R1.267 COc1cccc(c1Br)O[13CH3] 7a_100010202623_200025704644 [1,1,0,0,0,0|2,0,0]=4 5535 B11R1.267 COc1cccc(c1Br)SC 62a_100010146559_200000210301 [1,1,0,0,0,0|2,0,0]=4 5536 B11R1.267 COc1cccc(c1Br)SC 62a_200000210301_100010146559 [1,1,0,0,0,0|2,0,0]=4 5537 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_100010146559_200025704644 [1,1,0,0,0,0|2,0,0]=4 5538 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_200025704644_100010146559 [1,1,0,0,0,0|2,0,0]=4 5539 B11R1.267 COc1cccc(c1C)C#N 34a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 5540 B11R1.267 COc1cccc(c1C)C#N 7a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 5541 B11R1.267 COc1cccc(c1C)CO 34a_200000084602_200000210301 [1,1,0,0,0,0|0,0,0]=2 5542 B11R1.267 COc1cccc(c1C)CO 7a_200000084602_200000210301 [1,1,0,0,0,0|0,0,0]=2 5543 B11R1.267 COc1cccc(c1C)N[13CH3] 34a_100011244893_200025704644 [1,1,0,0,0,0|2,0,0]=4 5544 B11R1.267 COc1cccc(c1C)N[13CH3] 7a_100011244893_200025704644 [1,1,0,0,0,0|2,0,0]=4 5545 B11R1.267 COc1cccc(c1C)SC 62a_100010002647_200000210301 [1,1,0,0,0,0|2,0,0]=4 5546 B11R1.267 COc1cccc(c1C)SC 62a_200000210301_100010002647 [1,1,0,0,0,0|2,0,0]=4 5547 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_100010002647_200025704644 [1,1,0,0,0,0|2,0,0]=4 5548 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_200025704644_100010002647 [1,1,0,0,0,0|2,0,0]=4 5549 B11R1.267 COc1cccc(c1Cl)C#N 34a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 5550 B11R1.267 COc1cccc(c1Cl)C#N 7a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 5551 B11R1.267 COc1cccc(c1Cl)N[13CH3] 34a_100000089720_200025704644 [1,1,0,0,0,0|2,0,0]=4 5552 B11R1.267 COc1cccc(c1Cl)OC 34a_100000087810_200000210301 [1,1,0,0,0,0|2,0,0]=4 5553 B11R1.267 COc1cccc(c1Cl)OC 7a_100000087810_200000210301 [1,1,0,0,0,0|2,0,0]=4 5554 B11R1.267 COc1cccc(c1Cl)O[13CH3] 34a_100000087810_200025704644 [1,1,0,0,0,0|2,0,0]=4 5555 B11R1.267 COc1cccc(c1Cl)O[13CH3] 7a_100000087810_200025704644 [1,1,0,0,0,0|2,0,0]=4 5556 B11R1.267 COc1cccc(c1Cl)SC 62a_100010147677_200000210301 [1,1,0,0,0,0|2,0,0]=4 5557 B11R1.267 COc1cccc(c1Cl)SC 62a_200000210301_100010147677 [1,1,0,0,0,0|2,0,0]=4 5558 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_100010147677_200025704644 [1,1,0,0,0,0|2,0,0]=4 5559 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_200025704644_100010147677 [1,1,0,0,0,0|2,0,0]=4 5560 B11R1.267 COc1cccc(c1F)C#N 34a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 5561 B11R1.267 COc1cccc(c1F)C#N 7a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 5562 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [1,1,0,0,0,0|1,0,0]=3 5563 B11R1.267 COc1cccc(c1F)N[13CH3] 34a_100000100910_200025704644 [1,1,0,0,0,0|2,0,0]=4 5564 B11R1.267 COc1cccc(c1F)OC 34a_100000102366_200000210301 [1,1,0,0,0,0|2,0,0]=4 5565 B11R1.267 COc1cccc(c1F)OC 7a_100000102366_200000210301 [1,1,0,0,0,0|2,0,0]=4 5566 B11R1.267 COc1cccc(c1F)O[13CH3] 34a_100000102366_200025704644 [1,1,0,0,0,0|2,0,0]=4 5567 B11R1.267 COc1cccc(c1F)O[13CH3] 7a_100000102366_200025704644 [1,1,0,0,0,0|2,0,0]=4 5568 B11R1.267 COc1cccc(c1F)SC 62a_100010185846_200000210301 [1,1,0,0,0,0|2,0,0]=4 5569 B11R1.267 COc1cccc(c1F)SC 62a_200000210301_100010185846 [1,1,0,0,0,0|2,0,0]=4 5570 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_100010185846_200025704644 [1,1,0,0,0,0|2,0,0]=4 5571 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_200025704644_100010185846 [1,1,0,0,0,0|2,0,0]=4 5572 B11R1.267 COc1cccc(c1I)N[13CH3] 34a_100010245509_200025704644 [1,1,0,0,0,0|2,0,0]=4 5573 B11R1.267 COc1cccc(c1I)OC 34a_200010201982_200000210301 [1,1,0,0,0,0|2,0,0]=4 5574 B11R1.267 COc1cccc(c1I)OC 7a_200010201982_200000210301 [1,1,0,0,0,0|2,0,0]=4 5575 B11R1.267 COc1cccc(c1I)O[13CH3] 34a_200010201982_200025704644 [1,1,0,0,0,0|2,0,0]=4 5576 B11R1.267 COc1cccc(c1I)O[13CH3] 7a_200010201982_200025704644 [1,1,0,0,0,0|2,0,0]=4 5577 B11R1.267 COc1cccc(c1N)OC 34a_100012022766_200000210301 [1,1,0,0,0,0|2,0,0]=4 5578 B11R1.267 COc1cccc(c1N)OC 7a_100012022766_200000210301 [1,1,0,0,0,0|2,0,0]=4 5579 B11R1.267 COc1cccc(c1N)O[13CH3] 34a_100012022766_200025704644 [1,1,0,0,0,0|2,0,0]=4 5580 B11R1.267 COc1cccc(c1N)O[13CH3] 7a_100012022766_200025704644 [1,1,0,0,0,0|2,0,0]=4 5581 B11R1.267 COc1cccc(c1N)SC 62a_100000708083_200000210301 [1,1,0,0,0,0|2,0,0]=4 5582 B11R1.267 COc1cccc(c1N)S[13CH3] 62a_100000708083_200025704644 [1,1,0,0,0,0|2,0,0]=4 5583 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [1,1,0,0,0,0|0,0,0]=2 5584 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [1,1,0,0,0,0|2,0,0]=4 5585 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [1,1,0,0,0,0|2,0,0]=4 5586 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [1,1,0,0,0,0|2,0,0]=4 5587 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [1,1,0,0,0,0|2,0,0]=4 5588 B11R1.267 CSc1cccc(c1Br)CO 62a_100010240205_200000210301 [1,1,0,0,0,0|0,1,0]=3 5589 B11R1.267 CSc1cccc(c1Br)CO 62a_200000210301_100010240205 [1,1,0,0,0,0|0,1,0]=3 5590 B11R1.267 CSc1cccc(c1C)CN 62a_100000724210_200000210301 [1,1,0,0,0,0|1,1,0]=4 5591 B11R1.267 CSc1cccc(c1C)CN 62a_200000210301_100000724210 [1,1,0,0,0,0|1,1,0]=4 5592 B11R1.267 CSc1cccc(c1C)CO 62a_100000694458_200000210301 [1,1,0,0,0,0|0,1,0]=3 5593 B11R1.267 CSc1cccc(c1C)CO 62a_200000210301_100000694458 [1,1,0,0,0,0|0,1,0]=3 5594 B11R1.267 CSc1cccc(c1F)CN 62a_100015189953_200000210301 [1,1,0,0,0,0|1,1,0]=4 5595 B11R1.267 CSc1cccc(c1F)CN 62a_200000210301_100015189953 [1,1,0,0,0,0|1,1,0]=4 5596 B11R1.267 CSc1cccc(c1F)CO 62a_100011935076_200000210301 [1,1,0,0,0,0|0,1,0]=3 5597 B11R1.267 CSc1cccc(c1F)CO 62a_200000210301_100011935076 [1,1,0,0,0,0|0,1,0]=3 5598 B11R1.267 CSc1cccc(c1N)CO 62a_100012349457_200000210301 [1,1,0,0,0,0|0,1,0]=3 5599 B11R1.267 CSc1cccc(c1N)CO 62a_200000210301_100012349457 [1,1,0,0,0,0|0,1,0]=3 5600 B11R1.267 CSc1cncc(c1N)CO 62a_200000210301_200010988789 [1,1,0,0,0,0|1,1,0]=4 5601 B11R1.267 CSc1cncc(c1N)CO 62a_200010988789_200000210301 [1,1,0,0,0,0|1,1,0]=4 5602 B11R1.267 CSc1nccc(c1F)CO 62a_100000101314_200000210301 [1,1,0,0,0,0|1,1,0]=4 5603 B11R1.267 CSc1nccc(c1F)CO 62a_200000210301_100000101314 [1,1,0,0,0,0|1,1,0]=4 5604 B11R1.267 Cc1c(cccc1N[13CH3])CO 2230a_102495339961_200025704644 [1,1,0,0,0,0|1,0,0]=3 5605 B11R1.267 Cc1c(cccc1N[13CH3])CO 34a_102495339961_200025704644 [1,1,0,0,0,0|1,0,0]=3 5606 B11R1.267 Cc1c(cccc1O[13CH3])C#N 34a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 5607 B11R1.267 Cc1c(cccc1O[13CH3])C#N 7a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 5608 B11R1.267 Cc1c(cccc1O[13CH3])CO 34a_200000084602_200025704644 [1,1,0,0,0,0|0,0,0]=2 5609 B11R1.267 Cc1c(cccc1O[13CH3])CO 7a_200000084602_200025704644 [1,1,0,0,0,0|0,0,0]=2 5610 B11R1.267 Cc1c(cccc1S[13CH3])CN 62a_100000724210_200025704644 [1,1,0,0,0,0|1,1,0]=4 5611 B11R1.267 Cc1c(cccc1S[13CH3])CN 62a_200025704644_100000724210 [1,1,0,0,0,0|1,1,0]=4 5612 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_100000694458_200025704644 [1,1,0,0,0,0|0,1,0]=3 5613 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_200025704644_100000694458 [1,1,0,0,0,0|0,1,0]=3 5614 B11R1.267 [13CH3]Nc1cccc(c1F)CO 34a_100012023829_200025704644 [1,1,0,0,0,0|1,0,0]=3 5615 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 34a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 5616 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 7a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 5617 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 34a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 5618 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 7a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 5619 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 34a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 5620 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 7a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 5621 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [1,1,0,0,0,0|1,0,0]=3 5622 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_100010240205_200025704644 [1,1,0,0,0,0|0,1,0]=3 5623 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_200025704644_100010240205 [1,1,0,0,0,0|0,1,0]=3 5624 B11R1.267 [13CH3]Sc1cccc(c1F)CN 62a_100015189953_200025704644 [1,1,0,0,0,0|1,1,0]=4 5625 B11R1.267 [13CH3]Sc1cccc(c1F)CN 62a_200025704644_100015189953 [1,1,0,0,0,0|1,1,0]=4 5626 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_100011935076_200025704644 [1,1,0,0,0,0|0,1,0]=3 5627 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_200025704644_100011935076 [1,1,0,0,0,0|0,1,0]=3 5628 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_100012349457_200025704644 [1,1,0,0,0,0|0,1,0]=3 5629 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_200025704644_100012349457 [1,1,0,0,0,0|0,1,0]=3 5630 B11R1.267 [13CH3]Sc1cncc(c1N)CO 62a_200010988789_200025704644 [1,1,0,0,0,0|1,1,0]=4 5631 B11R1.267 [13CH3]Sc1cncc(c1N)CO 62a_200025704644_200010988789 [1,1,0,0,0,0|1,1,0]=4 5632 B11R1.267 [13CH3]Sc1nccc(c1F)CO 62a_100000101314_200025704644 [1,1,0,0,0,0|1,1,0]=4 5633 B11R1.267 [13CH3]Sc1nccc(c1F)CO 62a_200025704644_100000101314 [1,1,0,0,0,0|1,1,0]=4 5634 B11R1.14 C=Cc1cc(c(c(c1)Br)O)C 271570a_100011290941_100010982682 [1,1,0,0,0,0|1,0,1]=4 5635 B11R1.14 C=Cc1cc(c(c(c1)C)O)C 271570a_100011290941_100000187306 [1,1,0,0,0,0|1,0,1]=4 5636 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)C 271570a_100011290941_200015900153 [1,1,0,0,0,0|1,0,1]=4 5637 B11R1.14 C=Cc1cc(c(c(c1)N)O)C 271570a_100011290941_100011825904 [1,1,0,0,0,0|1,0,1]=4 5638 B11R1.14 CCc1cc(c(c(c1)F)O)F 271570a_203496583355_200160481119 [1,1,0,0,0,0|2,0,0]=4 5639 B11R1.14 CNc1cc(c(c(c1)Br)O)C 34a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 5640 B11R1.14 CNc1cc(c(c(c1)Br)O)C 7a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 5641 B11R1.14 CNc1cc(c(c(c1)C)O)C 34a_100000703291_200000210301 [1,1,0,0,0,0|2,0,0]=4 5642 B11R1.14 CNc1cc(c(c(c1)C)O)C 7a_100000703291_200000210301 [1,1,0,0,0,0|2,0,0]=4 5643 B11R1.14 COc1cc(c(c(c1)C)O)C 271570a_203496583355_100012160682 [1,1,0,0,0,0|2,0,0]=4 5644 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [1,1,0,0,0,0|2,0,0]=4 5645 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_100010982682_200000210301 [1,1,0,0,0,0|2,0,0]=4 5646 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_200000210301_100010982682 [1,1,0,0,0,0|2,0,0]=4 5647 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_100011216129_200000210301 [1,1,0,0,0,0|2,0,0]=4 5648 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_200000210301_100011216129 [1,1,0,0,0,0|2,0,0]=4 5649 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200000210301_200015900153 [1,1,0,0,0,0|2,0,0]=4 5650 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200015900153_200000210301 [1,1,0,0,0,0|2,0,0]=4 5651 B11R1.14 CSc1cc(c(c(c1)F)O)O 62a_200000210301_100010114375 [1,1,0,0,0,0|2,0,0]=4 5652 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 5653 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_200000210301_100011825904 [1,1,0,0,0,0|2,0,0]=4 5654 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [1,1,0,0,0,0|2,0,0]=4 5655 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 34a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 5656 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 7a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 5657 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_100010982682_200025704644 [1,1,0,0,0,0|2,0,0]=4 5658 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_200025704644_100010982682 [1,1,0,0,0,0|2,0,0]=4 5659 B11R1.14 Cc1cc(cc(c1O)C)C#N 271570a_203496583355_100000707521 [1,1,0,0,0,0|1,0,1]=4 5660 B11R1.14 Cc1cc(cc(c1O)C)C=O 271570a_203496583355_100000102522 [1,1,0,0,0,0|0,0,2]=4 5661 B11R1.14 Cc1cc(cc(c1O)C)CO 271570a_203496583355_100012339607 [1,1,0,0,0,0|0,0,0]=2 5662 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 34a_100000703291_200025704644 [1,1,0,0,0,0|2,0,0]=4 5663 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 7a_100000703291_200025704644 [1,1,0,0,0,0|2,0,0]=4 5664 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_100011216129_200025704644 [1,1,0,0,0,0|2,0,0]=4 5665 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100011216129 [1,1,0,0,0,0|2,0,0]=4 5666 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200015900153_200025704644 [1,1,0,0,0,0|2,0,0]=4 5667 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200025704644_200015900153 [1,1,0,0,0,0|2,0,0]=4 5668 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 5669 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_200025704644_100011825904 [1,1,0,0,0,0|2,0,0]=4 5670 B11R1.14 N#Cc1cc(c(c(c1)O)O)O 271570a_203496583355_100010672013 [1,1,0,0,0,0|1,0,1]=4 5671 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [1,1,0,0,0,0|0,0,2]=4 5672 B11R1.14 OCc1cc(c(c(c1)F)F)O 271570a_203496583355_100015464361 [1,1,0,0,0,0|1,0,0]=3 5673 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)O)O 62a_200025704644_100010114375 [1,1,0,0,0,0|2,0,0]=4 5674 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [1,1,0,0,0,0|2,0,0]=4 5675 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|1,0,1]=4 5676 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|1,0,1]=4 5677 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|0,0,2]=4 5678 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|0,0,2]=4 5679 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|0,0,2]=4 5680 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|0,0,2]=4 5681 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [1,1,0,0,0,0|2,0,0]=4 5682 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [1,1,0,0,0,0|2,0,0]=4 5683 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|1,0,0]=3 5684 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [1,1,0,0,0,0|2,0,0]=4 5685 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [1,1,0,0,0,0|2,0,0]=4 5686 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|1,0,0]=3 5687 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|0,0,2]=4 5688 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|0,0,2]=4 5689 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,1,0,0,0,0|2,0,0]=4 5690 B11R1.21 Cc1cc(cnc1O)B(O)O 271570a_203496583355_100000061933 [1,1,0,0,0,0|2,0,0]=4 5691 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [1,1,0,0,0,0|2,0,0]=4 5692 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [1,1,0,0,0,0|2,0,0]=4 5693 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|0,0,2]=4 5694 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [1,1,0,0,0,0|2,0,0]=4 5695 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [1,1,0,0,0,0|2,0,0]=4 5696 B11R1.21 Oc1cc(ccc1F)C(F)F 271570a_203496583355_100010188717 [1,1,0,0,0,0|2,0,0]=4 5697 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [1,1,0,0,0,0|2,0,0]=4 5698 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|0,0,2]=4 5699 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,1,0,0,0,0|1,0,1]=4 5700 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,1,0,0,0,0|1,0,1]=4 5701 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|1,0,1]=4 5702 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|1,0,1]=4 5703 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,1,0,0,0,0|2,0,0]=4 5704 B11R1.192 CCNc1ccc(c(c1)Br)O 34a_100011534360_100000210202 [1,1,0,0,0,0|2,0,0]=4 5705 B11R1.192 CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5706 B11R1.192 CCNc1ccc(c(c1)C)Br 34a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5707 B11R1.192 CCNc1ccc(c(c1)C)Br 7a_100000210723_100000210202 [1,1,0,0,0,0|2,0,0]=4 5708 B11R1.192 CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210202 [1,1,0,0,0,0|2,0,0]=4 5709 B11R1.192 CCNc1ccc(c(c1)C)C 34a_100000724040_100000210202 [1,1,0,0,0,0|2,0,0]=4 5710 B11R1.192 CCNc1ccc(c(c1)C)C 7a_100000724040_100000210202 [1,1,0,0,0,0|2,0,0]=4 5711 B11R1.192 CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5712 B11R1.192 CCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5713 B11R1.192 CCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210202 [1,1,0,0,0,0|2,0,0]=4 5714 B11R1.192 CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210202 [1,1,0,0,0,0|2,0,0]=4 5715 B11R1.192 CCNc1ccc(c(c1)C)F 34a_100000750164_100000210202 [1,1,0,0,0,0|2,0,0]=4 5716 B11R1.192 CCNc1ccc(c(c1)C)F 7a_100000750164_100000210202 [1,1,0,0,0,0|2,0,0]=4 5717 B11R1.192 CCNc1ccc(c(c1)C)I 34a_100000198070_100000210202 [1,1,0,0,0,0|2,0,0]=4 5718 B11R1.192 CCNc1ccc(c(c1)C)I 7a_100000198070_100000210202 [1,1,0,0,0,0|2,0,0]=4 5719 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,1,0,0,0,0|1,0,0]=3 5720 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 5721 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,1,0,0,0,0|1,0,0]=3 5722 B11R1.192 CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210202 [1,1,0,0,0,0|2,0,0]=4 5723 B11R1.192 CCNc1ccc(c(c1)F)O 34a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 5724 B11R1.192 CCNc1ccc(c(c1)F)O 7a_100011220035_100000210202 [1,1,0,0,0,0|2,0,0]=4 5725 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 5726 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 5727 B11R1.192 CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210202 [1,1,0,0,0,0|2,0,0]=4 5728 B11R1.192 CCNc1ccc(c(c1)O)F 34a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 5729 B11R1.192 CCNc1ccc(c(c1)O)F 7a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 5730 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|1,0,0]=3 5731 B11R1.192 CCOc1cc(c(cn1)O)C 271570a_203496583355_200012351029 [1,1,0,0,0,0|2,0,0]=4 5732 B11R1.192 CCOc1ccc(c(c1)C)Br 34a_100000690111_100000210202 [1,1,0,0,0,0|2,0,0]=4 5733 B11R1.192 CCOc1ccc(c(c1)C)Br 7a_100000690111_100000210202 [1,1,0,0,0,0|2,0,0]=4 5734 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [1,1,0,0,0,0|2,0,0]=4 5735 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [1,1,0,0,0,0|2,0,0]=4 5736 B11R1.192 CCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210202 [1,1,0,0,0,0|2,0,0]=4 5737 B11R1.192 CCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210202 [1,1,0,0,0,0|2,0,0]=4 5738 B11R1.192 CCOc1ccc(c(c1)C)F 34a_100000751312_100000210202 [1,1,0,0,0,0|2,0,0]=4 5739 B11R1.192 CCOc1ccc(c(c1)C)F 7a_100000751312_100000210202 [1,1,0,0,0,0|2,0,0]=4 5740 B11R1.192 CCOc1ccc(c(c1)C)I 34a_100000729255_100000210202 [1,1,0,0,0,0|2,0,0]=4 5741 B11R1.192 CCOc1ccc(c(c1)C)I 7a_100000729255_100000210202 [1,1,0,0,0,0|2,0,0]=4 5742 B11R1.192 CCOc1ccc(c(c1)C)N 34a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 5743 B11R1.192 CCOc1ccc(c(c1)C)N 7a_100000756630_100000210202 [1,1,0,0,0,0|2,0,0]=4 5744 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,1,0,0,0,0|1,0,0]=3 5745 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [1,1,0,0,0,0|2,0,0]=4 5746 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [1,1,0,0,0,0|2,0,0]=4 5747 B11R1.192 CCSc1cc(c(cn1)O)C 62a_100000210202_100000692680 [1,1,0,0,0,0|2,0,0]=4 5748 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100000210202_100012361655 [1,1,0,0,0,0|2,0,0]=4 5749 B11R1.192 CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210202 [1,1,0,0,0,0|2,0,0]=4 5750 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100000210202_100009813585 [1,1,0,0,0,0|2,0,0]=4 5751 B11R1.192 CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210202 [1,1,0,0,0,0|2,0,0]=4 5752 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100000210202_100011215607 [1,1,0,0,0,0|2,0,0]=4 5753 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100011215607_100000210202 [1,1,0,0,0,0|2,0,0]=4 5754 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210202 [1,1,0,0,0,0|2,0,0]=4 5755 B11R1.192 CCSc1ccc(c(c1)C)Cl 62a_100000210202_100000049509 [1,1,0,0,0,0|2,0,0]=4 5756 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100000210202_100011218330 [1,1,0,0,0,0|2,0,0]=4 5757 B11R1.192 CCSc1ccc(c(c1)C)F 62a_100011218330_100000210202 [1,1,0,0,0,0|2,0,0]=4 5758 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000210202_100000211769 [1,1,0,0,0,0|2,0,0]=4 5759 B11R1.192 CCSc1ccc(c(c1)C)N 62a_100000211769_100000210202 [1,1,0,0,0,0|2,0,0]=4 5760 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,1,0,0,0,0|1,0,0]=3 5761 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100000210202_100012360047 [1,1,0,0,0,0|2,0,0]=4 5762 B11R1.192 CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210202 [1,1,0,0,0,0|2,0,0]=4 5763 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000185481_100000210202 [1,1,0,0,0,0|2,0,0]=4 5764 B11R1.192 CCSc1ccc(c(c1)F)O 62a_100000210202_100000185481 [1,1,0,0,0,0|2,0,0]=4 5765 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000210202_100000752626 [1,1,0,0,0,0|2,0,0]=4 5766 B11R1.192 CCSc1ccc(c(c1)N)O 62a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 5767 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100000210202_100012356990 [1,1,0,0,0,0|2,0,0]=4 5768 B11R1.192 CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 5769 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [1,1,0,0,0,0|2,0,0]=4 5770 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 5771 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100000210202_100011356854 [1,1,0,0,0,0|2,0,0]=4 5772 B11R1.192 CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 5773 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000210202_100000686035 [1,1,0,0,0,0|2,0,0]=4 5774 B11R1.192 CCSc1ccc(c(c1)O)F 62a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 5775 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000210202_100000739049 [1,1,0,0,0,0|2,0,0]=4 5776 B11R1.192 CCSc1ccc(c(c1)O)N 62a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 5777 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|1,0,0]=3 5778 B11R1.192 CCSc1ccc(c(n1)C)O 62a_100000210202_100010233687 [1,1,0,0,0,0|2,0,0]=4 5779 B11R1.192 CCSc1ccc(c(n1)C)O 62a_100010233687_100000210202 [1,1,0,0,0,0|2,0,0]=4 5780 B11R1.192 CCSc1cnc(c(c1)C)O 62a_100000210202_100000685391 [1,1,0,0,0,0|2,0,0]=4 5781 B11R1.192 CCSc1cnc(c(c1)C)O 62a_100000685391_100000210202 [1,1,0,0,0,0|2,0,0]=4 5782 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [1,1,0,0,0,0|2,0,0]=4 5783 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 5784 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [1,1,0,0,0,0|2,0,0]=4 5785 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [1,1,0,0,0,0|2,0,0]=4 5786 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [1,1,0,0,0,0|2,0,0]=4 5787 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 5788 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [1,1,0,0,0,0|2,0,0]=4 5789 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [1,1,0,0,0,0|2,0,0]=4 5790 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,1,0,0,0,0|2,0,0]=4 5791 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,1,0,0,0,0|2,0,0]=4 5792 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,1,0,0,0,0|2,0,0]=4 5793 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,1,0,0,0,0|2,0,0]=4 5794 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,1,0,0,0,0|2,0,0]=4 5795 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,1,0,0,0,0|2,0,0]=4 5796 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,1,0,0,0,0|2,0,0]=4 5797 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [1,1,0,0,0,0|2,0,0]=4 5798 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [1,1,0,0,0,0|2,0,0]=4 5799 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [1,1,0,0,0,0|2,0,0]=4 5800 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [1,1,0,0,0,0|2,0,0]=4 5801 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [1,1,0,0,0,0|2,0,0]=4 5802 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [1,1,0,0,0,0|2,0,0]=4 5803 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [1,1,0,0,0,0|2,0,0]=4 5804 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5805 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [1,1,0,0,0,0|2,0,0]=4 5806 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [1,1,0,0,0,0|2,0,0]=4 5807 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5808 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [1,1,0,0,0,0|2,0,0]=4 5809 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [1,1,0,0,0,0|2,0,0]=4 5810 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,1,0,0,0,0|2,0,0]=4 5811 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,1,0,0,0,0|2,0,0]=4 5812 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [1,1,0,0,0,0|2,0,0]=4 5813 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,0]=3 5814 B11R1.192 COCc1cc(c(cn1)Br)C 34a_200010713146_200000210301 [1,1,0,0,0,0|2,0,0]=4 5815 B11R1.192 COCc1ccc(c(c1)Br)Br 34a_100138415774_100012353900 [1,1,0,0,0,0|2,0,0]=4 5816 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [1,1,0,0,0,0|2,0,0]=4 5817 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [1,1,0,0,0,0|2,0,0]=4 5818 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [1,1,0,0,0,0|2,0,0]=4 5819 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5820 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100138415774_100012353894 [1,1,0,0,0,0|2,0,0]=4 5821 B11R1.192 COCc1ccc(c(c1)Br)Cl 7a_100012353893_200000210301 [1,1,0,0,0,0|2,0,0]=4 5822 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100000246287_200000210301 [1,1,0,0,0,0|2,0,0]=4 5823 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100138415774_100011206884 [1,1,0,0,0,0|2,0,0]=4 5824 B11R1.192 COCc1ccc(c(c1)Br)F 7a_100000246287_200000210301 [1,1,0,0,0,0|2,0,0]=4 5825 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [1,1,0,0,0,0|1,0,0]=3 5826 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [1,1,0,0,0,0|1,0,0]=3 5827 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [1,1,0,0,0,0|1,0,0]=3 5828 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,1,0,0,0,0|1,0,0]=3 5829 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,1,0,0,0,0|1,0,0]=3 5830 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,1,0,0,0,0|1,0,0]=3 5831 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,1,0,0,0,0|1,0,0]=3 5832 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [1,1,0,0,0,0|1,0,0]=3 5833 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [1,1,0,0,0,0|1,0,0]=3 5834 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [1,1,0,0,0,0|1,0,0]=3 5835 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 5836 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100000709168_200000210301 [1,1,0,0,0,0|2,0,0]=4 5837 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100138415774_100012353895 [1,1,0,0,0,0|2,0,0]=4 5838 B11R1.192 COCc1ccc(c(c1)Cl)Br 7a_100000709168_200000210301 [1,1,0,0,0,0|2,0,0]=4 5839 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [1,1,0,0,0,0|2,0,0]=4 5840 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [1,1,0,0,0,0|2,0,0]=4 5841 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [1,1,0,0,0,0|2,0,0]=4 5842 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 5843 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100138415774_100000184707 [1,1,0,0,0,0|2,0,0]=4 5844 B11R1.192 COCc1ccc(c(c1)Cl)Cl 7a_100000211588_200000210301 [1,1,0,0,0,0|2,0,0]=4 5845 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100011217911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5846 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100138415774_100011934319 [1,1,0,0,0,0|2,0,0]=4 5847 B11R1.192 COCc1ccc(c(c1)Cl)F 7a_100011217911_200000210301 [1,1,0,0,0,0|2,0,0]=4 5848 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 5849 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100138415774_100012349665 [1,1,0,0,0,0|2,0,0]=4 5850 B11R1.192 COCc1ccc(c(c1)Cl)I 7a_100000718186_200000210301 [1,1,0,0,0,0|2,0,0]=4 5851 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 5852 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100138415774_100000767054 [1,1,0,0,0,0|2,0,0]=4 5853 B11R1.192 COCc1ccc(c(c1)F)Br 7a_100011533735_200000210301 [1,1,0,0,0,0|2,0,0]=4 5854 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [1,1,0,0,0,0|2,0,0]=4 5855 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [1,1,0,0,0,0|2,0,0]=4 5856 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [1,1,0,0,0,0|2,0,0]=4 5857 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 5858 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100138415774_100011519011 [1,1,0,0,0,0|2,0,0]=4 5859 B11R1.192 COCc1ccc(c(c1)F)Cl 7a_100011218299_200000210301 [1,1,0,0,0,0|2,0,0]=4 5860 B11R1.192 COCc1ccc(c(c1)F)F 34a_100011215442_200000210301 [1,1,0,0,0,0|2,0,0]=4 5861 B11R1.192 COCc1ccc(c(c1)F)F 34a_100138415774_100000757363 [1,1,0,0,0,0|2,0,0]=4 5862 B11R1.192 COCc1ccc(c(c1)F)F 7a_100011215442_200000210301 [1,1,0,0,0,0|2,0,0]=4 5863 B11R1.192 COCc1ccc(c(c1)F)I 34a_100010149597_200000210301 [1,1,0,0,0,0|2,0,0]=4 5864 B11R1.192 COCc1ccc(c(c1)F)I 34a_100138415774_100010149604 [1,1,0,0,0,0|2,0,0]=4 5865 B11R1.192 COCc1ccc(c(c1)F)I 7a_100010149597_200000210301 [1,1,0,0,0,0|2,0,0]=4 5866 B11R1.192 COCc1ccc(c(c1)F)N 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 5867 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|1,0,0]=3 5868 B11R1.192 COCc1ccc(c(c1)I)Br 34a_100138415774_100010146616 [1,1,0,0,0,0|2,0,0]=4 5869 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [1,1,0,0,0,0|2,0,0]=4 5870 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [1,1,0,0,0,0|2,0,0]=4 5871 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [1,1,0,0,0,0|2,0,0]=4 5872 B11R1.192 COCc1ccc(c(c1)I)F 34a_100000049585_200000210301 [1,1,0,0,0,0|2,0,0]=4 5873 B11R1.192 COCc1ccc(c(c1)I)F 34a_100138415774_100010188208 [1,1,0,0,0,0|2,0,0]=4 5874 B11R1.192 COCc1ccc(c(c1)I)F 7a_100000049585_200000210301 [1,1,0,0,0,0|2,0,0]=4 5875 B11R1.192 COCc1ccc(c(c1)N)Br 34a_100012347568_200000210301 [1,1,0,0,0,0|2,0,0]=4 5876 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [1,1,0,0,0,0|2,0,0]=4 5877 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [1,1,0,0,0,0|2,0,0]=4 5878 B11R1.192 COCc1ccc(c(c1)N)F 34a_102125399562_200000210301 [1,1,0,0,0,0|2,0,0]=4 5879 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|1,0,0]=3 5880 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,1,0,0,0,0|1,0,0]=3 5881 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,1,0,0,0,0|1,0,0]=3 5882 B11R1.192 COCc1ccc(c(n1)C)Br 34a_100010114280_200000210301 [1,1,0,0,0,0|2,0,0]=4 5883 B11R1.192 COCc1ccc(c(n1)C)F 34a_200009884719_200000210301 [1,1,0,0,0,0|2,0,0]=4 5884 B11R1.192 COCc1cnc(c(c1)C)Cl 34a_200000092119_200000210301 [1,1,0,0,0,0|2,0,0]=4 5885 B11R1.192 COCc1cnc(c(c1)C)Cl 7a_200000092119_200000210301 [1,1,0,0,0,0|2,0,0]=4 5886 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [1,1,0,0,0,0|1,1,0]=4 5887 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [1,1,0,0,0,0|1,1,0]=4 5888 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,1,0,0,0,0|1,1,0]=4 5889 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,1,0,0,0,0|1,1,0]=4 5890 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [1,1,0,0,0,0|1,1,0]=4 5891 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [1,1,0,0,0,0|1,1,0]=4 5892 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [1,1,0,0,0,0|1,1,0]=4 5893 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [1,1,0,0,0,0|1,1,0]=4 5894 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 5895 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 5896 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [1,1,0,0,0,0|1,0,0]=3 5897 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [1,1,0,0,0,0|1,0,0]=3 5898 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [1,1,0,0,0,0|1,1,0]=4 5899 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [1,1,0,0,0,0|1,1,0]=4 5900 B11R1.192 Cc1cc(ccc1Br)NCF 34a_100000210723_100015361967 [1,1,0,0,0,0|2,0,0]=4 5901 B11R1.192 Cc1cc(ccc1Br)NCF 7a_100000210723_100015361967 [1,1,0,0,0,0|2,0,0]=4 5902 B11R1.192 Cc1cc(ccc1Br)OCF 34a_100000690111_100015361967 [1,1,0,0,0,0|2,0,0]=4 5903 B11R1.192 Cc1cc(ccc1Br)OCF 7a_100000690111_100015361967 [1,1,0,0,0,0|2,0,0]=4 5904 B11R1.192 Cc1cc(ccc1Br)SCF 62a_100009813585_100015361967 [1,1,0,0,0,0|2,0,0]=4 5905 B11R1.192 Cc1cc(ccc1Br)SCF 62a_100015361967_100009813585 [1,1,0,0,0,0|2,0,0]=4 5906 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [1,1,0,0,0,0|1,1,0]=4 5907 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [1,1,0,0,0,0|1,1,0]=4 5908 B11R1.192 Cc1cc(ccc1Cl)NCF 34a_100000187808_100015361967 [1,1,0,0,0,0|2,0,0]=4 5909 B11R1.192 Cc1cc(ccc1Cl)NCF 7a_100000187808_100015361967 [1,1,0,0,0,0|2,0,0]=4 5910 B11R1.192 Cc1cc(ccc1Cl)OCF 34a_100000211092_100015361967 [1,1,0,0,0,0|2,0,0]=4 5911 B11R1.192 Cc1cc(ccc1Cl)OCF 7a_100000211092_100015361967 [1,1,0,0,0,0|2,0,0]=4 5912 B11R1.192 Cc1cc(ccc1Cl)SCF 62a_100000049509_100015361967 [1,1,0,0,0,0|2,0,0]=4 5913 B11R1.192 Cc1cc(ccc1Cl)SCF 62a_100015361967_100000049509 [1,1,0,0,0,0|2,0,0]=4 5914 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [1,1,0,0,0,0|2,0,0]=4 5915 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [1,1,0,0,0,0|2,0,0]=4 5916 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [1,1,0,0,0,0|1,0,0]=3 5917 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [1,1,0,0,0,0|1,0,0]=3 5918 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [1,1,0,0,0,0|1,1,0]=4 5919 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [1,1,0,0,0,0|1,1,0]=4 5920 B11R1.192 Cc1cc(ccc1F)NCF 34a_100000750164_100015361967 [1,1,0,0,0,0|2,0,0]=4 5921 B11R1.192 Cc1cc(ccc1F)NCF 7a_100000750164_100015361967 [1,1,0,0,0,0|2,0,0]=4 5922 B11R1.192 Cc1cc(ccc1F)OCF 34a_100000751312_100015361967 [1,1,0,0,0,0|2,0,0]=4 5923 B11R1.192 Cc1cc(ccc1F)OCF 7a_100000751312_100015361967 [1,1,0,0,0,0|2,0,0]=4 5924 B11R1.192 Cc1cc(ccc1F)SCF 62a_100011218330_100015361967 [1,1,0,0,0,0|2,0,0]=4 5925 B11R1.192 Cc1cc(ccc1F)SCF 62a_100015361967_100011218330 [1,1,0,0,0,0|2,0,0]=4 5926 B11R1.192 Cc1cc(ccc1I)NCF 34a_100000198070_100015361967 [1,1,0,0,0,0|2,0,0]=4 5927 B11R1.192 Cc1cc(ccc1I)NCF 7a_100000198070_100015361967 [1,1,0,0,0,0|2,0,0]=4 5928 B11R1.192 Cc1cc(ccc1I)OCF 34a_100000729255_100015361967 [1,1,0,0,0,0|2,0,0]=4 5929 B11R1.192 Cc1cc(ccc1I)OCF 7a_100000729255_100015361967 [1,1,0,0,0,0|2,0,0]=4 5930 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 5931 B11R1.192 Cc1cc(ccc1N)OCF 34a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 5932 B11R1.192 Cc1cc(ccc1N)OCF 7a_100000756630_100015361967 [1,1,0,0,0,0|2,0,0]=4 5933 B11R1.192 Cc1cc(ccc1N)SCF 62a_100000211769_100015361967 [1,1,0,0,0,0|2,0,0]=4 5934 B11R1.192 Cc1cc(ccc1N)SCF 62a_100015361967_100000211769 [1,1,0,0,0,0|2,0,0]=4 5935 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|1,0,0]=3 5936 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,1,0,0,0,0|1,0,0]=3 5937 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,1,0,0,0,0|1,0,0]=3 5938 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,1,0,0,0,0|1,0,0]=3 5939 B11R1.192 Cc1cc(cnc1Cl)CO[13CH3] 34a_200000092119_200025704644 [1,1,0,0,0,0|2,0,0]=4 5940 B11R1.192 Cc1cc(cnc1Cl)CO[13CH3] 7a_200000092119_200025704644 [1,1,0,0,0,0|2,0,0]=4 5941 B11R1.192 Cc1cc(cnc1O)SCF 62a_100000685391_100015361967 [1,1,0,0,0,0|2,0,0]=4 5942 B11R1.192 Cc1cc(cnc1O)SCF 62a_100015361967_100000685391 [1,1,0,0,0,0|2,0,0]=4 5943 B11R1.192 Cc1cc(ncc1Br)CO[13CH3] 34a_200010713146_200025704644 [1,1,0,0,0,0|2,0,0]=4 5944 B11R1.192 Cc1cc(ncc1O)SCF 62a_100015361967_100000692680 [1,1,0,0,0,0|2,0,0]=4 5945 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [1,1,0,0,0,0|2,0,0]=4 5946 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [1,1,0,0,0,0|2,0,0]=4 5947 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,1,0,0,0,0|2,0,0]=4 5948 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,1,0,0,0,0|2,0,0]=4 5949 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,1,0,0,0,0|1,0,0]=3 5950 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,1,0,0,0,0|1,0,0]=3 5951 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,1,0,0,0,0|1,1,0]=4 5952 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,1,0,0,0,0|1,1,0]=4 5953 B11R1.192 Cc1ccc(cc1C)NCF 34a_100000724040_100015361967 [1,1,0,0,0,0|2,0,0]=4 5954 B11R1.192 Cc1ccc(cc1C)NCF 7a_100000724040_100015361967 [1,1,0,0,0,0|2,0,0]=4 5955 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [1,1,0,0,0,0|2,0,0]=4 5956 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [1,1,0,0,0,0|2,0,0]=4 5957 B11R1.192 Cc1ccc(cc1C)SCF 62a_100011215607_100015361967 [1,1,0,0,0,0|2,0,0]=4 5958 B11R1.192 Cc1ccc(cc1C)SCF 62a_100015361967_100011215607 [1,1,0,0,0,0|2,0,0]=4 5959 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [1,1,0,0,0,0|2,0,0]=4 5960 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [1,1,0,0,0,0|2,0,0]=4 5961 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [1,1,0,0,0,0|2,0,0]=4 5962 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [1,1,0,0,0,0|2,0,0]=4 5963 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [1,1,0,0,0,0|2,0,0]=4 5964 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [1,1,0,0,0,0|2,0,0]=4 5965 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [1,1,0,0,0,0|2,0,0]=4 5966 B11R1.192 Cc1ccc(cc1O)NCF 34a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 5967 B11R1.192 Cc1ccc(cc1O)NCF 7a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 5968 B11R1.192 Cc1ccc(cc1O)SCF 62a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 5969 B11R1.192 Cc1ccc(cc1O)SCF 62a_100015361967_100000685420 [1,1,0,0,0,0|2,0,0]=4 5970 B11R1.192 Cc1nc(ccc1Br)CO[13CH3] 34a_100010114280_200025704644 [1,1,0,0,0,0|2,0,0]=4 5971 B11R1.192 Cc1nc(ccc1F)CO[13CH3] 34a_200009884719_200025704644 [1,1,0,0,0,0|2,0,0]=4 5972 B11R1.192 Cc1nc(ccc1O)SCF 62a_100010233687_100015361967 [1,1,0,0,0,0|2,0,0]=4 5973 B11R1.192 Cc1nc(ccc1O)SCF 62a_100015361967_100010233687 [1,1,0,0,0,0|2,0,0]=4 5974 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,1,0,0,0,0|2,0,0]=4 5975 B11R1.192 N#CCc1ccc(c(c1)O)F 271570a_203496583355_100000742998 [1,1,0,0,0,0|2,0,0]=4 5976 B11R1.192 N#CCc1ccc(c(c1)O)N 271570a_203496583355_100010188563 [1,1,0,0,0,0|2,0,0]=4 5977 B11R1.192 Nc1cc(ccc1O)SCF 62a_100000752626_100015361967 [1,1,0,0,0,0|2,0,0]=4 5978 B11R1.192 Nc1cc(ccc1O)SCF 62a_100015361967_100000752626 [1,1,0,0,0,0|2,0,0]=4 5979 B11R1.192 Nc1ccc(cc1O)SCF 62a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 5980 B11R1.192 Nc1ccc(cc1O)SCF 62a_100015361967_100000739049 [1,1,0,0,0,0|2,0,0]=4 5981 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|1,0,0]=3 5982 B11R1.192 Oc1cc(ccc1Br)SCF 62a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 5983 B11R1.192 Oc1cc(ccc1Br)SCF 62a_100015361967_100012356990 [1,1,0,0,0,0|2,0,0]=4 5984 B11R1.192 Oc1cc(ccc1Cl)NCF 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 5985 B11R1.192 Oc1cc(ccc1Cl)SCF 62a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 5986 B11R1.192 Oc1cc(ccc1Cl)SCF 62a_100015361967_100011356854 [1,1,0,0,0,0|2,0,0]=4 5987 B11R1.192 Oc1cc(ccc1F)NCF 34a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 5988 B11R1.192 Oc1cc(ccc1F)NCF 7a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 5989 B11R1.192 Oc1cc(ccc1F)SCF 62a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5990 B11R1.192 Oc1cc(ccc1F)SCF 62a_100015361967_100000686035 [1,1,0,0,0,0|2,0,0]=4 5991 B11R1.192 Oc1ccc(cc1Br)NCF 34a_100011534360_100015361967 [1,1,0,0,0,0|2,0,0]=4 5992 B11R1.192 Oc1ccc(cc1Br)SCF 62a_100012361655_100015361967 [1,1,0,0,0,0|2,0,0]=4 5993 B11R1.192 Oc1ccc(cc1Br)SCF 62a_100015361967_100012361655 [1,1,0,0,0,0|2,0,0]=4 5994 B11R1.192 Oc1ccc(cc1Cl)NCF 34a_100000744943_100015361967 [1,1,0,0,0,0|2,0,0]=4 5995 B11R1.192 Oc1ccc(cc1Cl)SCF 62a_100012360047_100015361967 [1,1,0,0,0,0|2,0,0]=4 5996 B11R1.192 Oc1ccc(cc1Cl)SCF 62a_100015361967_100012360047 [1,1,0,0,0,0|2,0,0]=4 5997 B11R1.192 Oc1ccc(cc1F)NCF 34a_100011220035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5998 B11R1.192 Oc1ccc(cc1F)NCF 7a_100011220035_100015361967 [1,1,0,0,0,0|2,0,0]=4 5999 B11R1.192 Oc1ccc(cc1F)SCF 62a_100000185481_100015361967 [1,1,0,0,0,0|2,0,0]=4 6000 B11R1.192 Oc1ccc(cc1F)SCF 62a_100015361967_100000185481 [1,1,0,0,0,0|2,0,0]=4 6001 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|1,0,0]=3 6002 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|1,0,0]=3 6003 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,1,0,0,0,0|2,0,0]=4 6004 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,1,0,0,0,0|2,0,0]=4 6005 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [1,1,0,0,0,0|2,0,0]=4 6006 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,0]=3 6007 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 34a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6008 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 7a_100012353893_200025704644 [1,1,0,0,0,0|2,0,0]=4 6009 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 34a_100000246287_200025704644 [1,1,0,0,0,0|2,0,0]=4 6010 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 7a_100000246287_200025704644 [1,1,0,0,0,0|2,0,0]=4 6011 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 34a_100000709168_200025704644 [1,1,0,0,0,0|2,0,0]=4 6012 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 7a_100000709168_200025704644 [1,1,0,0,0,0|2,0,0]=4 6013 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 34a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 6014 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 7a_100000211588_200025704644 [1,1,0,0,0,0|2,0,0]=4 6015 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 34a_100011217911_200025704644 [1,1,0,0,0,0|2,0,0]=4 6016 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 7a_100011217911_200025704644 [1,1,0,0,0,0|2,0,0]=4 6017 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 34a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 6018 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 7a_100000718186_200025704644 [1,1,0,0,0,0|2,0,0]=4 6019 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 34a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 6020 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 7a_100011533735_200025704644 [1,1,0,0,0,0|2,0,0]=4 6021 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 34a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 6022 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 7a_100011218299_200025704644 [1,1,0,0,0,0|2,0,0]=4 6023 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 34a_100011215442_200025704644 [1,1,0,0,0,0|2,0,0]=4 6024 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 7a_100011215442_200025704644 [1,1,0,0,0,0|2,0,0]=4 6025 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 34a_100010149597_200025704644 [1,1,0,0,0,0|2,0,0]=4 6026 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 7a_100010149597_200025704644 [1,1,0,0,0,0|2,0,0]=4 6027 B11R1.192 [13CH3]OCc1ccc(c(c1)F)N 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 6028 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 34a_100000049585_200025704644 [1,1,0,0,0,0|2,0,0]=4 6029 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 7a_100000049585_200025704644 [1,1,0,0,0,0|2,0,0]=4 6030 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Br 34a_100012347568_200025704644 [1,1,0,0,0,0|2,0,0]=4 6031 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [1,1,0,0,0,0|2,0,0]=4 6032 B11R1.192 [13CH3]OCc1ccc(c(c1)N)F 34a_102125399562_200025704644 [1,1,0,0,0,0|2,0,0]=4 6033 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,1,0,0,0,0|1,0,1]=4 6034 B11R1.278 C=Cc1ccc(c(c1F)C)O 271570a_100011290941_100010390934 [1,1,0,0,0,0|1,0,1]=4 6035 B11R1.278 CNc1ccc(c(c1C)C)O 34a_200011216674_200000210301 [1,1,0,0,0,0|2,0,0]=4 6036 B11R1.278 CNc1ccc(c(c1C)C)O 7a_200011216674_200000210301 [1,1,0,0,0,0|2,0,0]=4 6037 B11R1.278 CNc1ccc(c(c1F)C)O 34a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 6038 B11R1.278 CNc1ccc(c(c1F)C)O 7a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 6039 B11R1.278 COc1ccc(c(c1C)C)O 271570a_203496583355_100000049725 [1,1,0,0,0,0|2,0,0]=4 6040 B11R1.278 CSc1ccc(c(c1C)C)O 62a_100012353674_200000210301 [1,1,0,0,0,0|2,0,0]=4 6041 B11R1.278 CSc1ccc(c(c1C)C)O 62a_200000210301_100012353674 [1,1,0,0,0,0|2,0,0]=4 6042 B11R1.278 CSc1ccc(c(c1F)C)O 271570a_203496583355_202125771832 [1,1,0,0,0,0|2,0,0]=4 6043 B11R1.278 CSc1ccc(c(c1F)C)O 62a_100010390934_200000210301 [1,1,0,0,0,0|2,0,0]=4 6044 B11R1.278 CSc1ccc(c(c1F)C)O 62a_200000210301_100010390934 [1,1,0,0,0,0|2,0,0]=4 6045 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 34a_200011216674_200025704644 [1,1,0,0,0,0|2,0,0]=4 6046 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 7a_200011216674_200025704644 [1,1,0,0,0,0|2,0,0]=4 6047 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_100012353674_200025704644 [1,1,0,0,0,0|2,0,0]=4 6048 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_200025704644_100012353674 [1,1,0,0,0,0|2,0,0]=4 6049 B11R1.278 Cc1c(ccc(c1F)C#N)O 271570a_203496583355_100015905921 [1,1,0,0,0,0|1,0,1]=4 6050 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|0,0,2]=4 6051 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 34a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 6052 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 7a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 6053 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_100010390934_200025704644 [1,1,0,0,0,0|2,0,0]=4 6054 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_200025704644_100010390934 [1,1,0,0,0,0|2,0,0]=4 6055 B11R1.278 Cc1cnc(c(c1O)C)CO 271570a_203496583355_100000094799 [1,1,0,0,0,0|2,0,0]=4 6056 B11R1.278 NCc1ccc(c(c1F)F)O 271570a_203496583355_100020621914 [1,1,0,0,0,0|2,0,0]=4 6057 B11R1.278 OCc1ccc(c(c1F)F)O 271570a_203496583355_100010712623 [1,1,0,0,0,0|1,0,0]=3 6058 B11R1.278 OCc1ccc(c(c1O)F)F 271570a_203496583355_100015087060 [1,1,0,0,0,0|2,0,0]=4 6059 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|1,0,1]=4 6060 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|1,0,1]=4 6061 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|1,0,1]=4 6062 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|1,0,1]=4 6063 B11R1.279 C=Cc1ccc(cc1C)CN 271570a_100011290941_100015205234 [1,1,0,0,0,0|2,0,0]=4 6064 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [1,1,0,0,0,0|1,0,0]=3 6065 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [1,1,0,0,0,0|2,0,0]=4 6066 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [1,1,0,0,0,0|2,0,0]=4 6067 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [1,1,0,0,0,0|2,0,0]=4 6068 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|1,0,0]=3 6069 B11R1.279 C=Cc1ccc(nc1C)CO 271570a_100011290941_100010114280 [1,1,0,0,0,0|2,0,0]=4 6070 B11R1.279 C=Cc1cnc(cc1C)CO 271570a_100011290941_200010713146 [1,1,0,0,0,0|2,0,0]=4 6071 B11R1.279 C=Cc1ncc(cc1C)CO 271570a_100011290941_200000092119 [1,1,0,0,0,0|2,0,0]=4 6072 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,1,0,0,0,0|2,0,0]=4 6073 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,1,0,0,0,0|2,0,0]=4 6074 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,1,0,0,0,0|2,0,0]=4 6075 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,1,0,0,0,0|2,0,0]=4 6076 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 6077 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 6078 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,1,0,0,0,0|2,0,0]=4 6079 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 6080 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 6081 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,1,0,0,0,0|2,0,0]=4 6082 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,1,0,0,0,0|2,0,0]=4 6083 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,1,0,0,0,0|2,0,0]=4 6084 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,1,0,0,0,0|2,0,0]=4 6085 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,1,0,0,0,0|2,0,0]=4 6086 B11R1.279 CCc1ccc(c(c1)O)C#N 271570a_203496583355_100010295696 [1,1,0,0,0,0|2,0,0]=4 6087 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,1,0,0,0,0|2,0,0]=4 6088 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,1,0,0,0,0|2,0,0]=4 6089 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|1,0,0]=3 6090 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 6091 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 6092 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 6093 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 6094 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|2,0,0]=4 6095 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 6096 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 6097 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,1,0,0,0,0|1,0,0]=3 6098 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 6099 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [1,1,0,0,0,0|2,0,0]=4 6100 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|2,0,0]=4 6101 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|2,0,0]=4 6102 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|2,0,0]=4 6103 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|2,0,0]=4 6104 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|2,0,0]=4 6105 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|2,0,0]=4 6106 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|2,0,0]=4 6107 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|2,0,0]=4 6108 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 6109 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|1,0,0]=3 6110 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 6111 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 6112 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|0,0,0]=2 6113 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|0,0,0]=2 6114 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 6115 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 6116 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 6117 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|2,0,0]=4 6118 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|2,0,0]=4 6119 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|2,0,0]=4 6120 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|2,0,0]=4 6121 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|2,0,0]=4 6122 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|2,0,0]=4 6123 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|2,0,0]=4 6124 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,0]=3 6125 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 6126 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|0,0,2]=4 6127 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,0]=3 6128 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|0,0,0]=2 6129 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 6130 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|2,0,0]=4 6131 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|2,0,0]=4 6132 B11R1.279 COc1ccc(nc1Br)CO 34a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 6133 B11R1.279 COc1ccc(nc1Br)CO 7a_200009817064_200000210301 [1,1,0,0,0,0|2,0,0]=4 6134 B11R1.279 COc1ccc(nc1Cl)CO 34a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 6135 B11R1.279 COc1ccc(nc1Cl)CO 7a_200000118097_200000210301 [1,1,0,0,0,0|2,0,0]=4 6136 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,1,0,0,0,0|1,0,0]=3 6137 B11R1.279 COc1coc(cc1=O)CO 34a_100000211585_200000210301 [1,1,0,0,0,0|1,0,1]=4 6138 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 6139 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|2,0,0]=4 6140 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|2,0,0]=4 6141 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|2,0,0]=4 6142 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,1,0,0,0,0|1,1,0]=4 6143 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,1,0,0,0,0|1,1,0]=4 6144 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,1,0,0,0,0|0,1,0]=3 6145 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,1,0,0,0,0|0,1,0]=3 6146 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [1,1,0,0,0,0|1,1,0]=4 6147 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [1,1,0,0,0,0|1,1,0]=4 6148 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [1,1,0,0,0,0|1,1,0]=4 6149 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [1,1,0,0,0,0|1,1,0]=4 6150 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [1,1,0,0,0,0|1,1,0]=4 6151 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [1,1,0,0,0,0|1,1,0]=4 6152 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|0,1,0]=3 6153 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|0,1,0]=3 6154 B11R1.279 CSc1ccc(nc1C)CO 62a_100010114280_200000210301 [1,1,0,0,0,0|1,1,0]=4 6155 B11R1.279 CSc1ccc(nc1C)CO 62a_200000210301_100010114280 [1,1,0,0,0,0|1,1,0]=4 6156 B11R1.279 CSc1cnc(cc1C)CO 62a_200000210301_200010713146 [1,1,0,0,0,0|1,1,0]=4 6157 B11R1.279 CSc1cnc(cc1C)CO 62a_200010713146_200000210301 [1,1,0,0,0,0|1,1,0]=4 6158 B11R1.279 CSc1ncc(cc1C)CO 62a_200000092119_200000210301 [1,1,0,0,0,0|1,1,0]=4 6159 B11R1.279 CSc1ncc(cc1C)CO 62a_200000210301_200000092119 [1,1,0,0,0,0|1,1,0]=4 6160 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 6161 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 6162 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|2,0,0]=4 6163 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 6164 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,1,0,0,0,0|1,0,0]=3 6165 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 6166 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 6167 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|0,0,0]=2 6168 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|0,0,0]=2 6169 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,1,0,0,0,0|1,1,0]=4 6170 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,1,0,0,0,0|1,1,0]=4 6171 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,1,0,0,0,0|0,1,0]=3 6172 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,1,0,0,0,0|0,1,0]=3 6173 B11R1.279 Cc1cc(cnc1S[13CH3])CO 62a_200000092119_200025704644 [1,1,0,0,0,0|1,1,0]=4 6174 B11R1.279 Cc1cc(cnc1S[13CH3])CO 62a_200025704644_200000092119 [1,1,0,0,0,0|1,1,0]=4 6175 B11R1.279 Cc1cc(ncc1S[13CH3])CO 62a_200010713146_200025704644 [1,1,0,0,0,0|1,1,0]=4 6176 B11R1.279 Cc1cc(ncc1S[13CH3])CO 62a_200025704644_200010713146 [1,1,0,0,0,0|1,1,0]=4 6177 B11R1.279 Cc1nc(ccc1S[13CH3])CO 62a_100010114280_200025704644 [1,1,0,0,0,0|1,1,0]=4 6178 B11R1.279 Cc1nc(ccc1S[13CH3])CO 62a_200025704644_100010114280 [1,1,0,0,0,0|1,1,0]=4 6179 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|1,0,1]=4 6180 B11R1.279 N#Cc1ccc(cc1O)CO 271570a_203496583355_100009876504 [1,1,0,0,0,0|1,0,0]=3 6181 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|0,0,0]=2 6182 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 6183 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [1,1,0,0,0,0|2,0,0]=4 6184 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 6185 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|1,0,0]=3 6186 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|2,0,0]=4 6187 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,0]=3 6188 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 34a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 6189 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 7a_200009817064_200025704644 [1,1,0,0,0,0|2,0,0]=4 6190 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 34a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 6191 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 7a_200000118097_200025704644 [1,1,0,0,0,0|2,0,0]=4 6192 B11R1.279 [13CH3]Oc1coc(cc1=O)CO 34a_100000211585_200025704644 [1,1,0,0,0,0|1,0,1]=4 6193 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|2,0,0]=4 6194 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|2,0,0]=4 6195 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [1,1,0,0,0,0|1,1,0]=4 6196 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [1,1,0,0,0,0|1,1,0]=4 6197 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [1,1,0,0,0,0|1,1,0]=4 6198 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [1,1,0,0,0,0|1,1,0]=4 6199 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [1,1,0,0,0,0|1,1,0]=4 6200 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [1,1,0,0,0,0|1,1,0]=4 6201 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|0,1,0]=3 6202 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|0,1,0]=3 6203 B13R1.2260 CC(C)c1cccc(=O)c(c1)O[13CH3] 34a_100000031672_200025704644 [0,1,0,0,0,1|1,0,1]=4 6204 B13R1.2260 CC(C)c1cccc(=O)c(c1)O[13CH3] 7a_100000031672_200025704644 [0,1,0,0,0,1|1,0,1]=4 6205 B13R1.2260 COc1cc(cccc1=O)C(C)C 34a_100000031672_200000210301 [0,1,0,0,0,1|1,0,1]=4 6206 B13R1.2260 COc1cc(cccc1=O)C(C)C 7a_100000031672_200000210301 [0,1,0,0,0,1|1,0,1]=4 6207 B13R1.13 C=C(C)c1cc(ccc1F)C(C)O 271570a_100000694244_100011191524 [0,2,0,0,0,0|2,0,0]=4 6208 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,2,0,0,0,0|2,0,0]=4 6209 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,2,0,0,0,0|2,0,0]=4 6213 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,2,0,0,0,0|1,0,0]=3 6214 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 2230a_200012002703_100000210202 [0,2,0,0,0,0|2,0,0]=4 6215 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 269982a_200012002703_100000204670 [0,2,0,0,0,0|2,0,0]=4 6216 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 34a_200012002703_100000210202 [0,2,0,0,0,0|2,0,0]=4 6217 B13R1.49 CCN(C)c1ccc(c(c1)OC)F 38a_200012002703_100000204670 [0,2,0,0,0,0|2,0,0]=4 6218 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,2,0,0,0,0|0,0,2]=4 6219 B13R1.49 CNC(C)c1ccc(c(c1)OC)Br 269862a_106832991636_100010110075 [0,2,0,0,0,0|2,0,0]=4 6220 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [0,2,0,0,0,0|2,0,0]=4 6221 B13R1.49 CNC(C)c1ccc(c(c1)OC)Cl 269862a_106832991636_100012002813 [0,2,0,0,0,0|2,0,0]=4 6222 B13R1.49 CNC(C)c1ccc(c(c1)OC)F 269862a_106832991636_100000694624 [0,2,0,0,0,0|2,0,0]=4 6223 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 2230a_100025717271_200000210301 [0,2,0,0,0,0|2,0,0]=4 6224 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 34a_100025717271_200000210301 [0,2,0,0,0,0|2,0,0]=4 6225 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,2,0,0,0,0|1,0,1]=4 6226 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,2,0,0,0,0|1,0,1]=4 6227 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,2,0,0,0,0|1,0,1]=4 6228 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,2,0,0,0,0|1,0,1]=4 6229 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,2,0,0,0,0|1,0,1]=4 6230 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,2,0,0,0,0|1,0,1]=4 6231 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,2,0,0,0,0|1,0,1]=4 6232 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,2,0,0,0,0|1,0,1]=4 6233 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,2,0,0,0,0|1,0,1]=4 6234 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,2,0,0,0,0|1,0,1]=4 6235 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,2,0,0,0,0|1,0,1]=4 6236 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,2,0,0,0,0|1,0,1]=4 6237 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,2,0,0,0,0|1,0,1]=4 6238 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,2,0,0,0,0|0,0,1]=3 6239 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,2,0,0,0,0|1,0,1]=4 6240 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,2,0,0,0,0|1,0,1]=4 6241 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,2,0,0,0,0|1,0,1]=4 6242 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,2,0,0,0,0|1,0,1]=4 6243 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,2,0,0,0,0|1,0,1]=4 6244 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,2,0,0,0,0|1,0,1]=4 6245 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,2,0,0,0,0|1,0,1]=4 6246 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,2,0,0,0,0|1,0,1]=4 6247 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,2,0,0,0,0|1,0,1]=4 6248 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,2,0,0,0,0|1,0,1]=4 6249 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,2,0,0,0,0|1,0,1]=4 6250 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,2,0,0,0,0|1,0,1]=4 6251 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,2,0,0,0,0|0,1,1]=4 6252 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,2,0,0,0,0|0,1,1]=4 6253 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,2,0,0,0,0|0,1,1]=4 6254 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,2,0,0,0,0|0,1,1]=4 6255 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,2,0,0,0,0|1,0,1]=4 6256 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,2,0,0,0,0|1,0,1]=4 6257 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,2,0,0,0,0|2,0,0]=4 6258 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.49 COc1cc(ccc1F)N(C)CF 269982a_200012002703_100015361967 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.49 COc1cc(ccc1F)N(C)CF 34a_200012002703_100015361967 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.49 COc1cc(ccc1F)N(C)CF 38a_200012002703_100015361967 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 2230a_100025717271_200025704644 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 34a_100025717271_200025704644 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,2,0,0,0,0|1,0,0]=3 6268 B13R1.50 CC(C)(C)c1ccc(c(c1)N[13CH3])O 34a_100000187365_200025704644 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.50 CC(C)(C)c1ccc(c(c1)N[13CH3])O 7a_100000187365_200025704644 [0,2,0,0,0,0|2,0,0]=4 6270 B13R1.50 CC(C)(C)c1ccc(c(c1)O[13CH3])I 34a_100010201833_200025704644 [0,2,0,0,0,0|2,0,0]=4 6271 B13R1.50 CC(C)(C)c1ccc(c(c1)O[13CH3])I 7a_100010201833_200025704644 [0,2,0,0,0,0|2,0,0]=4 6272 B13R1.50 CC(C)(C)c1ccc(c(c1)S[13CH3])O 62a_100012359415_200025704644 [0,2,0,0,0,0|1,1,0]=4 6273 B13R1.50 CC(C)(C)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100012359415 [0,2,0,0,0,0|1,1,0]=4 6274 B13R1.50 CNc1cc(ccc1O)C(C)(C)C 34a_100000187365_200000210301 [0,2,0,0,0,0|2,0,0]=4 6275 B13R1.50 CNc1cc(ccc1O)C(C)(C)C 7a_100000187365_200000210301 [0,2,0,0,0,0|2,0,0]=4 6276 B13R1.50 CNc1cc(ccc1O)C(F)(F)F 34a_100000204637_200000210301 [0,2,0,0,0,0|2,0,0]=4 6277 B13R1.50 CNc1cc(ccc1O)C(F)(F)F 7a_100000204637_200000210301 [0,2,0,0,0,0|2,0,0]=4 6278 B13R1.50 COc1cc(ccc1Br)C(F)(F)F 34a_100012355671_200000210301 [0,2,0,0,0,0|2,0,0]=4 6279 B13R1.50 COc1cc(ccc1Br)C(F)(F)F 7a_100012355671_200000210301 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.50 COc1cc(ccc1Cl)C(F)(F)F 34a_100000230023_200000210301 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.50 COc1cc(ccc1Cl)C(F)(F)F 7a_100000230023_200000210301 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.50 COc1cc(ccc1F)C(F)(F)F 34a_100011218230_200000210301 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.50 COc1cc(ccc1F)C(F)(F)F 7a_100011218230_200000210301 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.50 COc1cc(ccc1I)C(C)(C)C 34a_100010201833_200000210301 [0,2,0,0,0,0|2,0,0]=4 6285 B13R1.50 COc1cc(ccc1I)C(C)(C)C 7a_100010201833_200000210301 [0,2,0,0,0,0|2,0,0]=4 6286 B13R1.50 COc1cc(ccc1N)C(F)(F)F 34a_100000068589_200000210301 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.50 COc1cc(ccc1N)C(F)(F)F 7a_100000068589_200000210301 [0,2,0,0,0,0|2,0,0]=4 6288 B13R1.50 COc1cc(ccc1O)C(F)(F)F 271570a_203496583355_100010150383 [0,2,0,0,0,0|1,0,0]=3 6289 B13R1.50 COc1cc(cnc1O)C(F)(F)F 271570a_203496583355_100010068101 [0,2,0,0,0,0|2,0,0]=4 6290 B13R1.50 CSc1cc(ccc1O)C(C)(C)C 62a_100012359415_200000210301 [0,2,0,0,0,0|1,1,0]=4 6291 B13R1.50 CSc1cc(ccc1O)C(C)(C)C 62a_200000210301_100012359415 [0,2,0,0,0,0|1,1,0]=4 6292 B13R1.50 CSc1cc(ccc1O)C(F)(F)F 62a_200000210301_100010168076 [0,2,0,0,0,0|1,1,0]=4 6293 B13R1.50 [13CH3]Nc1cc(ccc1O)C(F)(F)F 34a_100000204637_200025704644 [0,2,0,0,0,0|2,0,0]=4 6294 B13R1.50 [13CH3]Nc1cc(ccc1O)C(F)(F)F 7a_100000204637_200025704644 [0,2,0,0,0,0|2,0,0]=4 6295 B13R1.50 [13CH3]Oc1cc(ccc1Br)C(F)(F)F 34a_100012355671_200025704644 [0,2,0,0,0,0|2,0,0]=4 6296 B13R1.50 [13CH3]Oc1cc(ccc1Br)C(F)(F)F 7a_100012355671_200025704644 [0,2,0,0,0,0|2,0,0]=4 6297 B13R1.50 [13CH3]Oc1cc(ccc1Cl)C(F)(F)F 34a_100000230023_200025704644 [0,2,0,0,0,0|2,0,0]=4 6298 B13R1.50 [13CH3]Oc1cc(ccc1Cl)C(F)(F)F 7a_100000230023_200025704644 [0,2,0,0,0,0|2,0,0]=4 6299 B13R1.50 [13CH3]Oc1cc(ccc1F)C(F)(F)F 34a_100011218230_200025704644 [0,2,0,0,0,0|2,0,0]=4 6300 B13R1.50 [13CH3]Oc1cc(ccc1F)C(F)(F)F 7a_100011218230_200025704644 [0,2,0,0,0,0|2,0,0]=4 6301 B13R1.50 [13CH3]Oc1cc(ccc1N)C(F)(F)F 34a_100000068589_200025704644 [0,2,0,0,0,0|2,0,0]=4 6302 B13R1.50 [13CH3]Oc1cc(ccc1N)C(F)(F)F 7a_100000068589_200025704644 [0,2,0,0,0,0|2,0,0]=4 6303 B13R1.50 [13CH3]Sc1cc(ccc1O)C(F)(F)F 62a_200025704644_100010168076 [0,2,0,0,0,0|1,1,0]=4 6304 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,2,0,0,0,0|0,0,2]=4 6305 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,2,0,0,0,0|0,0,2]=4 6306 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,2,0,0,0,0|0,0,2]=4 6307 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,2,0,0,0,0|0,0,2]=4 6308 B13R1.354 CC(C)c1ccc(c(c1)NCF)O 34a_200000187366_100015361967 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.354 CC(C)c1ccc(c(c1)NCF)O 7a_200000187366_100015361967 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.354 CC(O)c1ccc(c(c1)SCF)F 62a_100011191524_100015361967 [0,2,0,0,0,0|1,1,0]=4 6311 B13R1.354 CC(O)c1ccc(c(c1)SCF)F 62a_100015361967_100011191524 [0,2,0,0,0,0|1,1,0]=4 6312 B13R1.354 CC=Cc1cc(ccc1F)C(C)O 271570a_100016259895_100011191524 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.354 CCNc1cc(ccc1O)C(C)C 34a_200000187366_100000210202 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.354 CCNc1cc(ccc1O)C(C)C 7a_200000187366_100000210202 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.354 CCOc1cc(ccc1C)C(C)C 34a_100000212073_100000210202 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.354 CCOc1cc(ccc1C)C(C)C 7a_100000212073_100000210202 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,2,0,0,0,0|0,0,2]=4 6318 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,2,0,0,0,0|0,0,2]=4 6319 B13R1.354 CCSc1cc(ccc1F)C(C)O 62a_100000210202_100011191524 [0,2,0,0,0,0|1,1,0]=4 6320 B13R1.354 CCSc1cc(ccc1F)C(C)O 62a_100011191524_100000210202 [0,2,0,0,0,0|1,1,0]=4 6321 B13R1.354 COCc1cc(ccc1F)B(O)O 34a_100138415774_100011092044 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,2,0,0,0,0|0,0,2]=4 6323 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,2,0,0,0,0|1,0,1]=4 6324 B13R1.354 Cc1ccc(cc1OCF)C(C)C 34a_100000212073_100015361967 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.354 Cc1ccc(cc1OCF)C(C)C 7a_100000212073_100015361967 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.651 C=C(C)c1cc(c(cc1F)F)CO 271570a_100000694244_100016029355 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,2,0,0,0,0|1,0,1]=4 6328 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,2,0,0,0,0|1,0,1]=4 6329 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|1,0,1]=4 6330 B13R1.3091 C=Cc1cc(ccc1OC)C(C)O 271570a_100011290941_100000246541 [0,2,0,0,0,0|1,0,1]=4 6331 B13R1.3091 C=Cc1ccc(cc1OC)B(O)O 271570a_100011290941_100012355544 [0,2,0,0,0,0|2,0,0]=4 6332 B13R1.3091 C=Cc1ccc(cc1OC)C(C)C 271570a_100011290941_100021623167 [0,2,0,0,0,0|2,0,0]=4 6333 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,2,0,0,0,0|1,0,1]=4 6334 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,2,0,0,0,0|1,0,1]=4 6335 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|0,0,2]=4 6336 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|0,0,2]=4 6337 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|0,0,0]=2 6338 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|0,0,0]=2 6339 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 6340 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 6341 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_100012355544_200000210301 [0,2,0,0,0,0|1,1,0]=4 6342 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_200000210301_100012355544 [0,2,0,0,0,0|1,1,0]=4 6343 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_100021623167_200000210301 [0,2,0,0,0,0|1,1,0]=4 6344 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_200000210301_100021623167 [0,2,0,0,0,0|1,1,0]=4 6345 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_100012355544_200025704644 [0,2,0,0,0,0|1,1,0]=4 6346 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_200025704644_100012355544 [0,2,0,0,0,0|1,1,0]=4 6347 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_100021623167_200025704644 [0,2,0,0,0,0|1,1,0]=4 6348 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_200025704644_100021623167 [0,2,0,0,0,0|1,1,0]=4 6349 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|0,0,2]=4 6350 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|0,0,2]=4 6351 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|0,0,2]=4 6352 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|0,0,2]=4 6353 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|0,0,2]=4 6354 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|0,0,2]=4 6355 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|0,0,0]=2 6356 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|0,0,0]=2 6357 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 6358 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 6359 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 6360 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 6361 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|0,0,2]=4 6362 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|0,0,2]=4 6363 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 6364 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 6365 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_100000246541_200000210301 [0,2,0,0,0,0|0,1,0]=3 6366 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_200000210301_100000246541 [0,2,0,0,0,0|0,1,0]=3 6367 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_100000246541_200025704644 [0,2,0,0,0,0|0,1,0]=3 6368 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_200025704644_100000246541 [0,2,0,0,0,0|0,1,0]=3 6369 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,2,0,0,0,0|1,0,1]=4 6370 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,2,0,0,0,0|1,0,1]=4 6371 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [0,2,0,0,0,0|1,0,0]=3 6372 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [0,2,0,0,0,0|2,0,0]=4 6373 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [0,2,0,0,0,0|1,0,0]=3 6374 B13R1.99 C=C(C)c1cnc(cc1OC)CO 271570a_100000694244_100010999569 [0,2,0,0,0,0|2,0,0]=4 6375 B13R1.99 C=Cc1ccc(c(c1)OC)B(O)O 271570a_100011290941_100010245881 [0,2,0,0,0,0|1,0,1]=4 6376 B13R1.99 CNc1cc(ccc1[N+](=O)[O-])CO 2230a_100012186632_200000210301 [0,2,0,0,0,0|1,0,1]=4 6377 B13R1.99 COc1cc(ccc1B(O)O)SC 62a_100010245881_200000210301 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.99 COc1cc(ccc1B(O)O)S[13CH3] 62a_100010245881_200025704644 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.99 COc1cc(ccc1[N+](=O)[O-])CO 7a_100000723458_200000210301 [0,2,0,0,0,0|0,0,1]=3 6380 B13R1.99 [13CH3]Nc1cc(ccc1[N+](=O)[O-])CO 2230a_100012186632_200025704644 [0,2,0,0,0,0|1,0,1]=4 6381 B13R1.99 [13CH3]Oc1cc(ccc1[N+](=O)[O-])CO 7a_100000723458_200025704644 [0,2,0,0,0,0|0,0,1]=3 6382 B13R1.355 C=C=Cc1cc(ccc1CO)CO 271570a_100015277604_100010881536 [0,2,0,0,0,0|1,0,1]=4 6383 B13R1.355 C=C=Cc1cc(ccc1OC)CO 271570a_100015277604_100000246451 [0,2,0,0,0,0|1,0,1]=4 6384 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [0,2,0,0,0,0|1,0,1]=4 6385 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [0,2,0,0,0,0|1,0,1]=4 6386 B13R1.355 CC=Cc1cc(ccc1C#N)CO 271570a_100016259895_100009876504 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.355 CC=Cc1cc(ccc1CO)CO 271570a_100016259895_100010881536 [0,2,0,0,0,0|1,0,0]=3 6388 B13R1.355 CC=Cc1cc(ccc1OC)CC 271570a_100016259895_100010062400 [0,2,0,0,0,0|2,0,0]=4 6389 B13R1.355 CC=Cc1cc(ccc1OC)CN 271570a_100016259895_100159240714 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.355 CC=Cc1cc(ccc1OC)CO 271570a_100016259895_100000246451 [0,2,0,0,0,0|1,0,0]=3 6391 B13R1.355 CC=Cc1nc(ccc1OC)CO 271570a_100016259895_100009842956 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [0,2,0,0,0,0|2,0,0]=4 6393 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [0,2,0,0,0,0|2,0,0]=4 6394 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [0,2,0,0,0,0|1,0,0]=3 6395 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [0,2,0,0,0,0|1,0,0]=3 6396 B13R1.355 CCOc1cc(ccc1CO)CO 34a_200010669990_100000210202 [0,2,0,0,0,0|0,0,0]=2 6397 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [0,2,0,0,0,0|1,0,1]=4 6398 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [0,2,0,0,0,0|1,0,1]=4 6399 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [0,2,0,0,0,0|1,0,1]=4 6400 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [0,2,0,0,0,0|1,0,1]=4 6401 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [0,2,0,0,0,0|1,0,0]=3 6402 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [0,2,0,0,0,0|1,0,0]=3 6403 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [0,2,0,0,0,0|1,0,0]=3 6404 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [0,2,0,0,0,0|1,0,0]=3 6405 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [0,2,0,0,0,0|0,0,0]=2 6406 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [0,2,0,0,0,0|0,0,0]=2 6407 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,2,0,0,0,0|2,0,0]=4 6408 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [0,2,0,0,0,0|1,0,1]=4 6409 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [0,2,0,0,0,0|1,0,1]=4 6410 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [0,2,0,0,0,0|1,0,0]=3 6411 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [0,2,0,0,0,0|0,0,0]=2 6412 B13R1.355 CCSc1cc(ccc1C#N)CO 62a_100000210202_100009876504 [0,2,0,0,0,0|1,1,0]=4 6413 B13R1.355 CCSc1cc(ccc1CO)CO 62a_100000210202_100010881536 [0,2,0,0,0,0|0,1,0]=3 6414 B13R1.355 CCSc1cc(ccc1CO)CO 62a_100010881536_100000210202 [0,2,0,0,0,0|0,1,0]=3 6415 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [0,2,0,0,0,0|1,1,0]=4 6416 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [0,2,0,0,0,0|1,1,0]=4 6417 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100000210202_100159240714 [0,2,0,0,0,0|1,1,0]=4 6418 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100159240714_100000210202 [0,2,0,0,0,0|1,1,0]=4 6419 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000210202_100000246451 [0,2,0,0,0,0|0,1,0]=3 6420 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000246451_100000210202 [0,2,0,0,0,0|0,1,0]=3 6421 B13R1.355 CCSc1nc(ccc1OC)CO 62a_100000210202_100009842956 [0,2,0,0,0,0|1,1,0]=4 6422 B13R1.355 CCSc1nc(ccc1OC)CO 62a_100009842956_100000210202 [0,2,0,0,0,0|1,1,0]=4 6423 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [0,2,0,0,0,0|1,0,0]=3 6428 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [0,2,0,0,0,0|1,0,0]=3 6429 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [0,2,0,0,0,0|1,1,0]=4 6430 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [0,2,0,0,0,0|1,1,0]=4 6431 B13R1.355 CNCc1cc(ccc1OC)CO 26a_100102657272_100011215239 [0,2,0,0,0,0|1,0,0]=3 6432 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [0,2,0,0,0,0|0,0,2]=4 6433 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,2,0,0,0,0|2,0,0]=4 6441 B13R1.355 COc1ccc(cc1NCF)CO 34a_100011269841_100015361967 [0,2,0,0,0,0|1,0,0]=3 6442 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [0,2,0,0,0,0|1,0,1]=4 6443 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [0,2,0,0,0,0|1,0,1]=4 6444 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [0,2,0,0,0,0|1,0,0]=3 6445 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [0,2,0,0,0,0|0,0,0]=2 6446 B13R1.355 COc1ccc(cc1SCF)CN 62a_100015361967_100159240714 [0,2,0,0,0,0|1,1,0]=4 6447 B13R1.355 COc1ccc(cc1SCF)CN 62a_100159240714_100015361967 [0,2,0,0,0,0|1,1,0]=4 6448 B13R1.355 COc1ccc(cc1SCF)CO 62a_100000246451_100015361967 [0,2,0,0,0,0|0,1,0]=3 6449 B13R1.355 COc1ccc(cc1SCF)CO 62a_100015361967_100000246451 [0,2,0,0,0,0|0,1,0]=3 6450 B13R1.355 COc1ccc(nc1SCF)CO 62a_100009842956_100015361967 [0,2,0,0,0,0|1,1,0]=4 6451 B13R1.355 COc1ccc(nc1SCF)CO 62a_100015361967_100009842956 [0,2,0,0,0,0|1,1,0]=4 6452 B13R1.355 N#Cc1ccc(cc1SCF)CO 62a_100015361967_100009876504 [0,2,0,0,0,0|1,1,0]=4 6453 B13R1.355 OCc1ccc(c(c1)OCF)CO 34a_200010669990_100015361967 [0,2,0,0,0,0|0,0,0]=2 6454 B13R1.355 OCc1ccc(c(c1)SCF)CO 62a_100010881536_100015361967 [0,2,0,0,0,0|0,1,0]=3 6455 B13R1.355 OCc1ccc(c(c1)SCF)CO 62a_100015361967_100010881536 [0,2,0,0,0,0|0,1,0]=3 6456 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,2,0,0,0,0|1,0,1]=4 6457 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,2,0,0,0,0|1,0,1]=4 6458 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,2,0,0,0,0|1,0,0]=3 6459 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,2,0,0,0,0|1,0,0]=3 6460 B13R1.386 C=Cc1cc(ccc1OC)CCO 271570a_100011290941_100011962876 [0,2,0,0,0,0|1,0,1]=4 6461 B13R1.386 C=Cc1ccc(cc1OC)CC#N 271570a_100011290941_100010176002 [0,2,0,0,0,0|2,0,0]=4 6462 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,2,0,0,0,0|1,0,1]=4 6463 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,2,0,0,0,0|1,0,1]=4 6464 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,2,0,0,0,0|1,0,1]=4 6465 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,2,0,0,0,0|1,0,1]=4 6466 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6467 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,2,0,0,0,0|1,0,0]=3 6468 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6469 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,2,0,0,0,0|1,0,0]=3 6470 B13R1.386 CCNc1ccc(c(c1)OC)C#N 34a_100011999456_100000210202 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [0,2,0,0,0,0|1,0,0]=3 6472 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,2,0,0,0,0|1,0,0]=3 6473 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [0,2,0,0,0,0|1,0,0]=3 6474 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,2,0,0,0,0|1,0,0]=3 6475 B13R1.386 CCSc1cc(c(cn1)CO)OC 62a_100000210202_100010714672 [0,2,0,0,0,0|2,0,0]=4 6476 B13R1.386 CCSc1cc(c(cn1)CO)OC 62a_100010714672_100000210202 [0,2,0,0,0,0|2,0,0]=4 6477 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_100000210202_200010179862 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210202 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.386 CCSc1ccc(c(c1)OC)C#N 62a_100000210202_100000694671 [0,2,0,0,0,0|2,0,0]=4 6480 B13R1.386 CCSc1ccc(c(c1)OC)C=O 62a_100000210202_100010290300 [0,2,0,0,0,0|1,0,1]=4 6481 B13R1.386 CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000210202 [0,2,0,0,0,0|1,0,1]=4 6482 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_100000210202_200010710398 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210202 [0,2,0,0,0,0|2,0,0]=4 6484 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [0,2,0,0,0,0|1,0,0]=3 6485 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [0,2,0,0,0,0|1,0,0]=3 6486 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,2,0,0,0,0|1,0,0]=3 6487 B13R1.386 CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210202 [0,2,0,0,0,0|1,1,0]=4 6488 B13R1.386 CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210202 [0,2,0,0,0,0|1,1,0]=4 6489 B13R1.386 CCSc1ccc(c(n1)OC)CO 62a_100000210202_100010988397 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.386 CCSc1ccc(c(n1)OC)CO 62a_100010988397_100000210202 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.386 CCSc1ccc(c(n1)OC)OC 62a_100000210202_100010214848 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.386 CCSc1cnc(c(c1)OC)CO 62a_100000210202_200010246159 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.386 CCSc1cnc(c(c1)OC)CO 62a_200010246159_100000210202 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.386 CCSc1cnc(c(c1)OC)OC 62a_100000210202_100010234541 [0,2,0,0,0,0|2,0,0]=4 6495 B13R1.386 CCc1cc(ccc1OC)SCF 62a_100015361967_200010179862 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.386 CCc1cc(ccc1OC)SCF 62a_200010179862_100015361967 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.386 CCc1ccc(cc1OC)SCF 62a_100015361967_200010710398 [0,2,0,0,0,0|2,0,0]=4 6498 B13R1.386 CCc1ccc(cc1OC)SCF 62a_200010710398_100015361967 [0,2,0,0,0,0|2,0,0]=4 6499 B13R1.386 CNCc1ccc(c(c1)OC)C#N 207a_100102657272_100000726430 [0,2,0,0,0,0|2,0,0]=4 6500 B13R1.386 CNCc1ccc(c(c1)OC)C#N 270004a_106832991635_100000726430 [0,2,0,0,0,0|2,0,0]=4 6501 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,2,0,0,0,0|1,0,0]=3 6502 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,2,0,0,0,0|1,0,0]=3 6503 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,2,0,0,0,0|1,0,0]=3 6504 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,2,0,0,0,0|1,0,0]=3 6505 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,2,0,0,0,0|1,0,0]=3 6506 B13R1.386 CNCc1ccc(c(c1)OC)SC 207a_100102657272_100000050949 [0,2,0,0,0,0|1,1,0]=4 6507 B13R1.386 CNCc1ccc(c(c1)OC)SC 270004a_106832991635_100000050949 [0,2,0,0,0,0|1,1,0]=4 6508 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.386 CNCc1cnc(c(c1)OC)OC 207a_100102657272_100000117638 [0,2,0,0,0,0|2,0,0]=4 6510 B13R1.386 CNCc1cnc(c(c1)OC)OC 270004a_106832991635_100000117638 [0,2,0,0,0,0|2,0,0]=4 6511 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,2,0,0,0,0|0,0,0]=2 6512 B13R1.386 COc1cc(ccc1C#N)NCF 34a_100011999456_100015361967 [0,2,0,0,0,0|2,0,0]=4 6513 B13R1.386 COc1cc(ccc1C#N)SCF 62a_100015361967_100000694671 [0,2,0,0,0,0|2,0,0]=4 6514 B13R1.386 COc1cc(ccc1C=O)SCF 62a_100000697075_100015361967 [0,2,0,0,0,0|1,0,1]=4 6515 B13R1.386 COc1cc(ccc1C=O)SCF 62a_100015361967_100010290300 [0,2,0,0,0,0|1,0,1]=4 6516 B13R1.386 COc1cc(ccc1CO)NCF 34a_100012183141_100015361967 [0,2,0,0,0,0|1,0,0]=3 6517 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [0,2,0,0,0,0|1,0,0]=3 6518 B13R1.386 COc1cc(ccc1CO)SCF 62a_100011277633_100015361967 [0,2,0,0,0,0|1,0,0]=3 6519 B13R1.386 COc1cc(ccc1CO)SCF 62a_100015361967_100011277633 [0,2,0,0,0,0|1,0,0]=3 6520 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,2,0,0,0,0|1,0,0]=3 6521 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,2,0,0,0,0|1,0,0]=3 6522 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,2,0,0,0,0|1,0,0]=3 6523 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,2,0,0,0,0|1,0,0]=3 6524 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,2,0,0,0,0|0,0,0]=2 6525 B13R1.386 COc1cc(ccc1SC)CC#N 62a_100010176002_200000210301 [0,2,0,0,0,0|1,1,0]=4 6526 B13R1.386 COc1cc(ccc1SC)CC#N 62a_200000210301_100010176002 [0,2,0,0,0,0|1,1,0]=4 6527 B13R1.386 COc1cc(ccc1SC)SCF 62a_200011001119_100015361967 [0,2,0,0,0,0|1,1,0]=4 6528 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_100010176002_200025704644 [0,2,0,0,0,0|1,1,0]=4 6529 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100010176002 [0,2,0,0,0,0|1,1,0]=4 6530 B13R1.386 COc1cc(cnc1CO)SCF 62a_100015361967_200010246159 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.386 COc1cc(cnc1CO)SCF 62a_200010246159_100015361967 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.386 COc1cc(cnc1OC)SCF 62a_100015361967_100010234541 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.386 COc1cc(ncc1CO)SCF 62a_100010714672_100015361967 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.386 COc1cc(ncc1CO)SCF 62a_100015361967_100010714672 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,2,0,0,0,0|1,0,0]=3 6536 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,2,0,0,0,0|1,0,0]=3 6537 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,2,0,0,0,0|1,0,0]=3 6538 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,2,0,0,0,0|1,0,0]=3 6539 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,2,0,0,0,0|1,0,0]=3 6540 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,2,0,0,0,0|0,0,0]=2 6541 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,2,0,0,0,0|1,0,0]=3 6542 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,2,0,0,0,0|0,0,0]=2 6543 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,2,0,0,0,0|0,1,0]=3 6544 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,2,0,0,0,0|0,1,0]=3 6545 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,2,0,0,0,0|1,0,0]=3 6546 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,2,0,0,0,0|1,0,0]=3 6547 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,2,0,0,0,0|1,0,0]=3 6548 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,2,0,0,0,0|1,0,0]=3 6549 B13R1.386 COc1ccc(cc1SC)CC#N 62a_100011215974_200000210301 [0,2,0,0,0,0|1,1,0]=4 6550 B13R1.386 COc1ccc(cc1SC)CC#N 62a_200000210301_100011215974 [0,2,0,0,0,0|1,1,0]=4 6551 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [0,2,0,0,0,0|1,1,0]=4 6552 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [0,2,0,0,0,0|1,1,0]=4 6553 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [0,2,0,0,0,0|0,1,0]=3 6554 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [0,2,0,0,0,0|0,1,0]=3 6555 B13R1.386 COc1ccc(cc1SC)SCF 62a_200009892704_100015361967 [0,2,0,0,0,0|1,1,0]=4 6556 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_100011215974_200025704644 [0,2,0,0,0,0|1,1,0]=4 6557 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_200025704644_100011215974 [0,2,0,0,0,0|1,1,0]=4 6558 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [0,2,0,0,0,0|1,1,0]=4 6559 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [0,2,0,0,0,0|1,1,0]=4 6560 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [0,2,0,0,0,0|0,1,0]=3 6561 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [0,2,0,0,0,0|0,1,0]=3 6562 B13R1.386 COc1ccc(nc1OC)SCF 62a_100015361967_100010214848 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.386 COc1nc(ccc1CO)SCF 62a_100010988397_100015361967 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.386 COc1nc(ccc1CO)SCF 62a_100015361967_100010988397 [0,2,0,0,0,0|2,0,0]=4 6565 B13R1.434 C=Cc1cc(cc(c1OC)F)CO 271570a_100011290941_100020751559 [0,2,0,0,0,0|1,0,1]=4 6566 B13R1.434 COc1c(cc(cc1SC)CO)F 62a_100020751559_200000210301 [0,2,0,0,0,0|0,1,0]=3 6567 B13R1.434 COc1c(cc(cc1SC)CO)F 62a_200000210301_100020751559 [0,2,0,0,0,0|0,1,0]=3 6568 B13R1.434 COc1c(cc(cc1S[13CH3])CO)F 62a_100020751559_200025704644 [0,2,0,0,0,0|0,1,0]=3 6569 B13R1.434 COc1c(cc(cc1S[13CH3])CO)F 62a_200025704644_100020751559 [0,2,0,0,0,0|0,1,0]=3 6570 B13R1.434 COc1cc(c(c(c1)OC)OC)Br 34a_200020900881_200000210301 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.434 COc1cc(c(c(c1)O[13CH3])OC)Br 34a_200020900881_200025704644 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.434 COc1cc(cc(c1OC)Br)C#N 34a_100000188612_200000210301 [0,2,0,0,0,0|1,0,1]=4 6573 B13R1.434 COc1cc(cc(c1OC)Br)C#N 7a_100000188612_200000210301 [0,2,0,0,0,0|1,0,1]=4 6574 B13R1.434 COc1cc(cc(c1OC)C)C#N 34a_200009855753_200000210301 [0,2,0,0,0,0|1,0,1]=4 6575 B13R1.434 COc1cc(cc(c1OC)C)C#N 7a_200009855753_200000210301 [0,2,0,0,0,0|1,0,1]=4 6576 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 34a_100000014776_200000210301 [0,2,0,0,0,0|1,0,1]=4 6577 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 7a_100000014776_200000210301 [0,2,0,0,0,0|1,0,1]=4 6578 B13R1.434 COc1cc(cc(c1OC)Cl)CO 34a_200000246286_200000210301 [0,2,0,0,0,0|0,0,0]=2 6579 B13R1.434 COc1cc(cc(c1OC)I)C#N 7a_100000014777_200000210301 [0,2,0,0,0,0|1,0,1]=4 6580 B13R1.434 COc1cc(cc(c1OC)I)CO 34a_200000022573_200000210301 [0,2,0,0,0,0|0,0,0]=2 6581 B13R1.434 COc1cc(cc(c1OC)O)C#N 271570a_203496583355_100009812337 [0,2,0,0,0,0|1,0,1]=4 6582 B13R1.434 COc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000188315 [0,2,0,0,0,0|0,0,2]=4 6583 B13R1.434 COc1cc(cc(c1OC)O)CO 271570a_203496583355_200000215730 [0,2,0,0,0,0|0,0,0]=2 6584 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 34a_100000188612_200025704644 [0,2,0,0,0,0|1,0,1]=4 6585 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 7a_100000188612_200025704644 [0,2,0,0,0,0|1,0,1]=4 6586 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 34a_200009855753_200025704644 [0,2,0,0,0,0|1,0,1]=4 6587 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 7a_200009855753_200025704644 [0,2,0,0,0,0|1,0,1]=4 6588 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 34a_100000014776_200025704644 [0,2,0,0,0,0|1,0,1]=4 6589 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 7a_100000014776_200025704644 [0,2,0,0,0,0|1,0,1]=4 6590 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)CO 34a_200000246286_200025704644 [0,2,0,0,0,0|0,0,0]=2 6591 B13R1.434 COc1cc(cc(c1O[13CH3])I)C#N 7a_100000014777_200025704644 [0,2,0,0,0,0|1,0,1]=4 6592 B13R1.434 COc1cc(cc(c1O[13CH3])I)CO 34a_200000022573_200025704644 [0,2,0,0,0,0|0,0,0]=2 6593 B13R1.1249 C=C=Cc1ccc(cc1OC)CC 271570a_100015277604_200010710389 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.1249 C=C=Cc1ccc(cc1OC)CO 271570a_100015277604_100010234685 [0,2,0,0,0,0|1,0,0]=3 6595 B13R1.1249 C=C=Cc1cnc(cc1OC)CO 271570a_100015277604_100010999569 [0,2,0,0,0,0|2,0,0]=4 6596 B13R1.1249 C=Cc1cc(ccc1OCC)CO 271570a_100011290941_200011800839 [0,2,0,0,0,0|1,0,1]=4 6597 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [0,2,0,0,0,0|1,0,1]=4 6598 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [0,2,0,0,0,0|1,0,1]=4 6599 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [0,2,0,0,0,0|1,0,1]=4 6600 B13R1.1249 CC=Cc1ccc(cc1OC)CC 271570a_100016259895_200010710389 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.1249 CC=Cc1ccc(cc1OC)CO 271570a_100016259895_100010234685 [0,2,0,0,0,0|1,0,0]=3 6602 B13R1.1249 CC=Cc1cnc(cc1OC)CO 271570a_100016259895_100010999569 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.1249 CCNc1ccc(cc1OC)CO 2230a_100000087641_100000210202 [0,2,0,0,0,0|1,0,0]=3 6604 B13R1.1249 CCNc1ccc(cc1OC)CO 34a_100000087641_100000210202 [0,2,0,0,0,0|1,0,0]=3 6605 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [0,2,0,0,0,0|1,0,1]=4 6606 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [0,2,0,0,0,0|1,0,1]=4 6607 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [0,2,0,0,0,0|1,0,0]=3 6608 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [0,2,0,0,0,0|1,0,0]=3 6609 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [0,2,0,0,0,0|1,0,0]=3 6610 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 6611 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 6612 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 6613 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 6614 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,2,0,0,0,0|2,0,0]=4 6615 B13R1.1249 CCOc1ccc(cc1SC)CO 62a_200000210301_200011800839 [0,2,0,0,0,0|0,1,0]=3 6616 B13R1.1249 CCOc1ccc(cc1SC)CO 62a_200011800839_200000210301 [0,2,0,0,0,0|0,1,0]=3 6617 B13R1.1249 CCOc1ccc(cc1S[13CH3])CO 62a_200011800839_200025704644 [0,2,0,0,0,0|0,1,0]=3 6618 B13R1.1249 CCOc1ccc(cc1S[13CH3])CO 62a_200025704644_200011800839 [0,2,0,0,0,0|0,1,0]=3 6619 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_100000210202_200010710389 [0,2,0,0,0,0|1,1,0]=4 6620 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_200010710389_100000210202 [0,2,0,0,0,0|1,1,0]=4 6621 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100000210202_100010234685 [0,2,0,0,0,0|0,1,0]=3 6622 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100010234685_100000210202 [0,2,0,0,0,0|0,1,0]=3 6623 B13R1.1249 CCSc1cnc(cc1OC)CO 62a_100000210202_100010999569 [0,2,0,0,0,0|1,1,0]=4 6624 B13R1.1249 CCSc1cnc(cc1OC)CO 62a_100010999569_100000210202 [0,2,0,0,0,0|1,1,0]=4 6625 B13R1.1249 CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000186467 [0,2,0,0,0,0|2,0,0]=4 6626 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [0,2,0,0,0,0|1,0,0]=3 6627 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [0,2,0,0,0,0|1,0,0]=3 6628 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_100015361967_200010710389 [0,2,0,0,0,0|1,1,0]=4 6629 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_200010710389_100015361967 [0,2,0,0,0,0|1,1,0]=4 6630 B13R1.1249 CNCc1ccc(cc1OC)CO 26a_100102657272_100000181344 [0,2,0,0,0,0|1,0,0]=3 6631 B13R1.1249 COCc1ccc(cc1OC)C#N 34a_100000102359_200000210301 [0,2,0,0,0,0|1,0,1]=4 6632 B13R1.1249 COCc1ccc(cc1OC)C#N 7a_100000102359_200000210301 [0,2,0,0,0,0|1,0,1]=4 6633 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|2,0,0]=4 6635 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 34a_100000102359_200025704644 [0,2,0,0,0,0|1,0,1]=4 6636 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 7a_100000102359_200025704644 [0,2,0,0,0,0|1,0,1]=4 6637 B13R1.1249 COc1cc(ccc1NCF)CO 34a_100000087641_100015361967 [0,2,0,0,0,0|1,0,0]=3 6638 B13R1.1249 COc1cc(ccc1OCF)C#N 34a_100000184589_100015361967 [0,2,0,0,0,0|1,0,1]=4 6639 B13R1.1249 COc1cc(ccc1OCF)C#N 7a_100000184589_100015361967 [0,2,0,0,0,0|1,0,1]=4 6640 B13R1.1249 COc1cc(ccc1OCF)CN 34a_100000185554_100015361967 [0,2,0,0,0,0|1,0,0]=3 6641 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100010234685_100015361967 [0,2,0,0,0,0|0,1,0]=3 6642 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100015361967_100010234685 [0,2,0,0,0,0|0,1,0]=3 6643 B13R1.1249 COc1cc(ncc1SCF)CO 62a_100010999569_100015361967 [0,2,0,0,0,0|1,1,0]=4 6644 B13R1.1249 COc1cc(ncc1SCF)CO 62a_100015361967_100010999569 [0,2,0,0,0,0|1,1,0]=4 6645 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|2,0,0]=4 6647 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,2,0,0,0,0|2,0,0]=4 6648 B13R1.2200 C=Cc1cc(c(cc1C=O)O)OC 271570a_100011290941_100000183646 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)O 271570a_100011290941_100000741691 [0,2,0,0,0,0|0,0,2]=4 6650 B13R1.2200 C=Cc1cc(c(cc1F)OC)OC 271570a_100011290941_200011765842 [0,2,0,0,0,0|1,0,1]=4 6651 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [0,2,0,0,0,0|1,0,1]=4 6652 B13R1.2200 CCc1cc(c(cc1C)OC)OC 34a_200010661296_200000210301 [0,2,0,0,0,0|1,0,0]=3 6653 B13R1.2200 CCc1cc(c(cc1C)OC)OC 7a_200010661296_200000210301 [0,2,0,0,0,0|1,0,0]=3 6654 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 34a_200010661296_200025704644 [0,2,0,0,0,0|1,0,0]=3 6655 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 7a_200010661296_200025704644 [0,2,0,0,0,0|1,0,0]=3 6656 B13R1.2200 CCc1cc(c(cc1F)OC)OC 34a_100000070332_200000210301 [0,2,0,0,0,0|1,0,0]=3 6657 B13R1.2200 CCc1cc(c(cc1F)OC)OC 7a_100000070332_200000210301 [0,2,0,0,0,0|1,0,0]=3 6658 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 34a_100000070332_200025704644 [0,2,0,0,0,0|1,0,0]=3 6659 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 7a_100000070332_200025704644 [0,2,0,0,0,0|1,0,0]=3 6660 B13R1.2200 CNc1cc(c(cc1C)OC)OC 34a_100000183460_200000210301 [0,2,0,0,0,0|2,0,0]=4 6661 B13R1.2200 CNc1cc(c(cc1F)OC)OC 34a_100000753170_200000210301 [0,2,0,0,0,0|2,0,0]=4 6662 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [0,2,0,0,0,0|2,0,0]=4 6663 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [0,2,0,0,0,0|2,0,0]=4 6664 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [0,2,0,0,0,0|2,0,0]=4 6665 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [0,2,0,0,0,0|2,0,0]=4 6666 B13R1.2200 COc1cc(c(cc1O)C=O)OC 271570a_203496583355_200009812229 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.2200 COc1cc(c(cc1O)C=O)SC 62a_200000210301_100000183646 [0,2,0,0,0,0|2,0,0]=4 6668 B13R1.2200 COc1cc(c(cc1O)C=O)S[13CH3] 62a_200025704644_100000183646 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.2200 COc1cc(c(cc1O)CO)OC 271570a_203496583355_200010164068 [0,2,0,0,0,0|2,0,0]=4 6670 B13R1.2200 COc1cc(c(cc1O)OC)C=O 271570a_203496583355_100000188581 [0,2,0,0,0,0|0,0,2]=4 6671 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [0,2,0,0,0,0|2,0,0]=4 6672 B13R1.2200 COc1cc(c(cc1O)SC)C=O 62a_200000210301_100000741691 [0,2,0,0,0,0|0,0,2]=4 6673 B13R1.2200 COc1cc(c(cc1O)S[13CH3])C=O 62a_200025704644_100000741691 [0,2,0,0,0,0|0,0,2]=4 6674 B13R1.2200 COc1cc(c(cc1OC)C#N)O 271570a_203496583355_100000188247 [0,2,0,0,0,0|1,0,1]=4 6675 B13R1.2200 COc1cc(c(cc1OC)C=O)O 271570a_203496583355_100000170863 [0,2,0,0,0,0|0,0,2]=4 6676 B13R1.2200 COc1cc(c(cc1OC)CO)O 271570a_203496583355_200000246283 [0,2,0,0,0,0|0,0,0]=2 6677 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])C 34a_100000183460_200025704644 [0,2,0,0,0,0|2,0,0]=4 6678 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])F 34a_100000753170_200025704644 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.2200 COc1cc(c(cc1OC)SC)F 62a_200011765842_200000210301 [0,2,0,0,0,0|2,0,0]=4 6680 B13R1.2200 COc1cc(c(cc1OC)S[13CH3])F 62a_200011765842_200025704644 [0,2,0,0,0,0|2,0,0]=4 6681 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [0,2,0,0,0,0|1,0,1]=4 6682 B13R1.2422 COc1ccc(c(c1OC)C)SC 62a_200000210301_100010000156 [0,2,0,0,0,0|2,0,0]=4 6683 B13R1.2422 COc1ccc(c(c1OC)C)S[13CH3] 62a_200025704644_100010000156 [0,2,0,0,0,0|2,0,0]=4 6684 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [0,2,0,0,0,0|0,0,2]=4 6685 B13R1.2430 C=C(C)c1cc(ccc1C#N)CO 271570a_100000694244_100009876504 [0,2,0,0,0,0|2,0,0]=4 6686 B13R1.2430 C=C(C)c1cc(ccc1CO)CO 271570a_100000694244_100010881536 [0,2,0,0,0,0|1,0,0]=3 6687 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [0,2,0,0,0,0|2,0,0]=4 6688 B13R1.2430 C=C(C)c1cc(ccc1OC)CN 271570a_100000694244_100159240714 [0,2,0,0,0,0|2,0,0]=4 6689 B13R1.2430 C=C(C)c1cc(ccc1OC)CO 271570a_100000694244_100000246451 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.2430 C=C(C)c1nc(ccc1OC)CO 271570a_100000694244_100009842956 [0,2,0,0,0,0|2,0,0]=4 6691 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6692 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6693 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6694 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6695 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CO 34a_100011216038_200000210301 [0,2,0,0,0,0|2,0,0]=4 6696 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CO 7a_100011216038_200000210301 [0,2,0,0,0,0|2,0,0]=4 6697 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CO 34a_100011216038_200025704644 [0,2,0,0,0,0|2,0,0]=4 6698 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CO 7a_100011216038_200025704644 [0,2,0,0,0,0|2,0,0]=4 6699 B13R1.97 CC(=Cc1cc(ccc1C)CO)C 271570a_100102525489_100000050133 [0,2,0,0,0,0|2,0,0]=4 6700 B13R1.97 CC(=Cc1cc(ccc1F)CO)C 271570a_100102525489_100000246287 [0,2,0,0,0,0|2,0,0]=4 6701 B13R1.97 CC(=Cc1cc(ccc1O)CO)C 271570a_100102525489_100011191544 [0,2,0,0,0,0|1,0,0]=3 6702 B13R1.97 CC(=Cc1nc(ccc1O)CO)C 271570a_100102525489_200000118097 [0,2,0,0,0,0|2,0,0]=4 6703 B13R1.97 CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000070787 [0,2,0,0,0,0|2,0,0]=4 6704 B13R1.97 CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000070787 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [0,2,0,0,0,0|1,0,0]=3 6706 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [0,2,0,0,0,0|1,0,0]=3 6707 B13R1.97 CC(C)Nc1cc(ccc1Br)CO 34a_100012347568_100000210206 [0,2,0,0,0,0|2,0,0]=4 6708 B13R1.97 CC(C)Nc1cc(ccc1Cl)CO 34a_106256033963_100000210206 [0,2,0,0,0,0|2,0,0]=4 6709 B13R1.97 CC(C)Nc1cc(ccc1F)CO 2230a_102125399562_100000210206 [0,2,0,0,0,0|2,0,0]=4 6710 B13R1.97 CC(C)Nc1cc(ccc1F)CO 34a_102125399562_100000210206 [0,2,0,0,0,0|2,0,0]=4 6711 B13R1.97 CC(C)Nc1cc(ccc1O)CO 34a_100000123545_100000210206 [0,2,0,0,0,0|1,0,0]=3 6712 B13R1.97 CC(C)Oc1cc(ccc1Br)CO 34a_100010191536_100000210206 [0,2,0,0,0,0|1,0,0]=3 6713 B13R1.97 CC(C)Oc1cc(ccc1Br)CO 7a_100010191536_100000210206 [0,2,0,0,0,0|1,0,0]=3 6714 B13R1.97 CC(C)Oc1cc(ccc1Cl)CN 34a_100020636435_100000210206 [0,2,0,0,0,0|2,0,0]=4 6715 B13R1.97 CC(C)Oc1cc(ccc1Cl)CO 34a_100009876509_100000210206 [0,2,0,0,0,0|1,0,0]=3 6716 B13R1.97 CC(C)Oc1cc(ccc1Cl)CO 7a_100009876509_100000210206 [0,2,0,0,0,0|1,0,0]=3 6717 B13R1.97 CC(C)Oc1cc(ccc1F)CN 34a_100160469508_100000210206 [0,2,0,0,0,0|2,0,0]=4 6718 B13R1.97 CC(C)Oc1cc(ccc1F)CO 34a_100009842347_100000210206 [0,2,0,0,0,0|1,0,0]=3 6719 B13R1.97 CC(C)Oc1cc(ccc1F)CO 7a_100009842347_100000210206 [0,2,0,0,0,0|1,0,0]=3 6720 B13R1.97 CC(C)Oc1cc(ccc1I)CO 34a_100000049605_100000210206 [0,2,0,0,0,0|1,0,0]=3 6721 B13R1.97 CC(C)Oc1cc(ccc1I)CO 7a_100000049605_100000210206 [0,2,0,0,0,0|1,0,0]=3 6722 B13R1.97 CC(C)Sc1cc(ccc1F)CO 62a_100000210206_100000246287 [0,2,0,0,0,0|1,1,0]=4 6723 B13R1.97 CC(C)Sc1cc(ccc1F)CO 62a_100000246287_100000210206 [0,2,0,0,0,0|1,1,0]=4 6724 B13R1.97 CC(C)Sc1cc(ccc1O)CO 62a_100000210206_100011191544 [0,2,0,0,0,0|0,1,0]=3 6725 B13R1.97 CC(C)Sc1cc(ccc1O)CO 62a_100011191544_100000210206 [0,2,0,0,0,0|0,1,0]=3 6726 B13R1.97 CC(C)Sc1nc(ccc1O)CO 62a_100000210206_200000118097 [0,2,0,0,0,0|1,1,0]=4 6727 B13R1.97 CC(C)Sc1nc(ccc1O)CO 62a_200009817064_100000210206 [0,2,0,0,0,0|1,1,0]=4 6728 B13R1.97 CCc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100012339963 [0,2,0,0,0,0|2,0,0]=4 6729 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,2,0,0,0,0|2,0,0]=4 6730 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,2,0,0,0,0|2,0,0]=4 6731 B13R1.97 CCc1ccc(c(c1)NC(C)C)O 34a_100000765835_100000210206 [0,2,0,0,0,0|2,0,0]=4 6732 B13R1.97 CCc1ccc(c(c1)OC(C)C)N 34a_100000124328_100000210206 [0,2,0,0,0,0|2,0,0]=4 6733 B13R1.97 CCc1ccc(c(c1)OC(C)C)N 7a_100000124328_100000210206 [0,2,0,0,0,0|2,0,0]=4 6734 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100000210206_100012339963 [0,2,0,0,0,0|1,1,0]=4 6735 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100012339963_100000210206 [0,2,0,0,0,0|1,1,0]=4 6736 B13R1.97 Cc1ccc(cc1NC(C)C)CO 2230a_100000758420_100000210206 [0,2,0,0,0,0|2,0,0]=4 6737 B13R1.97 Cc1ccc(cc1NC(C)C)CO 34a_100000758420_100000210206 [0,2,0,0,0,0|2,0,0]=4 6738 B13R1.97 Cc1ccc(cc1SC(C)C)CO 62a_100000210206_100000708995 [0,2,0,0,0,0|1,1,0]=4 6739 B13R1.97 Cc1ccc(cc1SC(C)C)CO 62a_100000708995_100000210206 [0,2,0,0,0,0|1,1,0]=4 6740 B13R1.384 CC=Cc1cc(ccc1C)COC 271570a_100016259895_200015395492 [0,2,0,0,0,0|2,0,0]=4 6741 B13R1.384 CC=Cc1cc(ccc1F)COC 271570a_100016259895_200011493689 [0,2,0,0,0,0|2,0,0]=4 6742 B13R1.384 CCNc1cc(ccc1Br)COC 34a_200013033220_100000210202 [0,2,0,0,0,0|2,0,0]=4 6743 B13R1.384 CCNc1ccc(c(c1)OCC)Br 2230a_200016990551_100000210202 [0,2,0,0,0,0|2,0,0]=4 6744 B13R1.384 CCNc1ccc(c(c1)OCC)Br 34a_200016990551_100000210202 [0,2,0,0,0,0|2,0,0]=4 6745 B13R1.384 CCNc1ccc(c(c1)OCC)Br 7a_200016990551_100000210202 [0,2,0,0,0,0|2,0,0]=4 6746 B13R1.384 CCNc1ccc(c(c1)OCC)Cl 2230a_100011964961_100000210202 [0,2,0,0,0,0|2,0,0]=4 6747 B13R1.384 CCNc1ccc(c(c1)OCC)Cl 34a_100011964961_100000210202 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.384 CCOc1cc(ccc1Br)CNC 207a_100102657272_200010381951 [0,2,0,0,0,0|2,0,0]=4 6749 B13R1.384 CCOc1cc(ccc1Br)CNC 270004a_106832991635_200010381951 [0,2,0,0,0,0|2,0,0]=4 6750 B13R1.384 CCOc1cc(ccc1Br)NCF 34a_200016990551_100015361967 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.384 CCOc1cc(ccc1Br)NCF 7a_200016990551_100015361967 [0,2,0,0,0,0|2,0,0]=4 6752 B13R1.384 CCOc1cc(ccc1C)SCC 62a_100000210202_100012361169 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.384 CCOc1cc(ccc1C)SCC 62a_100012361169_100000210202 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.384 CCOc1cc(ccc1C)SCF 62a_100012361169_100015361967 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.384 CCOc1cc(ccc1C)SCF 62a_100015361967_100012361169 [0,2,0,0,0,0|2,0,0]=4 6756 B13R1.384 CCOc1cc(ccc1Cl)NCF 34a_100011964961_100015361967 [0,2,0,0,0,0|2,0,0]=4 6757 B13R1.384 CCOc1cc(ccc1F)CNC 207a_100102657272_200000106648 [0,2,0,0,0,0|2,0,0]=4 6758 B13R1.384 CCOc1cc(ccc1F)CNC 270004a_106832991635_200000106648 [0,2,0,0,0,0|2,0,0]=4 6759 B13R1.384 CCOc1cc(ccc1F)SCC 62a_100000210202_200012344967 [0,2,0,0,0,0|2,0,0]=4 6760 B13R1.384 CCOc1cc(ccc1F)SCC 62a_200012344967_100000210202 [0,2,0,0,0,0|2,0,0]=4 6761 B13R1.384 CCOc1cc(ccc1F)SCF 62a_100015361967_200012344967 [0,2,0,0,0,0|2,0,0]=4 6762 B13R1.384 CCOc1cc(ccc1F)SCF 62a_200012344967_100015361967 [0,2,0,0,0,0|2,0,0]=4 6763 B13R1.384 CCOc1cc(ccc1N)SCC 62a_100000688918_100000210202 [0,2,0,0,0,0|2,0,0]=4 6764 B13R1.384 CCOc1cc(ccc1N)SCF 62a_100000688918_100015361967 [0,2,0,0,0,0|2,0,0]=4 6765 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,2,0,0,0,0|1,0,0]=3 6766 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,2,0,0,0,0|1,0,0]=3 6767 B13R1.384 CCOc1ccc(c(n1)OCC)O 271570a_203496583355_200010081131 [0,2,0,0,0,0|2,0,0]=4 6768 B13R1.384 CCSc1cc(ccc1C)COC 62a_100000210202_200015395492 [0,2,0,0,0,0|1,1,0]=4 6769 B13R1.384 CCSc1cc(ccc1C)COC 62a_200015395492_100000210202 [0,2,0,0,0,0|1,1,0]=4 6770 B13R1.384 CCSc1cc(ccc1F)COC 62a_100000210202_200011493689 [0,2,0,0,0,0|1,1,0]=4 6771 B13R1.384 CCSc1cc(ccc1F)COC 62a_200011493689_100000210202 [0,2,0,0,0,0|1,1,0]=4 6772 B13R1.384 CCSc1ccc(c(c1)CNC)O 62a_100000210202_100011602694 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.384 CCSc1ccc(c(c1)CNC)O 62a_100011602694_100000210202 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.384 CCSc1ccc(c(c1)COC)Br 62a_100000210202_202125822959 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.384 CCSc1ccc(c(c1)COC)Br 62a_202125822959_100000210202 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.384 CCSc1ccc(c(c1)COC)F 62a_100000210202_100010140362 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.384 CCSc1ccc(c(c1)COC)F 62a_100010140362_100000210202 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.384 CNCc1cc(ccc1O)SCF 62a_100011602694_100015361967 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.384 CNCc1cc(ccc1O)SCF 62a_100015361967_100011602694 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.384 COCc1cc(ccc1Br)SCF 62a_100015361967_202125822959 [0,2,0,0,0,0|2,0,0]=4 6781 B13R1.384 COCc1cc(ccc1Br)SCF 62a_202125822959_100015361967 [0,2,0,0,0,0|2,0,0]=4 6782 B13R1.384 COCc1cc(ccc1F)SCF 62a_100010140362_100015361967 [0,2,0,0,0,0|2,0,0]=4 6783 B13R1.384 COCc1cc(ccc1F)SCF 62a_100015361967_100010140362 [0,2,0,0,0,0|2,0,0]=4 6784 B13R1.384 COCc1ccc(c(c1)NCF)Br 34a_200013033220_100015361967 [0,2,0,0,0,0|2,0,0]=4 6785 B13R1.384 COCc1ccc(c(c1)SCF)C 62a_100015361967_200015395492 [0,2,0,0,0,0|1,1,0]=4 6786 B13R1.384 COCc1ccc(c(c1)SCF)C 62a_200015395492_100015361967 [0,2,0,0,0,0|1,1,0]=4 6787 B13R1.384 COCc1ccc(c(c1)SCF)F 62a_100015361967_200011493689 [0,2,0,0,0,0|1,1,0]=4 6788 B13R1.384 COCc1ccc(c(c1)SCF)F 62a_200011493689_100015361967 [0,2,0,0,0,0|1,1,0]=4 6789 B13R1.558 C#CCNc1cc(ccc1Br)CO 34a_100012347568_100000184674 [0,2,0,0,0,0|2,0,0]=4 6790 B13R1.558 C#CCNc1cc(ccc1C)CO 2230a_100000758420_100000038162 [0,2,0,0,0,0|2,0,0]=4 6791 B13R1.558 C#CCNc1cc(ccc1C)CO 34a_100000758420_100000184674 [0,2,0,0,0,0|2,0,0]=4 6792 B13R1.558 C#CCNc1cc(ccc1Cl)CO 34a_106256033963_100000184674 [0,2,0,0,0,0|2,0,0]=4 6793 B13R1.558 C#CCNc1cc(ccc1F)CO 2230a_102125399562_100000038162 [0,2,0,0,0,0|2,0,0]=4 6794 B13R1.558 C#CCNc1cc(ccc1F)CO 34a_102125399562_100000184674 [0,2,0,0,0,0|2,0,0]=4 6795 B13R1.558 C#CCNc1cc(ccc1O)CC 34a_100000765835_100000184674 [0,2,0,0,0,0|2,0,0]=4 6796 B13R1.558 C#CCNc1cc(ccc1O)CO 34a_100000123545_100000184674 [0,2,0,0,0,0|1,0,0]=3 6797 B13R1.558 C#CCOc1cc(ccc1Br)CO 34a_100010191536_100000184674 [0,2,0,0,0,0|1,0,0]=3 6798 B13R1.558 C#CCOc1cc(ccc1Br)CO 7a_100010191536_100000038162 [0,2,0,0,0,0|1,0,0]=3 6799 B13R1.558 C#CCOc1cc(ccc1Cl)CN 34a_100020636435_100000184674 [0,2,0,0,0,0|2,0,0]=4 6800 B13R1.558 C#CCOc1cc(ccc1Cl)CO 34a_100009876509_100000184674 [0,2,0,0,0,0|1,0,0]=3 6801 B13R1.558 C#CCOc1cc(ccc1Cl)CO 7a_100009876509_100000038162 [0,2,0,0,0,0|1,0,0]=3 6802 B13R1.558 C#CCOc1cc(ccc1F)CN 34a_100160469508_100000184674 [0,2,0,0,0,0|2,0,0]=4 6803 B13R1.558 C#CCOc1cc(ccc1F)CO 34a_100009842347_100000184674 [0,2,0,0,0,0|1,0,0]=3 6804 B13R1.558 C#CCOc1cc(ccc1F)CO 7a_100009842347_100000038162 [0,2,0,0,0,0|1,0,0]=3 6805 B13R1.558 C#CCOc1cc(ccc1I)CO 34a_100000049605_100000184674 [0,2,0,0,0,0|1,0,0]=3 6806 B13R1.558 C#CCOc1cc(ccc1I)CO 7a_100000049605_100000038162 [0,2,0,0,0,0|1,0,0]=3 6807 B13R1.558 C#CCOc1cc(ccc1N)CC 34a_100000124328_100000184674 [0,2,0,0,0,0|2,0,0]=4 6808 B13R1.558 C#CCOc1cc(ccc1N)CC 7a_100000124328_100000038162 [0,2,0,0,0,0|2,0,0]=4 6809 B13R1.558 C#CCSc1cc(ccc1C)CO 62a_100000038162_100000708995 [0,2,0,0,0,0|1,1,0]=4 6810 B13R1.558 C#CCSc1cc(ccc1F)CO 62a_100000038162_100000246287 [0,2,0,0,0,0|1,1,0]=4 6811 B13R1.558 C#CCSc1cc(ccc1O)CC 62a_100000038162_100012339963 [0,2,0,0,0,0|1,1,0]=4 6812 B13R1.558 C#CCSc1cc(ccc1O)CO 62a_100000038162_100011191544 [0,2,0,0,0,0|0,1,0]=3 6813 B13R1.558 C#CCSc1nc(ccc1O)CO 62a_100000038162_200000118097 [0,2,0,0,0,0|1,1,0]=4 6814 B13R1.558 C=CCNc1cc(ccc1Br)CO 34a_100012347568_100015514636 [0,2,0,0,0,0|2,0,0]=4 6815 B13R1.558 C=CCNc1cc(ccc1C)CO 2230a_100000758420_100000210623 [0,2,0,0,0,0|2,0,0]=4 6816 B13R1.558 C=CCNc1cc(ccc1C)CO 34a_100000758420_100015514636 [0,2,0,0,0,0|2,0,0]=4 6817 B13R1.558 C=CCNc1cc(ccc1Cl)CO 34a_106256033963_100015514636 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.558 C=CCNc1cc(ccc1F)CO 2230a_102125399562_100000210623 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.558 C=CCNc1cc(ccc1F)CO 34a_102125399562_100015514636 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.558 C=CCNc1cc(ccc1O)CC 34a_100000765835_100015514636 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.558 C=CCNc1cc(ccc1O)CO 34a_100000123545_100015514636 [0,2,0,0,0,0|1,0,0]=3 6822 B13R1.558 C=CCOc1cc(ccc1Br)CO 34a_100010191536_100015514636 [0,2,0,0,0,0|1,0,0]=3 6823 B13R1.558 C=CCOc1cc(ccc1Br)CO 7a_100010191536_100015514636 [0,2,0,0,0,0|1,0,0]=3 6824 B13R1.558 C=CCOc1cc(ccc1Cl)CN 34a_100020636435_100015514636 [0,2,0,0,0,0|2,0,0]=4 6825 B13R1.558 C=CCOc1cc(ccc1Cl)CO 34a_100009876509_100015514636 [0,2,0,0,0,0|1,0,0]=3 6826 B13R1.558 C=CCOc1cc(ccc1Cl)CO 7a_100009876509_100015514636 [0,2,0,0,0,0|1,0,0]=3 6827 B13R1.558 C=CCOc1cc(ccc1F)CN 34a_100160469508_100015514636 [0,2,0,0,0,0|2,0,0]=4 6828 B13R1.558 C=CCOc1cc(ccc1F)CO 34a_100009842347_100015514636 [0,2,0,0,0,0|1,0,0]=3 6829 B13R1.558 C=CCOc1cc(ccc1F)CO 7a_100009842347_100015514636 [0,2,0,0,0,0|1,0,0]=3 6830 B13R1.558 C=CCOc1cc(ccc1I)CO 34a_100000049605_100015514636 [0,2,0,0,0,0|1,0,0]=3 6831 B13R1.558 C=CCOc1cc(ccc1I)CO 7a_100000049605_100015514636 [0,2,0,0,0,0|1,0,0]=3 6832 B13R1.558 C=CCOc1cc(ccc1N)CC 34a_100000124328_100015514636 [0,2,0,0,0,0|2,0,0]=4 6833 B13R1.558 C=CCOc1cc(ccc1N)CC 7a_100000124328_100015514636 [0,2,0,0,0,0|2,0,0]=4 6834 B13R1.558 C=CCSc1cc(ccc1C)CO 62a_100000210623_100000708995 [0,2,0,0,0,0|1,1,0]=4 6835 B13R1.558 C=CCSc1cc(ccc1C)CO 62a_100000708995_100000210623 [0,2,0,0,0,0|1,1,0]=4 6836 B13R1.558 C=CCSc1cc(ccc1F)CO 62a_100000210623_100000246287 [0,2,0,0,0,0|1,1,0]=4 6837 B13R1.558 C=CCSc1cc(ccc1F)CO 62a_100000246287_100000210623 [0,2,0,0,0,0|1,1,0]=4 6838 B13R1.558 C=CCSc1cc(ccc1O)CC 62a_100000210623_100012339963 [0,2,0,0,0,0|1,1,0]=4 6839 B13R1.558 C=CCSc1cc(ccc1O)CC 62a_100012339963_100000210623 [0,2,0,0,0,0|1,1,0]=4 6840 B13R1.558 C=CCSc1cc(ccc1O)CO 62a_100000210623_100011191544 [0,2,0,0,0,0|0,1,0]=3 6841 B13R1.558 C=CCSc1cc(ccc1O)CO 62a_100011191544_100000210623 [0,2,0,0,0,0|0,1,0]=3 6842 B13R1.558 C=CCSc1nc(ccc1O)CO 62a_100000210623_200000118097 [0,2,0,0,0,0|1,1,0]=4 6843 B13R1.558 C=CCSc1nc(ccc1O)CO 62a_200009817064_100000210623 [0,2,0,0,0,0|1,1,0]=4 6844 B13R1.558 CCCCc1cc(ccc1C)CO 271570a_100020621405_100000050133 [0,2,0,0,0,0|2,0,0]=4 6845 B13R1.558 CCCCc1cc(ccc1F)CO 271570a_100020621405_100000246287 [0,2,0,0,0,0|2,0,0]=4 6846 B13R1.558 CCCCc1cc(ccc1O)CC 271570a_100020621405_100012339963 [0,2,0,0,0,0|2,0,0]=4 6847 B13R1.558 CCCCc1cc(ccc1O)CO 271570a_100020621405_100011191544 [0,2,0,0,0,0|1,0,0]=3 6848 B13R1.558 CCCCc1nc(ccc1O)CO 271570a_100020621405_200000118097 [0,2,0,0,0,0|2,0,0]=4 6849 B13R1.558 CCCNc1cc(ccc1Br)CO 34a_100012347568_100000210303 [0,2,0,0,0,0|2,0,0]=4 6850 B13R1.558 CCCNc1cc(ccc1C)CO 2230a_100000758420_100000210303 [0,2,0,0,0,0|2,0,0]=4 6851 B13R1.558 CCCNc1cc(ccc1C)CO 34a_100000758420_100000210303 [0,2,0,0,0,0|2,0,0]=4 6852 B13R1.558 CCCNc1cc(ccc1Cl)CO 34a_106256033963_100000210303 [0,2,0,0,0,0|2,0,0]=4 6853 B13R1.558 CCCNc1cc(ccc1F)CO 2230a_102125399562_100000210303 [0,2,0,0,0,0|2,0,0]=4 6854 B13R1.558 CCCNc1cc(ccc1F)CO 34a_102125399562_100000210303 [0,2,0,0,0,0|2,0,0]=4 6855 B13R1.558 CCCNc1cc(ccc1O)CC 34a_100000765835_100000210303 [0,2,0,0,0,0|2,0,0]=4 6856 B13R1.558 CCCNc1cc(ccc1O)CO 34a_100000123545_100000210303 [0,2,0,0,0,0|1,0,0]=3 6857 B13R1.558 CCCOc1cc(ccc1Br)CO 34a_100010191536_100000210303 [0,2,0,0,0,0|1,0,0]=3 6858 B13R1.558 CCCOc1cc(ccc1Br)CO 7a_100010191536_100000210303 [0,2,0,0,0,0|1,0,0]=3 6859 B13R1.558 CCCOc1cc(ccc1Cl)CN 34a_100020636435_100000210303 [0,2,0,0,0,0|2,0,0]=4 6860 B13R1.558 CCCOc1cc(ccc1Cl)CO 34a_100009876509_100000210303 [0,2,0,0,0,0|1,0,0]=3 6861 B13R1.558 CCCOc1cc(ccc1Cl)CO 7a_100009876509_100000210303 [0,2,0,0,0,0|1,0,0]=3 6862 B13R1.558 CCCOc1cc(ccc1F)CN 34a_100160469508_100000210303 [0,2,0,0,0,0|2,0,0]=4 6863 B13R1.558 CCCOc1cc(ccc1F)CO 34a_100009842347_100000210303 [0,2,0,0,0,0|1,0,0]=3 6864 B13R1.558 CCCOc1cc(ccc1F)CO 7a_100009842347_100000210303 [0,2,0,0,0,0|1,0,0]=3 6865 B13R1.558 CCCOc1cc(ccc1I)CO 34a_100000049605_100000210303 [0,2,0,0,0,0|1,0,0]=3 6866 B13R1.558 CCCOc1cc(ccc1I)CO 7a_100000049605_100000210303 [0,2,0,0,0,0|1,0,0]=3 6867 B13R1.558 CCCOc1cc(ccc1N)CC 34a_100000124328_100000210303 [0,2,0,0,0,0|2,0,0]=4 6868 B13R1.558 CCCOc1cc(ccc1N)CC 7a_100000124328_100000210303 [0,2,0,0,0,0|2,0,0]=4 6869 B13R1.558 CCCSc1cc(ccc1C)CO 62a_100000210303_100000708995 [0,2,0,0,0,0|1,1,0]=4 6870 B13R1.558 CCCSc1cc(ccc1C)CO 62a_100000708995_100000210303 [0,2,0,0,0,0|1,1,0]=4 6871 B13R1.558 CCCSc1cc(ccc1F)CO 62a_100000210303_100000246287 [0,2,0,0,0,0|1,1,0]=4 6872 B13R1.558 CCCSc1cc(ccc1F)CO 62a_100000246287_100000210303 [0,2,0,0,0,0|1,1,0]=4 6873 B13R1.558 CCCSc1cc(ccc1O)CC 62a_100000210303_100012339963 [0,2,0,0,0,0|1,1,0]=4 6874 B13R1.558 CCCSc1cc(ccc1O)CC 62a_100012339963_100000210303 [0,2,0,0,0,0|1,1,0]=4 6875 B13R1.558 CCCSc1cc(ccc1O)CO 62a_100000210303_100011191544 [0,2,0,0,0,0|0,1,0]=3 6876 B13R1.558 CCCSc1cc(ccc1O)CO 62a_100011191544_100000210303 [0,2,0,0,0,0|0,1,0]=3 6877 B13R1.558 CCCSc1nc(ccc1O)CO 62a_100000210303_200000118097 [0,2,0,0,0,0|1,1,0]=4 6878 B13R1.558 CCCSc1nc(ccc1O)CO 62a_200009817064_100000210303 [0,2,0,0,0,0|1,1,0]=4 6879 B13R1.558 CCc1ccc(c(c1)NCC=O)O 34a_100000765835_200009817547 [0,2,0,0,0,0|2,0,0]=4 6880 B13R1.558 CCc1ccc(c(c1)NCCF)O 34a_100000765835_100011217306 [0,2,0,0,0,0|2,0,0]=4 6881 B13R1.558 CCc1ccc(c(c1)NCCO)O 34a_100000765835_100000211926 [0,2,0,0,0,0|2,0,0]=4 6882 B13R1.558 CCc1ccc(c(c1)NCOC)C 2230a_200012022522_100000766300 [0,2,0,0,0,0|2,0,0]=4 6883 B13R1.558 CCc1ccc(c(c1)NCSC)O 34a_100000765835_100011218213 [0,2,0,0,0,0|1,1,0]=4 6884 B13R1.558 CCc1ccc(c(c1)OCC#N)N 7a_100000124328_100011215382 [0,2,0,0,0,0|2,0,0]=4 6885 B13R1.558 CCc1ccc(c(c1)OCC=O)N 34a_100000124328_200009817547 [0,2,0,0,0,0|2,0,0]=4 6886 B13R1.558 CCc1ccc(c(c1)OCC=O)N 7a_100000124328_200015260668 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.558 CCc1ccc(c(c1)OCCF)N 34a_100000124328_100011217306 [0,2,0,0,0,0|2,0,0]=4 6888 B13R1.558 CCc1ccc(c(c1)OCCF)N 7a_100000124328_100011217306 [0,2,0,0,0,0|2,0,0]=4 6889 B13R1.558 CCc1ccc(c(c1)OCCO)N 34a_100000124328_100000211926 [0,2,0,0,0,0|2,0,0]=4 6890 B13R1.558 CCc1ccc(c(c1)OCCO)N 7a_100000124328_100000211926 [0,2,0,0,0,0|2,0,0]=4 6891 B13R1.558 CCc1ccc(c(c1)OCSC)N 34a_100000124328_100011218213 [0,2,0,0,0,0|2,0,0]=4 6892 B13R1.558 CCc1ccc(c(c1)SCC#N)O 62a_100011215382_100012339963 [0,2,0,0,0,0|1,1,0]=4 6893 B13R1.558 CCc1ccc(c(c1)SCC#N)O 62a_100012339963_100011215382 [0,2,0,0,0,0|1,1,0]=4 6894 B13R1.558 CCc1ccc(c(c1)SCC=O)O 62a_100012339963_200015260668 [0,2,0,0,0,0|1,1,0]=4 6895 B13R1.558 CCc1ccc(c(c1)SCC=O)O 62a_200015260668_100012339963 [0,2,0,0,0,0|1,1,0]=4 6896 B13R1.558 CCc1ccc(c(c1)SCCF)O 62a_100011217306_100012339963 [0,2,0,0,0,0|1,1,0]=4 6897 B13R1.558 CCc1ccc(c(c1)SCCF)O 62a_100012339963_100011217306 [0,2,0,0,0,0|1,1,0]=4 6898 B13R1.558 CCc1ccc(c(c1)SCCO)O 62a_100000211926_100012339963 [0,2,0,0,0,0|1,1,0]=4 6899 B13R1.558 CCc1ccc(c(c1)SCCO)O 62a_100012339963_100000211926 [0,2,0,0,0,0|1,1,0]=4 6900 B13R1.558 CCc1ccc(c(c1)SCOC)F 62a_100000766300_200010244628 [0,2,0,0,0,0|2,0,0]=4 6901 B13R1.558 CCc1ccc(c(c1)SCOC)F 62a_200010244628_100000766300 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.558 CCc1ccc(c(c1)SCOC)N 62a_100000766300_100012339725 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.558 CCc1ccc(c(c1)SCOC)N 62a_100012339725_100000766300 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100000766300_100012339963 [0,2,0,0,0,0|1,0,0]=3 6905 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100012339963_100000766300 [0,2,0,0,0,0|1,0,0]=3 6906 B13R1.558 CCc1ccc(c(c1)SCSC)O 62a_100011218213_100012339963 [0,2,0,0,0,0|1,1,0]=4 6907 B13R1.558 CCc1ccc(c(c1)SCSC)O 62a_100012339963_100011218213 [0,2,0,0,0,0|1,1,0]=4 6908 B13R1.558 COCNc1cc(ccc1C)CO 2230a_100000758420_100000766300 [0,2,0,0,0,0|1,0,0]=3 6909 B13R1.558 COCNc1cc(ccc1F)CO 2230a_102125399562_100000766300 [0,2,0,0,0,0|1,0,0]=3 6910 B13R1.558 COCSc1cc(ccc1C)CO 62a_100000708995_100000766300 [0,2,0,0,0,0|1,0,0]=3 6911 B13R1.558 COCSc1cc(ccc1C)CO 62a_100000766300_100000708995 [0,2,0,0,0,0|1,0,0]=3 6912 B13R1.558 COCSc1cc(ccc1F)CN 62a_100000766300_100015193890 [0,2,0,0,0,0|2,0,0]=4 6913 B13R1.558 COCSc1cc(ccc1F)CN 62a_100015193890_100000766300 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.558 COCSc1cc(ccc1F)CO 62a_100000246287_100000766300 [0,2,0,0,0,0|1,0,0]=3 6915 B13R1.558 COCSc1cc(ccc1F)CO 62a_100000766300_100000246287 [0,2,0,0,0,0|1,0,0]=3 6916 B13R1.558 COCSc1cc(ccc1O)C#N 62a_100000766300_100000725478 [0,2,0,0,0,0|1,0,1]=4 6917 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000184552_100000766300 [0,2,0,0,0,0|0,0,2]=4 6918 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000766300_100000184552 [0,2,0,0,0,0|0,0,2]=4 6919 B13R1.558 COCSc1cc(ccc1O)CO 62a_100000766300_100011191544 [0,2,0,0,0,0|0,0,0]=2 6920 B13R1.558 COCSc1cc(ccc1O)CO 62a_100011191544_100000766300 [0,2,0,0,0,0|0,0,0]=2 6921 B13R1.558 COCSc1cc(ccc1O)OC 62a_100000766300_100000685887 [0,2,0,0,0,0|2,0,0]=4 6922 B13R1.558 COCSc1cc(cnc1Cl)CO 62a_100000766300_200015217190 [0,2,0,0,0,0|2,0,0]=4 6923 B13R1.558 COCSc1cc(cnc1Cl)CO 62a_200015217190_100000766300 [0,2,0,0,0,0|2,0,0]=4 6924 B13R1.558 COCSc1cc(cnc1N)CO 62a_100000766300_100012343677 [0,2,0,0,0,0|2,0,0]=4 6925 B13R1.558 COCSc1cc(cnc1N)CO 62a_100012343677_100000766300 [0,2,0,0,0,0|2,0,0]=4 6926 B13R1.558 COCSc1cc(ncc1C)CO 62a_100000766300_100010113723 [0,2,0,0,0,0|2,0,0]=4 6927 B13R1.558 COCSc1cc(ncc1C)CO 62a_100010113723_100000766300 [0,2,0,0,0,0|2,0,0]=4 6928 B13R1.558 COCSc1nc(ccc1O)CO 62a_100000766300_200000118097 [0,2,0,0,0,0|1,0,0]=3 6929 B13R1.558 COCSc1nc(ccc1O)CO 62a_200009817064_100000766300 [0,2,0,0,0,0|1,0,0]=3 6930 B13R1.558 CSCNc1cc(ccc1Br)CO 34a_100012347568_100011218213 [0,2,0,0,0,0|1,1,0]=4 6931 B13R1.558 CSCNc1cc(ccc1C)CO 2230a_100000758420_100011218213 [0,2,0,0,0,0|1,1,0]=4 6932 B13R1.558 CSCNc1cc(ccc1C)CO 34a_100000758420_100011218213 [0,2,0,0,0,0|1,1,0]=4 6933 B13R1.558 CSCNc1cc(ccc1Cl)CO 34a_106256033963_100011218213 [0,2,0,0,0,0|1,1,0]=4 6934 B13R1.558 CSCNc1cc(ccc1F)CO 2230a_102125399562_100011218213 [0,2,0,0,0,0|1,1,0]=4 6935 B13R1.558 CSCNc1cc(ccc1F)CO 34a_102125399562_100011218213 [0,2,0,0,0,0|1,1,0]=4 6936 B13R1.558 CSCNc1cc(ccc1O)CO 34a_100000123545_100011218213 [0,2,0,0,0,0|0,1,0]=3 6937 B13R1.558 CSCOc1cc(ccc1Br)CO 34a_100010191536_100011218213 [0,2,0,0,0,0|1,0,0]=3 6938 B13R1.558 CSCOc1cc(ccc1Cl)CN 34a_100020636435_100011218213 [0,2,0,0,0,0|2,0,0]=4 6939 B13R1.558 CSCOc1cc(ccc1Cl)CO 34a_100009876509_100011218213 [0,2,0,0,0,0|1,0,0]=3 6940 B13R1.558 CSCOc1cc(ccc1F)CN 34a_100160469508_100011218213 [0,2,0,0,0,0|2,0,0]=4 6941 B13R1.558 CSCOc1cc(ccc1F)CO 34a_100009842347_100011218213 [0,2,0,0,0,0|1,0,0]=3 6942 B13R1.558 CSCOc1cc(ccc1I)CO 34a_100000049605_100011218213 [0,2,0,0,0,0|1,0,0]=3 6943 B13R1.558 CSCSc1cc(ccc1C)CO 62a_100000708995_100011218213 [0,2,0,0,0,0|1,1,0]=4 6944 B13R1.558 CSCSc1cc(ccc1C)CO 62a_100011218213_100000708995 [0,2,0,0,0,0|1,1,0]=4 6945 B13R1.558 CSCSc1cc(ccc1F)CO 62a_100000246287_100011218213 [0,2,0,0,0,0|1,1,0]=4 6946 B13R1.558 CSCSc1cc(ccc1F)CO 62a_100011218213_100000246287 [0,2,0,0,0,0|1,1,0]=4 6947 B13R1.558 CSCSc1cc(ccc1O)CO 62a_100011191544_100011218213 [0,2,0,0,0,0|0,1,0]=3 6948 B13R1.558 CSCSc1cc(ccc1O)CO 62a_100011218213_100011191544 [0,2,0,0,0,0|0,1,0]=3 6949 B13R1.558 CSCSc1nc(ccc1O)CO 62a_100011218213_200000118097 [0,2,0,0,0,0|1,1,0]=4 6950 B13R1.558 CSCSc1nc(ccc1O)CO 62a_200009817064_100011218213 [0,2,0,0,0,0|1,1,0]=4 6951 B13R1.558 Cc1ccc(cc1NCC#N)CO 2230a_100000758420_100011215382 [0,2,0,0,0,0|2,0,0]=4 6952 B13R1.558 Cc1ccc(cc1NCC=O)CO 2230a_100000758420_200015260668 [0,2,0,0,0,0|2,0,0]=4 6953 B13R1.558 Cc1ccc(cc1NCC=O)CO 34a_100000758420_200009817547 [0,2,0,0,0,0|2,0,0]=4 6954 B13R1.558 Cc1ccc(cc1NCCF)CO 2230a_100000758420_100011217306 [0,2,0,0,0,0|2,0,0]=4 6955 B13R1.558 Cc1ccc(cc1NCCF)CO 34a_100000758420_100011217306 [0,2,0,0,0,0|2,0,0]=4 6956 B13R1.558 Cc1ccc(cc1NCCO)CO 2230a_100000758420_100000211926 [0,2,0,0,0,0|2,0,0]=4 6957 B13R1.558 Cc1ccc(cc1NCCO)CO 34a_100000758420_100000211926 [0,2,0,0,0,0|2,0,0]=4 6958 B13R1.558 Cc1ccc(cc1SCC#N)CO 62a_100000708995_100011215382 [0,2,0,0,0,0|1,1,0]=4 6959 B13R1.558 Cc1ccc(cc1SCC#N)CO 62a_100011215382_100000708995 [0,2,0,0,0,0|1,1,0]=4 6960 B13R1.558 Cc1ccc(cc1SCC=O)CO 62a_100000708995_200015260668 [0,2,0,0,0,0|1,1,0]=4 6961 B13R1.558 Cc1ccc(cc1SCC=O)CO 62a_200015260668_100000708995 [0,2,0,0,0,0|1,1,0]=4 6962 B13R1.558 Cc1ccc(cc1SCCF)CO 62a_100000708995_100011217306 [0,2,0,0,0,0|1,1,0]=4 6963 B13R1.558 Cc1ccc(cc1SCCF)CO 62a_100011217306_100000708995 [0,2,0,0,0,0|1,1,0]=4 6964 B13R1.558 Cc1ccc(cc1SCCO)CO 62a_100000211926_100000708995 [0,2,0,0,0,0|1,1,0]=4 6965 B13R1.558 Cc1ccc(cc1SCCO)CO 62a_100000708995_100000211926 [0,2,0,0,0,0|1,1,0]=4 6966 B13R1.558 N#CCNc1cc(ccc1F)CO 2230a_102125399562_100011215382 [0,2,0,0,0,0|2,0,0]=4 6967 B13R1.558 N#CCOc1cc(ccc1Br)CO 7a_100010191536_100011215382 [0,2,0,0,0,0|1,0,0]=3 6968 B13R1.558 N#CCOc1cc(ccc1Cl)CO 7a_100009876509_100011215382 [0,2,0,0,0,0|1,0,0]=3 6969 B13R1.558 N#CCOc1cc(ccc1F)CO 7a_100009842347_100011215382 [0,2,0,0,0,0|1,0,0]=3 6970 B13R1.558 N#CCOc1cc(ccc1I)CO 7a_100000049605_100011215382 [0,2,0,0,0,0|1,0,0]=3 6971 B13R1.558 N#CCSc1cc(ccc1F)CO 62a_100000246287_100011215382 [0,2,0,0,0,0|1,1,0]=4 6972 B13R1.558 N#CCSc1cc(ccc1F)CO 62a_100011215382_100000246287 [0,2,0,0,0,0|1,1,0]=4 6973 B13R1.558 N#CCSc1cc(ccc1O)CO 62a_100011191544_100011215382 [0,2,0,0,0,0|0,1,0]=3 6974 B13R1.558 N#CCSc1cc(ccc1O)CO 62a_100011215382_100011191544 [0,2,0,0,0,0|0,1,0]=3 6975 B13R1.558 N#CCSc1nc(ccc1O)CO 62a_100011215382_200000118097 [0,2,0,0,0,0|1,1,0]=4 6976 B13R1.558 N#CCSc1nc(ccc1O)CO 62a_200009817064_100011215382 [0,2,0,0,0,0|1,1,0]=4 6977 B13R1.558 NCc1ccc(c(c1)OCC=O)Cl 34a_100020636435_200009817547 [0,2,0,0,0,0|2,0,0]=4 6978 B13R1.558 NCc1ccc(c(c1)OCC=O)F 34a_100160469508_200009817547 [0,2,0,0,0,0|2,0,0]=4 6979 B13R1.558 NCc1ccc(c(c1)OCCF)Cl 34a_100020636435_100011217306 [0,2,0,0,0,0|2,0,0]=4 6980 B13R1.558 NCc1ccc(c(c1)OCCF)F 34a_100160469508_100011217306 [0,2,0,0,0,0|2,0,0]=4 6981 B13R1.558 NCc1ccc(c(c1)OCCO)Cl 34a_100020636435_100000211926 [0,2,0,0,0,0|2,0,0]=4 6982 B13R1.558 NCc1ccc(c(c1)OCCO)F 34a_100160469508_100000211926 [0,2,0,0,0,0|2,0,0]=4 6983 B13R1.558 O=CCNc1cc(ccc1Br)CO 34a_100012347568_200009817547 [0,2,0,0,0,0|2,0,0]=4 6984 B13R1.558 O=CCNc1cc(ccc1Cl)CO 34a_106256033963_200009817547 [0,2,0,0,0,0|2,0,0]=4 6985 B13R1.558 O=CCNc1cc(ccc1F)CO 2230a_102125399562_200015260668 [0,2,0,0,0,0|2,0,0]=4 6986 B13R1.558 O=CCNc1cc(ccc1F)CO 34a_102125399562_200009817547 [0,2,0,0,0,0|2,0,0]=4 6987 B13R1.558 O=CCNc1cc(ccc1O)CO 34a_100000123545_200009817547 [0,2,0,0,0,0|1,0,0]=3 6988 B13R1.558 O=CCOc1cc(ccc1Br)CO 34a_100010191536_200009817547 [0,2,0,0,0,0|1,0,0]=3 6989 B13R1.558 O=CCOc1cc(ccc1Br)CO 7a_100010191536_200015260668 [0,2,0,0,0,0|1,0,0]=3 6990 B13R1.558 O=CCOc1cc(ccc1Cl)CO 34a_100009876509_200009817547 [0,2,0,0,0,0|1,0,0]=3 6991 B13R1.558 O=CCOc1cc(ccc1Cl)CO 7a_100009876509_200015260668 [0,2,0,0,0,0|1,0,0]=3 6992 B13R1.558 O=CCOc1cc(ccc1F)CO 34a_100009842347_200009817547 [0,2,0,0,0,0|1,0,0]=3 6993 B13R1.558 O=CCOc1cc(ccc1F)CO 7a_100009842347_200015260668 [0,2,0,0,0,0|1,0,0]=3 6994 B13R1.558 O=CCOc1cc(ccc1I)CO 34a_100000049605_200009817547 [0,2,0,0,0,0|1,0,0]=3 6995 B13R1.558 O=CCOc1cc(ccc1I)CO 7a_100000049605_200015260668 [0,2,0,0,0,0|1,0,0]=3 6996 B13R1.558 O=CCSc1cc(ccc1F)CO 62a_100000246287_200015260668 [0,2,0,0,0,0|1,1,0]=4 6997 B13R1.558 O=CCSc1cc(ccc1F)CO 62a_200015260668_100000246287 [0,2,0,0,0,0|1,1,0]=4 6998 B13R1.558 O=CCSc1cc(ccc1O)CO 62a_100011191544_200015260668 [0,2,0,0,0,0|0,1,0]=3 6999 B13R1.558 O=CCSc1cc(ccc1O)CO 62a_200015260668_100011191544 [0,2,0,0,0,0|0,1,0]=3 7000 B13R1.558 O=CCSc1nc(ccc1O)CO 62a_200009817064_200015260668 [0,2,0,0,0,0|1,1,0]=4 7001 B13R1.558 O=CCSc1nc(ccc1O)CO 62a_200015260668_200000118097 [0,2,0,0,0,0|1,1,0]=4 7002 B13R1.558 OCCNc1cc(ccc1Br)CO 34a_100012347568_100000211926 [0,2,0,0,0,0|2,0,0]=4 7003 B13R1.558 OCCNc1cc(ccc1Cl)CO 34a_106256033963_100000211926 [0,2,0,0,0,0|2,0,0]=4 7004 B13R1.558 OCCNc1cc(ccc1F)CO 2230a_102125399562_100000211926 [0,2,0,0,0,0|2,0,0]=4 7005 B13R1.558 OCCNc1cc(ccc1F)CO 34a_102125399562_100000211926 [0,2,0,0,0,0|2,0,0]=4 7006 B13R1.558 OCCNc1cc(ccc1O)CO 34a_100000123545_100000211926 [0,2,0,0,0,0|1,0,0]=3 7007 B13R1.558 OCCOc1cc(ccc1Br)CO 34a_100010191536_100000211926 [0,2,0,0,0,0|1,0,0]=3 7008 B13R1.558 OCCOc1cc(ccc1Br)CO 7a_100010191536_100000211926 [0,2,0,0,0,0|1,0,0]=3 7009 B13R1.558 OCCOc1cc(ccc1Cl)CO 34a_100009876509_100000211926 [0,2,0,0,0,0|1,0,0]=3 7010 B13R1.558 OCCOc1cc(ccc1Cl)CO 7a_100009876509_100000211926 [0,2,0,0,0,0|1,0,0]=3 7011 B13R1.558 OCCOc1cc(ccc1F)CO 34a_100009842347_100000211926 [0,2,0,0,0,0|1,0,0]=3 7012 B13R1.558 OCCOc1cc(ccc1F)CO 7a_100009842347_100000211926 [0,2,0,0,0,0|1,0,0]=3 7013 B13R1.558 OCCOc1cc(ccc1I)CO 34a_100000049605_100000211926 [0,2,0,0,0,0|1,0,0]=3 7014 B13R1.558 OCCOc1cc(ccc1I)CO 7a_100000049605_100000211926 [0,2,0,0,0,0|1,0,0]=3 7015 B13R1.558 OCCSc1cc(ccc1F)CO 62a_100000211926_100000246287 [0,2,0,0,0,0|1,1,0]=4 7016 B13R1.558 OCCSc1cc(ccc1F)CO 62a_100000246287_100000211926 [0,2,0,0,0,0|1,1,0]=4 7017 B13R1.558 OCCSc1cc(ccc1O)CO 62a_100000211926_100011191544 [0,2,0,0,0,0|0,1,0]=3 7018 B13R1.558 OCCSc1cc(ccc1O)CO 62a_100011191544_100000211926 [0,2,0,0,0,0|0,1,0]=3 7019 B13R1.558 OCCSc1nc(ccc1O)CO 62a_100000211926_200000118097 [0,2,0,0,0,0|1,1,0]=4 7020 B13R1.558 OCCSc1nc(ccc1O)CO 62a_200009817064_100000211926 [0,2,0,0,0,0|1,1,0]=4 7021 B13R1.558 OCc1ccc(c(c1)NCCF)Br 34a_100012347568_100011217306 [0,2,0,0,0,0|2,0,0]=4 7022 B13R1.558 OCc1ccc(c(c1)NCCF)Cl 34a_106256033963_100011217306 [0,2,0,0,0,0|2,0,0]=4 7023 B13R1.558 OCc1ccc(c(c1)NCCF)F 2230a_102125399562_100011217306 [0,2,0,0,0,0|2,0,0]=4 7024 B13R1.558 OCc1ccc(c(c1)NCCF)F 34a_102125399562_100011217306 [0,2,0,0,0,0|2,0,0]=4 7025 B13R1.558 OCc1ccc(c(c1)NCCF)O 34a_100000123545_100011217306 [0,2,0,0,0,0|1,0,0]=3 7026 B13R1.558 OCc1ccc(c(c1)OCCF)Br 34a_100010191536_100011217306 [0,2,0,0,0,0|1,0,0]=3 7027 B13R1.558 OCc1ccc(c(c1)OCCF)Br 7a_100010191536_100011217306 [0,2,0,0,0,0|1,0,0]=3 7028 B13R1.558 OCc1ccc(c(c1)OCCF)Cl 34a_100009876509_100011217306 [0,2,0,0,0,0|1,0,0]=3 7029 B13R1.558 OCc1ccc(c(c1)OCCF)Cl 7a_100009876509_100011217306 [0,2,0,0,0,0|1,0,0]=3 7030 B13R1.558 OCc1ccc(c(c1)OCCF)F 34a_100009842347_100011217306 [0,2,0,0,0,0|1,0,0]=3 7031 B13R1.558 OCc1ccc(c(c1)OCCF)F 7a_100009842347_100011217306 [0,2,0,0,0,0|1,0,0]=3 7032 B13R1.558 OCc1ccc(c(c1)OCCF)I 34a_100000049605_100011217306 [0,2,0,0,0,0|1,0,0]=3 7033 B13R1.558 OCc1ccc(c(c1)OCCF)I 7a_100000049605_100011217306 [0,2,0,0,0,0|1,0,0]=3 7034 B13R1.558 OCc1ccc(c(c1)SCCF)F 62a_100000246287_100011217306 [0,2,0,0,0,0|1,1,0]=4 7035 B13R1.558 OCc1ccc(c(c1)SCCF)F 62a_100011217306_100000246287 [0,2,0,0,0,0|1,1,0]=4 7036 B13R1.558 OCc1ccc(c(c1)SCCF)O 62a_100011191544_100011217306 [0,2,0,0,0,0|0,1,0]=3 7037 B13R1.558 OCc1ccc(c(c1)SCCF)O 62a_100011217306_100011191544 [0,2,0,0,0,0|0,1,0]=3 7038 B13R1.558 OCc1ccc(c(n1)SCCF)O 62a_100011217306_200000118097 [0,2,0,0,0,0|1,1,0]=4 7039 B13R1.558 OCc1ccc(c(n1)SCCF)O 62a_200009817064_100011217306 [0,2,0,0,0,0|1,1,0]=4 7040 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,2,0,0,0,0|1,0,1]=4 7041 B13R1.2431 CCC(=O)c1cc(ccc1Br)CO 1458a_100010259715_100000210202 [0,2,0,0,0,0|2,0,0]=4 7042 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,2,0,0,0,0|2,0,0]=4 7043 B13R1.2431 CCC(=O)c1cc(ccc1O)CO 1458a_200000045694_100000210202 [0,2,0,0,0,0|1,0,0]=3 7044 B13R1.2431 CCc1ccc(c(c1)C(=O)CF)O 1458a_200000748397_100015361967 [0,2,0,0,0,0|2,0,0]=4 7045 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 7046 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 7047 B13R1.2431 CCc1ccc(c(c1)C(C)NC)O 269862a_106832991636_100000230022 [0,2,0,0,0,0|2,0,0]=4 7048 B13R1.2431 CNC(=O)c1cc(ccc1Br)CO 240690a_100102657272_100010259715 [0,2,0,0,0,0|2,0,0]=4 7049 B13R1.2431 CNC(=O)c1cc(ccc1O)CO 240690a_100102657272_200000045694 [0,2,0,0,0,0|1,0,0]=3 7050 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,2,0,0,0,0|1,0,1]=4 7051 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,2,0,0,0,0|0,0,2]=4 7052 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|1,0,0]=3 7053 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|2,0,0]=4 7054 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|2,0,0]=4 7055 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|2,0,0]=4 7056 B13R1.2431 O=C(CF)c1cc(ccc1Br)CO 1458a_100010259715_100015361967 [0,2,0,0,0,0|2,0,0]=4 7057 B13R1.2431 O=C(CF)c1cc(ccc1O)CO 1458a_200000045694_100015361967 [0,2,0,0,0,0|1,0,0]=3 7058 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,2,0,0,0,0|1,0,1]=4 7059 B13R1.2900 CC=Cc1cc(c(cc1F)F)CO 271570a_100016259895_100016029355 [0,2,0,0,0,0|2,0,0]=4 7060 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,2,0,0,0,0|1,0,1]=4 7061 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 34a_100000718616_100000210202 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 7a_100000718616_100000210202 [0,2,0,0,0,0|2,0,0]=4 7063 B13R1.2900 CCNc1cc(c(cc1Br)C)OC 34a_100010244135_100000210202 [0,2,0,0,0,0|2,0,0]=4 7064 B13R1.2900 CCNc1cc(c(cc1Br)C)OC 7a_100010244135_100000210202 [0,2,0,0,0,0|2,0,0]=4 7065 B13R1.2900 CCNc1cc(c(cc1Br)Cl)OC 34a_100013022580_100000210202 [0,2,0,0,0,0|2,0,0]=4 7066 B13R1.2900 CCNc1cc(c(cc1Br)Cl)OC 7a_100013022580_100000210202 [0,2,0,0,0,0|2,0,0]=4 7067 B13R1.2900 CCNc1cc(c(cc1Br)F)OC 34a_100010208193_100000210202 [0,2,0,0,0,0|2,0,0]=4 7068 B13R1.2900 CCNc1cc(c(cc1Br)F)OC 7a_100010208193_100000210202 [0,2,0,0,0,0|2,0,0]=4 7069 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100000210202 [0,2,0,0,0,0|2,0,0]=4 7070 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100000210202 [0,2,0,0,0,0|2,0,0]=4 7071 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 2230a_100009858536_100000210202 [0,2,0,0,0,0|2,0,0]=4 7072 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 34a_100009858536_100000210202 [0,2,0,0,0,0|2,0,0]=4 7073 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 7a_100009858536_100000210202 [0,2,0,0,0,0|2,0,0]=4 7074 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 34a_100012361290_100000210202 [0,2,0,0,0,0|2,0,0]=4 7075 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 7a_100012361290_100000210202 [0,2,0,0,0,0|2,0,0]=4 7076 B13R1.2900 CCNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_100000210202 [0,2,0,0,0,0|2,0,0]=4 7077 B13R1.2900 CCNc1cc(c(cc1Cl)F)OC 34a_100009958774_100000210202 [0,2,0,0,0,0|2,0,0]=4 7078 B13R1.2900 CCNc1cc(c(cc1Cl)F)OC 7a_100009958774_100000210202 [0,2,0,0,0,0|2,0,0]=4 7079 B13R1.2900 CCNc1cc(c(cc1F)Cl)OC 34a_100009872666_100000210202 [0,2,0,0,0,0|2,0,0]=4 7080 B13R1.2900 CCNc1cc(c(cc1F)Cl)OC 7a_100009872666_100000210202 [0,2,0,0,0,0|2,0,0]=4 7081 B13R1.2900 CCOc1cc(c(cc1F)Br)CC 34a_100011156610_100000210202 [0,2,0,0,0,0|2,0,0]=4 7082 B13R1.2900 CCOc1cc(c(cc1F)Br)CC 7a_100011156610_100000210202 [0,2,0,0,0,0|2,0,0]=4 7083 B13R1.2900 CCOc1cc(c(cc1O)O)C#N 271570a_203496583355_100009814618 [0,2,0,0,0,0|1,0,1]=4 7084 B13R1.2900 CCOc1cc(c(cc1O)O)C=O 271570a_203496583355_100009812231 [0,2,0,0,0,0|0,0,2]=4 7085 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_100000210202_200014006352 [0,2,0,0,0,0|2,0,0]=4 7086 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_200014006352_100000210202 [0,2,0,0,0,0|2,0,0]=4 7087 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100000210202_100011009880 [0,2,0,0,0,0|2,0,0]=4 7088 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100011009880_100000210202 [0,2,0,0,0,0|2,0,0]=4 7089 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100000210202_100010141321 [0,2,0,0,0,0|2,0,0]=4 7090 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100010141321_100000210202 [0,2,0,0,0,0|2,0,0]=4 7091 B13R1.2900 CCSc1cc(c(cc1F)Cl)OC 62a_100000210202_100010739614 [0,2,0,0,0,0|2,0,0]=4 7092 B13R1.2900 CCSc1cc(c(cc1F)Cl)OC 62a_100010739614_100000210202 [0,2,0,0,0,0|2,0,0]=4 7093 B13R1.2900 CCSc1cc(c(cc1F)F)CO 62a_100000210202_100016029355 [0,2,0,0,0,0|1,1,0]=4 7094 B13R1.2900 CCSc1cc(c(cc1F)F)CO 62a_100016029355_100000210202 [0,2,0,0,0,0|1,1,0]=4 7095 B13R1.2900 CCSc1cc(c(cc1F)F)OC 62a_100000210202_200015541288 [0,2,0,0,0,0|2,0,0]=4 7096 B13R1.2900 CCSc1cc(c(cc1F)F)OC 62a_200015541288_100000210202 [0,2,0,0,0,0|2,0,0]=4 7097 B13R1.2900 CCSc1cc(c(cc1F)N)OC 62a_100000210202_100012766639 [0,2,0,0,0,0|2,0,0]=4 7098 B13R1.2900 CCSc1cc(c(cc1F)N)OC 62a_100012766639_100000210202 [0,2,0,0,0,0|2,0,0]=4 7099 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [0,2,0,0,0,0|1,0,0]=3 7100 B13R1.2900 CCSc1cc(c(cc1N)C)OC 62a_100000210202_200010584344 [0,2,0,0,0,0|2,0,0]=4 7101 B13R1.2900 CCSc1cc(c(cc1N)C)OC 62a_200010584344_100000210202 [0,2,0,0,0,0|2,0,0]=4 7102 B13R1.2900 CCSc1cc(c(cc1N)F)OC 62a_100000210202_100010365326 [0,2,0,0,0,0|2,0,0]=4 7103 B13R1.2900 CCSc1cc(c(cc1N)F)OC 62a_100010365326_100000210202 [0,2,0,0,0,0|2,0,0]=4 7104 B13R1.2900 CCc1cc(c(cc1Br)F)OCF 34a_100011156610_100015361967 [0,2,0,0,0,0|2,0,0]=4 7105 B13R1.2900 CCc1cc(c(cc1Br)F)OCF 7a_100011156610_100015361967 [0,2,0,0,0,0|2,0,0]=4 7106 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 207a_100102657272_100010996155 [0,2,0,0,0,0|2,0,0]=4 7107 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 270004a_106832991635_100010996155 [0,2,0,0,0,0|2,0,0]=4 7108 B13R1.2900 CNCc1cc(c(cc1Br)F)OC 207a_100102657272_100010366953 [0,2,0,0,0,0|2,0,0]=4 7109 B13R1.2900 CNCc1cc(c(cc1Br)F)OC 270004a_106832991635_100010366953 [0,2,0,0,0,0|2,0,0]=4 7110 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 207a_100102657272_100000695681 [0,2,0,0,0,0|2,0,0]=4 7111 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 270004a_106832991635_100000695681 [0,2,0,0,0,0|2,0,0]=4 7112 B13R1.2900 CNCc1cc(c(cc1F)Cl)OC 207a_100102657272_100000050388 [0,2,0,0,0,0|2,0,0]=4 7113 B13R1.2900 CNCc1cc(c(cc1F)Cl)OC 270004a_106832991635_100000050388 [0,2,0,0,0,0|2,0,0]=4 7114 B13R1.2900 CNCc1cc(c(cc1F)F)OC 207a_100102657272_100010630602 [0,2,0,0,0,0|2,0,0]=4 7115 B13R1.2900 CNCc1cc(c(cc1F)F)OC 270004a_106832991635_100010630602 [0,2,0,0,0,0|2,0,0]=4 7116 B13R1.2900 COc1cc(c(cc1Br)Br)NCF 34a_100000718616_100015361967 [0,2,0,0,0,0|2,0,0]=4 7117 B13R1.2900 COc1cc(c(cc1Br)Br)NCF 7a_100000718616_100015361967 [0,2,0,0,0,0|2,0,0]=4 7118 B13R1.2900 COc1cc(c(cc1Br)Br)SCF 62a_100015361967_200014006352 [0,2,0,0,0,0|2,0,0]=4 7119 B13R1.2900 COc1cc(c(cc1Br)Br)SCF 62a_200014006352_100015361967 [0,2,0,0,0,0|2,0,0]=4 7120 B13R1.2900 COc1cc(c(cc1Br)C)NCF 34a_100010232211_100015361967 [0,2,0,0,0,0|2,0,0]=4 7121 B13R1.2900 COc1cc(c(cc1Br)C)NCF 7a_100010232211_100015361967 [0,2,0,0,0,0|2,0,0]=4 7122 B13R1.2900 COc1cc(c(cc1Br)Cl)NCF 34a_100012361290_100015361967 [0,2,0,0,0,0|2,0,0]=4 7123 B13R1.2900 COc1cc(c(cc1Br)Cl)NCF 7a_100012361290_100015361967 [0,2,0,0,0,0|2,0,0]=4 7124 B13R1.2900 COc1cc(c(cc1C)Br)NCF 34a_100010244135_100015361967 [0,2,0,0,0,0|2,0,0]=4 7125 B13R1.2900 COc1cc(c(cc1C)Br)NCF 7a_100010244135_100015361967 [0,2,0,0,0,0|2,0,0]=4 7126 B13R1.2900 COc1cc(c(cc1C)N)SCF 62a_100015361967_200010584344 [0,2,0,0,0,0|2,0,0]=4 7127 B13R1.2900 COc1cc(c(cc1C)N)SCF 62a_200010584344_100015361967 [0,2,0,0,0,0|2,0,0]=4 7128 B13R1.2900 COc1cc(c(cc1Cl)Br)NCF 34a_100013022580_100015361967 [0,2,0,0,0,0|2,0,0]=4 7129 B13R1.2900 COc1cc(c(cc1Cl)Br)NCF 7a_100013022580_100015361967 [0,2,0,0,0,0|2,0,0]=4 7130 B13R1.2900 COc1cc(c(cc1Cl)C)NCF 34a_100009858536_100015361967 [0,2,0,0,0,0|2,0,0]=4 7131 B13R1.2900 COc1cc(c(cc1Cl)C)NCF 7a_100009858536_100015361967 [0,2,0,0,0,0|2,0,0]=4 7132 B13R1.2900 COc1cc(c(cc1Cl)Cl)NCF 34a_100011830341_100015361967 [0,2,0,0,0,0|2,0,0]=4 7133 B13R1.2900 COc1cc(c(cc1Cl)F)NCF 34a_100009872666_100015361967 [0,2,0,0,0,0|2,0,0]=4 7134 B13R1.2900 COc1cc(c(cc1Cl)F)NCF 7a_100009872666_100015361967 [0,2,0,0,0,0|2,0,0]=4 7135 B13R1.2900 COc1cc(c(cc1Cl)F)SCF 62a_100010739614_100015361967 [0,2,0,0,0,0|2,0,0]=4 7136 B13R1.2900 COc1cc(c(cc1Cl)F)SCF 62a_100015361967_100010739614 [0,2,0,0,0,0|2,0,0]=4 7137 B13R1.2900 COc1cc(c(cc1F)Br)NCF 34a_100010208193_100015361967 [0,2,0,0,0,0|2,0,0]=4 7138 B13R1.2900 COc1cc(c(cc1F)Br)NCF 7a_100010208193_100015361967 [0,2,0,0,0,0|2,0,0]=4 7139 B13R1.2900 COc1cc(c(cc1F)C)SCF 62a_100011009880_100015361967 [0,2,0,0,0,0|2,0,0]=4 7140 B13R1.2900 COc1cc(c(cc1F)C)SCF 62a_100015361967_100011009880 [0,2,0,0,0,0|2,0,0]=4 7141 B13R1.2900 COc1cc(c(cc1F)Cl)NCF 34a_100009958774_100015361967 [0,2,0,0,0,0|2,0,0]=4 7142 B13R1.2900 COc1cc(c(cc1F)Cl)NCF 7a_100009958774_100015361967 [0,2,0,0,0,0|2,0,0]=4 7143 B13R1.2900 COc1cc(c(cc1F)F)SCF 62a_100015361967_200015541288 [0,2,0,0,0,0|2,0,0]=4 7144 B13R1.2900 COc1cc(c(cc1F)F)SCF 62a_200015541288_100015361967 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.2900 COc1cc(c(cc1F)N)SCF 62a_100010365326_100015361967 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.2900 COc1cc(c(cc1F)N)SCF 62a_100015361967_100010365326 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.2900 COc1cc(c(cc1N)C)SCF 62a_100010141321_100015361967 [0,2,0,0,0,0|2,0,0]=4 7148 B13R1.2900 COc1cc(c(cc1N)C)SCF 62a_100015361967_100010141321 [0,2,0,0,0,0|2,0,0]=4 7149 B13R1.2900 COc1cc(c(cc1N)F)SCF 62a_100012766639_100015361967 [0,2,0,0,0,0|2,0,0]=4 7150 B13R1.2900 COc1cc(c(cc1N)F)SCF 62a_100015361967_100012766639 [0,2,0,0,0,0|2,0,0]=4 7151 B13R1.2900 COc1cc(c(cc1O)F)SCF 62a_100015361967_100010189133 [0,2,0,0,0,0|1,0,0]=3 7152 B13R1.2900 OCc1cc(c(cc1F)F)SCF 62a_100015361967_100016029355 [0,2,0,0,0,0|1,1,0]=4 7153 B13R1.2900 OCc1cc(c(cc1F)F)SCF 62a_100016029355_100015361967 [0,2,0,0,0,0|1,1,0]=4 7154 B13R1.3981 CC=Cc1cc(cc(c1F)F)CO 271570a_100016259895_100015464361 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.3981 CCOc1cc(cc(c1O)O)C#N 271570a_203496583355_100000684219 [0,2,0,0,0,0|1,0,1]=4 7156 B13R1.3981 CCOc1cc(cc(c1O)O)C=O 271570a_203496583355_100000183328 [0,2,0,0,0,0|0,0,2]=4 7157 B13R1.3981 CCSc1cc(cc(c1F)F)CO 62a_100000210202_100015464361 [0,2,0,0,0,0|1,1,0]=4 7158 B13R1.3981 CCSc1cc(cc(c1F)F)CO 62a_100015464361_100000210202 [0,2,0,0,0,0|1,1,0]=4 7159 B13R1.3981 OCc1cc(c(c(c1)SCF)F)F 62a_100015361967_100015464361 [0,2,0,0,0,0|1,1,0]=4 7160 B13R1.3981 OCc1cc(c(c(c1)SCF)F)F 62a_100015464361_100015361967 [0,2,0,0,0,0|1,1,0]=4 7161 B13R1.4021 CCOc1c(ncc(c1C)CO)C 34a_100000006305_100000210202 [0,2,0,0,0,0|2,0,0]=4 7162 B13R1.4021 CCOc1c(ncc(c1C)CO)C 7a_100000006305_100000210202 [0,2,0,0,0,0|2,0,0]=4 7163 B13R1.4021 Cc1ncc(c(c1OCF)C)CO 34a_100000006305_100015361967 [0,2,0,0,0,0|2,0,0]=4 7164 B13R1.4021 Cc1ncc(c(c1OCF)C)CO 7a_100000006305_100015361967 [0,2,0,0,0,0|2,0,0]=4 7165 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,2,0,0,0,0|0,1,1]=4 7166 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,2,0,0,0,0|0,1,1]=4 7167 B13R1.52 CCc1cc(ccc1O)SC(C)C 62a_100000210206_100012338938 [0,2,0,0,0,0|2,0,0]=4 7168 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,2,0,0,0,0|1,0,1]=4 7169 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,2,0,0,0,0|1,0,1]=4 7170 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,2,0,0,0,0|1,0,1]=4 7171 B13R1.52 COc1cc(ccc1Br)CN(C)C 2230a_100102631434_100010110085 [0,2,0,0,0,0|2,0,0]=4 7172 B13R1.52 COc1cc(ccc1Br)CN(C)C 269982a_100102631434_100010110085 [0,2,0,0,0,0|2,0,0]=4 7173 B13R1.52 COc1cc(ccc1Br)CN(C)C 270004a_100102631434_100010244714 [0,2,0,0,0,0|2,0,0]=4 7174 B13R1.52 COc1cc(ccc1Br)NC(C)C 2230a_100000765947_100000210206 [0,2,0,0,0,0|2,0,0]=4 7175 B13R1.52 COc1cc(ccc1Br)NC(C)C 34a_100000765947_100000210206 [0,2,0,0,0,0|2,0,0]=4 7176 B13R1.52 COc1cc(ccc1Br)OC(C)C 34a_100011827694_100000210206 [0,2,0,0,0,0|2,0,0]=4 7177 B13R1.52 COc1cc(ccc1Br)OC(C)C 7a_100011827694_100000210206 [0,2,0,0,0,0|2,0,0]=4 7178 B13R1.52 COc1cc(ccc1Br)SC(C)C 62a_100000210206_100012353699 [0,2,0,0,0,0|2,0,0]=4 7179 B13R1.52 COc1cc(ccc1Br)SC(C)C 62a_100012353699_100000210206 [0,2,0,0,0,0|2,0,0]=4 7180 B13R1.52 COc1cc(ccc1C)CN(C)C 270004a_100102631434_100000719150 [0,2,0,0,0,0|2,0,0]=4 7181 B13R1.52 COc1cc(ccc1C)NC(C)C 2230a_100011279678_100000210206 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.52 COc1cc(ccc1C)NC(C)C 34a_100011279678_100000210206 [0,2,0,0,0,0|2,0,0]=4 7183 B13R1.52 COc1cc(ccc1C)OC(C)C 34a_100009865632_100000210206 [0,2,0,0,0,0|2,0,0]=4 7184 B13R1.52 COc1cc(ccc1C)OC(C)C 7a_100009865632_100000210206 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.52 COc1cc(ccc1C)SC(C)C 62a_100000210206_100011830276 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.52 COc1cc(ccc1C)SC(C)C 62a_100011830276_100000210206 [0,2,0,0,0,0|2,0,0]=4 7187 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,2,0,0,0,0|1,0,1]=4 7188 B13R1.52 COc1cc(ccc1Cl)CN(C)C 2230a_100102631434_200010214485 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.52 COc1cc(ccc1Cl)CN(C)C 269982a_100102631434_200010214485 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.52 COc1cc(ccc1Cl)CN(C)C 270004a_100102631434_100011998524 [0,2,0,0,0,0|2,0,0]=4 7191 B13R1.52 COc1cc(ccc1Cl)NC(C)C 2230a_100000742311_100000210206 [0,2,0,0,0,0|2,0,0]=4 7192 B13R1.52 COc1cc(ccc1Cl)NC(C)C 34a_100000742311_100000210206 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.52 COc1cc(ccc1Cl)OC(C)C 34a_100012186310_100000210206 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.52 COc1cc(ccc1Cl)OC(C)C 7a_100012186310_100000210206 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.52 COc1cc(ccc1Cl)SC(C)C 62a_100000210206_100011356853 [0,2,0,0,0,0|2,0,0]=4 7196 B13R1.52 COc1cc(ccc1Cl)SC(C)C 62a_100011356853_100000210206 [0,2,0,0,0,0|2,0,0]=4 7197 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,2,0,0,0,0|1,0,1]=4 7198 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,2,0,0,0,0|1,0,1]=4 7199 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,2,0,0,0,0|1,0,1]=4 7200 B13R1.52 COc1cc(ccc1F)CN(C)C 2230a_100102631434_100012349856 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.52 COc1cc(ccc1F)CN(C)C 269982a_100102631434_100012349856 [0,2,0,0,0,0|2,0,0]=4 7202 B13R1.52 COc1cc(ccc1F)CN(C)C 270004a_100102631434_100000692873 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.52 COc1cc(ccc1F)NC(C)C 2230a_100000701188_100000210206 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.52 COc1cc(ccc1F)NC(C)C 34a_100000701188_100000210206 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.52 COc1cc(ccc1F)OC(C)C 34a_100012001760_100000210206 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.52 COc1cc(ccc1F)OC(C)C 7a_100012001760_100000210206 [0,2,0,0,0,0|2,0,0]=4 7207 B13R1.52 COc1cc(ccc1F)SC(C)C 62a_100000210206_100011934186 [0,2,0,0,0,0|2,0,0]=4 7208 B13R1.52 COc1cc(ccc1F)SC(C)C 62a_100011934186_100000210206 [0,2,0,0,0,0|2,0,0]=4 7209 B13R1.52 COc1cc(ccc1I)NC(C)C 34a_100000746945_100000210206 [0,2,0,0,0,0|2,0,0]=4 7210 B13R1.52 COc1cc(ccc1N)OC(C)C 34a_100015326901_100000210206 [0,2,0,0,0,0|2,0,0]=4 7211 B13R1.52 COc1cc(ccc1N)OC(C)C 7a_100015326901_100000210206 [0,2,0,0,0,0|2,0,0]=4 7212 B13R1.52 COc1cc(ccc1N)SC(C)C 62a_100000210206_100015196925 [0,2,0,0,0,0|2,0,0]=4 7213 B13R1.52 COc1cc(ccc1N)SC(C)C 62a_100011279103_100000210206 [0,2,0,0,0,0|2,0,0]=4 7214 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,2,0,0,0,0|1,0,1]=4 7215 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,2,0,0,0,0|0,0,1]=3 7216 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,2,0,0,0,0|0,0,1]=3 7217 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,2,0,0,0,0|0,0,2]=4 7218 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,2,0,0,0,0|0,0,2]=4 7219 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [0,2,0,0,0,0|1,0,0]=3 7220 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [0,2,0,0,0,0|1,0,0]=3 7221 B13R1.52 COc1nc(ccc1O)SC(C)C 62a_100000210206_100010893133 [0,2,0,0,0,0|2,0,0]=4 7222 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,2,0,0,0,0|0,1,1]=4 7223 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,2,0,0,0,0|0,1,1]=4 7224 B13R1.387 C=C(C)c1cc(ccc1C)COC 271570a_100000694244_200015395492 [0,2,0,0,0,0|2,0,0]=4 7225 B13R1.387 C=C(C)c1cc(ccc1F)COC 271570a_100000694244_200011493689 [0,2,0,0,0,0|2,0,0]=4 7226 B13R1.387 CC(C)c1cc(ccc1O)SCF 62a_100000691460_100015361967 [0,2,0,0,0,0|2,0,0]=4 7227 B13R1.387 CC(C)c1cc(ccc1O)SCF 62a_100015361967_100000691460 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,2,0,0,0,0|2,0,0]=4 7230 B13R1.387 CCSc1ccc(c(c1)C(C)C)O 62a_100000210202_100000691460 [0,2,0,0,0,0|2,0,0]=4 7231 B13R1.387 CCSc1ccc(c(c1)C(C)C)O 62a_100000691460_100000210202 [0,2,0,0,0,0|2,0,0]=4 7232 B13R1.575 C#CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000038162 [0,2,0,0,0,0|2,0,0]=4 7233 B13R1.575 C#CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000184674 [0,2,0,0,0,0|2,0,0]=4 7234 B13R1.575 C#CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000038162 [0,2,0,0,0,0|2,0,0]=4 7235 B13R1.575 C#CCNc1ccc(c(c1)OC)C 34a_100011279678_100000184674 [0,2,0,0,0,0|2,0,0]=4 7236 B13R1.575 C#CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000038162 [0,2,0,0,0,0|2,0,0]=4 7237 B13R1.575 C#CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000184674 [0,2,0,0,0,0|2,0,0]=4 7238 B13R1.575 C#CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000038162 [0,2,0,0,0,0|2,0,0]=4 7239 B13R1.575 C#CCNc1ccc(c(c1)OC)F 34a_100000701188_100000184674 [0,2,0,0,0,0|2,0,0]=4 7240 B13R1.575 C#CCNc1ccc(c(c1)OC)I 34a_100000746945_100000184674 [0,2,0,0,0,0|2,0,0]=4 7241 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,2,0,0,0,0|1,0,0]=3 7242 B13R1.575 C#CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000184674 [0,2,0,0,0,0|2,0,0]=4 7243 B13R1.575 C#CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000038162 [0,2,0,0,0,0|2,0,0]=4 7244 B13R1.575 C#CCOc1ccc(c(c1)OC)C 34a_100009865632_100000184674 [0,2,0,0,0,0|2,0,0]=4 7245 B13R1.575 C#CCOc1ccc(c(c1)OC)C 7a_100009865632_100000038162 [0,2,0,0,0,0|2,0,0]=4 7246 B13R1.575 C#CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000184674 [0,2,0,0,0,0|2,0,0]=4 7247 B13R1.575 C#CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000038162 [0,2,0,0,0,0|2,0,0]=4 7248 B13R1.575 C#CCOc1ccc(c(c1)OC)F 34a_100012001760_100000184674 [0,2,0,0,0,0|2,0,0]=4 7249 B13R1.575 C#CCOc1ccc(c(c1)OC)F 7a_100012001760_100000038162 [0,2,0,0,0,0|2,0,0]=4 7250 B13R1.575 C#CCOc1ccc(c(c1)OC)N 34a_100015326901_100000184674 [0,2,0,0,0,0|2,0,0]=4 7251 B13R1.575 C#CCOc1ccc(c(c1)OC)N 7a_100015326901_100000038162 [0,2,0,0,0,0|2,0,0]=4 7252 B13R1.575 C#CCSc1ccc(c(c1)CC)O 62a_100000038162_100012338938 [0,2,0,0,0,0|2,0,0]=4 7253 B13R1.575 C#CCSc1ccc(c(c1)OC)Br 62a_100000038162_100012353699 [0,2,0,0,0,0|2,0,0]=4 7254 B13R1.575 C#CCSc1ccc(c(c1)OC)C 62a_100000038162_100011830276 [0,2,0,0,0,0|2,0,0]=4 7255 B13R1.575 C#CCSc1ccc(c(c1)OC)Cl 62a_100000038162_100011356853 [0,2,0,0,0,0|2,0,0]=4 7256 B13R1.575 C#CCSc1ccc(c(c1)OC)F 62a_100000038162_100011934186 [0,2,0,0,0,0|2,0,0]=4 7257 B13R1.575 C#CCSc1ccc(c(c1)OC)N 62a_100000038162_100015196925 [0,2,0,0,0,0|2,0,0]=4 7258 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,2,0,0,0,0|1,0,0]=3 7259 B13R1.575 C#CCSc1ccc(c(n1)OC)O 62a_100000038162_100010893133 [0,2,0,0,0,0|2,0,0]=4 7260 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,2,0,0,0,0|2,0,0]=4 7261 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,2,0,0,0,0|2,0,0]=4 7262 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,2,0,0,0,0|2,0,0]=4 7263 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,2,0,0,0,0|2,0,0]=4 7264 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,2,0,0,0,0|2,0,0]=4 7267 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,2,0,0,0,0|2,0,0]=4 7268 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,2,0,0,0,0|2,0,0]=4 7269 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,2,0,0,0,0|1,0,0]=3 7270 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,2,0,0,0,0|2,0,0]=4 7271 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,2,0,0,0,0|2,0,0]=4 7272 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,2,0,0,0,0|2,0,0]=4 7273 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,2,0,0,0,0|2,0,0]=4 7274 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,2,0,0,0,0|2,0,0]=4 7275 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,2,0,0,0,0|2,0,0]=4 7276 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,2,0,0,0,0|2,0,0]=4 7277 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,2,0,0,0,0|2,0,0]=4 7280 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,2,0,0,0,0|2,0,0]=4 7283 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,2,0,0,0,0|2,0,0]=4 7284 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,2,0,0,0,0|2,0,0]=4 7285 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,2,0,0,0,0|2,0,0]=4 7286 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,2,0,0,0,0|2,0,0]=4 7288 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,2,0,0,0,0|2,0,0]=4 7289 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,2,0,0,0,0|2,0,0]=4 7290 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,2,0,0,0,0|1,0,0]=3 7292 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [0,2,0,0,0,0|2,0,0]=4 7293 B13R1.575 CCCCc1ccc(c(c1)CC)O 271570a_100020621405_100012338938 [0,2,0,0,0,0|2,0,0]=4 7294 B13R1.575 CCCCc1ccc(c(c1)OC)Br 271570a_100020621405_100012353699 [0,2,0,0,0,0|2,0,0]=4 7295 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [0,2,0,0,0,0|2,0,0]=4 7296 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.575 CCCCc1ccc(c(c1)OC)F 271570a_100020621405_100011934186 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.575 CCCCc1ccc(c(c1)OC)N 271570a_100020621405_100011279103 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,2,0,0,0,0|1,0,0]=3 7300 B13R1.575 CCCCc1ccc(c(n1)OC)O 271570a_100020621405_100010893133 [0,2,0,0,0,0|2,0,0]=4 7301 B13R1.575 CCCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210303 [0,2,0,0,0,0|2,0,0]=4 7302 B13R1.575 CCCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210303 [0,2,0,0,0,0|2,0,0]=4 7303 B13R1.575 CCCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210303 [0,2,0,0,0,0|2,0,0]=4 7304 B13R1.575 CCCNc1ccc(c(c1)OC)C 34a_100011279678_100000210303 [0,2,0,0,0,0|2,0,0]=4 7305 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210303 [0,2,0,0,0,0|2,0,0]=4 7306 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210303 [0,2,0,0,0,0|2,0,0]=4 7307 B13R1.575 CCCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210303 [0,2,0,0,0,0|2,0,0]=4 7308 B13R1.575 CCCNc1ccc(c(c1)OC)F 34a_100000701188_100000210303 [0,2,0,0,0,0|2,0,0]=4 7309 B13R1.575 CCCNc1ccc(c(c1)OC)I 34a_100000746945_100000210303 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,2,0,0,0,0|1,0,0]=3 7311 B13R1.575 CCCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210303 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.575 CCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210303 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.575 CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000210303 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.575 CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000210303 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210303 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210303 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.575 CCCOc1ccc(c(c1)OC)F 34a_100012001760_100000210303 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.575 CCCOc1ccc(c(c1)OC)F 7a_100012001760_100000210303 [0,2,0,0,0,0|2,0,0]=4 7319 B13R1.575 CCCOc1ccc(c(c1)OC)N 34a_100015326901_100000210303 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.575 CCCOc1ccc(c(c1)OC)N 7a_100015326901_100000210303 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.575 CCCSc1ccc(c(c1)CC)O 62a_100000210303_100012338938 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100000210303_100012353699 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210303 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100000210303_100011830276 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100011830276_100000210303 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100000210303_100011356853 [0,2,0,0,0,0|2,0,0]=4 7327 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210303 [0,2,0,0,0,0|2,0,0]=4 7328 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100000210303_100011934186 [0,2,0,0,0,0|2,0,0]=4 7329 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100011934186_100000210303 [0,2,0,0,0,0|2,0,0]=4 7330 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100000210303_100015196925 [0,2,0,0,0,0|2,0,0]=4 7331 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100011279103_100000210303 [0,2,0,0,0,0|2,0,0]=4 7332 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,2,0,0,0,0|1,0,0]=3 7333 B13R1.575 CCCSc1ccc(c(n1)OC)O 62a_100000210303_100010893133 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.575 CCNCc1ccc(c(c1)OC)Br 207a_100015525214_100010244714 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.575 CCNCc1ccc(c(c1)OC)Br 2230a_100015525214_100010110085 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.575 CCNCc1ccc(c(c1)OC)Br 270004a_100015525214_100010244714 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.575 CCNCc1ccc(c(c1)OC)C 207a_100015525214_100000719150 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.575 CCNCc1ccc(c(c1)OC)C 270004a_100015525214_100000719150 [0,2,0,0,0,0|2,0,0]=4 7339 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 207a_100015525214_100011998524 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000210202 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015525214_200010214485 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 270004a_100015525214_100011998524 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 34a_100015204853_100000210202 [0,2,0,0,0,0|2,0,0]=4 7344 B13R1.575 CCNCc1ccc(c(c1)OC)F 207a_100015525214_100000692873 [0,2,0,0,0,0|2,0,0]=4 7345 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100015525214_100012349856 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100020626639_100000210202 [0,2,0,0,0,0|2,0,0]=4 7347 B13R1.575 CCNCc1ccc(c(c1)OC)F 270004a_100015525214_100000692873 [0,2,0,0,0,0|2,0,0]=4 7348 B13R1.575 CCNCc1ccc(c(c1)OC)F 34a_100020626639_100000210202 [0,2,0,0,0,0|2,0,0]=4 7349 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,2,0,0,0,0|1,0,0]=3 7350 B13R1.575 CCOCc1cc(c(cn1)Br)OC 34a_100010999569_100000210202 [0,2,0,0,0,0|2,0,0]=4 7351 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100010234685_100000210202 [0,2,0,0,0,0|1,0,0]=3 7352 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100121572206_100010110085 [0,2,0,0,0,0|1,0,0]=3 7353 B13R1.575 CCOCc1ccc(c(c1)OC)Br 7a_100010234685_100000210202 [0,2,0,0,0,0|1,0,0]=3 7354 B13R1.575 CCOCc1ccc(c(c1)OC)C 34a_100000752651_100000210202 [0,2,0,0,0,0|1,0,0]=3 7355 B13R1.575 CCOCc1ccc(c(c1)OC)C 7a_100000752651_100000210202 [0,2,0,0,0,0|1,0,0]=3 7356 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100012179228_100000210202 [0,2,0,0,0,0|1,0,0]=3 7357 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100121572206_200010214485 [0,2,0,0,0,0|1,0,0]=3 7358 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100000692429_100000210202 [0,2,0,0,0,0|1,0,0]=3 7359 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100121572206_100012349856 [0,2,0,0,0,0|1,0,0]=3 7360 B13R1.575 CCOCc1ccc(c(c1)OC)F 7a_100000692429_100000210202 [0,2,0,0,0,0|1,0,0]=3 7361 B13R1.575 CCOCc1ccc(c(c1)OC)N 34a_100000087641_100000210202 [0,2,0,0,0,0|1,0,0]=3 7362 B13R1.575 CCOCc1ccc(c(n1)OC)Br 34a_100121572206_200010066506 [0,2,0,0,0,0|2,0,0]=4 7363 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100000210202_100010110085 [0,2,0,0,0,0|1,1,0]=4 7364 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100010110085_100000210202 [0,2,0,0,0,0|1,1,0]=4 7365 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_100000210202_200010214485 [0,2,0,0,0,0|1,1,0]=4 7366 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_200010214485_100000210202 [0,2,0,0,0,0|1,1,0]=4 7367 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100000210202_100012349856 [0,2,0,0,0,0|1,1,0]=4 7368 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100012349856_100000210202 [0,2,0,0,0,0|1,1,0]=4 7369 B13R1.575 CCc1cc(ccc1Br)NCCO 2230a_100010109747_100000211926 [0,2,0,0,0,0|2,0,0]=4 7370 B13R1.575 CCc1cc(ccc1Br)NCCO 34a_100010109747_100000211926 [0,2,0,0,0,0|2,0,0]=4 7371 B13R1.575 CCc1cc(ccc1Br)NCCO 7a_100010109747_100000211926 [0,2,0,0,0,0|2,0,0]=4 7372 B13R1.575 CCc1cc(ccc1Br)NCOC 2230a_100010109747_100000766300 [0,2,0,0,0,0|2,0,0]=4 7373 B13R1.575 CCc1cc(ccc1Br)SCCO 62a_100000211926_100010244631 [0,2,0,0,0,0|2,0,0]=4 7374 B13R1.575 CCc1cc(ccc1Br)SCCO 62a_100010244631_100000211926 [0,2,0,0,0,0|2,0,0]=4 7375 B13R1.575 CCc1cc(ccc1Br)SCOC 62a_100000766300_100010244631 [0,2,0,0,0,0|2,0,0]=4 7376 B13R1.575 CCc1cc(ccc1Br)SCOC 62a_100010244631_100000766300 [0,2,0,0,0,0|2,0,0]=4 7377 B13R1.575 CCc1cc(ccc1Cl)OCCO 34a_100000212063_100000211926 [0,2,0,0,0,0|2,0,0]=4 7378 B13R1.575 CCc1cc(ccc1Cl)OCCO 7a_100000212063_100000211926 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.575 CCc1cc(ccc1F)SCCO 62a_100000211926_100010244625 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.575 CCc1cc(ccc1F)SCCO 62a_100010244625_100000211926 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.575 CCc1cc(ccc1F)SCOC 62a_100000766300_100010244625 [0,2,0,0,0,0|2,0,0]=4 7382 B13R1.575 CCc1cc(ccc1F)SCOC 62a_100010244625_100000766300 [0,2,0,0,0,0|2,0,0]=4 7383 B13R1.575 CCc1cc(ccc1N)SCCO 62a_100000211926_100000686106 [0,2,0,0,0,0|2,0,0]=4 7384 B13R1.575 CCc1cc(ccc1N)SCCO 62a_100000686106_100000211926 [0,2,0,0,0,0|2,0,0]=4 7385 B13R1.575 CCc1cc(ccc1N)SCOC 62a_100000686106_100000766300 [0,2,0,0,0,0|2,0,0]=4 7386 B13R1.575 CCc1cc(ccc1N)SCOC 62a_100000766300_100000686106 [0,2,0,0,0,0|2,0,0]=4 7387 B13R1.575 CCc1cc(ccc1O)SCC#N 62a_100011215382_100012338938 [0,2,0,0,0,0|2,0,0]=4 7388 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [0,2,0,0,0,0|1,0,1]=4 7389 B13R1.575 CCc1cc(ccc1O)SCCF 62a_100011217306_100012338938 [0,2,0,0,0,0|2,0,0]=4 7390 B13R1.575 CCc1cc(ccc1O)SCCO 62a_100000211926_100012338938 [0,2,0,0,0,0|1,0,0]=3 7391 B13R1.575 CCc1cc(ccc1O)SCOC 62a_100000766300_100012338938 [0,2,0,0,0,0|1,0,0]=3 7392 B13R1.575 CCc1cc(ccc1O)SCSC 62a_100011218213_100012338938 [0,2,0,0,0,0|1,1,0]=4 7393 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,2,0,0,0,0|1,0,0]=3 7394 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,2,0,0,0,0|1,0,0]=3 7395 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,2,0,0,0,0|1,0,0]=3 7396 B13R1.575 CNc1cc(ccc1C)OCCO 2230a_100012283766_200000210301 [0,2,0,0,0,0|2,0,0]=4 7397 B13R1.575 CNc1cc(ccc1C)OCCO 34a_100012283766_200000210301 [0,2,0,0,0,0|2,0,0]=4 7398 B13R1.575 CNc1cc(ccc1C)OCCO 7a_100012283766_200000210301 [0,2,0,0,0,0|2,0,0]=4 7399 B13R1.575 CNc1cc(ccc1C)SCCO 62a_100000211926_100020629602 [0,2,0,0,0,0|2,0,0]=4 7400 B13R1.575 CNc1cc(ccc1C)SCCO 62a_100020629602_100000211926 [0,2,0,0,0,0|2,0,0]=4 7401 B13R1.575 CNc1cc(ccc1C)SCOC 62a_100000766300_100020629602 [0,2,0,0,0,0|2,0,0]=4 7402 B13R1.575 CNc1cc(ccc1C)SCOC 62a_100020629602_100000766300 [0,2,0,0,0,0|2,0,0]=4 7403 B13R1.575 CNc1cc(ccc1F)SCCO 62a_100000211926_100011314990 [0,2,0,0,0,0|2,0,0]=4 7404 B13R1.575 CNc1cc(ccc1F)SCCO 62a_100011314990_100000211926 [0,2,0,0,0,0|2,0,0]=4 7405 B13R1.575 CNc1cc(ccc1F)SCOC 62a_100000766300_100011314990 [0,2,0,0,0,0|2,0,0]=4 7406 B13R1.575 CNc1cc(ccc1F)SCOC 62a_100011314990_100000766300 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.575 CNc1cc(ccc1N)SCCO 62a_100000694363_100000211926 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.575 CNc1cc(ccc1N)SCOC 62a_100000694363_100000766300 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.575 COCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000766300 [0,2,0,0,0,0|1,0,0]=3 7410 B13R1.575 COCNc1ccc(c(c1)OC)C 2230a_100011279678_100000766300 [0,2,0,0,0,0|1,0,0]=3 7411 B13R1.575 COCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000766300 [0,2,0,0,0,0|1,0,0]=3 7412 B13R1.575 COCNc1ccc(c(c1)OC)F 2230a_100000701188_100000766300 [0,2,0,0,0,0|1,0,0]=3 7413 B13R1.575 COCOc1ccc(c(c1)SC)C 62a_200000210301_200015918306 [0,2,0,0,0,0|1,1,0]=4 7414 B13R1.575 COCOc1ccc(c(c1)SC)C 62a_200015918306_200000210301 [0,2,0,0,0,0|1,1,0]=4 7415 B13R1.575 COCOc1ccc(c(c1)S[13CH3])C 62a_200015918306_200025704644 [0,2,0,0,0,0|1,1,0]=4 7416 B13R1.575 COCOc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015918306 [0,2,0,0,0,0|1,1,0]=4 7417 B13R1.575 COCSc1c[nH]c(=O)c(c1)OC 62a_100000766300_100010125397 [0,2,0,0,0,0|1,0,1]=4 7418 B13R1.575 COCSc1cc(c(cn1)C)OC 62a_100000766300_100010067687 [0,2,0,0,0,0|2,0,0]=4 7419 B13R1.575 COCSc1cc(c(cn1)C)OC 62a_100010067687_100000766300 [0,2,0,0,0,0|2,0,0]=4 7420 B13R1.575 COCSc1cc(c(cn1)F)OC 62a_100000766300_200010136270 [0,2,0,0,0,0|2,0,0]=4 7421 B13R1.575 COCSc1cc(c(cn1)F)OC 62a_200010136270_100000766300 [0,2,0,0,0,0|2,0,0]=4 7422 B13R1.575 COCSc1cc(c(cn1)N)OC 62a_100000766300_100009887741 [0,2,0,0,0,0|2,0,0]=4 7423 B13R1.575 COCSc1cc(c(cn1)N)OC 62a_100009887741_100000766300 [0,2,0,0,0,0|2,0,0]=4 7424 B13R1.575 COCSc1ccc(c(c1)C#N)O 62a_100000766300_100000687585 [0,2,0,0,0,0|2,0,0]=4 7425 B13R1.575 COCSc1ccc(c(c1)C=O)O 62a_100000766300_100000186750 [0,2,0,0,0,0|2,0,0]=4 7426 B13R1.575 COCSc1ccc(c(c1)CN)O 62a_100000730032_100000766300 [0,2,0,0,0,0|2,0,0]=4 7427 B13R1.575 COCSc1ccc(c(c1)CN)O 62a_100000766300_100000730032 [0,2,0,0,0,0|2,0,0]=4 7428 B13R1.575 COCSc1ccc(c(c1)CO)O 62a_100000184703_100000766300 [0,2,0,0,0,0|2,0,0]=4 7429 B13R1.575 COCSc1ccc(c(c1)CO)O 62a_100000766300_100000184703 [0,2,0,0,0,0|2,0,0]=4 7430 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100000766300_100012353699 [0,2,0,0,0,0|1,0,0]=3 7431 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100012353699_100000766300 [0,2,0,0,0,0|1,0,0]=3 7432 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100000766300_100011830276 [0,2,0,0,0,0|1,0,0]=3 7433 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100011830276_100000766300 [0,2,0,0,0,0|1,0,0]=3 7434 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100000766300_100011356853 [0,2,0,0,0,0|1,0,0]=3 7435 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000766300 [0,2,0,0,0,0|1,0,0]=3 7436 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100000766300_100011934186 [0,2,0,0,0,0|1,0,0]=3 7437 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100011934186_100000766300 [0,2,0,0,0,0|1,0,0]=3 7438 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100000766300_100015196925 [0,2,0,0,0,0|1,0,0]=3 7439 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100011279103_100000766300 [0,2,0,0,0,0|1,0,0]=3 7440 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,2,0,0,0,0|0,0,0]=2 7441 B13R1.575 COCSc1ccc(c(c1)SC)F 62a_100000766300_100010341305 [0,2,0,0,0,0|1,1,0]=4 7442 B13R1.575 COCSc1ccc(c(c1)SC)F 62a_100010341305_100000766300 [0,2,0,0,0,0|1,1,0]=4 7443 B13R1.575 COCSc1ccc(c(n1)OC)N 62a_100000687816_100000766300 [0,2,0,0,0,0|2,0,0]=4 7444 B13R1.575 COCSc1ccc(c(n1)OC)N 62a_100000766300_100000687816 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.575 COCSc1ccc(c(n1)OC)O 62a_100000766300_100010893133 [0,2,0,0,0,0|1,0,0]=3 7446 B13R1.575 COCSc1cnc(c(c1)OC)C 62a_100000766300_100010254219 [0,2,0,0,0,0|2,0,0]=4 7447 B13R1.575 COCSc1cnc(c(c1)OC)C 62a_100010254219_100000766300 [0,2,0,0,0,0|2,0,0]=4 7448 B13R1.575 COCSc1cnc(c(c1)OC)F 62a_100000766300_100010214931 [0,2,0,0,0,0|2,0,0]=4 7449 B13R1.575 COCSc1cnc(c(c1)OC)F 62a_100010214931_100000766300 [0,2,0,0,0,0|2,0,0]=4 7450 B13R1.575 COCSc1cnc(c(c1)OC)N 62a_100000766300_106354213024 [0,2,0,0,0,0|2,0,0]=4 7451 B13R1.575 COCSc1cnc(c(c1)OC)N 62a_106354213024_100000766300 [0,2,0,0,0,0|2,0,0]=4 7452 B13R1.575 COCSc1cnc(c(n1)OC)O 62a_100000766300_200010365344 [0,2,0,0,0,0|2,0,0]=4 7453 B13R1.575 COCSc1cnc(c(n1)OC)O 62a_200010365344_100000766300 [0,2,0,0,0,0|2,0,0]=4 7454 B13R1.575 COc1cc(c[nH]c1=O)SCCO 62a_100000211926_100010125397 [0,2,0,0,0,0|1,0,1]=4 7455 B13R1.575 COc1cc(ccc1Br)COCF 34a_100010234685_100015361967 [0,2,0,0,0,0|1,0,0]=3 7456 B13R1.575 COc1cc(ccc1Br)COCF 7a_100010234685_100015361967 [0,2,0,0,0,0|1,0,0]=3 7457 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100010110085_100015361967 [0,2,0,0,0,0|1,1,0]=4 7458 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100015361967_100010110085 [0,2,0,0,0,0|1,1,0]=4 7459 B13R1.575 COc1cc(ccc1Br)NCC#N 2230a_100000765947_100011215382 [0,2,0,0,0,0|2,0,0]=4 7460 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [0,2,0,0,0,0|1,0,1]=4 7461 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [0,2,0,0,0,0|1,0,1]=4 7462 B13R1.575 COc1cc(ccc1Br)NCCF 2230a_100000765947_100011217306 [0,2,0,0,0,0|2,0,0]=4 7463 B13R1.575 COc1cc(ccc1Br)NCCF 34a_100000765947_100011217306 [0,2,0,0,0,0|2,0,0]=4 7464 B13R1.575 COc1cc(ccc1Br)NCCO 2230a_100000765947_100000211926 [0,2,0,0,0,0|1,0,0]=3 7465 B13R1.575 COc1cc(ccc1Br)NCCO 34a_100000765947_100000211926 [0,2,0,0,0,0|1,0,0]=3 7466 B13R1.575 COc1cc(ccc1Br)NCSC 2230a_100000765947_100011218213 [0,2,0,0,0,0|1,1,0]=4 7467 B13R1.575 COc1cc(ccc1Br)NCSC 34a_100000765947_100011218213 [0,2,0,0,0,0|1,1,0]=4 7468 B13R1.575 COc1cc(ccc1Br)OCC#N 7a_100011827694_100011215382 [0,2,0,0,0,0|2,0,0]=4 7469 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,2,0,0,0,0|1,0,1]=4 7470 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,2,0,0,0,0|1,0,1]=4 7471 B13R1.575 COc1cc(ccc1Br)OCCF 34a_100011827694_100011217306 [0,2,0,0,0,0|2,0,0]=4 7472 B13R1.575 COc1cc(ccc1Br)OCCF 7a_100011827694_100011217306 [0,2,0,0,0,0|2,0,0]=4 7473 B13R1.575 COc1cc(ccc1Br)OCCO 34a_100011827694_100000211926 [0,2,0,0,0,0|1,0,0]=3 7474 B13R1.575 COc1cc(ccc1Br)OCCO 7a_100011827694_100000211926 [0,2,0,0,0,0|1,0,0]=3 7475 B13R1.575 COc1cc(ccc1Br)OCSC 34a_100011827694_100011218213 [0,2,0,0,0,0|1,1,0]=4 7476 B13R1.575 COc1cc(ccc1Br)SCC#N 62a_100011215382_100012353699 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.575 COc1cc(ccc1Br)SCC#N 62a_100012353699_100011215382 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [0,2,0,0,0,0|1,0,1]=4 7479 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [0,2,0,0,0,0|1,0,1]=4 7480 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100011217306_100012353699 [0,2,0,0,0,0|2,0,0]=4 7481 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100012353699_100011217306 [0,2,0,0,0,0|2,0,0]=4 7482 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100000211926_100012353699 [0,2,0,0,0,0|1,0,0]=3 7483 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100012353699_100000211926 [0,2,0,0,0,0|1,0,0]=3 7484 B13R1.575 COc1cc(ccc1Br)SCSC 62a_100011218213_100012353699 [0,2,0,0,0,0|1,1,0]=4 7485 B13R1.575 COc1cc(ccc1Br)SCSC 62a_100012353699_100011218213 [0,2,0,0,0,0|1,1,0]=4 7486 B13R1.575 COc1cc(ccc1C)COCF 34a_100000752651_100015361967 [0,2,0,0,0,0|1,0,0]=3 7487 B13R1.575 COc1cc(ccc1C)COCF 7a_100000752651_100015361967 [0,2,0,0,0,0|1,0,0]=3 7488 B13R1.575 COc1cc(ccc1C)NCC#N 2230a_100011279678_100011215382 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [0,2,0,0,0,0|1,0,1]=4 7490 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [0,2,0,0,0,0|1,0,1]=4 7491 B13R1.575 COc1cc(ccc1C)NCCF 2230a_100011279678_100011217306 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.575 COc1cc(ccc1C)NCCF 34a_100011279678_100011217306 [0,2,0,0,0,0|2,0,0]=4 7493 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [0,2,0,0,0,0|1,0,0]=3 7494 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [0,2,0,0,0,0|1,0,0]=3 7495 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [0,2,0,0,0,0|1,0,0]=3 7496 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [0,2,0,0,0,0|1,0,0]=3 7497 B13R1.575 COc1cc(ccc1C)NCSC 2230a_100011279678_100011218213 [0,2,0,0,0,0|1,1,0]=4 7498 B13R1.575 COc1cc(ccc1C)NCSC 34a_100011279678_100011218213 [0,2,0,0,0,0|1,1,0]=4 7499 B13R1.575 COc1cc(ccc1C)OCC#N 7a_100009865632_100011215382 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,2,0,0,0,0|1,0,1]=4 7501 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,2,0,0,0,0|1,0,1]=4 7502 B13R1.575 COc1cc(ccc1C)OCCF 34a_100009865632_100011217306 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.575 COc1cc(ccc1C)OCCF 7a_100009865632_100011217306 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [0,2,0,0,0,0|1,0,0]=3 7505 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [0,2,0,0,0,0|1,0,0]=3 7506 B13R1.575 COc1cc(ccc1C)OCSC 34a_100009865632_100011218213 [0,2,0,0,0,0|1,1,0]=4 7507 B13R1.575 COc1cc(ccc1C)SCC#N 62a_100011215382_100011830276 [0,2,0,0,0,0|2,0,0]=4 7508 B13R1.575 COc1cc(ccc1C)SCC#N 62a_100011830276_100011215382 [0,2,0,0,0,0|2,0,0]=4 7509 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [0,2,0,0,0,0|1,0,1]=4 7510 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [0,2,0,0,0,0|1,0,1]=4 7511 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011217306_100011830276 [0,2,0,0,0,0|2,0,0]=4 7512 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011830276_100011217306 [0,2,0,0,0,0|2,0,0]=4 7513 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [0,2,0,0,0,0|1,0,0]=3 7514 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [0,2,0,0,0,0|1,0,0]=3 7515 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011218213_100011830276 [0,2,0,0,0,0|1,1,0]=4 7516 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011830276_100011218213 [0,2,0,0,0,0|1,1,0]=4 7517 B13R1.575 COc1cc(ccc1Cl)CNCF 34a_100015204853_100015361967 [0,2,0,0,0,0|2,0,0]=4 7518 B13R1.575 COc1cc(ccc1Cl)COCF 34a_100012179228_100015361967 [0,2,0,0,0,0|1,0,0]=3 7519 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_100015361967_200010214485 [0,2,0,0,0,0|1,1,0]=4 7520 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_200010214485_100015361967 [0,2,0,0,0,0|1,1,0]=4 7521 B13R1.575 COc1cc(ccc1Cl)NCC#N 2230a_100000742311_100011215382 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [0,2,0,0,0,0|1,0,1]=4 7523 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [0,2,0,0,0,0|1,0,1]=4 7524 B13R1.575 COc1cc(ccc1Cl)NCCF 2230a_100000742311_100011217306 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.575 COc1cc(ccc1Cl)NCCF 34a_100000742311_100011217306 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.575 COc1cc(ccc1Cl)NCCO 2230a_100000742311_100000211926 [0,2,0,0,0,0|1,0,0]=3 7527 B13R1.575 COc1cc(ccc1Cl)NCCO 34a_100000742311_100000211926 [0,2,0,0,0,0|1,0,0]=3 7528 B13R1.575 COc1cc(ccc1Cl)NCSC 2230a_100000742311_100011218213 [0,2,0,0,0,0|1,1,0]=4 7529 B13R1.575 COc1cc(ccc1Cl)NCSC 34a_100000742311_100011218213 [0,2,0,0,0,0|1,1,0]=4 7530 B13R1.575 COc1cc(ccc1Cl)OCC#N 7a_100012186310_100011215382 [0,2,0,0,0,0|2,0,0]=4 7531 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,2,0,0,0,0|1,0,1]=4 7532 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,2,0,0,0,0|1,0,1]=4 7533 B13R1.575 COc1cc(ccc1Cl)OCCF 34a_100012186310_100011217306 [0,2,0,0,0,0|2,0,0]=4 7534 B13R1.575 COc1cc(ccc1Cl)OCCF 7a_100012186310_100011217306 [0,2,0,0,0,0|2,0,0]=4 7535 B13R1.575 COc1cc(ccc1Cl)OCCO 34a_100012186310_100000211926 [0,2,0,0,0,0|1,0,0]=3 7536 B13R1.575 COc1cc(ccc1Cl)OCCO 7a_100012186310_100000211926 [0,2,0,0,0,0|1,0,0]=3 7537 B13R1.575 COc1cc(ccc1Cl)OCSC 34a_100012186310_100011218213 [0,2,0,0,0,0|1,1,0]=4 7538 B13R1.575 COc1cc(ccc1Cl)SCC#N 62a_100011215382_100011356853 [0,2,0,0,0,0|2,0,0]=4 7539 B13R1.575 COc1cc(ccc1Cl)SCC#N 62a_100011356853_100011215382 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [0,2,0,0,0,0|1,0,1]=4 7541 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [0,2,0,0,0,0|1,0,1]=4 7542 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011217306_100011356853 [0,2,0,0,0,0|2,0,0]=4 7543 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011356853_100011217306 [0,2,0,0,0,0|2,0,0]=4 7544 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100000211926_100011356853 [0,2,0,0,0,0|1,0,0]=3 7545 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100011356853_100000211926 [0,2,0,0,0,0|1,0,0]=3 7546 B13R1.575 COc1cc(ccc1Cl)SCSC 62a_100011218213_100011356853 [0,2,0,0,0,0|1,1,0]=4 7547 B13R1.575 COc1cc(ccc1Cl)SCSC 62a_100011356853_100011218213 [0,2,0,0,0,0|1,1,0]=4 7548 B13R1.575 COc1cc(ccc1F)CNCF 34a_100020626639_100015361967 [0,2,0,0,0,0|2,0,0]=4 7549 B13R1.575 COc1cc(ccc1F)COCF 34a_100000692429_100015361967 [0,2,0,0,0,0|1,0,0]=3 7550 B13R1.575 COc1cc(ccc1F)COCF 7a_100000692429_100015361967 [0,2,0,0,0,0|1,0,0]=3 7551 B13R1.575 COc1cc(ccc1F)CSCF 62a_100012349856_100015361967 [0,2,0,0,0,0|1,1,0]=4 7552 B13R1.575 COc1cc(ccc1F)CSCF 62a_100015361967_100012349856 [0,2,0,0,0,0|1,1,0]=4 7553 B13R1.575 COc1cc(ccc1F)NCC#N 2230a_100000701188_100011215382 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [0,2,0,0,0,0|1,0,1]=4 7555 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [0,2,0,0,0,0|1,0,1]=4 7556 B13R1.575 COc1cc(ccc1F)NCCF 2230a_100000701188_100011217306 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.575 COc1cc(ccc1F)NCCF 34a_100000701188_100011217306 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.575 COc1cc(ccc1F)NCCO 2230a_100000701188_100000211926 [0,2,0,0,0,0|1,0,0]=3 7559 B13R1.575 COc1cc(ccc1F)NCCO 34a_100000701188_100000211926 [0,2,0,0,0,0|1,0,0]=3 7560 B13R1.575 COc1cc(ccc1F)NCSC 2230a_100000701188_100011218213 [0,2,0,0,0,0|1,1,0]=4 7561 B13R1.575 COc1cc(ccc1F)NCSC 34a_100000701188_100011218213 [0,2,0,0,0,0|1,1,0]=4 7562 B13R1.575 COc1cc(ccc1F)OCC#N 7a_100012001760_100011215382 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,2,0,0,0,0|1,0,1]=4 7564 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,2,0,0,0,0|1,0,1]=4 7565 B13R1.575 COc1cc(ccc1F)OCCF 34a_100012001760_100011217306 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.575 COc1cc(ccc1F)OCCF 7a_100012001760_100011217306 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.575 COc1cc(ccc1F)OCCO 34a_100012001760_100000211926 [0,2,0,0,0,0|1,0,0]=3 7568 B13R1.575 COc1cc(ccc1F)OCCO 7a_100012001760_100000211926 [0,2,0,0,0,0|1,0,0]=3 7569 B13R1.575 COc1cc(ccc1F)OCSC 34a_100012001760_100011218213 [0,2,0,0,0,0|1,1,0]=4 7570 B13R1.575 COc1cc(ccc1F)SCC#N 62a_100011215382_100011934186 [0,2,0,0,0,0|2,0,0]=4 7571 B13R1.575 COc1cc(ccc1F)SCC#N 62a_100011934186_100011215382 [0,2,0,0,0,0|2,0,0]=4 7572 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [0,2,0,0,0,0|1,0,1]=4 7573 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [0,2,0,0,0,0|1,0,1]=4 7574 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011217306_100011934186 [0,2,0,0,0,0|2,0,0]=4 7575 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011934186_100011217306 [0,2,0,0,0,0|2,0,0]=4 7576 B13R1.575 COc1cc(ccc1F)SCCO 62a_100000211926_100011934186 [0,2,0,0,0,0|1,0,0]=3 7577 B13R1.575 COc1cc(ccc1F)SCCO 62a_100011934186_100000211926 [0,2,0,0,0,0|1,0,0]=3 7578 B13R1.575 COc1cc(ccc1F)SCSC 62a_100011218213_100011934186 [0,2,0,0,0,0|1,1,0]=4 7579 B13R1.575 COc1cc(ccc1F)SCSC 62a_100011934186_100011218213 [0,2,0,0,0,0|1,1,0]=4 7580 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [0,2,0,0,0,0|1,0,1]=4 7581 B13R1.575 COc1cc(ccc1I)NCCF 34a_100000746945_100011217306 [0,2,0,0,0,0|2,0,0]=4 7582 B13R1.575 COc1cc(ccc1I)NCCO 34a_100000746945_100000211926 [0,2,0,0,0,0|1,0,0]=3 7583 B13R1.575 COc1cc(ccc1I)NCSC 34a_100000746945_100011218213 [0,2,0,0,0,0|1,1,0]=4 7584 B13R1.575 COc1cc(ccc1N)COCF 34a_100000087641_100015361967 [0,2,0,0,0,0|1,0,0]=3 7585 B13R1.575 COc1cc(ccc1N)OCC#N 7a_100015326901_100011215382 [0,2,0,0,0,0|2,0,0]=4 7586 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,2,0,0,0,0|1,0,1]=4 7587 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,2,0,0,0,0|1,0,1]=4 7588 B13R1.575 COc1cc(ccc1N)OCCF 34a_100015326901_100011217306 [0,2,0,0,0,0|2,0,0]=4 7589 B13R1.575 COc1cc(ccc1N)OCCF 7a_100015326901_100011217306 [0,2,0,0,0,0|2,0,0]=4 7590 B13R1.575 COc1cc(ccc1N)OCCO 34a_100015326901_100000211926 [0,2,0,0,0,0|1,0,0]=3 7591 B13R1.575 COc1cc(ccc1N)OCCO 7a_100015326901_100000211926 [0,2,0,0,0,0|1,0,0]=3 7592 B13R1.575 COc1cc(ccc1N)OCSC 34a_100015326901_100011218213 [0,2,0,0,0,0|1,1,0]=4 7593 B13R1.575 COc1cc(ccc1N)SCC#N 62a_100011215382_100015196925 [0,2,0,0,0,0|2,0,0]=4 7594 B13R1.575 COc1cc(ccc1N)SCC#N 62a_100011279103_100011215382 [0,2,0,0,0,0|2,0,0]=4 7595 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [0,2,0,0,0,0|1,0,1]=4 7596 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [0,2,0,0,0,0|1,0,1]=4 7597 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011217306_100015196925 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011279103_100011217306 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.575 COc1cc(ccc1N)SCCO 62a_100000211926_100015196925 [0,2,0,0,0,0|1,0,0]=3 7600 B13R1.575 COc1cc(ccc1N)SCCO 62a_100011279103_100000211926 [0,2,0,0,0,0|1,0,0]=3 7601 B13R1.575 COc1cc(ccc1N)SCSC 62a_100011218213_100015196925 [0,2,0,0,0,0|1,1,0]=4 7602 B13R1.575 COc1cc(ccc1N)SCSC 62a_100011279103_100011218213 [0,2,0,0,0,0|1,1,0]=4 7603 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,2,0,0,0,0|1,0,0]=3 7604 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,2,0,0,0,0|0,1,0]=3 7605 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,2,0,0,0,0|0,1,0]=3 7606 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,2,0,0,0,0|1,0,0]=3 7607 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,2,0,0,0,0|0,0,1]=3 7608 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,2,0,0,0,0|1,0,0]=3 7609 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,2,0,0,0,0|0,0,0]=2 7610 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,2,0,0,0,0|0,1,0]=3 7611 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,2,0,0,0,0|1,0,0]=3 7612 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,2,0,0,0,0|0,0,1]=3 7613 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,2,0,0,0,0|1,0,0]=3 7614 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,2,0,0,0,0|0,0,0]=2 7615 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,2,0,0,0,0|0,1,0]=3 7616 B13R1.575 COc1cc(cnc1C)SCCO 62a_100000211926_100010254219 [0,2,0,0,0,0|2,0,0]=4 7617 B13R1.575 COc1cc(cnc1C)SCCO 62a_100010254219_100000211926 [0,2,0,0,0,0|2,0,0]=4 7618 B13R1.575 COc1cc(cnc1F)SCCO 62a_100000211926_100010214931 [0,2,0,0,0,0|2,0,0]=4 7619 B13R1.575 COc1cc(cnc1F)SCCO 62a_100010214931_100000211926 [0,2,0,0,0,0|2,0,0]=4 7620 B13R1.575 COc1cc(cnc1N)SCCO 62a_100000211926_106354213024 [0,2,0,0,0,0|2,0,0]=4 7621 B13R1.575 COc1cc(cnc1N)SCCO 62a_106354213024_100000211926 [0,2,0,0,0,0|2,0,0]=4 7622 B13R1.575 COc1cc(ncc1Br)COCF 34a_100010999569_100015361967 [0,2,0,0,0,0|2,0,0]=4 7623 B13R1.575 COc1cc(ncc1C)SCCO 62a_100000211926_100010067687 [0,2,0,0,0,0|2,0,0]=4 7624 B13R1.575 COc1cc(ncc1C)SCCO 62a_100010067687_100000211926 [0,2,0,0,0,0|2,0,0]=4 7625 B13R1.575 COc1cc(ncc1F)SCCO 62a_100000211926_200010136270 [0,2,0,0,0,0|2,0,0]=4 7626 B13R1.575 COc1cc(ncc1F)SCCO 62a_200010136270_100000211926 [0,2,0,0,0,0|2,0,0]=4 7627 B13R1.575 COc1cc(ncc1N)SCCO 62a_100000211926_100009887741 [0,2,0,0,0,0|2,0,0]=4 7628 B13R1.575 COc1cc(ncc1N)SCCO 62a_100009887741_100000211926 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.575 COc1nc(ccc1N)SCCO 62a_100000211926_100000687816 [0,2,0,0,0,0|2,0,0]=4 7630 B13R1.575 COc1nc(ccc1N)SCCO 62a_100000687816_100000211926 [0,2,0,0,0,0|2,0,0]=4 7631 B13R1.575 COc1nc(ccc1O)SCC#N 62a_100011215382_100010893133 [0,2,0,0,0,0|2,0,0]=4 7632 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [0,2,0,0,0,0|1,0,1]=4 7633 B13R1.575 COc1nc(ccc1O)SCCF 62a_100011217306_100010893133 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.575 COc1nc(ccc1O)SCCO 62a_100000211926_100010893133 [0,2,0,0,0,0|1,0,0]=3 7635 B13R1.575 COc1nc(ccc1O)SCSC 62a_100011218213_100010893133 [0,2,0,0,0,0|1,1,0]=4 7636 B13R1.575 COc1nc(cnc1O)SCCO 62a_100000211926_200010365344 [0,2,0,0,0,0|2,0,0]=4 7637 B13R1.575 COc1nc(cnc1O)SCCO 62a_200010365344_100000211926 [0,2,0,0,0,0|2,0,0]=4 7638 B13R1.575 CSc1cc(ccc1C)SCCO 62a_100010989109_200000210301 [0,2,0,0,0,0|1,1,0]=4 7639 B13R1.575 CSc1cc(ccc1C)SCCO 62a_200000210301_100010989109 [0,2,0,0,0,0|1,1,0]=4 7640 B13R1.575 CSc1cc(ccc1F)SCCO 62a_100000211926_100010341305 [0,2,0,0,0,0|1,1,0]=4 7641 B13R1.575 CSc1cc(ccc1F)SCCO 62a_100010341305_100000211926 [0,2,0,0,0,0|1,1,0]=4 7642 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 2230a_100012283766_200025704644 [0,2,0,0,0,0|2,0,0]=4 7643 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 34a_100012283766_200025704644 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 7a_100012283766_200025704644 [0,2,0,0,0,0|2,0,0]=4 7645 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [0,2,0,0,0,0|1,0,0]=3 7646 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [0,2,0,0,0,0|1,0,0]=3 7647 B13R1.575 Cc1ccc(cc1S[13CH3])SCCO 62a_100010989109_200025704644 [0,2,0,0,0,0|1,1,0]=4 7648 B13R1.575 Cc1ccc(cc1S[13CH3])SCCO 62a_200025704644_100010989109 [0,2,0,0,0,0|1,1,0]=4 7649 B13R1.575 N#Cc1cc(ccc1O)NCCO 34a_100011249283_100000211926 [0,2,0,0,0,0|2,0,0]=4 7650 B13R1.575 N#Cc1cc(ccc1O)SCCO 62a_100000211926_100000687585 [0,2,0,0,0,0|2,0,0]=4 7651 B13R1.575 NCc1cc(ccc1O)SCCO 62a_100000211926_100000730032 [0,2,0,0,0,0|2,0,0]=4 7652 B13R1.575 NCc1cc(ccc1O)SCCO 62a_100000730032_100000211926 [0,2,0,0,0,0|2,0,0]=4 7653 B13R1.575 O=Cc1cc(ccc1O)SCCO 62a_100000211926_100000186750 [0,2,0,0,0,0|2,0,0]=4 7654 B13R1.575 OCCSc1ccc(c(c1)CO)O 62a_100000184703_100000211926 [0,2,0,0,0,0|2,0,0]=4 7655 B13R1.575 OCCSc1ccc(c(c1)CO)O 62a_100000211926_100000184703 [0,2,0,0,0,0|2,0,0]=4 7656 B13R1.1255 CCNc1ccc(c(c1F)OC)F 34a_100137314619_100000210202 [0,2,0,0,0,0|2,0,0]=4 7657 B13R1.1255 CCOc1ccc(c(c1F)OC)F 34a_100000062073_100000210202 [0,2,0,0,0,0|2,0,0]=4 7658 B13R1.1255 CCOc1ccc(c(c1F)OC)F 7a_100000062073_100000210202 [0,2,0,0,0,0|2,0,0]=4 7659 B13R1.1255 CCSc1ccc(c(c1F)OC)Cl 62a_100000210202_200135222481 [0,2,0,0,0,0|2,0,0]=4 7660 B13R1.1255 CCSc1ccc(c(c1F)OC)Cl 62a_200135222481_100000210202 [0,2,0,0,0,0|2,0,0]=4 7661 B13R1.1255 CCSc1ccc(c(c1F)OC)N 62a_100000210202_100010734149 [0,2,0,0,0,0|2,0,0]=4 7662 B13R1.1255 CCSc1ccc(c(c1F)OC)N 62a_100010734149_100000210202 [0,2,0,0,0,0|2,0,0]=4 7663 B13R1.1255 CNCc1ccc(c(c1F)OC)Br 207a_100102657272_200010981996 [0,2,0,0,0,0|2,0,0]=4 7664 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 207a_100102657272_100009889114 [0,2,0,0,0,0|2,0,0]=4 7665 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 2230a_106832991635_100010116237 [0,2,0,0,0,0|2,0,0]=4 7666 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 270004a_106832991635_100009889114 [0,2,0,0,0,0|2,0,0]=4 7667 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 34a_100102657272_100010116237 [0,2,0,0,0,0|2,0,0]=4 7668 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 34a_200009889119_200000210301 [0,2,0,0,0,0|2,0,0]=4 7669 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 7a_106832991635_100010116237 [0,2,0,0,0,0|2,0,0]=4 7670 B13R1.1255 CNCc1ccc(c(c1F)OC)F 207a_100102657272_100000050928 [0,2,0,0,0,0|2,0,0]=4 7671 B13R1.1255 CNCc1ccc(c(c1F)OC)F 2230a_106832991635_100009814548 [0,2,0,0,0,0|2,0,0]=4 7672 B13R1.1255 CNCc1ccc(c(c1F)OC)F 270004a_106832991635_100000050928 [0,2,0,0,0,0|2,0,0]=4 7673 B13R1.1255 CNCc1ccc(c(c1F)OC)F 34a_100102657272_100009814548 [0,2,0,0,0,0|2,0,0]=4 7674 B13R1.1255 CNCc1ccc(c(c1F)OC)F 34a_115082355467_200000210301 [0,2,0,0,0,0|2,0,0]=4 7675 B13R1.1255 CNCc1ccc(c(c1F)OC)F 7a_106832991635_100009814548 [0,2,0,0,0,0|2,0,0]=4 7676 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100009889115_200000210301 [0,2,0,0,0,0|1,0,0]=3 7677 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100138415774_100010116237 [0,2,0,0,0,0|1,0,0]=3 7678 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 7a_100009889115_200000210301 [0,2,0,0,0,0|1,0,0]=3 7679 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100000081355_200000210301 [0,2,0,0,0,0|1,0,0]=3 7680 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100138415774_100009814548 [0,2,0,0,0,0|1,0,0]=3 7681 B13R1.1255 COCc1ccc(c(c1F)OC)F 7a_100000081355_200000210301 [0,2,0,0,0,0|1,0,0]=3 7682 B13R1.1255 COCc1ncc(c(c1C)OC)C 34a_100011217710_200000210301 [0,2,0,0,0,0|2,0,0]=4 7683 B13R1.1255 COCc1ncc(c(c1C)OC)C 34a_100138415774_100000737168 [0,2,0,0,0,0|2,0,0]=4 7684 B13R1.1255 COc1c(ccc(c1F)CN[13CH3])Cl 34a_200009889119_200025704644 [0,2,0,0,0,0|2,0,0]=4 7685 B13R1.1255 COc1c(ccc(c1F)CN[13CH3])F 34a_115082355467_200025704644 [0,2,0,0,0,0|2,0,0]=4 7686 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 34a_100009889115_200025704644 [0,2,0,0,0,0|1,0,0]=3 7687 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 7a_100009889115_200025704644 [0,2,0,0,0,0|1,0,0]=3 7688 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 34a_100000081355_200025704644 [0,2,0,0,0,0|1,0,0]=3 7689 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 7a_100000081355_200025704644 [0,2,0,0,0,0|1,0,0]=3 7690 B13R1.1255 COc1c(ccc(c1F)CSC)Cl 62a_100010116237_200000210301 [0,2,0,0,0,0|1,1,0]=4 7691 B13R1.1255 COc1c(ccc(c1F)CSC)Cl 62a_200000210301_100010116237 [0,2,0,0,0,0|1,1,0]=4 7692 B13R1.1255 COc1c(ccc(c1F)CSC)F 62a_100009814548_200000210301 [0,2,0,0,0,0|1,1,0]=4 7693 B13R1.1255 COc1c(ccc(c1F)CSC)F 62a_200000210301_100009814548 [0,2,0,0,0,0|1,1,0]=4 7694 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])Cl 62a_100010116237_200025704644 [0,2,0,0,0,0|1,1,0]=4 7695 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])Cl 62a_200025704644_100010116237 [0,2,0,0,0,0|1,1,0]=4 7696 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])F 62a_100009814548_200025704644 [0,2,0,0,0,0|1,1,0]=4 7697 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])F 62a_200025704644_100009814548 [0,2,0,0,0,0|1,1,0]=4 7698 B13R1.1255 COc1c(ccc(c1F)NCF)F 34a_100137314619_100015361967 [0,2,0,0,0,0|2,0,0]=4 7699 B13R1.1255 COc1c(ccc(c1F)OCF)F 34a_100000062073_100015361967 [0,2,0,0,0,0|2,0,0]=4 7700 B13R1.1255 COc1c(ccc(c1F)OCF)F 7a_100000062073_100015361967 [0,2,0,0,0,0|2,0,0]=4 7701 B13R1.1255 COc1c(ccc(c1F)SCF)Cl 62a_100015361967_200135222481 [0,2,0,0,0,0|2,0,0]=4 7702 B13R1.1255 COc1c(ccc(c1F)SCF)Cl 62a_200135222481_100015361967 [0,2,0,0,0,0|2,0,0]=4 7703 B13R1.1255 COc1c(ccc(c1F)SCF)N 62a_100010734149_100015361967 [0,2,0,0,0,0|2,0,0]=4 7704 B13R1.1255 COc1c(ccc(c1F)SCF)N 62a_100015361967_100010734149 [0,2,0,0,0,0|2,0,0]=4 7705 B13R1.1255 COc1c(cnc(c1C)CO[13CH3])C 34a_100011217710_200025704644 [0,2,0,0,0,0|2,0,0]=4 7706 B13R1.4030 CCNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_100000210202 [0,2,0,0,0,0|2,0,0]=4 7707 B13R1.4030 CCNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_100000210202 [0,2,0,0,0,0|2,0,0]=4 7708 B13R1.4030 CCNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_100000210202 [0,2,0,0,0,0|2,0,0]=4 7709 B13R1.4030 CCSc1cc(c(c(c1)CC)O)C 62a_100000210202_100010659108 [0,2,0,0,0,0|2,0,0]=4 7710 B13R1.4030 CCSc1cc(c(c(c1)OC)F)C 62a_100000210202_100010271686 [0,2,0,0,0,0|2,0,0]=4 7711 B13R1.4030 CCSc1cc(c(c(c1)OC)F)C 62a_100010271686_100000210202 [0,2,0,0,0,0|2,0,0]=4 7712 B13R1.4030 CCSc1cc(c(c(c1)OC)F)F 62a_100000210202_100011218012 [0,2,0,0,0,0|2,0,0]=4 7713 B13R1.4030 CCSc1cc(c(c(c1)OC)F)F 62a_100011218012_100000210202 [0,2,0,0,0,0|2,0,0]=4 7714 B13R1.4030 CCSc1cc(c(c(c1)OC)F)O 62a_100000210202_200015524394 [0,2,0,0,0,0|2,0,0]=4 7715 B13R1.4030 CCSc1cc(c(c(c1)OC)F)O 62a_200015524394_100000210202 [0,2,0,0,0,0|2,0,0]=4 7716 B13R1.4030 CCSc1cc(c(c(c1)OC)N)C 62a_100000210202_100000741850 [0,2,0,0,0,0|2,0,0]=4 7717 B13R1.4030 CCSc1cc(c(c(c1)OC)N)C 62a_100000741850_100000210202 [0,2,0,0,0,0|2,0,0]=4 7718 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [0,2,0,0,0,0|1,0,0]=3 7719 B13R1.4030 CCc1cc(cc(c1O)C)SCF 62a_100015361967_100010659108 [0,2,0,0,0,0|2,0,0]=4 7720 B13R1.4030 CNCc1cc(c(c(c1)OC)F)F 207a_100102657272_100000050682 [0,2,0,0,0,0|2,0,0]=4 7721 B13R1.4030 CNCc1cc(c(c(c1)OC)F)F 270004a_106832991635_100000050682 [0,2,0,0,0,0|2,0,0]=4 7722 B13R1.4030 COc1cc(cc(c1Cl)Br)NCF 34a_100010131419_100015361967 [0,2,0,0,0,0|2,0,0]=4 7723 B13R1.4030 COc1cc(cc(c1Cl)Br)NCF 7a_100010131419_100015361967 [0,2,0,0,0,0|2,0,0]=4 7724 B13R1.4030 COc1cc(cc(c1F)C)SCF 62a_100010271686_100015361967 [0,2,0,0,0,0|2,0,0]=4 7725 B13R1.4030 COc1cc(cc(c1F)C)SCF 62a_100015361967_100010271686 [0,2,0,0,0,0|2,0,0]=4 7726 B13R1.4030 COc1cc(cc(c1F)F)SCF 62a_100011218012_100015361967 [0,2,0,0,0,0|2,0,0]=4 7727 B13R1.4030 COc1cc(cc(c1F)F)SCF 62a_100015361967_100011218012 [0,2,0,0,0,0|2,0,0]=4 7728 B13R1.4030 COc1cc(cc(c1F)O)SCF 62a_100015361967_200015524394 [0,2,0,0,0,0|2,0,0]=4 7729 B13R1.4030 COc1cc(cc(c1F)O)SCF 62a_200015524394_100015361967 [0,2,0,0,0,0|2,0,0]=4 7730 B13R1.4030 COc1cc(cc(c1N)C)SCF 62a_100000741850_100015361967 [0,2,0,0,0,0|2,0,0]=4 7731 B13R1.4030 COc1cc(cc(c1N)C)SCF 62a_100015361967_100000741850 [0,2,0,0,0,0|2,0,0]=4 7732 B13R1.4030 COc1cc(cc(c1O)O)SCF 62a_100015361967_200159242197 [0,2,0,0,0,0|1,0,0]=3 7733 B13R1.425 CSc1cc(c(c(c1F)F)F)CO 62a_100010161348_200000210301 [0,2,0,0,0,0|1,1,0]=4 7734 B13R1.425 CSc1cc(c(c(c1F)F)F)CO 62a_200000210301_100010161348 [0,2,0,0,0,0|1,1,0]=4 7735 B13R1.425 [13CH3]Sc1cc(c(c(c1F)F)F)CO 62a_100010161348_200025704644 [0,2,0,0,0,0|1,1,0]=4 7736 B13R1.425 [13CH3]Sc1cc(c(c(c1F)F)F)CO 62a_200025704644_100010161348 [0,2,0,0,0,0|1,1,0]=4 7737 B13R1.433 C=Cc1cc(c(c(c1)OC)O)CO 271570a_100011290941_100000185604 [0,2,0,0,0,0|1,0,1]=4 7738 B13R1.433 C=Cc1cc(c(c(c1)OC)O)OC 271570a_100011290941_100000691893 [0,2,0,0,0,0|1,0,1]=4 7739 B13R1.433 C=Cc1cc(cc(c1O)OC)C#N 271570a_100011290941_100000188612 [0,2,0,0,0,0|1,0,1]=4 7740 B13R1.433 C=Cc1cc(cc(c1O)OC)C=O 271570a_100011290941_100000184534 [0,2,0,0,0,0|0,0,2]=4 7741 B13R1.433 C=Cc1cc(cc(c1O)OC)CO 271570a_100011290941_200000022573 [0,2,0,0,0,0|0,0,0]=2 7742 B13R1.433 COc1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000186544 [0,2,0,0,0,0|2,0,0]=4 7743 B13R1.433 COc1cc(cc(c1O)C=O)SC 62a_200000210301_100000047136 [0,2,0,0,0,0|2,0,0]=4 7744 B13R1.433 COc1cc(cc(c1O)C=O)S[13CH3] 62a_200025704644_100000047136 [0,2,0,0,0,0|2,0,0]=4 7745 B13R1.433 COc1cc(cc(c1O)CO)SC 62a_200000210301_100000185604 [0,2,0,0,0,0|2,0,0]=4 7746 B13R1.433 COc1cc(cc(c1O)CO)S[13CH3] 62a_200025704644_100000185604 [0,2,0,0,0,0|2,0,0]=4 7747 B13R1.433 COc1cc(cc(c1O)OC)CO 271570a_203496583355_100010169844 [0,2,0,0,0,0|0,0,0]=2 7748 B13R1.433 COc1cc(cc(c1O)SC)C#N 62a_200000210301_100000188612 [0,2,0,0,0,0|1,0,1]=4 7749 B13R1.433 COc1cc(cc(c1O)SC)C=O 62a_200000210301_100000184534 [0,2,0,0,0,0|0,0,2]=4 7750 B13R1.433 COc1cc(cc(c1O)SC)CO 62a_200000210301_200000022573 [0,2,0,0,0,0|0,0,0]=2 7751 B13R1.433 COc1cc(cc(c1O)S[13CH3])C#N 62a_200025704644_100000188612 [0,2,0,0,0,0|1,0,1]=4 7752 B13R1.433 COc1cc(cc(c1O)S[13CH3])C=O 62a_200025704644_100000184534 [0,2,0,0,0,0|0,0,2]=4 7753 B13R1.433 COc1cc(cc(c1O)S[13CH3])CO 62a_200025704644_200000022573 [0,2,0,0,0,0|0,0,0]=2 7754 B13R1.437 C=C(C)c1cc(cc(c1F)F)CO 271570a_100000694244_100015464361 [0,2,0,0,0,0|2,0,0]=4 7755 B13R1.3378 CCc1c(cc(c(c1Cl)OC)N)Cl 34a_100020625787_200000210301 [0,2,0,0,0,0|2,0,0]=4 7756 B13R1.3378 CCc1c(cc(c(c1Cl)OC)N)Cl 7a_100020625787_200000210301 [0,2,0,0,0,0|2,0,0]=4 7757 B13R1.3378 CCc1c(cc(c(c1Cl)O[13CH3])N)Cl 34a_100020625787_200025704644 [0,2,0,0,0,0|2,0,0]=4 7758 B13R1.3378 CCc1c(cc(c(c1Cl)O[13CH3])N)Cl 7a_100020625787_200025704644 [0,2,0,0,0,0|2,0,0]=4 7759 B13R1.3378 COc1c(cc(c(c1Br)CO)Br)Br 7a_200009990406_200000210301 [0,2,0,0,0,0|1,0,0]=3 7760 B13R1.3378 [13CH3]Oc1c(cc(c(c1Br)CO)Br)Br 7a_200009990406_200025704644 [0,2,0,0,0,0|1,0,0]=3 7761 B13R1.98 OCc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100012353898 [0,2,0,0,0,0|2,0,0]=4 7762 B13R1.2277 COc1c(ncc(c1CN)CO)C 34a_100000070454_200000210301 [0,2,0,0,0,0|2,0,0]=4 7763 B13R1.2277 COc1ccc(c(c1OC)OC)O 271570a_203496583355_100011320274 [0,2,0,0,0,0|2,0,0]=4 7764 B13R1.2277 Cc1ncc(c(c1O[13CH3])CN)CO 34a_100000070454_200025704644 [0,2,0,0,0,0|2,0,0]=4 7765 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,0,1,1,0,0|1,0,1]=4 7766 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,0,1,1,0,0|2,0,0]=4 7767 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [0,0,1,1,0,0|2,0,0]=4 7768 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [0,0,1,1,0,0|1,0,1]=4 7769 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [0,0,1,1,0,0|2,0,0]=4 7770 B11R1.83 CC=Cc1ccc(cn1)CO 271570a_100016259895_100009816760 [0,0,1,1,0,0|2,0,0]=4 7771 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [0,0,1,1,0,0|1,0,1]=4 7772 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [1,0,0,1,0,0|2,0,0]=4 7773 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|2,0,0]=4 7774 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [1,0,0,1,0,0|2,0,0]=4 7775 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,1,0,0|1,0,0]=3 7776 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|2,0,0]=4 7777 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,0]=3 7778 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|0,0,0]=2 7779 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,1,0,0|1,0,1]=4 7780 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,1,0,0|2,0,0]=4 7781 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,1,0,0|1,0,1]=4 7782 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,1,0,0|1,0,1]=4 7783 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,1,0,0|1,0,1]=4 7784 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,1,0,0|2,0,0]=4 7785 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [1,0,0,1,0,0|1,1,0]=4 7786 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [1,0,0,1,0,0|1,1,0]=4 7787 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [1,0,0,1,0,0|1,1,0]=4 7788 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [1,0,0,1,0,0|1,1,0]=4 7789 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|1,0,1]=4 7790 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|0,0,2]=4 7791 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|0,0,2]=4 7792 B13R2.2461 CCc1cc(ccc1O)C2CC2 271570a_100011220607_100012338938 [0,1,0,1,0,0|2,0,0]=4 7793 B13R2.2461 COc1cc(ccc1Br)C2CC2 271570a_100011220607_100012353699 [0,1,0,1,0,0|2,0,0]=4 7794 B13R2.2461 COc1cc(ccc1C)C2CC2 271570a_100011220607_100011830276 [0,1,0,1,0,0|2,0,0]=4 7795 B13R2.2461 COc1cc(ccc1Cl)C2CC2 271570a_100011220607_100011356853 [0,1,0,1,0,0|2,0,0]=4 7796 B13R2.2461 COc1cc(ccc1F)C2CC2 271570a_100011220607_100011934186 [0,1,0,1,0,0|2,0,0]=4 7797 B13R2.2461 COc1cc(ccc1F)C2CC2 34a_100118380312_200000210301 [0,1,0,1,0,0|2,0,0]=4 7798 B13R2.2461 COc1cc(ccc1F)C2CC2 7a_100118380312_200000210301 [0,1,0,1,0,0|2,0,0]=4 7799 B13R2.2461 COc1cc(ccc1N)C2CC2 271570a_100011220607_100011279103 [0,1,0,1,0,0|2,0,0]=4 7800 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,1,0,1,0,0|1,0,0]=3 7801 B13R2.2461 COc1nc(ccc1O)C2CC2 271570a_100011220607_100010893133 [0,1,0,1,0,0|2,0,0]=4 7802 B13R2.2461 CSc1cc(ccc1O)C2CC2 62a_200000210301_100135415898 [0,1,0,1,0,0|1,1,0]=4 7803 B13R2.2461 [13CH3]Oc1cc(ccc1F)C2CC2 34a_100118380312_200025704644 [0,1,0,1,0,0|2,0,0]=4 7804 B13R2.2461 [13CH3]Oc1cc(ccc1F)C2CC2 7a_100118380312_200025704644 [0,1,0,1,0,0|2,0,0]=4 7805 B13R2.2461 [13CH3]Sc1cc(ccc1O)C2CC2 62a_200025704644_100135415898 [0,1,0,1,0,0|1,1,0]=4 7806 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,1,0,1,0,0|1,0,1]=4 7807 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,1,0,1,0,0|2,0,0]=4 7808 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,1,0,1,0,0|2,0,0]=4 7809 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|2,0,0]=4 7810 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,1,0,1,0,0|2,0,0]=4 7811 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,1,0,1,0,0|2,0,0]=4 7812 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,1,0,1,0,0|2,0,0]=4 7813 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,1,0,1,0,0|2,0,0]=4 7814 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|2,0,0]=4 7815 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,1,0,1,0,0|2,0,0]=4 7816 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,1,0,1,0,0|2,0,0]=4 7817 B13R2.2169 CCc1ccc(c(c1)C2CC2)O 271570a_100011220607_100012339963 [0,1,0,1,0,0|2,0,0]=4 7818 B13R2.2169 Cc1ccc(cc1C2CC2)CO 271570a_100011220607_100000050133 [0,1,0,1,0,0|2,0,0]=4 7819 B13R2.2169 OCc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000246287 [0,1,0,1,0,0|2,0,0]=4 7820 B13R2.2169 OCc1ccc(c(c1)C2CC2)O 271570a_100011220607_100011191544 [0,1,0,1,0,0|1,0,0]=3 7821 B13R2.2169 OCc1ccc(c(n1)C2CC2)O 271570a_100011220607_200000118097 [0,1,0,1,0,0|2,0,0]=4 7822 B13R2.121 CNc1c(ccc2c1OCO2)Cl 34a_100000087791_200000210301 [0,1,0,1,0,0|2,0,0]=4 7823 B13R2.121 CNc1c(ccc2c1OCO2)F 34a_100000091648_200000210301 [0,1,0,1,0,0|2,0,0]=4 7824 B13R2.121 COc1c(ccc2c1CCC2)Br 34a_100010662108_200000210301 [0,1,0,1,0,0|2,0,0]=4 7825 B13R2.121 COc1c(ccc2c1CCC2)Br 7a_100010662108_200000210301 [0,1,0,1,0,0|2,0,0]=4 7826 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,1,0,1,0,0|2,0,0]=4 7827 B13R2.121 O=Cc1c(ccc2c1OCO2)O 271570a_203496583355_100009816621 [0,1,0,1,0,0|2,0,0]=4 7828 B13R2.121 [13CH3]Nc1c(ccc2c1OCO2)Cl 34a_100000087791_200025704644 [0,1,0,1,0,0|2,0,0]=4 7829 B13R2.121 [13CH3]Nc1c(ccc2c1OCO2)F 34a_100000091648_200025704644 [0,1,0,1,0,0|2,0,0]=4 7830 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 34a_100010662108_200025704644 [0,1,0,1,0,0|2,0,0]=4 7831 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 7a_100010662108_200025704644 [0,1,0,1,0,0|2,0,0]=4 7832 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,1,0,1,0,0|1,0,1]=4 7833 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,1,0,1,0,0|1,0,1]=4 7834 B13R2.449 CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210202 [0,1,0,1,0,0|2,0,0]=4 7835 B13R2.449 CCNc1ccc2c(c1)CCO2 34a_100000736984_100000210202 [0,1,0,1,0,0|2,0,0]=4 7836 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,1,0,1,0,0|1,0,0]=3 7837 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,1,0,1,0,0|1,0,0]=3 7838 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,1,0,1,0,0|1,0,0]=3 7839 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000210202_100000729065 [0,1,0,1,0,0|2,0,0]=4 7840 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210202 [0,1,0,1,0,0|2,0,0]=4 7841 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100000210202_100009818566 [0,1,0,1,0,0|2,0,0]=4 7842 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210202 [0,1,0,1,0,0|2,0,0]=4 7843 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,1,0,1,0,0|2,0,0]=4 7844 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,1,0,1,0,0|2,0,0]=4 7845 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,1,0,1,0,0|2,0,0]=4 7846 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,1,0,1,0,0|2,0,0]=4 7847 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,1,0,1,0,0|1,0,0]=3 7848 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,1,0,1,0,0|1,0,0]=3 7849 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,1,0,1,0,0|1,0,0]=3 7850 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,1,0,1,0,0|1,0,0]=3 7851 B13R2.449 COCc1ccc2c(c1)CCC2 34a_200000765175_200000210301 [0,1,0,1,0,0|2,0,0]=4 7852 B13R2.449 COCc1ccc2c(c1)CCC2 7a_200000765175_200000210301 [0,1,0,1,0,0|2,0,0]=4 7853 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,1,0,1,0,0|1,0,0]=3 7854 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,1,0,1,0,0|1,0,0]=3 7855 B13R2.449 COCc1ccc2c(c1)NCC2 34a_100000694088_200000210301 [0,1,0,1,0,0|2,0,0]=4 7856 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,1,0,0|0,0,0]=2 7857 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,1,0,0|0,0,0]=2 7858 B13R2.449 COCc1ccc2ccoc2c1 34a_200009859634_200000210301 [0,1,0,1,0,0|1,0,1]=4 7859 B13R2.449 COCc1ccc2ccoc2c1 7a_200009859634_200000210301 [0,1,0,1,0,0|1,0,1]=4 7860 B13R2.449 COCc1ccc2ncoc2c1 34a_100138415774_106359897996 [0,1,0,1,0,0|1,0,1]=4 7861 B13R2.449 COCc1ccc2occc2c1 34a_100000067418_200000210301 [0,1,0,1,0,0|1,0,1]=4 7862 B13R2.449 COCc1ccc2occc2c1 7a_100000067418_200000210301 [0,1,0,1,0,0|1,0,1]=4 7863 B13R2.449 COCc1ccc2ocnc2c1 34a_100138415774_200010203175 [0,1,0,1,0,0|1,0,1]=4 7864 B13R2.449 FCNc1ccc2c(c1)CCO2 34a_100000736984_100015361967 [0,1,0,1,0,0|2,0,0]=4 7865 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,1,0,1,0,0|1,0,0]=3 7866 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,1,0,1,0,0|1,0,0]=3 7867 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100000729065_100015361967 [0,1,0,1,0,0|2,0,0]=4 7868 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100015361967_100000729065 [0,1,0,1,0,0|2,0,0]=4 7869 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100009818566_100015361967 [0,1,0,1,0,0|2,0,0]=4 7870 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100015361967_100009818566 [0,1,0,1,0,0|2,0,0]=4 7871 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,1,0,1,0,0|2,0,0]=4 7872 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,1,0,1,0,0|2,0,0]=4 7873 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,1,0,1,0,0|1,0,0]=3 7874 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,1,0,1,0,0|1,0,0]=3 7875 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 34a_200000765175_200025704644 [0,1,0,1,0,0|2,0,0]=4 7876 B13R2.449 [13CH3]OCc1ccc2c(c1)CCC2 7a_200000765175_200025704644 [0,1,0,1,0,0|2,0,0]=4 7877 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,1,0,1,0,0|1,0,0]=3 7878 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,1,0,1,0,0|1,0,0]=3 7879 B13R2.449 [13CH3]OCc1ccc2c(c1)NCC2 34a_100000694088_200025704644 [0,1,0,1,0,0|2,0,0]=4 7880 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,1,0,0|0,0,0]=2 7881 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 34a_200009859634_200025704644 [0,1,0,1,0,0|1,0,1]=4 7882 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 7a_200009859634_200025704644 [0,1,0,1,0,0|1,0,1]=4 7883 B13R2.449 [13CH3]OCc1ccc2occc2c1 34a_100000067418_200025704644 [0,1,0,1,0,0|1,0,1]=4 7884 B13R2.449 [13CH3]OCc1ccc2occc2c1 7a_100000067418_200025704644 [0,1,0,1,0,0|1,0,1]=4 7885 B13R2.599 C=Cc1cc2c(cc1N)OCO2 271570a_100011290941_100012557033 [0,1,0,1,0,0|1,0,1]=4 7886 B13R2.599 C=Cc1cc2c(cc1O)OCO2 271570a_100011290941_100010290809 [0,1,0,1,0,0|1,0,1]=4 7887 B13R2.599 CNc1cc2c(cc1C)OCO2 2230a_100000066439_200000210301 [0,1,0,1,0,0|2,0,0]=4 7888 B13R2.599 CNc1cc2c(cc1C)OCO2 34a_100000066439_200000210301 [0,1,0,1,0,0|2,0,0]=4 7889 B13R2.599 CNc1cc2c(cc1Cl)OCO2 34a_100000234339_200000210301 [0,1,0,1,0,0|2,0,0]=4 7890 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,1,0,1,0,0|1,0,1]=4 7891 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,1,0,1,0,0|1,0,1]=4 7892 B13R2.599 COc1cc2c(cc1Br)CCC2 34a_200010659162_200000210301 [0,1,0,1,0,0|2,0,0]=4 7893 B13R2.599 COc1cc2c(cc1Br)CCC2 7a_200010659162_200000210301 [0,1,0,1,0,0|2,0,0]=4 7894 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [0,1,0,1,0,0|1,0,0]=3 7895 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [0,1,0,1,0,0|1,0,0]=3 7896 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [0,1,0,1,0,0|1,0,0]=3 7897 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [0,1,0,1,0,0|1,0,0]=3 7898 B13R2.599 COc1cc2c(cc1F)CCC2 34a_200000146645_200000210301 [0,1,0,1,0,0|2,0,0]=4 7899 B13R2.599 COc1cc2c(cc1F)CCC2 7a_200000146645_200000210301 [0,1,0,1,0,0|2,0,0]=4 7900 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,1,0,1,0,0|1,0,1]=4 7901 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,1,0,1,0,0|1,0,1]=4 7902 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,1,0,1,0,0|2,0,0]=4 7903 B13R2.599 CSc1cc2c(cc1N)OCO2 62a_100012557033_200000210301 [0,1,0,1,0,0|1,1,0]=4 7904 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200000210301_200010659162 [0,1,0,1,0,0|1,1,0]=4 7905 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200010659162_200000210301 [0,1,0,1,0,0|1,1,0]=4 7906 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 2230a_100000066439_200025704644 [0,1,0,1,0,0|2,0,0]=4 7907 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 34a_100000066439_200025704644 [0,1,0,1,0,0|2,0,0]=4 7908 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [0,1,0,1,0,0|1,0,0]=3 7909 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [0,1,0,1,0,0|1,0,0]=3 7910 B13R2.599 NCc1cc2c(cc1O)OCO2 271570a_203496583355_200011199097 [0,1,0,1,0,0|1,0,0]=3 7911 B13R2.599 O=Cc1cc2c(cc1O)OCO2 271570a_203496583355_100000186749 [0,1,0,1,0,0|0,0,2]=4 7912 B13R2.599 OCc1cc2c(cc1O)OCO2 271570a_203496583355_100000187691 [0,1,0,1,0,0|0,0,0]=2 7913 B13R2.599 [13CH3]Nc1cc2c(cc1Cl)OCO2 34a_100000234339_200025704644 [0,1,0,1,0,0|2,0,0]=4 7914 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 34a_200010659162_200025704644 [0,1,0,1,0,0|2,0,0]=4 7915 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 7a_200010659162_200025704644 [0,1,0,1,0,0|2,0,0]=4 7916 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [0,1,0,1,0,0|1,0,0]=3 7917 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [0,1,0,1,0,0|1,0,0]=3 7918 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 34a_200000146645_200025704644 [0,1,0,1,0,0|2,0,0]=4 7919 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 7a_200000146645_200025704644 [0,1,0,1,0,0|2,0,0]=4 7920 B13R2.599 [13CH3]Sc1cc2c(cc1N)OCO2 62a_100012557033_200025704644 [0,1,0,1,0,0|1,1,0]=4 7921 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200010659162_200025704644 [0,1,0,1,0,0|1,1,0]=4 7922 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200025704644_200010659162 [0,1,0,1,0,0|1,1,0]=4 7923 B13R2.654 O=Cc1cc(c2c(c1)OCO2)O 271570a_203496583355_100000682445 [0,1,0,1,0,0|0,0,2]=4 7924 B13R2.84 C=Cc1ccc2c(c1C)OCO2 271570a_100011290941_100010335860 [0,1,0,1,0,0|1,0,1]=4 7925 B13R2.84 C=Cc1ccc2c(c1F)OCO2 271570a_100011290941_100010223184 [0,1,0,1,0,0|1,0,1]=4 7926 B13R2.84 CSc1ccc2c(c1C)OCO2 62a_100010335860_200000210301 [0,1,0,1,0,0|2,0,0]=4 7927 B13R2.84 CSc1ccc2c(c1F)OCO2 62a_100010223184_200000210301 [0,1,0,1,0,0|2,0,0]=4 7928 B13R2.84 Cc1c(ccc2c1OCO2)S[13CH3] 62a_100010335860_200025704644 [0,1,0,1,0,0|2,0,0]=4 7929 B13R2.84 [13CH3]Sc1ccc2c(c1F)OCO2 62a_100010223184_200025704644 [0,1,0,1,0,0|2,0,0]=4 7930 B9R1.22 COc1nn(cc1O)C 271570a_203496583355_100015475556 [1,0,0,0,1,0|2,0,0]=4 7931 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [1,0,0,0,1,0|1,1,0]=4 7932 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [1,0,0,0,1,0|1,1,0]=4 7933 B9R1.14 CSc1cscc1CO 62a_100000724555_200000210301 [1,0,0,0,1,0|1,1,0]=4 7934 B9R1.14 CSc1cscc1CO 62a_200000210301_100000724555 [1,0,0,0,1,0|1,1,0]=4 7935 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [1,0,0,0,1,0|1,1,0]=4 7936 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [1,0,0,0,1,0|1,1,0]=4 7937 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [1,0,0,0,1,0|1,1,0]=4 7938 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [1,0,0,0,1,0|1,1,0]=4 7939 B9R1.14 [13CH3]Sc1cscc1CO 62a_100000724555_200025704644 [1,0,0,0,1,0|1,1,0]=4 7940 B9R1.14 [13CH3]Sc1cscc1CO 62a_200025704644_100000724555 [1,0,0,0,1,0|1,1,0]=4 7941 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [1,0,0,0,1,0|1,1,0]=4 7942 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [1,0,0,0,1,0|1,1,0]=4 7943 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [1,0,0,0,1,0|1,1,0]=4 7944 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [1,0,0,0,1,0|1,1,0]=4 7945 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [1,0,0,0,1,0|1,1,0]=4 7946 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [1,0,0,0,1,0|1,1,0]=4 7947 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [1,0,0,0,1,0|1,1,0]=4 7948 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [1,0,0,0,1,0|1,1,0]=4 7949 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [1,0,0,0,1,0|1,1,0]=4 7950 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [1,0,0,0,1,0|1,1,0]=4 7951 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [1,0,0,0,1,0|1,1,0]=4 7952 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [1,0,0,0,1,0|1,1,0]=4 7953 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [1,0,0,0,1,0|1,1,0]=4 7954 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [1,0,0,0,1,0|1,1,0]=4 7955 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [1,0,0,0,1,0|1,0,0]=3 7956 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [1,0,0,0,1,0|2,0,0]=4 7957 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,0,0,0,1,1|1,0,1]=4 7958 B11R1.265 C=Cc1nccc(c1OC)O 271570a_100011290941_100000104430 [0,0,0,0,1,1|1,0,1]=4 7959 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [0,0,0,0,1,1|2,0,0]=4 7960 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [0,0,0,0,1,1|2,0,0]=4 7961 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [0,0,0,0,1,1|2,0,0]=4 7962 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [0,0,0,0,1,1|2,0,0]=4 7963 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [0,0,0,0,1,1|2,0,0]=4 7964 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [0,0,0,0,1,1|2,0,0]=4 7965 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [0,0,0,0,1,1|2,0,0]=4 7966 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [0,0,0,0,1,1|2,0,0]=4 7967 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [0,0,0,0,1,1|1,0,1]=4 7968 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [0,0,0,0,1,1|1,0,1]=4 7969 B11R1.265 CNc1c(cccc1CO)C 34a_100011215590_200000210301 [0,0,0,0,1,1|2,0,0]=4 7970 B11R1.265 CNc1c(cccc1CO)Cl 34a_100012182729_200000210301 [0,0,0,0,1,1|2,0,0]=4 7971 B11R1.265 CNc1c(cccc1CO)F 34a_100000692437_200000210301 [0,0,0,0,1,1|2,0,0]=4 7972 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [0,0,0,0,1,1|1,0,1]=4 7973 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [0,0,0,0,1,1|0,0,2]=4 7974 B11R1.265 COc1c(cccc1CN)C 34a_100020639391_200000210301 [0,0,0,0,1,1|2,0,0]=4 7975 B11R1.265 COc1c(cccc1CO)F 34a_100011997349_200000210301 [0,0,0,0,1,1|1,0,0]=3 7976 B11R1.265 COc1c(cccc1CO)F 7a_100011997349_200000210301 [0,0,0,0,1,1|1,0,0]=3 7977 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [0,0,0,0,1,1|0,0,0]=2 7978 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [0,0,0,0,1,1|2,0,0]=4 7979 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [0,0,0,0,1,1|2,0,0]=4 7980 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [0,0,0,0,1,1|0,0,0]=2 7981 B11R1.265 COc1c(ccnc1O)C=O 271570a_203496583355_200009814792 [0,0,0,0,1,1|0,0,2]=4 7982 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [0,0,0,0,1,1|2,0,0]=4 7983 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [0,0,0,0,1,1|2,0,0]=4 7984 B11R1.265 COc1c(cncc1C#N)O 271570a_203496583355_100016142170 [0,0,0,0,1,1|1,0,1]=4 7985 B11R1.265 COc1c(cncc1C=O)O 271570a_203496583355_100015834815 [0,0,0,0,1,1|0,0,2]=4 7986 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [0,0,0,0,1,1|2,0,0]=4 7987 B11R1.265 CSc1c(cccc1CO)Br 62a_100010146604_200000210301 [0,0,0,0,1,1|1,1,0]=4 7988 B11R1.265 CSc1c(cccc1CO)Br 62a_200000210301_100010146604 [0,0,0,0,1,1|1,1,0]=4 7989 B11R1.265 CSc1c(cccc1CO)C 62a_100011659289_200000210301 [0,0,0,0,1,1|1,1,0]=4 7990 B11R1.265 CSc1c(cccc1CO)C 62a_200000210301_100011659289 [0,0,0,0,1,1|1,1,0]=4 7991 B11R1.265 CSc1c(cccc1CO)F 62a_100012351117_200000210301 [0,0,0,0,1,1|1,1,0]=4 7992 B11R1.265 CSc1c(cccc1CO)F 62a_200000210301_100012351117 [0,0,0,0,1,1|1,1,0]=4 7993 B11R1.265 Cc1cccc(c1N[13CH3])CO 34a_100011215590_200025704644 [0,0,0,0,1,1|2,0,0]=4 7994 B11R1.265 Cc1cccc(c1O[13CH3])CN 34a_100020639391_200025704644 [0,0,0,0,1,1|2,0,0]=4 7995 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_100011659289_200025704644 [0,0,0,0,1,1|1,1,0]=4 7996 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_200025704644_100011659289 [0,0,0,0,1,1|1,1,0]=4 7997 B11R1.265 [13CH3]Nc1c(cccc1CO)Cl 34a_100012182729_200025704644 [0,0,0,0,1,1|2,0,0]=4 7998 B11R1.265 [13CH3]Nc1c(cccc1CO)F 34a_100000692437_200025704644 [0,0,0,0,1,1|2,0,0]=4 7999 B11R1.265 [13CH3]Oc1c(cccc1CO)F 34a_100011997349_200025704644 [0,0,0,0,1,1|1,0,0]=3 8000 B11R1.265 [13CH3]Oc1c(cccc1CO)F 7a_100011997349_200025704644 [0,0,0,0,1,1|1,0,0]=3 8001 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_100010146604_200025704644 [0,0,0,0,1,1|1,1,0]=4 8002 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_200025704644_100010146604 [0,0,0,0,1,1|1,1,0]=4 8003 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_100012351117_200025704644 [0,0,0,0,1,1|1,1,0]=4 8004 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_200025704644_100012351117 [0,0,0,0,1,1|1,1,0]=4