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|2,0,1]=3 9 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.280 C=Cc1cc(c(nn1)N)OC 271570a_100011290941_100000688033 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [0,0,0,0,0,0|2,0,1]=3 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|1,0,1]=2 19 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [0,0,0,0,0,0|1,0,3]=4 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(cnc1N)C=O 271570a_100011290941_100010064899 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.280 C=Cc1cc(ncc1C)C=O 271570a_100011290941_100010174032 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.280 C=Cc1ccc(=O)n(c1)CC 271570a_100011290941_100000231005 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.280 C=Cc1ccc(c(c1)C#N)Br 271570a_100011290941_100012355174 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.280 C=Cc1ccc(c(c1)C#N)C 271570a_100011290941_100000698047 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.280 C=Cc1ccc(c(c1)C#N)Cl 271570a_100011290941_100011356831 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.280 C=Cc1ccc(c(c1)C#N)F 271570a_100011290941_100000037165 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.280 C=Cc1ccc(c(c1)C#N)N 271570a_100011290941_100000688460 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.280 C=Cc1ccc(c(c1)CN)F 271570a_100011290941_100009815772 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.280 C=Cc1ccc(c(c1)CN)N 271570a_100011290941_100012349119 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.280 C=Cc1ccc(c(c1)NN)F 271570a_100011290941_100020610843 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [0,0,0,0,0,0|1,0,0]=1 61 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [0,0,0,0,0,0|2,1,0]=3 62 B11R1.280 C=Cc1ccc(c(n1)CC)N 271570a_100011290941_100009871203 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [0,0,0,0,0,0|2,0,0]=2 65 B11R1.280 C=Cc1cnc(c(c1)C#N)O 271570a_100011290941_100000697733 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.280 C=Cc1cnc(c(c1)CO)O 271570a_100011290941_100010065268 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.280 C=Cc1cnc(c(c1)NC)N 271570a_100011290941_100010506235 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.280 C=Cc1cnc(c(n1)OC)N 271570a_100011290941_100009816943 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.280 C=Cc1ncc(c(n1)OC)C 271570a_100011290941_100012500371 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.280 C=Cc1ncc(c(n1)OC)F 271570a_100011290941_100012183945 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.280 C=Cc1ncc(c(n1)OC)N 271570a_100011290941_100012122185 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [0,0,0,0,0,0|2,0,1]=3 99 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [0,0,0,0,0,0|3,0,1]=4 104 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [0,0,0,0,0,0|3,0,1]=4 105 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [0,0,0,0,0,0|2,0,1]=3 106 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [0,0,0,0,0,0|2,0,1]=3 110 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [0,0,0,0,0,0|2,0,1]=3 111 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [0,0,0,0,0,0|2,0,1]=3 112 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [0,0,0,0,0,0|1,0,1]=2 113 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [0,0,0,0,0,0|2,0,1]=3 114 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [0,0,0,0,0,0|2,0,1]=3 115 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [0,0,0,0,0,0|2,1,1]=4 116 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [0,0,0,0,0,0|2,1,1]=4 117 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [0,0,0,0,0,0|2,1,1]=4 118 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [0,0,0,0,0,0|2,1,1]=4 119 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [0,0,0,0,0,0|1,1,1]=3 120 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [0,0,0,0,0,0|1,1,1]=3 121 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [0,0,0,0,0,0|2,1,1]=4 122 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [0,0,0,0,0,0|2,1,1]=4 123 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [0,0,0,0,0,0|2,1,1]=4 124 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [0,0,0,0,0,0|2,1,1]=4 125 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [0,0,0,0,0,0|1,1,1]=3 126 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [0,0,0,0,0,0|1,1,1]=3 127 B11R1.280 CNc1cc(ccc1Br)C#N 34a_100012001879_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.280 CNc1cc(ccc1Br)C#N 7a_100012001879_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [0,0,0,0,0,0|2,0,2]=4 130 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.280 CNc1cc(ccc1C)C#N 34a_100000748024_200000210301 [0,0,0,0,0,0|3,0,1]=4 132 B11R1.280 CNc1cc(ccc1C)C#N 7a_100000748024_200000210301 [0,0,0,0,0,0|3,0,1]=4 133 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [0,0,0,0,0,0|2,0,2]=4 134 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [0,0,0,0,0,0|2,0,2]=4 135 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.280 CNc1cc(ccc1Cl)C#N 34a_100000766345_200000210301 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.280 CNc1cc(ccc1Cl)C#N 7a_100000766345_200000210301 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [0,0,0,0,0,0|2,0,2]=4 144 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [0,0,0,0,0,0|4,0,0]=4 145 B11R1.280 CNc1cc(ccc1F)C#N 34a_100011934650_200000210301 [0,0,0,0,0,0|3,0,1]=4 146 B11R1.280 CNc1cc(ccc1F)C#N 7a_100011934650_200000210301 [0,0,0,0,0,0|3,0,1]=4 147 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [0,0,0,0,0,0|2,0,2]=4 148 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [0,0,0,0,0,0|2,0,2]=4 149 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.280 CNc1cc(ccc1F)SC 62a_100011314990_200000210301 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.280 CNc1cc(ccc1F)SC 62a_200000210301_100011314990 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_100011314990_200025704644 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_200025704644_100011314990 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.280 CNc1cc(ccc1I)C#N 34a_200012349464_200000210301 [0,0,0,0,0,0|3,0,1]=4 155 B11R1.280 CNc1cc(ccc1I)C#N 7a_200012349464_200000210301 [0,0,0,0,0,0|3,0,1]=4 156 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.280 CNc1cc(ccc1N)SC 62a_100000694363_200000210301 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.280 CNc1cc(ccc1N)S[13CH3] 62a_100000694363_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [0,0,0,0,0,0|2,0,1]=3 160 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [0,0,0,0,0,0|2,0,1]=3 161 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [0,0,0,0,0,0|1,0,2]=3 162 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [0,0,0,0,0,0|4,0,0]=4 164 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [0,0,0,0,0,0|3,0,0]=3 169 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [0,0,0,0,0,0|3,0,0]=3 170 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [0,0,0,0,0,0|3,0,0]=3 171 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [0,0,0,0,0,0|3,0,0]=3 172 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [0,0,0,0,0,0|3,0,0]=3 173 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [0,0,0,0,0,0|2,0,0]=2 174 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [0,0,0,0,0,0|3,1,0]=4 175 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [0,0,0,0,0,0|3,1,0]=4 176 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [0,0,0,0,0,0|3,1,0]=4 178 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [0,0,0,0,0,0|3,0,0]=3 181 B11R1.280 COc1cc(c[nH]c1=O)SC 62a_200000210301_100010125397 [0,0,0,0,0,0|3,0,1]=4 182 B11R1.280 COc1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100010125397 [0,0,0,0,0,0|3,0,1]=4 183 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [0,0,0,0,0,0|2,0,1]=3 184 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [0,0,0,0,0,0|2,0,1]=3 185 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [0,0,0,0,0,0|1,0,2]=3 186 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [0,0,0,0,0,0|1,0,2]=3 187 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [0,0,0,0,0,0|3,0,0]=3 190 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [0,0,0,0,0,0|3,0,0]=3 191 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [0,0,0,0,0,0|3,0,0]=3 192 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [0,0,0,0,0,0|3,0,0]=3 193 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [0,0,0,0,0,0|3,0,0]=3 195 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [0,0,0,0,0,0|2,0,1]=3 196 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [0,0,0,0,0,0|2,0,1]=3 197 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [0,0,0,0,0,0|3,0,0]=3 198 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [0,0,0,0,0,0|3,0,0]=3 199 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [0,0,0,0,0,0|3,0,0]=3 201 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [0,0,0,0,0,0|3,0,0]=3 202 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [0,0,0,0,0,0|3,0,0]=3 203 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [0,0,0,0,0,0|3,0,0]=3 204 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [0,0,0,0,0,0|3,0,0]=3 205 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [0,0,0,0,0,0|2,0,1]=3 206 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [0,0,0,0,0,0|2,0,1]=3 207 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [0,0,0,0,0,0|2,0,1]=3 208 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [0,0,0,0,0,0|1,0,2]=3 209 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [0,0,0,0,0,0|1,0,2]=3 210 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [0,0,0,0,0,0|3,0,0]=3 211 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [0,0,0,0,0,0|3,0,0]=3 212 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [0,0,0,0,0,0|3,0,0]=3 213 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [0,0,0,0,0,0|3,0,0]=3 214 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [0,0,0,0,0,0|3,0,0]=3 215 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [0,0,0,0,0,0|3,0,0]=3 216 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [0,0,0,0,0,0|3,0,0]=3 217 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [0,0,0,0,0,0|2,0,1]=3 219 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [0,0,0,0,0,0|2,0,1]=3 220 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [0,0,0,0,0,0|2,0,1]=3 221 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [0,0,0,0,0,0|1,0,2]=3 222 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [0,0,0,0,0,0|1,0,2]=3 223 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [0,0,0,0,0,0|3,0,0]=3 224 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [0,0,0,0,0,0|3,0,0]=3 225 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [0,0,0,0,0,0|3,0,0]=3 226 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [0,0,0,0,0,0|3,0,0]=3 229 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [0,0,0,0,0,0|3,0,0]=3 230 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [0,0,0,0,0,0|2,0,1]=3 232 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [0,0,0,0,0,0|2,0,1]=3 233 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [0,0,0,0,0,0|1,0,2]=3 234 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [0,0,0,0,0,0|1,0,2]=3 235 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [0,0,0,0,0,0|3,0,0]=3 236 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [0,0,0,0,0,0|2,0,1]=3 237 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [0,0,0,0,0,0|2,0,1]=3 238 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [0,0,0,0,0,0|3,0,0]=3 239 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [0,0,0,0,0,0|3,0,0]=3 240 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [0,0,0,0,0,0|3,0,0]=3 241 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [0,0,0,0,0,0|3,0,0]=3 242 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [0,0,0,0,0,0|3,0,0]=3 243 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [0,0,0,0,0,0|3,0,0]=3 244 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [0,0,0,0,0,0|1,0,1]=2 245 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [0,0,0,0,0,0|0,0,0]=0 246 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [0,0,0,0,0,0|0,0,2]=2 247 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [0,0,0,0,0,0|2,0,0]=2 248 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [0,0,0,0,0,0|2,0,0]=2 249 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [0,0,0,0,0,0|2,0,0]=2 250 B11R1.280 COc1cc(cnc1C)SC 62a_100010254219_200000210301 [0,0,0,0,0,0|4,0,0]=4 251 B11R1.280 COc1cc(cnc1C)SC 62a_200000210301_100010254219 [0,0,0,0,0,0|4,0,0]=4 252 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_100010254219_200025704644 [0,0,0,0,0,0|4,0,0]=4 253 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_200025704644_100010254219 [0,0,0,0,0,0|4,0,0]=4 254 B11R1.280 COc1cc(cnc1F)SC 62a_100010214931_200000210301 [0,0,0,0,0,0|4,0,0]=4 255 B11R1.280 COc1cc(cnc1F)SC 62a_200000210301_100010214931 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_100010214931_200025704644 [0,0,0,0,0,0|4,0,0]=4 257 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_200025704644_100010214931 [0,0,0,0,0,0|4,0,0]=4 258 B11R1.280 COc1cc(cnc1N)SC 62a_106354213024_200000210301 [0,0,0,0,0,0|4,0,0]=4 259 B11R1.280 COc1cc(cnc1N)SC 62a_200000210301_106354213024 [0,0,0,0,0,0|4,0,0]=4 260 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_106354213024_200025704644 [0,0,0,0,0,0|4,0,0]=4 261 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_200025704644_106354213024 [0,0,0,0,0,0|4,0,0]=4 262 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [0,0,0,0,0,0|2,0,1]=3 263 B11R1.280 COc1cc(ncc1C)SC 62a_100010067687_200000210301 [0,0,0,0,0,0|4,0,0]=4 264 B11R1.280 COc1cc(ncc1C)SC 62a_200000210301_100010067687 [0,0,0,0,0,0|4,0,0]=4 265 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_100010067687_200025704644 [0,0,0,0,0,0|4,0,0]=4 266 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_200025704644_100010067687 [0,0,0,0,0,0|4,0,0]=4 267 B11R1.280 COc1cc(ncc1F)SC 62a_200000210301_200010136270 [0,0,0,0,0,0|4,0,0]=4 268 B11R1.280 COc1cc(ncc1F)SC 62a_200010136270_200000210301 [0,0,0,0,0,0|4,0,0]=4 269 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200010136270_200025704644 [0,0,0,0,0,0|4,0,0]=4 270 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200025704644_200010136270 [0,0,0,0,0,0|4,0,0]=4 271 B11R1.280 COc1cc(ncc1N)SC 62a_100009887741_200000210301 [0,0,0,0,0,0|4,0,0]=4 272 B11R1.280 COc1cc(ncc1N)SC 62a_200000210301_100009887741 [0,0,0,0,0,0|4,0,0]=4 273 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_100009887741_200025704644 [0,0,0,0,0,0|4,0,0]=4 274 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_200025704644_100009887741 [0,0,0,0,0,0|4,0,0]=4 275 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [0,0,0,0,0,0|2,0,1]=3 276 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [0,0,0,0,0,0|1,0,2]=3 277 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [0,0,0,0,0,0|4,0,0]=4 278 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [0,0,0,0,0,0|4,0,0]=4 279 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [0,0,0,0,0,0|4,0,0]=4 280 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [0,0,0,0,0,0|4,0,0]=4 281 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [0,0,0,0,0,0|4,0,0]=4 282 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [0,0,0,0,0,0|4,0,0]=4 283 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [0,0,0,0,0,0|4,0,0]=4 284 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [0,0,0,0,0,0|4,0,0]=4 285 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [0,0,0,0,0,0|4,0,0]=4 286 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [0,0,0,0,0,0|4,0,0]=4 287 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [0,0,0,0,0,0|3,0,0]=3 288 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [0,0,0,0,0,0|3,0,0]=3 289 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [0,0,0,0,0,0|3,0,0]=3 290 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [0,0,0,0,0,0|3,0,0]=3 291 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [0,0,0,0,0,0|3,0,0]=3 292 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [0,0,0,0,0,0|3,0,0]=3 293 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [0,0,0,0,0,0|3,0,0]=3 294 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [0,0,0,0,0,0|3,0,0]=3 295 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [0,0,0,0,0,0|3,0,0]=3 296 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [0,0,0,0,0,0|3,0,0]=3 297 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [0,0,0,0,0,0|3,0,0]=3 298 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [0,0,0,0,0,0|3,0,0]=3 299 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [0,0,0,0,0,0|3,0,0]=3 300 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [0,0,0,0,0,0|3,0,0]=3 301 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [0,0,0,0,0,0|3,0,0]=3 302 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [0,0,0,0,0,0|3,0,0]=3 303 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [0,0,0,0,0,0|3,0,0]=3 304 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [0,0,0,0,0,0|3,0,0]=3 305 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [0,0,0,0,0,0|3,0,0]=3 306 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [0,0,0,0,0,0|3,0,0]=3 307 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [0,0,0,0,0,0|3,0,0]=3 308 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [0,0,0,0,0,0|3,0,0]=3 309 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [0,0,0,0,0,0|3,0,0]=3 310 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [0,0,0,0,0,0|2,0,0]=2 311 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [0,0,0,0,0,0|3,0,0]=3 312 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [0,0,0,0,0,0|3,0,0]=3 313 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [0,0,0,0,0,0|3,0,0]=3 314 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [0,0,0,0,0,0|3,0,0]=3 315 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [0,0,0,0,0,0|3,0,0]=3 316 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [0,0,0,0,0,0|3,0,0]=3 317 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [0,0,0,0,0,0|3,0,0]=3 318 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [0,0,0,0,0,0|3,0,0]=3 319 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [0,0,0,0,0,0|3,0,0]=3 320 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [0,0,0,0,0,0|3,0,0]=3 321 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [0,0,0,0,0,0|3,0,0]=3 322 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [0,0,0,0,0,0|3,0,0]=3 323 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [0,0,0,0,0,0|3,1,0]=4 324 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [0,0,0,0,0,0|3,1,0]=4 325 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [0,0,0,0,0,0|3,1,0]=4 326 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [0,0,0,0,0,0|3,1,0]=4 327 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [0,0,0,0,0,0|3,1,0]=4 328 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [0,0,0,0,0,0|3,1,0]=4 329 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [0,0,0,0,0,0|3,1,0]=4 330 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [0,0,0,0,0,0|3,1,0]=4 331 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [0,0,0,0,0,0|3,1,0]=4 332 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [0,0,0,0,0,0|3,1,0]=4 333 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [0,0,0,0,0,0|2,1,0]=3 334 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [0,0,0,0,0,0|3,1,0]=4 335 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [0,0,0,0,0,0|3,1,0]=4 336 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [0,0,0,0,0,0|3,1,0]=4 337 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [0,0,0,0,0,0|3,1,0]=4 338 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [0,0,0,0,0,0|3,1,0]=4 339 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [0,0,0,0,0,0|3,1,0]=4 340 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [0,0,0,0,0,0|3,1,0]=4 341 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [0,0,0,0,0,0|3,1,0]=4 342 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [0,0,0,0,0,0|3,1,0]=4 343 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [0,0,0,0,0,0|3,1,0]=4 344 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [0,0,0,0,0,0|2,1,0]=3 345 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [0,0,0,0,0,0|3,0,0]=3 346 B11R1.280 COc1nc(ccc1N)SC 62a_100000687816_200000210301 [0,0,0,0,0,0|4,0,0]=4 347 B11R1.280 COc1nc(ccc1N)SC 62a_200000210301_100000687816 [0,0,0,0,0,0|4,0,0]=4 348 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_100000687816_200025704644 [0,0,0,0,0,0|4,0,0]=4 349 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_200025704644_100000687816 [0,0,0,0,0,0|4,0,0]=4 350 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [0,0,0,0,0,0|3,0,0]=3 351 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [0,0,0,0,0,0|3,0,0]=3 352 B11R1.280 COc1nc(cnc1O)SC 62a_200000210301_200010365344 [0,0,0,0,0,0|4,0,0]=4 353 B11R1.280 COc1nc(cnc1O)SC 62a_200010365344_200000210301 [0,0,0,0,0,0|4,0,0]=4 354 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200010365344_200025704644 [0,0,0,0,0,0|4,0,0]=4 355 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200025704644_200010365344 [0,0,0,0,0,0|4,0,0]=4 356 B11R1.280 COc1nc(ncc1O)SC 271570a_203496583355_200011934731 [0,0,0,0,0,0|4,0,0]=4 357 B11R1.280 COc1ncc(c(n1)OC)O 271570a_203496583355_100011215025 [0,0,0,0,0,0|4,0,0]=4 358 B11R1.280 CSc1cc(ccc1Br)C#N 62a_200000210301_100012349583 [0,0,0,0,0,0|2,1,1]=4 359 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [0,0,0,0,0,0|1,1,0]=2 360 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [0,0,0,0,0,0|1,1,0]=2 361 B11R1.280 CSc1cc(ccc1C)C#N 62a_200000210301_100000690169 [0,0,0,0,0,0|2,1,1]=4 362 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [0,0,0,0,0,0|1,1,0]=2 363 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [0,0,0,0,0,0|1,1,0]=2 364 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [0,0,0,0,0,0|1,1,2]=4 365 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [0,0,0,0,0,0|1,1,2]=4 366 B11R1.280 CSc1cc(ccc1C)NN 62a_100016991967_200000210301 [0,0,0,0,0,0|3,1,0]=4 367 B11R1.280 CSc1cc(ccc1C)NN 62a_200000210301_100016991967 [0,0,0,0,0,0|3,1,0]=4 368 B11R1.280 CSc1cc(ccc1Cl)C#N 62a_200000210301_100010199462 [0,0,0,0,0,0|2,1,1]=4 369 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [0,0,0,0,0,0|1,1,0]=2 370 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [0,0,0,0,0,0|1,1,0]=2 371 B11R1.280 CSc1cc(ccc1F)C#N 62a_200000210301_100000188605 [0,0,0,0,0,0|2,1,1]=4 372 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [0,0,0,0,0,0|1,1,0]=2 373 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [0,0,0,0,0,0|1,1,0]=2 374 B11R1.280 CSc1cc(ccc1F)CN 62a_100015193890_200000210301 [0,0,0,0,0,0|2,1,1]=4 375 B11R1.280 CSc1cc(ccc1F)CN 62a_200000210301_100015193890 [0,0,0,0,0,0|2,1,1]=4 376 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [0,0,0,0,0,0|1,1,2]=4 377 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [0,0,0,0,0,0|1,1,2]=4 378 B11R1.280 CSc1cc(ccc1F)NN 62a_200000210301_200025705588 [0,0,0,0,0,0|3,1,0]=4 379 B11R1.280 CSc1cc(ccc1F)NN 62a_200025705588_200000210301 [0,0,0,0,0,0|3,1,0]=4 380 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_100010341305_200025704644 [0,0,0,0,0,0|3,1,0]=4 381 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_200025704644_100010341305 [0,0,0,0,0,0|3,1,0]=4 382 B11R1.280 CSc1cc(ccc1N)C#N 62a_200000210301_100000736769 [0,0,0,0,0,0|2,1,1]=4 383 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [0,0,0,0,0,0|1,1,1]=3 384 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [0,0,0,0,0,0|0,1,0]=1 385 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [0,0,0,0,0,0|0,1,0]=1 386 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [0,0,0,0,0,0|0,1,2]=3 387 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [0,0,0,0,0,0|0,1,2]=3 388 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [0,0,0,0,0,0|2,1,0]=3 389 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [0,0,0,0,0,0|2,1,0]=3 390 B11R1.280 CSc1cc(cnc1O)C#N 62a_200000210301_100009819929 [0,0,0,0,0,0|2,1,1]=4 391 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [0,0,0,0,0,0|1,1,0]=2 392 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [0,0,0,0,0,0|1,1,0]=2 393 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [0,0,0,0,0,0|2,1,0]=3 394 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [0,0,0,0,0,0|2,1,0]=3 395 B11R1.280 CSc1ccc(c(c1)C#N)O 62a_200000210301_100000687585 [0,0,0,0,0,0|4,0,0]=4 396 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [0,0,0,0,0,0|4,0,0]=4 397 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [0,0,0,0,0,0|4,0,0]=4 398 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [0,0,0,0,0,0|4,0,0]=4 399 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [0,0,0,0,0,0|4,0,0]=4 400 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [0,0,0,0,0,0|4,0,0]=4 401 B11R1.280 CSc1ccc(c(c1)SC)F 62a_100010341305_200000210301 [0,0,0,0,0,0|3,1,0]=4 402 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_100010341305 [0,0,0,0,0,0|3,1,0]=4 403 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_200010708804 [0,0,0,0,0,0|3,1,0]=4 404 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200010708804_200000210301 [0,0,0,0,0,0|3,1,0]=4 405 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200010708804_200025704644 [0,0,0,0,0,0|3,1,0]=4 406 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010708804 [0,0,0,0,0,0|3,1,0]=4 407 B11R1.280 CSc1nc(ccc1O)CO 62a_200000210301_200000118097 [0,0,0,0,0,0|1,1,2]=4 408 B11R1.280 CSc1nc(ccc1O)CO 62a_200009817064_200000210301 [0,0,0,0,0,0|1,1,2]=4 409 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 34a_100000748024_200025704644 [0,0,0,0,0,0|3,0,1]=4 410 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 7a_100000748024_200025704644 [0,0,0,0,0,0|3,0,1]=4 411 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [0,0,0,0,0,0|2,0,2]=4 412 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [0,0,0,0,0,0|2,0,2]=4 413 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [0,0,0,0,0,0|2,0,1]=3 414 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [0,0,0,0,0,0|2,0,1]=3 415 B11R1.280 Cc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000690169 [0,0,0,0,0,0|2,1,1]=4 416 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [0,0,0,0,0,0|1,1,0]=2 417 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [0,0,0,0,0,0|1,1,0]=2 418 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [0,0,0,0,0,0|1,1,2]=4 419 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [0,0,0,0,0,0|1,1,2]=4 420 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_100016991967_200025704644 [0,0,0,0,0,0|3,1,0]=4 421 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_200025704644_100016991967 [0,0,0,0,0,0|3,1,0]=4 422 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [0,0,0,0,0,0|2,1,0]=3 423 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [0,0,0,0,0,0|2,1,0]=3 424 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [0,0,0,0,0,0|2,0,0]=2 425 B11R1.280 N#Cc1cc(ccc1O)CN 271570a_203496583355_100009846983 [0,0,0,0,0,0|3,0,1]=4 426 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [0,0,0,0,0,0|2,0,2]=4 427 B11R1.280 N#Cc1ccc(c(c1)C#N)O 271570a_203496583355_100009995534 [0,0,0,0,0,0|3,0,1]=4 428 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [0,0,0,0,0,0|3,0,1]=4 429 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [0,0,0,0,0,0|3,0,1]=4 430 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [0,0,0,0,0,0|2,0,0]=2 431 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 34a_100012001879_200025704644 [0,0,0,0,0,0|3,0,1]=4 432 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 7a_100012001879_200025704644 [0,0,0,0,0,0|3,0,1]=4 433 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [0,0,0,0,0,0|2,0,2]=4 434 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 34a_100000766345_200025704644 [0,0,0,0,0,0|3,0,1]=4 435 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 7a_100000766345_200025704644 [0,0,0,0,0,0|3,0,1]=4 436 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [0,0,0,0,0,0|2,0,2]=4 437 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 34a_100011934650_200025704644 [0,0,0,0,0,0|3,0,1]=4 438 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 7a_100011934650_200025704644 [0,0,0,0,0,0|3,0,1]=4 439 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [0,0,0,0,0,0|2,0,2]=4 440 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [0,0,0,0,0,0|2,0,2]=4 441 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 34a_200012349464_200025704644 [0,0,0,0,0,0|3,0,1]=4 442 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 7a_200012349464_200025704644 [0,0,0,0,0,0|3,0,1]=4 443 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [0,0,0,0,0,0|2,0,1]=3 444 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [0,0,0,0,0,0|2,0,1]=3 445 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [0,0,0,0,0,0|1,0,2]=3 446 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [0,0,0,0,0,0|4,0,0]=4 447 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [0,0,0,0,0,0|2,0,1]=3 448 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [0,0,0,0,0,0|2,0,1]=3 449 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [0,0,0,0,0,0|1,0,2]=3 450 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [0,0,0,0,0,0|1,0,2]=3 451 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [0,0,0,0,0,0|2,0,1]=3 452 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [0,0,0,0,0,0|2,0,1]=3 453 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [0,0,0,0,0,0|2,0,1]=3 454 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [0,0,0,0,0,0|1,0,2]=3 455 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [0,0,0,0,0,0|1,0,2]=3 456 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [0,0,0,0,0,0|2,0,1]=3 457 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [0,0,0,0,0,0|2,0,1]=3 458 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [0,0,0,0,0,0|2,0,1]=3 459 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [0,0,0,0,0,0|1,0,2]=3 460 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [0,0,0,0,0,0|1,0,2]=3 461 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [0,0,0,0,0,0|2,0,1]=3 462 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [0,0,0,0,0,0|2,0,1]=3 463 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [0,0,0,0,0,0|1,0,2]=3 464 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [0,0,0,0,0,0|1,0,2]=3 465 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [0,0,0,0,0,0|2,0,1]=3 466 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [0,0,0,0,0,0|2,0,1]=3 467 B11R1.280 [13CH3]Sc1cc(ccc1Br)C#N 62a_200025704644_100012349583 [0,0,0,0,0,0|2,1,1]=4 468 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [0,0,0,0,0,0|1,1,0]=2 469 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [0,0,0,0,0,0|1,1,0]=2 470 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C#N 62a_200025704644_100010199462 [0,0,0,0,0,0|2,1,1]=4 471 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [0,0,0,0,0,0|1,1,0]=2 472 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [0,0,0,0,0,0|1,1,0]=2 473 B11R1.280 [13CH3]Sc1cc(ccc1F)C#N 62a_200025704644_100000188605 [0,0,0,0,0,0|2,1,1]=4 474 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [0,0,0,0,0,0|1,1,0]=2 475 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [0,0,0,0,0,0|1,1,0]=2 476 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_100015193890_200025704644 [0,0,0,0,0,0|2,1,1]=4 477 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_200025704644_100015193890 [0,0,0,0,0,0|2,1,1]=4 478 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [0,0,0,0,0,0|1,1,2]=4 479 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [0,0,0,0,0,0|1,1,2]=4 480 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025704644_200025705588 [0,0,0,0,0,0|3,1,0]=4 481 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025705588_200025704644 [0,0,0,0,0,0|3,1,0]=4 482 B11R1.280 [13CH3]Sc1cc(ccc1N)C#N 62a_200025704644_100000736769 [0,0,0,0,0,0|2,1,1]=4 483 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [0,0,0,0,0,0|1,1,1]=3 484 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [0,0,0,0,0,0|0,1,0]=1 485 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [0,0,0,0,0,0|0,1,0]=1 486 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [0,0,0,0,0,0|0,1,2]=3 487 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [0,0,0,0,0,0|0,1,2]=3 488 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [0,0,0,0,0,0|2,1,0]=3 489 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [0,0,0,0,0,0|2,1,0]=3 490 B11R1.280 [13CH3]Sc1cc(cnc1O)C#N 62a_200025704644_100009819929 [0,0,0,0,0,0|2,1,1]=4 491 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [0,0,0,0,0,0|1,1,0]=2 492 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [0,0,0,0,0,0|1,1,0]=2 493 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)O 62a_200025704644_100000687585 [0,0,0,0,0,0|4,0,0]=4 494 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [0,0,0,0,0,0|4,0,0]=4 495 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [0,0,0,0,0,0|4,0,0]=4 496 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [0,0,0,0,0,0|4,0,0]=4 497 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [0,0,0,0,0,0|4,0,0]=4 498 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [0,0,0,0,0,0|4,0,0]=4 499 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200009817064_200025704644 [0,0,0,0,0,0|1,1,2]=4 500 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200025704644_200000118097 [0,0,0,0,0,0|1,1,2]=4 501 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,0,0,0,0,0|2,0,1]=4 502 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,0,0,0,0,0|1,0,2]=4 503 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,0,0,0,0,0|2,0,1]=4 504 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,0,0,0,0,0|2,0,1]=4 505 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,0,0,0,0,0|2,0,1]=4 506 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,0,0,0,0,0|1,0,2]=4 507 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,0,0,0,0,0|2,0,1]=4 508 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,0,0,0,0,0|2,0,1]=4 509 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,0,0,0,0,0|2,0,1]=4 510 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,0,0,0,0,0|2,0,0]=3 511 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,0,0,0,0,0|2,0,0]=3 512 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,0,0,0,0,0|1,0,1]=3 513 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,0,0,0,0,0|3,0,0]=4 514 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,0,0,0,0,0|2,0,1]=4 515 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,0,0,0,0,0|3,0,0]=4 516 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,0,0,0,0,0|3,0,0]=4 517 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,0,0,0,0,0|2,0,1]=4 518 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,0,0,0,0,0|3,0,0]=4 519 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,0,0,0,0,0|3,0,0]=4 520 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 522 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,0,0,0,0,0|2,0,1]=4 529 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,0,0,0,0,0|2,0,1]=4 530 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,0,0,0,0,0|3,0,0]=4 531 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,0,0,0,0,0|2,0,1]=4 532 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,0,0,0,0,0|3,0,0]=4 533 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,0,0,0,0,0|3,0,0]=4 534 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,0,0,0,0,0|3,0,0]=4 535 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,0,0,0,0,0|2,0,1]=4 536 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,0,0,0,0,0|3,0,0]=4 537 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,0,0,0,0,0|2,0,1]=4 538 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,0,0,0,0,0|3,0,0]=4 541 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,0,0,0,0,0|2,0,1]=4 542 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,0,0,0,0,0|2,0,1]=4 543 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,0,0,0,0,0|2,0,1]=4 545 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,0,0,0,0,0|3,0,0]=4 546 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,0,0,0,0,0|2,0,1]=4 548 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,0,0,0,0,0|2,0,0]=3 549 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,0,0,0,0,0|1,0,1]=3 550 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,0,0,0,0|2,0,0]=3 551 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,0,0,0,0,0|2,0,0]=3 552 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,0,0,0,0,0|2,0,0]=3 553 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,0,0,0,0,0|2,0,0]=3 554 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [1,0,0,0,0,0|1,0,2]=4 555 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,0,0,0,0,0|2,0,0]=3 556 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,0,0,0,0,0|2,0,0]=3 557 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,0,0,0,0,0|1,0,1]=3 558 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,0,0,0,0,0|1,0,1]=3 559 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,0,0,0,0,0|2,0,0]=3 560 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,0,0,0,0,0|2,0,0]=3 561 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,0,0,0,0,0|2,0,0]=3 562 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,0,0,0,0,0|2,0,0]=3 563 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,0,0,0,0,0|2,0,0]=3 564 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,0,0,0,0,0|2,0,0]=3 565 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,0,0,0,0,0|1,0,1]=3 566 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,0,0,0,0,0|2,0,0]=3 567 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,0,0,0,0,0|2,0,0]=3 568 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,0,0,0,0,0|1,0,1]=3 569 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,0,0,0,0,0|1,0,1]=3 570 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,0,0,0,0,0|2,0,0]=3 571 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,0,0,0,0,0|2,0,0]=3 572 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,0,0,0,0,0|2,0,0]=3 573 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,0,0,0,0,0|2,0,0]=3 574 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,0,0,0,0,0|2,0,0]=3 576 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,0,0,0,0,0|2,0,0]=3 577 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,0,0,0,0,0|1,0,1]=3 578 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,0,0,0,0,0|2,0,0]=3 579 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,0,0,0,0,0|2,0,0]=3 580 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,0,0,0,0,0|1,0,1]=3 581 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,0,0,0,0,0|1,0,1]=3 582 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,0,0,0,0,0|2,0,0]=3 583 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,0,0,0,0,0|2,0,0]=3 584 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,0,0,0,0,0|2,0,0]=3 585 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,0,0,0,0,0|2,0,0]=3 586 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,0,0,0,0,0|2,0,0]=3 587 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,0,0,0,0,0|2,0,0]=3 588 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,0,0,0,0,0|2,0,0]=3 589 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,0,0,0,0,0|1,0,1]=3 590 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,0,0,0,0,0|2,0,0]=3 591 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,0,0,0,0,0|2,0,0]=3 592 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,0,0,0,0,0|1,0,1]=3 593 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,0,0,0,0,0|1,0,1]=3 594 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,0,0,0,0,0|2,0,0]=3 595 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,0,0,0,0,0|2,0,0]=3 596 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,0,0,0,0,0|2,0,0]=3 597 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,0,0,0,0,0|2,0,0]=3 598 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,0,0,0,0,0|2,0,0]=3 599 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,0,0,0,0,0|2,0,0]=3 600 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 601 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,0,0,0,0,0|2,0,0]=3 602 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,0,0,0,0,0|1,0,1]=3 603 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,0,0,0,0,0|2,0,0]=3 604 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,0,0,0,0,0|2,0,0]=3 605 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,0,0,0,0,0|2,0,0]=3 606 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,0,0,0,0,0|2,0,0]=3 607 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,0,0,0,0,0|2,0,0]=3 608 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,0,0,0,0,0|2,0,0]=3 609 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,0,0,0,0,0|2,0,0]=3 610 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,0,0,0,0,0|2,0,0]=3 611 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,0,0,0,0,0|1,0,1]=3 612 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,0,0,0,0,0|1,0,1]=3 613 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,0,0,0,0,0|2,0,0]=3 614 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,0,0,0,0,0|2,0,0]=3 615 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,0,0,0,0,0|2,0,0]=3 616 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,0,0,0,0,0|2,0,0]=3 617 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,0,0,0,0,0|2,0,0]=3 618 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,0,0,0,0,0|2,0,0]=3 619 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,0,0,0,0,0|2,0,0]=3 620 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,0,0,0,0,0|1,0,1]=3 621 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,0,0,0,0|1,0,0]=2 622 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,0,0,0,0|0,0,1]=2 623 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,0,0,0,0|1,0,0]=2 624 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,0,0,0,0|1,0,0]=2 625 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,0,0,0,0|1,0,0]=2 626 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,0,0,0,0|0,0,1]=2 627 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,0,0,0,0|0,0,1]=2 628 B10R1.30 COc1cc(cnc1Br)Cl 34a_100000697010_200000210301 [1,0,0,0,0,0|3,0,0]=4 629 B10R1.30 COc1cc(cnc1Br)Cl 7a_100000697010_200000210301 [1,0,0,0,0,0|3,0,0]=4 630 B10R1.30 COc1cc(cnc1Br)F 34a_100009820119_200000210301 [1,0,0,0,0,0|3,0,0]=4 631 B10R1.30 COc1cc(cnc1Br)F 7a_100009820119_200000210301 [1,0,0,0,0,0|3,0,0]=4 632 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,0,0,0,0,0|3,0,0]=4 633 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,0,0,0,0,0|3,0,0]=4 634 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,0,0,0,0,0|2,0,1]=4 635 B10R1.30 COc1cc(cnc1Cl)Br 34a_100012354860_200000210301 [1,0,0,0,0,0|3,0,0]=4 636 B10R1.30 COc1cc(cnc1Cl)Br 7a_100012354860_200000210301 [1,0,0,0,0,0|3,0,0]=4 637 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,0,0,0,0,0|2,0,1]=4 638 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,0,0,0,0,0|2,0,1]=4 639 B10R1.30 COc1cc(cnc1Cl)F 34a_100000079967_200000210301 [1,0,0,0,0,0|3,0,0]=4 640 B10R1.30 COc1cc(cnc1Cl)F 7a_100000079967_200000210301 [1,0,0,0,0,0|3,0,0]=4 641 B10R1.30 COc1cc(cnc1F)Br 34a_100009819871_200000210301 [1,0,0,0,0,0|3,0,0]=4 642 B10R1.30 COc1cc(cnc1F)Br 7a_100009819871_200000210301 [1,0,0,0,0,0|3,0,0]=4 643 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,0,0,0,0,0|2,0,1]=4 644 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,0,0,0,0,0|2,0,1]=4 645 B10R1.30 COc1cc(cnc1F)Cl 34a_100000094372_200000210301 [1,0,0,0,0,0|3,0,0]=4 646 B10R1.30 COc1cc(cnc1F)Cl 7a_100000094372_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [1,0,0,0,0,0|2,0,1]=4 648 B10R1.30 COc1cc(cnc1I)Br 34a_100010210634_200000210301 [1,0,0,0,0,0|3,0,0]=4 649 B10R1.30 COc1cc(cnc1I)Br 7a_100010210634_200000210301 [1,0,0,0,0,0|3,0,0]=4 650 B10R1.30 COc1cc(cnc1I)Cl 34a_100010233512_200000210301 [1,0,0,0,0,0|3,0,0]=4 651 B10R1.30 COc1cc(cnc1I)Cl 7a_100010233512_200000210301 [1,0,0,0,0,0|3,0,0]=4 652 B10R1.30 COc1cc(cnc1I)F 34a_100015624800_200000210301 [1,0,0,0,0,0|3,0,0]=4 653 B10R1.30 COc1cc(cnc1I)F 7a_100015624800_200000210301 [1,0,0,0,0,0|3,0,0]=4 654 B10R1.30 COc1cc(cnc1N)Br 34a_100009819042_200000210301 [1,0,0,0,0,0|3,0,0]=4 655 B10R1.30 COc1cc(cnc1N)Br 7a_100009819042_200000210301 [1,0,0,0,0,0|3,0,0]=4 656 B10R1.30 COc1cc(cnc1N)Cl 34a_100000123674_200000210301 [1,0,0,0,0,0|3,0,0]=4 657 B10R1.30 COc1cc(cnc1N)Cl 7a_100000123674_200000210301 [1,0,0,0,0,0|3,0,0]=4 658 B10R1.30 COc1cc(cnc1N)F 34a_100000094369_200000210301 [1,0,0,0,0,0|3,0,0]=4 659 B10R1.30 COc1cc(cnc1N)F 7a_100000094369_200000210301 [1,0,0,0,0,0|3,0,0]=4 660 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [1,0,0,0,0,0|2,0,1]=4 661 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,0,0,0,0,0|1,0,1]=3 662 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,0,0,0,0,0|2,0,0]=3 663 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,0,0,0,0,0|2,0,0]=3 664 B10R1.30 COc1cc(ncc1Br)Br 34a_100010235016_200000210301 [1,0,0,0,0,0|3,0,0]=4 665 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,0,0,0,0,0|2,0,1]=4 666 B10R1.30 COc1cc(ncc1Br)Cl 34a_100010173860_200000210301 [1,0,0,0,0,0|3,0,0]=4 667 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [1,0,0,0,0,0|3,0,0]=4 668 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [1,0,0,0,0,0|3,0,0]=4 669 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [1,0,0,0,0,0|2,0,1]=4 670 B10R1.30 COc1cc(ncc1Cl)Br 34a_100010173861_200000210301 [1,0,0,0,0,0|3,0,0]=4 671 B10R1.30 COc1cc(ncc1F)Br 34a_100009854642_200000210301 [1,0,0,0,0,0|3,0,0]=4 672 B10R1.30 COc1cc(ncc1F)Cl 34a_100009851168_200000210301 [1,0,0,0,0,0|3,0,0]=4 673 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [1,0,0,0,0,0|2,0,1]=4 674 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [1,0,0,0,0,0|2,0,1]=4 675 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,0,0,0,0,0|1,0,1]=3 676 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,0,0,0,0,0|2,0,0]=3 677 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,0,0,0,0,0|2,0,0]=3 678 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,0,0,0,0,0|2,0,0]=3 679 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,0,0,0,0,0|2,0,1]=4 680 B10R1.30 COc1nc(ccc1F)Cl 34a_100010729010_200000210301 [1,0,0,0,0,0|3,0,0]=4 681 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,0,0,0,0,0|2,0,1]=4 682 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [1,0,0,0,0,0|2,0,1]=4 683 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,0,0,0,0,0|1,0,1]=3 684 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,0,0,0,0,0|2,0,0]=3 685 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,0,0,0,0,0|1,0,1]=3 686 B10R1.30 COc1nc(cnc1O)Br 271570a_203496583355_100010214903 [1,0,0,0,0,0|3,0,0]=4 687 B10R1.30 COc1nc(cnc1O)N 271570a_203496583355_100010128448 [1,0,0,0,0,0|3,0,0]=4 688 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,0,0,0,0,0|2,0,1]=4 689 B10R1.30 COc1nc(ncc1O)N 271570a_203496583355_100010240410 [1,0,0,0,0,0|3,0,0]=4 690 B10R1.30 CSc1cc(=O)[nH]cc1F 62a_100009817642_200000210301 [1,0,0,0,0,0|2,1,0]=4 691 B10R1.30 CSc1cc(=O)[nH]cc1F 62a_200000210301_100009817642 [1,0,0,0,0,0|2,1,0]=4 692 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,0,0,0,0,0|2,1,0]=4 693 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,0,0,0,0,0|2,1,0]=4 694 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,0,0,0,0,0|1,1,1]=4 695 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,0,0,0,0,0|1,1,1]=4 696 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,0,0,0,0,0|2,1,0]=4 697 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,0,0,0,0,0|2,1,0]=4 698 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,0,0,0,0,0|2,1,0]=4 699 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,0,0,0,0,0|2,1,0]=4 700 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,0,0,0,0,0|2,1,0]=4 701 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,0,0,0,0,0|2,1,0]=4 702 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,0,0,0,0,0|1,1,1]=4 703 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,0,0,0,0,0|1,1,1]=4 704 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,0,0,0,0,0|2,1,0]=4 705 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,0,0,0,0,0|2,1,0]=4 706 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,0,0,0,0,0|1,1,1]=4 707 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,0,0,0,0,0|1,1,1]=4 708 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,0,0,0,0,0|2,1,0]=4 709 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,0,0,0,0,0|2,1,0]=4 710 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,0,0,0,0,0|2,1,0]=4 711 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,0,0,0,0,0|2,1,0]=4 712 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,0,0,0,0,0|2,1,0]=4 713 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,0,0,0,0,0|2,1,0]=4 714 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,0,0,0,0,0|1,1,1]=4 715 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,0,0,0,0,0|1,1,1]=4 716 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,0,0,0,0,0|2,1,0]=4 717 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,0,0,0,0,0|2,1,0]=4 718 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,0,0,0,0,0|1,1,1]=4 719 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,0,0,0,0,0|1,1,1]=4 720 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,0,0,0,0,0|2,1,0]=4 721 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,0,0,0,0,0|2,1,0]=4 722 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,0,0,0,0,0|2,1,0]=4 723 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,0,0,0,0,0|2,1,0]=4 724 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,0,0,0,0,0|2,1,0]=4 725 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,0,0,0,0,0|2,1,0]=4 726 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,0,0,0,0,0|1,1,1]=4 727 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,0,0,0,0,0|1,1,1]=4 728 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,0,0,0,0,0|2,1,0]=4 729 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,0,0,0,0,0|2,1,0]=4 730 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,0,0,0,0,0|1,1,1]=4 731 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,0,0,0,0,0|1,1,1]=4 732 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,0,0,0,0,0|2,1,0]=4 733 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,0,0,0,0,0|2,1,0]=4 734 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,0,0,0,0,0|2,1,0]=4 735 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,0,0,0,0,0|2,1,0]=4 736 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,0,0,0,0,0|2,1,0]=4 737 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,0,0,0,0,0|2,1,0]=4 738 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,0,0,0,0,0|1,1,1]=4 739 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,0,0,0,0,0|1,1,1]=4 740 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,0,0,0,0,0|1,1,1]=4 741 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,0,0,0,0,0|2,1,0]=4 742 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,0,0,0,0,0|2,1,0]=4 743 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,0,0,0,0,0|1,1,1]=4 744 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,0,0,0,0,0|1,1,1]=4 745 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,0,0,0,0,0|2,1,0]=4 746 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,0,0,0,0,0|2,1,0]=4 747 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,0,0,0,0,0|2,1,0]=4 748 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,0,0,0,0,0|2,1,0]=4 749 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,0,0,0,0,0|2,1,0]=4 750 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,0,0,0,0,0|2,1,0]=4 751 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,0,0,0,0,0|1,1,1]=4 752 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,0,0,0,0,0|1,1,1]=4 753 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,0,0,0,0,0|1,1,0]=3 754 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,0,0,0,0,0|1,1,0]=3 755 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,0,0,0,0,0|0,1,1]=3 756 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,0,0,0,0,0|0,1,1]=3 757 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,0,0,0,0,0|0,1,1]=3 758 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,0,0,0,0|1,1,0]=3 759 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,0,0,0,0|1,1,0]=3 760 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,0,0,0,0,0|1,1,0]=3 761 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,0,0,0,0,0|1,1,0]=3 762 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,0,0,0,0,0|1,1,0]=3 763 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,0,0,0,0,0|1,1,0]=3 764 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,0,0,0,0,0|0,1,1]=3 765 B10R1.30 CSc1cc(cnc1O)Br 62a_100010197142_200000210301 [1,0,0,0,0,0|2,1,0]=4 766 B10R1.30 CSc1cc(cnc1O)Br 62a_200000210301_100010197142 [1,0,0,0,0,0|2,1,0]=4 767 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,0,0,0,0,0|1,1,1]=4 768 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,0,0,0,0,0|1,1,1]=4 769 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,0,0,0,0,0|1,1,1]=4 770 B10R1.30 CSc1cc(cnc1O)Cl 62a_100010188700_200000210301 [1,0,0,0,0,0|2,1,0]=4 771 B10R1.30 CSc1cc(cnc1O)Cl 62a_200000210301_100010188700 [1,0,0,0,0,0|2,1,0]=4 772 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,0,0,0,0,0|1,1,1]=4 773 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,0,0,0,0,0|1,1,1]=4 774 B10R1.30 CSc1cc(ncc1O)Cl 62a_100000698892_200000210301 [1,0,0,0,0,0|2,1,0]=4 775 B10R1.30 CSc1cc(ncc1O)Cl 62a_200000210301_100000698892 [1,0,0,0,0,0|2,1,0]=4 776 B10R1.30 CSc1nc(ccc1O)Br 62a_100010253912_200000210301 [1,0,0,0,0,0|2,1,0]=4 777 B10R1.30 CSc1nc(ccc1O)Br 62a_200000210301_100010253912 [1,0,0,0,0,0|2,1,0]=4 778 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,0,0,0,0,0|1,1,1]=4 779 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,0,0,0,0,0|1,1,1]=4 780 B10R1.30 CSc1nc(ccc1O)Cl 62a_200000210301_100000696390 [1,0,0,0,0,0|2,1,0]=4 781 B10R1.30 CSc1nc(ccc1O)F 62a_100010382442_200000210301 [1,0,0,0,0,0|2,1,0]=4 782 B10R1.30 CSc1nc(ccc1O)F 62a_200000210301_100010382442 [1,0,0,0,0,0|2,1,0]=4 783 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,0,0,0,0,0|2,0,1]=4 784 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,0,0,0,0,0|1,1,1]=4 785 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,0,0,0,0,0|1,1,1]=4 786 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,0,0,0,0,0|2,0,1]=4 787 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,0,0,0,0,0|2,0,1]=4 788 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,0,0,0,0,0|2,0,1]=4 789 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,0,0,0,0,0|2,0,1]=4 790 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 791 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 792 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 793 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,0,0,0,0,0|2,0,1]=4 794 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,0,0,0,0,0|2,0,1]=4 795 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,0,0,0,0,0|2,0,1]=4 796 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,0,0,0,0,0|1,0,1]=3 797 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,0,0,0,0,0|1,0,1]=3 798 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,0,0,0,0,0|1,0,1]=3 799 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,0,0,0,0,0|1,0,1]=3 800 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,0,0,0,0,0|1,0,1]=3 801 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,0,0,0,0,0|1,0,1]=3 802 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,0,0,0,0,0|1,0,1]=3 803 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,0,0,0,0,0|1,0,1]=3 804 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,0,0,0,0,0|1,0,1]=3 805 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,0,0,0,0,0|1,0,1]=3 806 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,0,0,0,0,0|1,0,1]=3 807 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,0,0,0,0,0|1,1,1]=4 808 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,0,0,0,0,0|1,1,1]=4 809 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,0,0,0,0,0|1,1,1]=4 810 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,0,0,0,0,0|1,1,1]=4 811 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,0,0,0,0,0|1,1,1]=4 812 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,0,0,0,0,0|1,1,1]=4 813 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,0,0,0,0,0|1,1,1]=4 814 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,0,0,0,0,0|1,1,1]=4 815 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,0,0,0,0,0|1,1,1]=4 816 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,0,0,0,0,0|1,1,1]=4 817 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,0,0,0,0,0|0,1,1]=3 818 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,0,0,0,0,0|0,1,1]=3 819 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,0,0,0,0,0|2,0,1]=4 820 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,0,0,0,0,0|2,0,1]=4 821 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,0,0,0,0,0|1,1,1]=4 822 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,0,0,0,0,0|1,1,1]=4 823 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,0,0,0,0,0|3,0,0]=4 824 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,0,0,0,0,0|3,0,0]=4 825 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,0,0,0,0,0|3,0,0]=4 826 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,0,0,0,0,0|3,0,0]=4 827 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,0,0,0,0,0|3,0,0]=4 828 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,0,0,0,0,0|3,0,0]=4 829 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,0,0,0,0,0|3,0,0]=4 830 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,0,0,0,0,0|2,0,1]=4 831 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,0,0,0,0,0|2,0,0]=3 832 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,0,0,0,0,0|2,0,0]=3 833 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,0,0,0,0,0|2,0,0]=3 834 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,0,0,0,0,0|2,0,0]=3 835 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,0,0,0,0,0|2,0,0]=3 836 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,0,0,0,0,0|2,0,0]=3 837 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,0,0,0,0,0|2,0,0]=3 838 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,0,0,0,0,0|2,0,0]=3 839 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,0,0,0,0,0|2,0,0]=3 840 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,0,0,0,0,0|2,1,0]=4 841 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,0,0,0,0,0|2,1,0]=4 842 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,0,0,0,0,0|2,1,0]=4 843 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,0,0,0,0,0|2,1,0]=4 844 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,0,0,0,0,0|2,1,0]=4 845 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,0,0,0,0,0|2,1,0]=4 846 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,0,0,0,0,0|2,1,0]=4 847 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,0,0,0,0,0|2,1,0]=4 848 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,0,0,0,0,0|1,1,1]=4 849 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,0,0,0,0,0|1,1,1]=4 850 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,0,0,0,0,0|2,0,1]=4 851 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,0,0,0,0,0|2,0,1]=4 852 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,0,0,0,0,0|2,0,1]=4 853 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,0,0,0,0,0|2,0,1]=4 854 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,0,0,0,0,0|1,1,1]=4 855 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,0,0,0,0,0|1,1,1]=4 856 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [1,0,0,0,0,0|3,0,0]=4 857 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [1,0,0,0,0,0|3,0,0]=4 858 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,0,0,0,0,0|3,0,0]=4 859 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,0,0,0,0,0|3,0,0]=4 860 B10R1.30 N#Cc1[nH]c(=O)ccc1O 271570a_203496583355_100010559384 [1,0,0,0,0,0|3,0,0]=4 861 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,0,0,0,0,0|3,0,0]=4 862 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,0,0,0,0,0|3,0,0]=4 863 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,0,0,0,0,0|3,0,0]=4 864 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,0,0,0,0,0|3,0,0]=4 865 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,0,0,0,0,0|2,0,1]=4 866 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,0,0,0,0,0|2,0,1]=4 867 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,0,0,0,0,0|3,0,0]=4 868 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,0,0,0,0,0|2,0,1]=4 869 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,0,0,0,0,0|3,0,0]=4 870 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,0,0,0,0,0|3,0,0]=4 871 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,0,0,0,0,0|3,0,0]=4 872 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,0,0,0,0|3,0,0]=4 873 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,0,0,0,0,0|3,0,0]=4 874 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,0,0,0,0,0|2,0,1]=4 875 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,0,0,0,0,0|2,0,1]=4 876 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,0,0,0,0,0|3,0,0]=4 877 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,0,0,0,0,0|3,0,0]=4 878 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,0,0,0,0,0|2,0,1]=4 879 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,0,0,0,0,0|2,0,1]=4 880 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,0,0,0,0,0|3,0,0]=4 881 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,0,0,0,0,0|3,0,0]=4 882 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,0,0,0,0,0|3,0,0]=4 883 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,0,0,0,0,0|2,0,1]=4 884 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,0,0,0,0,0|3,0,0]=4 885 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,0,0,0,0,0|3,0,0]=4 886 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,0,0,0,0,0|3,0,0]=4 887 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,0,0,0,0,0|3,0,0]=4 888 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,0,0,0,0,0|2,0,1]=4 889 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,0,0,0,0,0|3,0,0]=4 890 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,0,0,0,0,0|3,0,0]=4 891 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,0,0,0,0,0|3,0,0]=4 892 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,0,0,0,0,0|3,0,0]=4 893 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,0,0,0,0,0|2,0,1]=4 894 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,0,0,0,0,0|3,0,0]=4 895 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,0,0,0,0,0|3,0,0]=4 896 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,0,0,0,0,0|3,0,0]=4 897 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,0,0,0,0,0|2,0,0]=3 898 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,0,0,0,0|2,0,0]=3 899 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,0,0,0,0,0|2,0,0]=3 900 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,0,0,0,0,0|2,0,0]=3 901 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,0,0,0,0,0|2,0,0]=3 902 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,0,0,0,0,0|2,0,0]=3 903 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,0,0,0,0,0|2,0,0]=3 904 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,0,0,0,0,0|2,0,0]=3 905 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,0,0,0,0,0|2,0,0]=3 906 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,0,0,0,0,0|2,0,0]=3 907 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,0,0,0,0,0|2,0,0]=3 908 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,0,0,0,0,0|2,0,0]=3 909 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,0,0,0,0,0|2,0,0]=3 910 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,0,0,0,0,0|2,0,0]=3 911 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,0,0,0,0,0|2,0,0]=3 912 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,0,0,0,0,0|2,0,0]=3 913 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,0,0,0,0,0|2,0,0]=3 914 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,0,0,0,0,0|2,0,0]=3 915 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,0,0,0,0,0|2,0,0]=3 916 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,0,0,0,0,0|2,0,0]=3 917 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,0,0,0,0,0|2,0,0]=3 918 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,0,0,0,0,0|2,0,0]=3 919 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,0,0,0,0,0|2,0,0]=3 920 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,0,0,0,0,0|2,0,0]=3 921 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,0,0,0,0,0|2,0,0]=3 922 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,0,0,0,0,0|2,0,0]=3 923 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,0,0,0,0,0|2,0,0]=3 924 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,0,0,0,0,0|2,0,0]=3 925 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,0,0,0,0,0|2,0,0]=3 926 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 927 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,0,0,0,0,0|2,0,0]=3 928 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,0,0,0,0,0|2,0,0]=3 929 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,0,0,0,0,0|2,0,0]=3 930 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,0,0,0,0,0|2,0,0]=3 931 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,0,0,0,0,0|2,0,0]=3 932 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,0,0,0,0,0|2,0,0]=3 933 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,0,0,0,0,0|2,0,0]=3 934 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,0,0,0,0,0|2,0,0]=3 935 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,0,0,0,0,0|2,0,0]=3 936 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,0,0,0,0,0|2,0,0]=3 937 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,0,0,0,0,0|2,0,0]=3 938 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,0,0,0,0,0|2,0,0]=3 939 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,0,0,0,0,0|2,0,0]=3 940 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,0,0,0,0,0|2,0,0]=3 941 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,0,0,0,0,0|2,0,0]=3 942 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,0,0,0,0,0|2,0,0]=3 943 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 34a_100000697010_200025704644 [1,0,0,0,0,0|3,0,0]=4 944 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 7a_100000697010_200025704644 [1,0,0,0,0,0|3,0,0]=4 945 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 34a_100009820119_200025704644 [1,0,0,0,0,0|3,0,0]=4 946 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 7a_100009820119_200025704644 [1,0,0,0,0,0|3,0,0]=4 947 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 34a_100012354860_200025704644 [1,0,0,0,0,0|3,0,0]=4 948 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 7a_100012354860_200025704644 [1,0,0,0,0,0|3,0,0]=4 949 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 34a_100000079967_200025704644 [1,0,0,0,0,0|3,0,0]=4 950 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 7a_100000079967_200025704644 [1,0,0,0,0,0|3,0,0]=4 951 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 34a_100009819871_200025704644 [1,0,0,0,0,0|3,0,0]=4 952 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 7a_100009819871_200025704644 [1,0,0,0,0,0|3,0,0]=4 953 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 34a_100000094372_200025704644 [1,0,0,0,0,0|3,0,0]=4 954 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 7a_100000094372_200025704644 [1,0,0,0,0,0|3,0,0]=4 955 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 34a_100010210634_200025704644 [1,0,0,0,0,0|3,0,0]=4 956 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 7a_100010210634_200025704644 [1,0,0,0,0,0|3,0,0]=4 957 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 34a_100010233512_200025704644 [1,0,0,0,0,0|3,0,0]=4 958 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 7a_100010233512_200025704644 [1,0,0,0,0,0|3,0,0]=4 959 B10R1.30 [13CH3]Oc1cc(cnc1I)F 34a_100015624800_200025704644 [1,0,0,0,0,0|3,0,0]=4 960 B10R1.30 [13CH3]Oc1cc(cnc1I)F 7a_100015624800_200025704644 [1,0,0,0,0,0|3,0,0]=4 961 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 34a_100009819042_200025704644 [1,0,0,0,0,0|3,0,0]=4 962 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 7a_100009819042_200025704644 [1,0,0,0,0,0|3,0,0]=4 963 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 34a_100000123674_200025704644 [1,0,0,0,0,0|3,0,0]=4 964 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 7a_100000123674_200025704644 [1,0,0,0,0,0|3,0,0]=4 965 B10R1.30 [13CH3]Oc1cc(cnc1N)F 34a_100000094369_200025704644 [1,0,0,0,0,0|3,0,0]=4 966 B10R1.30 [13CH3]Oc1cc(cnc1N)F 7a_100000094369_200025704644 [1,0,0,0,0,0|3,0,0]=4 967 B10R1.30 [13CH3]Oc1cc(ncc1Br)Br 34a_100010235016_200025704644 [1,0,0,0,0,0|3,0,0]=4 968 B10R1.30 [13CH3]Oc1cc(ncc1Br)Cl 34a_100010173860_200025704644 [1,0,0,0,0,0|3,0,0]=4 969 B10R1.30 [13CH3]Oc1cc(ncc1Cl)Br 34a_100010173861_200025704644 [1,0,0,0,0,0|3,0,0]=4 970 B10R1.30 [13CH3]Oc1cc(ncc1F)Br 34a_100009854642_200025704644 [1,0,0,0,0,0|3,0,0]=4 971 B10R1.30 [13CH3]Oc1cc(ncc1F)Cl 34a_100009851168_200025704644 [1,0,0,0,0,0|3,0,0]=4 972 B10R1.30 [13CH3]Oc1nc(ccc1F)Cl 34a_100010729010_200025704644 [1,0,0,0,0,0|3,0,0]=4 973 B10R1.30 [13CH3]Sc1cc(=O)[nH]cc1F 62a_100009817642_200025704644 [1,0,0,0,0,0|2,1,0]=4 974 B10R1.30 [13CH3]Sc1cc(=O)[nH]cc1F 62a_200025704644_100009817642 [1,0,0,0,0,0|2,1,0]=4 975 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,0,0,0,0,0|2,1,0]=4 976 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,0,0,0,0,0|2,1,0]=4 977 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,0,0,0,0,0|2,1,0]=4 978 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,0,0,0,0,0|2,1,0]=4 979 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,0,0,0,0,0|2,1,0]=4 980 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,0,0,0,0,0|2,1,0]=4 981 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,0,0,0,0,0|2,1,0]=4 982 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,0,0,0,0,0|2,1,0]=4 983 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,0,0,0,0,0|1,1,1]=4 984 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,0,0,0,0,0|1,1,1]=4 985 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,0,0,0,0,0|2,1,0]=4 986 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,0,0,0,0,0|2,1,0]=4 987 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,0,0,0,0,0|2,1,0]=4 988 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,0,0,0,0,0|2,1,0]=4 989 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,0,0,0,0,0|2,1,0]=4 990 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,0,0,0,0,0|2,1,0]=4 991 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,0,0,0,0,0|2,1,0]=4 992 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,0,0,0,0,0|2,1,0]=4 993 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,0,0,0,0,0|1,1,1]=4 994 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,0,0,0,0,0|1,1,1]=4 995 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,0,0,0,0,0|2,1,0]=4 996 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,0,0,0,0,0|2,1,0]=4 997 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,0,0,0,0,0|2,1,0]=4 998 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,0,0,0,0,0|2,1,0]=4 999 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,0,0,0,0,0|2,1,0]=4 1000 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,0,0,0,0,0|2,1,0]=4 1001 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,0,0,0,0,0|2,1,0]=4 1002 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,0,0,0,0,0|2,1,0]=4 1003 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,0,0,0,0,0|1,1,1]=4 1004 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,0,0,0,0,0|1,1,1]=4 1005 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,0,0,0,0,0|2,1,0]=4 1006 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,0,0,0,0,0|2,1,0]=4 1007 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,0,0,0,0,0|2,1,0]=4 1008 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,0,0,0,0,0|2,1,0]=4 1009 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,0,0,0,0,0|2,1,0]=4 1010 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,0,0,0,0,0|2,1,0]=4 1011 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,0,0,0,0,0|2,1,0]=4 1012 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,0,0,0,0,0|2,1,0]=4 1013 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,0,0,0,0,0|1,1,1]=4 1014 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,0,0,0,0,0|1,1,1]=4 1015 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,0,0,0,0,0|1,1,0]=3 1016 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,0,0,0,0,0|1,1,0]=3 1017 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,0,0,0,0|1,1,0]=3 1018 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,0,0,0,0|1,1,0]=3 1019 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,0,0,0,0,0|1,1,0]=3 1020 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,0,0,0,0,0|1,1,0]=3 1021 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,0,0,0,0,0|1,1,0]=3 1022 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,0,0,0,0,0|1,1,0]=3 1023 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,0,0,0,0,0|0,1,1]=3 1024 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_100010197142_200025704644 [1,0,0,0,0,0|2,1,0]=4 1025 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_200025704644_100010197142 [1,0,0,0,0,0|2,1,0]=4 1026 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_100010188700_200025704644 [1,0,0,0,0,0|2,1,0]=4 1027 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_200025704644_100010188700 [1,0,0,0,0,0|2,1,0]=4 1028 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_100000698892_200025704644 [1,0,0,0,0,0|2,1,0]=4 1029 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_200025704644_100000698892 [1,0,0,0,0,0|2,1,0]=4 1030 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_100010253912_200025704644 [1,0,0,0,0,0|2,1,0]=4 1031 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_200025704644_100010253912 [1,0,0,0,0,0|2,1,0]=4 1032 B10R1.30 [13CH3]Sc1nc(ccc1O)Cl 62a_200025704644_100000696390 [1,0,0,0,0,0|2,1,0]=4 1033 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_100010382442_200025704644 [1,0,0,0,0,0|2,1,0]=4 1034 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_200025704644_100010382442 [1,0,0,0,0,0|2,1,0]=4 1035 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [1,0,0,0,0,0|2,0,1]=4 1036 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [1,0,0,0,0,0|2,0,1]=4 1037 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1038 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [1,0,0,0,0,0|2,0,1]=4 1039 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,0,0,0,0,0|1,0,1]=3 1040 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,0,0,0,0,0|1,0,1]=3 1041 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,0,0,0,0,0|1,0,1]=3 1042 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,0,0,0,0,0|1,0,1]=3 1043 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [1,0,0,0,0,0|2,0,1]=4 1044 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [1,0,0,0,0,0|3,0,0]=4 1045 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [1,0,0,0,0,0|3,0,0]=4 1046 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,0,0,0,0,0|2,0,0]=3 1047 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [1,0,0,0,0,0|2,1,0]=4 1048 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [1,0,0,0,0,0|2,1,0]=4 1049 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [1,0,0,0,0,0|2,1,0]=4 1050 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [1,0,0,0,0,0|2,1,0]=4 1051 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [1,0,0,0,0,0|2,1,0]=4 1052 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [1,0,0,0,0,0|3,0,0]=4 1053 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [1,0,0,0,0,0|3,0,0]=4 1054 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [1,0,0,0,0,0|3,0,0]=4 1055 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,0,0,0,0,0|1,0,1]=3 1056 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,0,0,0,0,0|2,0,0]=3 1057 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,0,0,0,0,0|3,0,0]=4 1058 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,0,0,0,0,0|3,0,0]=4 1059 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,0,0,0,0,0|3,0,0]=4 1060 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,0,0,0,0,0|2,0,0]=3 1061 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,0,0,0,0,0|2,0,0]=3 1062 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [1,0,0,0,0,0|3,0,0]=4 1063 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,0,0,0,0,0|2,0,0]=3 1064 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,0,0,0,0,0|1,0,0]=2 1065 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,0,0,0,0,0|1,0,0]=2 1066 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,0,0,0,0,0|1,0,0]=2 1067 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,0,0,0,0,0|1,0,0]=2 1068 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,0,0,0,0,0|1,0,0]=2 1069 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,0,0,0,0,0|1,1,0]=3 1070 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,0,0,0,0,0|1,1,0]=3 1071 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,0,0,0,0,0|1,1,0]=3 1072 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,0,0,0,0,0|1,1,0]=3 1073 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,0,0,0,0,0|1,1,0]=3 1074 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [1,0,0,0,0,0|2,0,1]=4 1075 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [1,0,0,0,0,0|3,0,0]=4 1076 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [1,0,0,0,0,0|3,0,0]=4 1077 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,0,0,0,0,0|2,0,0]=3 1078 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [1,0,0,0,0,0|2,1,0]=4 1079 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [1,0,0,0,0,0|2,0,1]=4 1080 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [1,0,0,0,0,0|3,0,0]=4 1081 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [1,0,0,0,0,0|3,0,0]=4 1082 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,0,0,0,0,0|2,0,0]=3 1083 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [1,0,0,0,0,0|3,0,0]=4 1084 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [1,0,0,0,0,0|2,0,1]=4 1085 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [1,0,0,0,0,0|3,0,0]=4 1086 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [1,0,0,0,0,0|3,0,0]=4 1087 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,0,0,0,0,0|2,0,0]=3 1088 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [1,0,0,0,0,0|2,1,0]=4 1089 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [1,0,0,0,0,0|2,1,0]=4 1090 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [1,0,0,0,0,0|2,1,0]=4 1091 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [1,0,0,0,0,0|2,1,0]=4 1092 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [1,0,0,0,0,0|2,1,0]=4 1093 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [1,0,0,0,0,0|3,0,0]=4 1094 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [1,0,0,0,0,0|3,0,0]=4 1095 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,0,0,0,0,0|2,0,1]=4 1096 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,0,0,0,0,0|2,0,1]=4 1097 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,0,0,0,0,0|2,0,1]=4 1098 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,0,0,0,0,0|2,0,1]=4 1099 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,0,0,0,0,0|2,0,1]=4 1100 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,0,0,0,0,0|2,0,1]=4 1101 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,0,0,0,0,0|2,0,1]=4 1102 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,0,0,0,0,0|2,0,1]=4 1103 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,0,0,0,0,0|2,0,1]=4 1104 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,0,0,0,0,0|2,0,1]=4 1105 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,0,0,0,0,0|1,0,1]=3 1106 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,0,0,0,0,0|1,0,1]=3 1107 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,0,0,0,0,0|1,0,1]=3 1108 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,0,0,0,0,0|1,0,1]=3 1109 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [1,0,0,0,0,0|1,1,1]=4 1110 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [1,0,0,0,0,0|1,1,1]=4 1111 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [1,0,0,0,0,0|1,1,1]=4 1112 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [1,0,0,0,0,0|1,1,1]=4 1113 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [1,0,0,0,0,0|2,0,1]=4 1114 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [1,0,0,0,0,0|2,0,1]=4 1115 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [1,0,0,0,0,0|2,0,1]=4 1116 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [1,0,0,0,0,0|2,0,1]=4 1117 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 1118 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 1119 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 1120 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 1121 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 1122 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,0,0,0,0,0|1,0,2]=4 1123 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,0,0,0,0,0|1,0,2]=4 1124 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,0,0,0,0,0|2,0,0]=3 1125 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,0,0,0,0,0|2,0,0]=3 1126 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,0,0,0,0,0|2,0,0]=3 1127 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,0,0,0,0,0|2,0,0]=3 1128 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,0,0,0,0,0|2,0,0]=3 1129 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [1,0,0,0,0,0|2,1,0]=4 1130 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [1,0,0,0,0,0|2,1,0]=4 1131 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [1,0,0,0,0,0|2,1,0]=4 1132 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [1,0,0,0,0,0|2,1,0]=4 1133 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [1,0,0,0,0,0|2,1,0]=4 1134 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [1,0,0,0,0,0|2,1,0]=4 1135 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [1,0,0,0,0,0|2,0,1]=4 1136 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [1,0,0,0,0,0|3,0,0]=4 1137 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [1,0,0,0,0,0|3,0,0]=4 1138 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [1,0,0,0,0,0|3,0,0]=4 1139 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [1,0,0,0,0,0|3,0,0]=4 1140 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [1,0,0,0,0,0|3,0,0]=4 1141 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 1142 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 1143 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,0,0,0,0,0|1,0,1]=3 1144 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,0,0,0,0,0|1,0,1]=3 1145 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1146 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1147 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,0,0,0,0,0|1,0,1]=3 1148 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,0,0,0,0,0|0,0,2]=3 1149 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,0,0,0,0,0|0,0,2]=3 1150 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,0,0,0,0,0|2,0,0]=3 1151 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1152 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,0,0,0,0,0|2,0,0]=3 1153 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1154 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,0,0,0,0,0|2,0,0]=3 1155 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,0,0,0,0,0|2,0,0]=3 1156 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,0,0,0,0,0|2,0,0]=3 1157 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,0,0,0,0,0|2,0,0]=3 1158 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,0,0,0,0,0|2,0,0]=3 1159 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [1,0,0,0,0,0|3,0,0]=4 1160 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [1,0,0,0,0,0|3,0,0]=4 1161 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [1,0,0,0,0,0|3,0,0]=4 1162 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [1,0,0,0,0,0|3,0,0]=4 1163 B10R1.172 COc1ccnc(c1)C#N 34a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 1164 B10R1.172 COc1ccnc(c1)C#N 7a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 1165 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [1,0,0,0,0,0|3,0,0]=4 1166 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [1,0,0,0,0,0|3,0,0]=4 1167 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [1,0,0,0,0,0|3,0,0]=4 1168 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [1,0,0,0,0,0|3,0,0]=4 1169 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [1,0,0,0,0,0|3,0,0]=4 1170 B10R1.172 COc1cncc(c1)C#N 34a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 1171 B10R1.172 COc1cncc(c1)C#N 7a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 1172 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [1,0,0,0,0,0|3,0,0]=4 1173 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [1,0,0,0,0,0|3,0,0]=4 1174 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [1,0,0,0,0,0|3,0,0]=4 1175 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [1,0,0,0,0,0|3,0,0]=4 1176 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [1,0,0,0,0,0|3,0,0]=4 1177 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [1,0,0,0,0,0|3,0,0]=4 1178 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [1,0,0,0,0,0|3,0,0]=4 1179 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [1,0,0,0,0,0|3,0,0]=4 1180 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,0,0,0,0,0|1,1,0]=3 1181 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,0,0,0,0,0|1,1,0]=3 1182 B10R1.172 CSc1cccc(c1)C#N 62a_200000210301_100000189340 [1,0,0,0,0,0|1,1,1]=4 1183 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,0,0,0,0,0|0,1,0]=2 1184 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,0,0,0,0,0|0,1,0]=2 1185 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [1,0,0,0,0,0|1,1,1]=4 1186 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [1,0,0,0,0,0|1,1,1]=4 1187 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [1,0,0,0,0,0|1,1,1]=4 1188 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [1,0,0,0,0,0|1,1,1]=4 1189 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,0,0,0,0,0|0,1,2]=4 1190 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,0,0,0,0,0|0,1,2]=4 1191 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [1,0,0,0,0,0|2,1,0]=4 1192 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [1,0,0,0,0,0|2,1,0]=4 1193 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [1,0,0,0,0,0|2,1,0]=4 1194 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [1,0,0,0,0,0|2,1,0]=4 1195 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,0,0,0,0,0|2,0,0]=3 1196 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,0,0,0,0,0|2,0,0]=3 1197 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [1,0,0,0,0,0|2,1,0]=4 1198 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [1,0,0,0,0,0|2,1,0]=4 1199 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [1,0,0,0,0,0|2,1,0]=4 1200 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [1,0,0,0,0,0|2,1,0]=4 1201 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,0,0,0,0,0|1,1,0]=3 1202 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,0,0,0,0,0|1,1,0]=3 1203 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,0,0,0,0,0|1,1,0]=3 1204 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,0,0,0,0,0|1,1,0]=3 1205 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,0,0,0,0,0|1,1,0]=3 1206 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,0,0,0,0,0|1,1,0]=3 1207 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 1208 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 1209 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 1210 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 1211 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 1212 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,0,0,0,0,0|1,0,2]=4 1213 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,0,0,0,0,0|1,0,2]=4 1214 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [1,0,0,0,0,0|2,0,1]=4 1215 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 1216 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 1217 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,0,0,0,0,0|1,0,1]=3 1218 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,0,0,0,0,0|1,0,1]=3 1219 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1220 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1221 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,0,0,0,0,0|1,0,1]=3 1222 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,0,0,0,0,0|0,0,2]=3 1223 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,0,0,0,0,0|0,0,2]=3 1224 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 34a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 1225 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 7a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 1226 B10R1.172 [13CH3]Oc1cncc(c1)C#N 34a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 1227 B10R1.172 [13CH3]Oc1cncc(c1)C#N 7a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 1228 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,0,0,0,0,0|1,1,0]=3 1229 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,0,0,0,0,0|1,1,0]=3 1230 B10R1.172 [13CH3]Sc1cccc(c1)C#N 62a_200025704644_100000189340 [1,0,0,0,0,0|1,1,1]=4 1231 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,0,0,0,0,0|0,1,0]=2 1232 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,0,0,0,0,0|0,1,0]=2 1233 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [1,0,0,0,0,0|1,1,1]=4 1234 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [1,0,0,0,0,0|1,1,1]=4 1235 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [1,0,0,0,0,0|1,1,1]=4 1236 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [1,0,0,0,0,0|1,1,1]=4 1237 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,0,0,0,0,0|0,1,2]=4 1238 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,0,0,0,0,0|0,1,2]=4 1239 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [1,0,0,0,0,0|2,1,0]=4 1240 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [1,0,0,0,0,0|2,1,0]=4 1241 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,0,0,0,0,0|1,1,0]=3 1242 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,0,0,0,0,0|1,1,0]=3 1243 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,0,0,0,0,0|1,1,0]=3 1244 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,0,0,0,0,0|1,1,0]=3 1245 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,0,0,0,0,0|1,1,0]=3 1246 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,0,0,0,0,0|1,1,0]=3 1247 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,0,0,0,0,0|2,0,1]=4 1248 B10R1.176 C=Cc1cc(c(cn1)Br)C 271570a_100011290941_100012356354 [1,0,0,0,0,0|3,0,0]=4 1249 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [1,0,0,0,0,0|3,0,0]=4 1250 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,0,0,0,0,0|3,0,0]=4 1251 B10R1.176 C=Cc1cc(c(cn1)F)C 271570a_100011290941_100009818257 [1,0,0,0,0,0|3,0,0]=4 1252 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [1,0,0,0,0,0|3,0,0]=4 1253 B10R1.176 C=Cc1cc(c(cn1)N)C 271570a_100011290941_100000765520 [1,0,0,0,0,0|3,0,0]=4 1254 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,0,0,0,0,0|2,0,0]=3 1255 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [1,0,0,0,0,0|3,0,0]=4 1256 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [1,0,0,0,0,0|2,0,1]=4 1257 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,0,0,0,0,0|3,0,0]=4 1258 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,0,0,0,0,0|3,0,0]=4 1259 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,0,0,0,0,0|3,0,0]=4 1260 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,0,0,0,0,0|3,0,0]=4 1261 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,0,0,0,0,0|3,0,0]=4 1262 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,0,0,0,0,0|2,0,0]=3 1263 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,0,0,0,0,0|2,0,0]=3 1264 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,0,0,0,0,0|2,0,0]=3 1265 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,0,0,0,0,0|2,0,0]=3 1266 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,0,0,0,0,0|2,0,0]=3 1267 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,0,0,0,0,0|2,0,0]=3 1268 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,0,0,0,0,0|1,0,0]=2 1269 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,0,0,0,0,0|3,0,0]=4 1270 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,0,0,0,0,0|3,0,0]=4 1271 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,0,0,0,0,0|3,0,0]=4 1272 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,0,0,0,0,0|3,0,0]=4 1273 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,0,0,0,0,0|3,0,0]=4 1274 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,0,0,0,0,0|2,0,0]=3 1275 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,0,0,0,0,0|3,0,0]=4 1276 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,0,0,0,0,0|3,0,0]=4 1277 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,0,0,0,0,0|3,0,0]=4 1278 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,0,0,0,0,0|3,0,0]=4 1279 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,0,0,0,0,0|3,0,0]=4 1280 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,0,0,0,0,0|2,0,0]=3 1281 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,0,0,0,0,0|3,0,0]=4 1282 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,0,0,0,0,0|3,0,0]=4 1283 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,0,0,0,0,0|3,0,0]=4 1284 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,0,0,0,0,0|3,0,0]=4 1285 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,0,0,0,0,0|3,0,0]=4 1286 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,0,0,0,0,0|2,0,0]=3 1287 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,0,0,0,0|2,0,0]=3 1288 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,0,0,0,0|2,0,0]=3 1289 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,0,0,0,0|2,0,0]=3 1290 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,0,0,0,0|2,0,0]=3 1291 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,0,0,0,0|2,0,0]=3 1292 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,0,0,0,0|1,0,0]=2 1293 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [1,0,0,0,0,0|3,0,0]=4 1294 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [1,0,0,0,0,0|3,0,0]=4 1295 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [1,0,0,0,0,0|3,0,0]=4 1296 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [1,0,0,0,0,0|3,0,0]=4 1297 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [1,0,0,0,0,0|3,0,0]=4 1298 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,0,0,0,0,0|2,0,0]=3 1299 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [1,0,0,0,0,0|3,0,0]=4 1300 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [1,0,0,0,0,0|3,0,0]=4 1301 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [1,0,0,0,0,0|3,0,0]=4 1302 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [1,0,0,0,0,0|3,0,0]=4 1303 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [1,0,0,0,0,0|3,0,0]=4 1304 B10R1.176 C=Cc1cnc(c(c1)C)Br 271570a_100011290941_100009816107 [1,0,0,0,0,0|3,0,0]=4 1305 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [1,0,0,0,0,0|3,0,0]=4 1306 B10R1.176 C=Cc1cnc(c(c1)C)Cl 271570a_100011290941_100009922867 [1,0,0,0,0,0|3,0,0]=4 1307 B10R1.176 C=Cc1cnc(c(c1)C)F 271570a_100011290941_100000709442 [1,0,0,0,0,0|3,0,0]=4 1308 B10R1.176 C=Cc1cnc(c(c1)C)N 271570a_100011290941_100000186686 [1,0,0,0,0,0|3,0,0]=4 1309 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,0,0,0,0,0|2,0,0]=3 1310 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [1,0,0,0,0,0|3,0,0]=4 1311 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [1,0,0,0,0,0|3,0,0]=4 1312 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,0,0,0,0,0|3,0,0]=4 1313 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [1,0,0,0,0,0|3,0,0]=4 1314 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [1,0,0,0,0,0|3,0,0]=4 1315 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,0,0,0,0,0|2,0,1]=4 1316 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,0,0,0,0,0|2,0,1]=4 1317 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,0,0,0,0,0|2,0,1]=4 1318 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,0,0,0,0,0|2,0,1]=4 1319 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,0,0,0,0|1,0,1]=3 1320 B10R1.176 CNc1cc(c(cn1)O)C 271570a_203496583355_100012352278 [1,0,0,0,0,0|3,0,0]=4 1321 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 1322 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 1323 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 1324 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,0,0,0,0,0|3,0,0]=4 1325 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1326 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1327 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,0,0,0,0,0|3,0,0]=4 1328 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1329 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1330 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,0,0,0,0,0|3,0,0]=4 1331 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 1332 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 1333 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,0,0,0,0,0|3,0,0]=4 1334 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,0,0,0,0,0|3,0,0]=4 1335 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,0,0,0,0,0|3,0,0]=4 1336 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,0,0,0,0|2,0,0]=3 1337 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,0,0,0,0|2,0,0]=3 1338 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,0,0,0,0|2,0,0]=3 1339 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 1340 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,0,0,0,0,0|3,0,0]=4 1341 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 1342 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 1343 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,0,0,0,0|3,0,0]=4 1344 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 1345 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 1346 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,0,0,0,0,0|3,0,0]=4 1347 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 1348 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 1349 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,0,0,0,0|2,0,0]=3 1350 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [1,0,0,0,0,0|3,0,0]=4 1351 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,0,0,0,0,0|3,0,0]=4 1352 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,0,0,0,0,0|3,0,0]=4 1353 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1354 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,0,0,0,0,0|3,0,0]=4 1355 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,0,0,0,0,0|3,0,0]=4 1356 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,0,0,0,0,0|3,0,0]=4 1357 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,0,0,0,0,0|3,0,0]=4 1358 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,0,0,0,0,0|3,0,0]=4 1359 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,0,0,0,0,0|3,0,0]=4 1360 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,0,0,0,0,0|3,0,0]=4 1361 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,0,0,0,0,0|3,0,0]=4 1362 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,0,0,0,0,0|3,0,0]=4 1363 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,0,0,0,0,0|3,0,0]=4 1364 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,0,0,0,0,0|3,0,0]=4 1365 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,0,0,0,0|2,0,0]=3 1366 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,0,0,0,0,0|3,0,0]=4 1367 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,0,0,0,0,0|3,0,0]=4 1368 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,0,0,0,0,0|3,0,0]=4 1369 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,0,0,0,0|3,0,0]=4 1370 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,0,0,0,0,0|3,0,0]=4 1371 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,0,0,0,0,0|3,0,0]=4 1372 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,0,0,0,0,0|3,0,0]=4 1373 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,0,0,0,0|2,0,0]=3 1374 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,0,0,0,0|2,0,0]=3 1375 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [1,0,0,0,0,0|3,0,0]=4 1376 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [1,0,0,0,0,0|3,0,0]=4 1377 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [1,0,0,0,0,0|3,0,0]=4 1378 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,0,0,0,0,0|3,0,0]=4 1379 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,0,0,0,0,0|3,0,0]=4 1380 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,0,0,0,0,0|3,0,0]=4 1381 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,0,0,0,0,0|3,0,0]=4 1382 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,0,0,0,0,0|3,0,0]=4 1383 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,0,0,0,0,0|3,0,0]=4 1384 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,0,0,0,0,0|3,0,0]=4 1385 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,0,0,0,0,0|3,0,0]=4 1386 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,0,0,0,0,0|3,0,0]=4 1387 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,0,0,0,0,0|3,0,0]=4 1388 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,0,0,0,0,0|3,0,0]=4 1389 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,0,0,0,0,0|3,0,0]=4 1390 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,0,0,0,0|2,0,0]=3 1391 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,0,0,0,0,0|3,0,0]=4 1392 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,0,0,0,0,0|3,0,0]=4 1393 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,0,0,0,0,0|3,0,0]=4 1394 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,0,0,0,0,0|3,0,0]=4 1395 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,0,0,0,0,0|3,0,0]=4 1396 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 1397 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,0,0,0,0,0|3,0,0]=4 1398 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,0,0,0,0,0|3,0,0]=4 1399 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,0,0,0,0,0|3,0,0]=4 1400 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,0,0,0,0|3,0,0]=4 1401 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,0,0,0,0|3,0,0]=4 1402 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,0,0,0,0,0|3,0,0]=4 1403 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,0,0,0,0,0|3,0,0]=4 1404 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,0,0,0,0,0|3,0,0]=4 1405 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,0,0,0,0,0|3,0,0]=4 1406 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,0,0,0,0,0|3,0,0]=4 1407 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 1408 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,0,0,0,0,0|3,0,0]=4 1409 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,0,0,0,0|2,0,0]=3 1410 B10R1.176 CSc1ccc(c(n1)C)O 62a_100010233687_200000210301 [1,0,0,0,0,0|3,0,0]=4 1411 B10R1.176 CSc1ccc(c(n1)C)O 62a_200000210301_100010233687 [1,0,0,0,0,0|3,0,0]=4 1412 B10R1.176 CSc1cnc(c(c1)C)O 271570a_203496583355_203440288091 [1,0,0,0,0,0|3,0,0]=4 1413 B10R1.176 CSc1cnc(c(c1)C)O 62a_100000685391_200000210301 [1,0,0,0,0,0|3,0,0]=4 1414 B10R1.176 CSc1cnc(c(c1)C)O 62a_200000210301_100000685391 [1,0,0,0,0,0|3,0,0]=4 1415 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1416 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1417 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,0,0,0,0,0|3,0,0]=4 1418 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1419 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,0,0,0,0,0|3,0,0]=4 1420 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,0,0,0,0,0|3,0,0]=4 1421 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,0,0,0,0,0|3,0,0]=4 1422 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1423 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1424 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,0,0,0,0,0|3,0,0]=4 1425 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,0,0,0,0,0|3,0,0]=4 1426 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,0,0,0,0,0|3,0,0]=4 1427 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,0,0,0,0,0|3,0,0]=4 1428 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,0,0,0,0,0|3,0,0]=4 1429 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1430 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1431 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,0,0,0,0,0|3,0,0]=4 1432 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,0,0,0,0,0|3,0,0]=4 1433 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,0,0,0,0,0|3,0,0]=4 1434 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,0,0,0,0,0|3,0,0]=4 1435 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,0,0,0,0,0|3,0,0]=4 1436 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,0,0,0,0,0|3,0,0]=4 1437 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,0,0,0,0,0|3,0,0]=4 1438 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,0,0,0,0,0|3,0,0]=4 1439 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,0,0,0,0,0|3,0,0]=4 1440 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,0,0,0,0,0|3,0,0]=4 1441 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,0,0,0,0,0|3,0,0]=4 1442 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,0,0,0,0,0|3,0,0]=4 1443 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,0,0,0,0,0|3,0,0]=4 1444 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,0,0,0,0,0|1,0,1]=3 1445 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,0,0,0,0,0|0,0,0]=1 1446 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,0,0,0,0,0|1,0,1]=3 1447 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,0,0,0,0,0|0,0,2]=3 1448 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,0,0,0,0,0|2,0,0]=3 1449 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,0,0,0,0|2,0,0]=3 1450 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,0,0,0,0|2,0,0]=3 1451 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,0,0,0,0|2,0,0]=3 1452 B10R1.176 Cc1cc(cnc1O)C#N 271570a_203496583355_100000719225 [1,0,0,0,0,0|2,0,1]=4 1453 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,0,0,0,0,0|1,0,0]=2 1454 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [1,0,0,0,0,0|1,0,2]=4 1455 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_100000685391_200025704644 [1,0,0,0,0,0|3,0,0]=4 1456 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_200025704644_100000685391 [1,0,0,0,0,0|3,0,0]=4 1457 B10R1.176 Cc1cc(ncc1O)C#N 271570a_203496583355_100009818022 [1,0,0,0,0,0|2,0,1]=4 1458 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,0,0,0,0,0|1,0,0]=2 1459 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [1,0,0,0,0,0|1,0,2]=4 1460 B10R1.176 Cc1cc(ncc1O)NN 271570a_203496583355_100012357568 [1,0,0,0,0,0|3,0,0]=4 1461 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [1,0,0,0,0,0|3,0,0]=4 1462 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1463 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1464 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,0,0,0,0,0|3,0,0]=4 1465 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,0,0,0,0,0|3,0,0]=4 1466 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,0,0,0,0,0|3,0,0]=4 1467 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,0,0,0,0,0|3,0,0]=4 1468 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,0,0,0,0,0|3,0,0]=4 1469 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,0,0,0,0|2,0,1]=4 1470 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,0,0,0,0|1,0,0]=2 1471 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,0,0,0,0|1,0,2]=4 1472 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,0,0,0,0|3,0,0]=4 1473 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 1474 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 1475 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,0,0,0,0|3,0,0]=4 1476 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,0,0,0,0|3,0,0]=4 1477 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,0,0,0,0,0|2,0,0]=3 1478 B10R1.176 Cc1nc(ccc1O)C#N 271570a_203496583355_100009884075 [1,0,0,0,0,0|2,0,1]=4 1479 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,0,0,0,0,0|1,0,0]=2 1480 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [1,0,0,0,0,0|1,0,2]=4 1481 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_100010233687_200025704644 [1,0,0,0,0,0|3,0,0]=4 1482 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_200025704644_100010233687 [1,0,0,0,0,0|3,0,0]=4 1483 B10R1.176 N#Cc1cc(c(cn1)O)O 271570a_203496583355_100016221821 [1,0,0,0,0,0|2,0,1]=4 1484 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,0,0,0,0,0|2,0,1]=4 1485 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,0,0,0,0,0|2,0,1]=4 1486 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,0,0,0,0,0|2,0,1]=4 1487 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,0,0,0,0,0|2,0,1]=4 1488 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,0,0,0,0,0|2,0,1]=4 1489 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,0,0,0,0,0|2,0,1]=4 1490 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,0,0,0,0,0|2,0,1]=4 1491 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,0,0,0,0,0|2,0,1]=4 1492 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,0,0,0,0|1,0,1]=3 1493 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,0,0,0,0|1,0,1]=3 1494 B10R1.176 N#Cc1ccc(c(n1)O)O 271570a_203496583355_200011068624 [1,0,0,0,0,0|2,0,1]=4 1495 B10R1.176 N#Cc1cnc(c(c1)O)O 271570a_203496583355_100009819929 [1,0,0,0,0,0|2,0,1]=4 1496 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,0,0,0,0,0|2,0,1]=4 1497 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,0,0,0,0,0|2,0,1]=4 1498 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,0,0,0,0,0|3,0,0]=4 1499 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,0,0,0,0,0|3,0,0]=4 1500 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,0,0,0,0,0|1,0,2]=4 1501 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,0,0,0,0,0|2,0,0]=3 1502 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,0,0,0,0,0|1,0,0]=2 1503 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,0,0,0,0|1,0,0]=2 1504 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,0,0,0,0|1,0,0]=2 1505 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,0,0,0,0|1,0,0]=2 1506 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,0,0,0,0|0,0,0]=1 1507 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,0,0,0,0|0,0,0]=1 1508 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,0,0,0,0,0|2,0,0]=3 1509 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,0,0,0,0,0|1,0,0]=2 1510 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,0,0,0,0,0|1,0,2]=4 1511 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,0,0,0,0,0|1,0,2]=4 1512 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,0,0,0,0,0|1,0,2]=4 1513 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,0,0,0,0|0,0,2]=3 1514 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,0,0,0,0|0,0,2]=3 1515 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,0,0,0,0,0|1,0,2]=4 1516 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 1517 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 1518 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 1519 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 1520 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,0,0,0,0,0|3,0,0]=4 1521 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 1522 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 1523 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,0,0,0,0|2,0,0]=3 1524 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,0,0,0,0,0|3,0,0]=4 1525 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,0,0,0,0,0|3,0,0]=4 1526 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,0,0,0,0,0|3,0,0]=4 1527 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,0,0,0,0,0|3,0,0]=4 1528 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,0,0,0,0,0|3,0,0]=4 1529 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,0,0,0,0,0|3,0,0]=4 1530 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 1531 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,0,0,0,0,0|3,0,0]=4 1532 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,0,0,0,0,0|3,0,0]=4 1533 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,0,0,0,0,0|3,0,0]=4 1534 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,0,0,0,0,0|3,0,0]=4 1535 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,0,0,0,0,0|3,0,0]=4 1536 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,0,0,0,0,0|3,0,0]=4 1537 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,0,0,0,0,0|3,0,0]=4 1538 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 1539 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,0,0,0,0,0|3,0,0]=4 1540 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,0,0,0,0|2,0,0]=3 1541 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,1,0,0,0,0|2,0,1]=4 1542 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,1,0,0,0,0|2,0,1]=4 1543 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,1,0,0,0,0|2,0,1]=4 1544 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,0,0,0,0|2,0,0]=3 1553 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,1,0,0,0,0|2,0,0]=3 1559 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,1,0,0,0,0|2,0,0]=3 1560 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,1,0,0,0,0|2,0,0]=3 1561 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,1,0,0,0,0|2,0,0]=3 1562 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,1,0,0,0,0|2,0,0]=3 1563 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,0,0|1,0,0]=2 1564 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [0,1,0,0,0,0|2,1,0]=4 1565 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,1,0,0,0,0|2,0,0]=3 1567 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [0,1,0,0,0,0|3,0,0]=4 1569 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.56 C=C(C)c1cnc(c(n1)OC)O 271570a_100000694244_200010365344 [0,1,0,0,0,0|3,0,0]=4 1571 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,1,0,0,0,0|2,0,1]=4 1572 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,1,0,0,0,0|2,0,1]=4 1573 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,1,0,0,0,0|2,0,1]=4 1574 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,1,0,0,0,0|2,0,1]=4 1575 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,1,0,0,0,0|2,0,1]=4 1576 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,1,0,0,0,0|2,0,1]=4 1577 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,0,0,0,0|1,0,1]=3 1578 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,1,0,0,0,0|3,0,0]=4 1579 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,1,0,0,0,0|3,0,0]=4 1580 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,0,0,0,0|2,0,0]=3 1582 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,0,0,0,0|2,0,0]=3 1583 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,1,0,0,0,0|3,0,0]=4 1584 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,1,0,0,0,0|3,0,0]=4 1585 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,0|1,0,0]=2 1586 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,0|1,0,0]=2 1587 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,0|1,0,0]=2 1588 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,0|1,0,0]=2 1589 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,1,0,0,0,0|1,1,0]=3 1590 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,1,0,0,0,0|1,1,0]=3 1591 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,1,0,0,0,0|1,1,0]=3 1592 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,1,0,0,0,0|1,1,0]=3 1593 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,1,0,0,0,0|1,1,0]=3 1594 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,1,0,0,0,0|1,1,0]=3 1595 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,1,0,0,0,0|1,1,0]=3 1596 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,0|0,1,0]=2 1597 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200010135287_200025704644 [0,1,0,0,0,0|2,1,0]=4 1598 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_200010135287 [0,1,0,0,0,0|2,1,0]=4 1599 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [0,1,0,0,0,0|2,0,1]=4 1600 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [0,1,0,0,0,0|2,0,1]=4 1601 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,1,0,0,0,0|2,0,0]=3 1602 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,1,0,0,0,0|2,0,0]=3 1603 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,1,0,0,0,0|2,0,0]=3 1604 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,1,0,0,0,0|2,0,0]=3 1605 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,1,0,0,0,0|2,0,0]=3 1606 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,1,0,0,0,0|2,0,0]=3 1607 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,1,0,0,0,0|2,0,0]=3 1608 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,1,0,0,0,0|2,0,0]=3 1609 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,1,0,0,0,0|3,0,0]=4 1611 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,1,0,0,0,0|2,0,0]=3 1612 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,1,0,0,0,0|2,0,0]=3 1614 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,1,0,0,0,0|3,0,0]=4 1615 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [0,1,0,0,0,0|2,0,1]=4 1616 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [0,1,0,0,0,0|2,0,1]=4 1617 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|2,0,0]=3 1618 B12R1.56 CNc1cc(cnc1F)C(=O)C 27a_100102657272_200010135287 [0,1,0,0,0,0|3,0,0]=4 1619 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,0|1,0,0]=2 1620 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,0,0|1,0,0]=2 1621 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,0,0|1,0,0]=2 1622 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,0|1,0,0]=2 1623 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,0,0,0,0|2,0,0]=3 1624 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,0,0,0,0|2,0,0]=3 1625 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,0|1,0,0]=2 1626 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,0|1,0,0]=2 1627 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,0|1,0,0]=2 1628 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,0|1,0,0]=2 1629 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,1,0,0,0,0|2,0,1]=4 1630 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,1,0,0,0,0|2,0,1]=4 1631 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,0,0,0,0|2,0,0]=3 1632 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,0,0,0,0|2,0,0]=3 1633 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,0|1,0,0]=2 1634 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,0|1,0,0]=2 1635 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,0,0,0,0|2,0,0]=3 1636 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,0,0,0,0|2,0,0]=3 1637 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,0|1,0,0]=2 1638 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,0|1,0,0]=2 1639 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,0|1,0,0]=2 1640 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,0|1,0,0]=2 1641 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1647 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1648 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,0,0,0,0|2,0,0]=3 1650 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,0,0,0,0|2,0,0]=3 1651 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,0|1,0,0]=2 1652 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,0|1,0,0]=2 1653 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,0,0,0,0|2,0,0]=3 1654 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,0,0,0,0|2,0,0]=3 1655 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,0,0|1,0,0]=2 1656 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,0,0|1,0,0]=2 1657 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,0,0,0,0|2,0,0]=3 1658 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,0,0,0,0|2,0,0]=3 1659 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,0,0|1,0,1]=3 1660 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,0|0,0,0]=1 1661 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,0|0,0,0]=1 1662 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,0,0|0,0,0]=1 1663 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,0|0,0,0]=1 1664 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,0,0,0,0|1,0,1]=3 1665 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200000210301 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200000210301 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200000210301 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200000210301 [0,1,0,0,0,0|3,0,0]=4 1669 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,1,0,0,0,0|2,0,1]=4 1670 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,1,0,0,0,0|1,1,0]=3 1671 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,1,0,0,0,0|1,1,0]=3 1672 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,1,0,0,0,0|1,1,0]=3 1673 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,1,0,0,0,0|1,1,0]=3 1674 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,1,0,0,0,0|1,1,0]=3 1675 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,1,0,0,0,0|1,1,0]=3 1676 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,1,0,0,0,0|1,1,0]=3 1677 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,1,0,0,0,0|1,1,0]=3 1678 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,1,0,0,0,0|1,1,0]=3 1679 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,1,0,0,0,0|1,1,0]=3 1680 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,1,0,0,0,0|1,1,0]=3 1681 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,0|0,1,0]=2 1682 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200000210301_200010135287 [0,1,0,0,0,0|2,1,0]=4 1683 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200010135287_200000210301 [0,1,0,0,0,0|2,1,0]=4 1684 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,1,0,0,0,0|2,0,0]=3 1685 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,1,0,0,0,0|2,0,0]=3 1686 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,1,0,0,0,0|3,0,0]=4 1687 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,1,0,0,0,0|3,0,0]=4 1688 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,1,0,0,0,0|2,0,1]=4 1689 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,1,0,0,0,0|2,0,1]=4 1690 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,0,0,0,0|2,0,0]=3 1691 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,0,0,0,0|2,0,0]=3 1692 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,1,0,0,0,0|1,1,0]=3 1693 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,1,0,0,0,0|1,1,0]=3 1694 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,1,0,0,0,0|3,0,0]=4 1695 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,1,0,0,0,0|3,0,0]=4 1696 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,1,0,0,0,0|3,0,0]=4 1697 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,0,0,0,0|2,0,0]=3 1698 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,1,0,0,0,0|3,0,0]=4 1699 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,1,0,0,0,0|3,0,0]=4 1700 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,1,0,0,0,0|2,0,0]=3 1701 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,1,0,0,0,0|2,0,0]=3 1703 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,1,0,0,0,0|3,0,0]=4 1704 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|2,0,0]=3 1705 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,0,0|1,0,0]=2 1706 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,0,0|1,0,0]=2 1707 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,0,0,0,0|2,0,0]=3 1708 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,0,0,0,0|2,0,0]=3 1709 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,0,0,0,0|2,0,0]=3 1710 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,0,0,0,0|2,0,0]=3 1711 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,0,0,0,0|2,0,0]=3 1712 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,0,0,0,0|2,0,0]=3 1713 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,0,0,0,0|2,0,0]=3 1714 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,0,0,0,0|2,0,0]=3 1715 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,0,0|1,0,0]=2 1716 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,0,0|1,0,0]=2 1717 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,0,0,0,0|2,0,0]=3 1718 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,0,0,0,0|2,0,0]=3 1719 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200025704644 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200025704644 [0,1,0,0,0,0|3,0,0]=4 1721 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200025704644 [0,1,0,0,0,0|3,0,0]=4 1722 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200025704644 [0,1,0,0,0,0|3,0,0]=4 1723 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,1,0,0,0,0|1,1,0]=3 1724 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,1,0,0,0,0|1,1,0]=3 1725 B12R1.78 C=Cc1cc(c(cn1)C#N)OC 271570a_100011290941_100009830018 [0,1,0,0,0,0|3,0,0]=4 1726 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [0,1,0,0,0,0|2,0,0]=3 1727 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [0,1,0,0,0,0|3,0,0]=4 1728 B12R1.78 C=Cc1cc(ccc1C#N)C=O 271570a_100011290941_100012355660 [0,1,0,0,0,0|2,0,1]=4 1729 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,1,0,0,0,0|1,0,2]=4 1730 B12R1.78 C=Cc1cc(ccc1NC)C=O 271570a_100011290941_200010290468 [0,1,0,0,0,0|2,0,1]=4 1731 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,1,0,0,0,0|1,0,1]=3 1732 B12R1.78 C=Cc1cc(cnc1OC)C=O 271570a_100011290941_200010064893 [0,1,0,0,0,0|2,0,1]=4 1733 B12R1.78 C=Cc1cc(ncc1OC)C=O 271570a_100011290941_100010893078 [0,1,0,0,0,0|2,0,1]=4 1734 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,1,0,0,0,0|3,0,0]=4 1735 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,1,0,0,0,0|3,0,0]=4 1736 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [0,1,0,0,0,0|2,0,1]=4 1737 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [0,1,0,0,0,0|3,0,0]=4 1738 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,1,0,0,0,0|2,0,0]=3 1739 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.78 C=Cc1ccc(c(c1)CO)CO 271570a_100011290941_100000719600 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.78 C=Cc1ccc(c(c1)NC)C#N 271570a_100011290941_200012356631 [0,1,0,0,0,0|3,0,0]=4 1743 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,1,0,0,0,0|2,0,0]=3 1744 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,1,0,0,0,0|1,0,1]=3 1745 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,1,0,0,0,0|2,0,0]=3 1746 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,1,0,0,0,0|1,0,0]=2 1747 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,1,0,0,0,0|1,0,0]=2 1748 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,1,0,0,0,0|1,0,0]=2 1749 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,1,0,0,0,0|1,0,0]=2 1750 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,1,0,0,0,0|1,1,0]=3 1751 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,1,0,0,0,0|1,1,0]=3 1752 B12R1.78 C=Cc1ccc(c(n1)OC)C#N 271570a_100011290941_100000708423 [0,1,0,0,0,0|3,0,0]=4 1753 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [0,1,0,0,0,0|2,0,1]=4 1754 B12R1.78 C=Cc1ccc(c(n1)OC)CN 271570a_100011290941_100015687481 [0,1,0,0,0,0|3,0,0]=4 1755 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [0,1,0,0,0,0|2,0,0]=3 1756 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [0,1,0,0,0,0|2,0,0]=3 1757 B12R1.78 C=Cc1ccc(cc1C#N)C=O 271570a_100011290941_100010128726 [0,1,0,0,0,0|3,0,0]=4 1758 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,1,0,0,0,0|2,0,1]=4 1760 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,1,0,0,0,0|1,0,0]=2 1761 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,1,0,0,0,0|2,0,1]=4 1762 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,1,0,0,0,0|1,0,2]=4 1763 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.78 C=Cc1cnc(c(c1)OC)C#N 271570a_100011290941_100000719880 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [0,1,0,0,0,0|2,0,1]=4 1766 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [0,1,0,0,0,0|2,0,0]=3 1767 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [0,1,0,0,0,0|2,0,0]=3 1768 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.78 C=Cc1nc(ccc1OC)C=O 271570a_100011290941_100010174741 [0,1,0,0,0,0|2,0,1]=4 1770 B12R1.78 C=Cc1ncc(c(n1)OC)CO 271570a_100011290941_200011024631 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,1,0,0,0,0|2,0,1]=4 1777 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,1,0,0,0,0|2,0,1]=4 1778 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,1,0,0,0,0|2,0,1]=4 1779 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,1,0,0,0,0|2,0,1]=4 1780 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,1,0,0,0,0|1,0,1]=3 1781 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,1,0,0,0,0|1,0,1]=3 1782 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,1,0,0,0,0|1,0,1]=3 1783 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,1,0,0,0,0|1,0,1]=3 1784 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,1,0,0,0,0|1,0,1]=3 1785 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,1,0,0,0,0|1,0,1]=3 1786 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,1,0,0,0,0|1,1,1]=4 1787 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,1,0,0,0,0|1,1,1]=4 1788 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,1,0,0,0,0|1,1,1]=4 1789 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,1,0,0,0,0|1,1,1]=4 1790 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,1,0,0,0,0|1,0,1]=3 1791 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,1,0,0,0,0|1,0,1]=3 1792 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,1,0,0,0,0|1,1,1]=4 1793 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,1,0,0,0,0|1,1,1]=4 1794 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,1,0,0,0,0|1,1,1]=4 1795 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,1,0,0,0,0|1,1,1]=4 1796 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,1,0,0,0,0|3,0,0]=4 1798 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,1,0,0,0,0|3,0,0]=4 1799 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,1,0,0,0,0|3,0,0]=4 1800 B12R1.78 CNc1cc(ccc1CO)OC 34a_100011998734_200000210301 [0,1,0,0,0,0|3,0,0]=4 1801 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1802 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [0,1,0,0,0,0|2,0,1]=4 1803 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [0,1,0,0,0,0|1,0,2]=4 1804 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [0,1,0,0,0,0|1,0,2]=4 1805 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 1806 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,1,0,0,0,0|3,0,0]=4 1807 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,1,0,0,0,0|3,0,0]=4 1808 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,1,0,0,0,0|2,0,0]=3 1809 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,1,0,0,0,0|2,0,0]=3 1810 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,1,0,0,0,0|2,1,0]=4 1811 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,1,0,0,0,0|2,1,0]=4 1812 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,1,0,0,0,0|2,1,0]=4 1813 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,1,0,0,0,0|2,1,0]=4 1814 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,1,0,0,0,0|2,0,1]=4 1815 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,1,0,0,0,0|1,0,2]=4 1816 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,1,0,0,0,0|1,0,2]=4 1817 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1818 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1819 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,1,0,0,0,0|3,0,0]=4 1820 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,1,0,0,0,0|3,0,0]=4 1821 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [0,1,0,0,0,0|1,1,0]=3 1822 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [0,1,0,0,0,0|1,1,0]=3 1823 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [0,1,0,0,0,0|1,1,0]=3 1824 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [0,1,0,0,0,0|1,1,0]=3 1825 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,1,0,0,0,0|3,0,0]=4 1826 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,1,0,0,0,0|3,0,0]=4 1827 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,1,0,0,0,0|3,0,0]=4 1828 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,1,0,0,0,0|2,0,1]=4 1829 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,1,0,0,0,0|2,0,1]=4 1830 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,1,0,0,0,0|2,0,1]=4 1831 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,1,0,0,0,0|2,0,1]=4 1832 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,1,0,0,0,0|0,0,2]=3 1833 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,1,0,0,0,0|2,0,0]=3 1834 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,1,0,0,0,0|2,0,0]=3 1835 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,1,0,0,0,0|2,0,0]=3 1836 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,1,0,0,0,0|2,0,0]=3 1837 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,1,0,0,0,0|2,0,0]=3 1838 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,1,0,0,0,0|2,0,0]=3 1839 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,1,0,0,0,0|2,0,1]=4 1840 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,1,0,0,0,0|1,0,2]=4 1841 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,1,0,0,0,0|1,0,2]=4 1842 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,1,0,0,0,0|3,0,0]=4 1843 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,1,0,0,0,0|3,0,0]=4 1844 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1845 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,1,0,0,0,0|1,0,1]=3 1846 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,1,0,0,0,0|1,0,1]=3 1847 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,1,0,0,0,0|1,1,1]=4 1848 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,1,0,0,0,0|0,1,0]=2 1849 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,1,0,0,0,0|0,1,0]=2 1850 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,1,0,0,0,0|0,1,2]=4 1851 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,1,0,0,0,0|0,1,2]=4 1852 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,1,0,0,0,0|2,1,0]=4 1853 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,1,0,0,0,0|2,1,0]=4 1854 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,1,0,0,0,0|1,1,1]=4 1855 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,1,0,0,0,0|0,1,0]=2 1856 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,1,0,0,0,0|0,1,0]=2 1857 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,1,0,0,0,0|0,1,2]=4 1858 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,1,0,0,0,0|0,1,2]=4 1859 B12R1.78 COc1cc(cnc1CO)SC 62a_200000210301_200010246159 [0,1,0,0,0,0|3,0,0]=4 1860 B12R1.78 COc1cc(cnc1CO)SC 62a_200010246159_200000210301 [0,1,0,0,0,0|3,0,0]=4 1861 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200010246159_200025704644 [0,1,0,0,0,0|3,0,0]=4 1862 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200025704644_200010246159 [0,1,0,0,0,0|3,0,0]=4 1863 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [0,1,0,0,0,0|3,0,0]=4 1864 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [0,1,0,0,0,0|3,0,0]=4 1865 B12R1.78 COc1cc(ncc1CO)SC 62a_100010714672_200000210301 [0,1,0,0,0,0|3,0,0]=4 1866 B12R1.78 COc1cc(ncc1CO)SC 62a_200000210301_100010714672 [0,1,0,0,0,0|3,0,0]=4 1867 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_100010714672_200025704644 [0,1,0,0,0,0|3,0,0]=4 1868 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010714672 [0,1,0,0,0,0|3,0,0]=4 1869 B12R1.78 COc1ccc(c(c1)N[13CH3])CO 34a_100011998734_200025704644 [0,1,0,0,0,0|3,0,0]=4 1870 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 1871 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,1,0,0,0,0|3,0,0]=4 1872 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,1,0,0,0,0|3,0,0]=4 1873 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,1,0,0,0,0|3,0,0]=4 1874 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,1,0,0,0,0|2,0,0]=3 1875 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,1,0,0,0,0|2,0,1]=4 1876 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,1,0,0,0,0|2,0,1]=4 1877 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1878 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1879 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,1,0,0,0,0|2,0,0]=3 1880 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,1,0,0,0,0|2,0,0]=3 1881 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,1,0,0,0,0|2,0,0]=3 1882 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,1,0,0,0,0|2,0,0]=3 1883 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,1,0,0,0,0|2,1,0]=4 1884 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,1,0,0,0,0|2,1,0]=4 1885 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,1,0,0,0,0|2,1,0]=4 1886 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,1,0,0,0,0|2,1,0]=4 1887 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,1,0,0,0,0|3,0,0]=4 1888 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,1,0,0,0,0|3,0,0]=4 1889 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,1,0,0,0,0|2,0,1]=4 1890 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,1,0,0,0,0|2,0,1]=4 1891 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,1,0,0,0,0|2,0,0]=3 1892 B12R1.78 COc1ccc(c(c1)SC)CO 62a_100011982768_200000210301 [0,1,0,0,0,0|2,1,0]=4 1893 B12R1.78 COc1ccc(c(c1)SC)CO 62a_200000210301_100011982768 [0,1,0,0,0,0|2,1,0]=4 1894 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,1,0,0,0,0|2,1,0]=4 1895 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,1,0,0,0,0|2,1,0]=4 1896 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_100011982768_200025704644 [0,1,0,0,0,0|2,1,0]=4 1897 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_200025704644_100011982768 [0,1,0,0,0,0|2,1,0]=4 1898 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,1,0,0,0,0|2,1,0]=4 1899 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,1,0,0,0,0|2,1,0]=4 1900 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,1,0,0,0,0|3,0,0]=4 1901 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,1,0,0,0,0|3,0,0]=4 1902 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1903 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [0,1,0,0,0,0|2,0,1]=4 1904 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [0,1,0,0,0,0|1,0,2]=4 1905 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [0,1,0,0,0,0|1,0,2]=4 1906 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1907 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,1,0,0,0,0|1,0,1]=3 1908 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,1,0,0,0,0|1,0,1]=3 1909 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,1,0,0,0,0|1,0,1]=3 1910 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,1,0,0,0,0|1,0,1]=3 1911 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,1,0,0,0,0|1,0,1]=3 1912 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,1,0,0,0,0|0,0,2]=3 1913 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,1,0,0,0,0|2,0,0]=3 1914 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,1,0,0,0,0|2,0,0]=3 1915 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,1,0,0,0,0|2,0,0]=3 1916 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,1,0,0,0,0|2,0,0]=3 1917 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,1,0,0,0,0|1,0,1]=3 1918 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,1,0,0,0,0|1,0,1]=3 1919 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,1,0,0,0,0|1,0,1]=3 1920 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,1,0,0,0,0|0,0,2]=3 1921 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [0,1,0,0,0,0|1,1,1]=4 1922 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,1,0,0,0,0|0,1,0]=2 1923 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,1,0,0,0,0|0,1,0]=2 1924 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [0,1,0,0,0,0|1,1,1]=4 1925 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [0,1,0,0,0,0|1,1,1]=4 1926 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [0,1,0,0,0,0|0,1,2]=4 1927 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [0,1,0,0,0,0|0,1,2]=4 1928 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,1,0,0,0,0|2,1,0]=4 1929 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,1,0,0,0,0|2,1,0]=4 1930 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [0,1,0,0,0,0|1,1,1]=4 1931 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,1,0,0,0,0|0,1,0]=2 1932 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,1,0,0,0,0|0,1,0]=2 1933 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [0,1,0,0,0,0|1,1,1]=4 1934 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [0,1,0,0,0,0|1,1,1]=4 1935 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [0,1,0,0,0,0|0,1,2]=4 1936 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [0,1,0,0,0,0|0,1,2]=4 1937 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [0,1,0,0,0,0|3,0,0]=4 1938 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [0,1,0,0,0,0|3,0,0]=4 1939 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,1,0,0,0,0|1,1,0]=3 1940 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,1,0,0,0,0|1,1,0]=3 1941 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,1,0,0,0,0|1,1,0]=3 1942 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,1,0,0,0,0|1,1,0]=3 1943 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [0,1,0,0,0,0|1,1,0]=3 1944 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [0,1,0,0,0,0|1,1,0]=3 1945 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [0,1,0,0,0,0|1,1,0]=3 1946 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [0,1,0,0,0,0|1,1,0]=3 1947 B12R1.78 COc1nc(ccc1CO)SC 62a_100010988397_200000210301 [0,1,0,0,0,0|3,0,0]=4 1948 B12R1.78 COc1nc(ccc1CO)SC 62a_200000210301_100010988397 [0,1,0,0,0,0|3,0,0]=4 1949 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_100010988397_200025704644 [0,1,0,0,0,0|3,0,0]=4 1950 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_200025704644_100010988397 [0,1,0,0,0,0|3,0,0]=4 1951 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,1,0,0,0,0|1,1,0]=3 1952 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,1,0,0,0,0|1,1,0]=3 1953 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,1,0,0,0,0|1,1,0]=3 1954 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,1,0,0,0,0|1,1,0]=3 1955 B12R1.78 CSc1cc(ccc1C#N)C=O 62a_200000210301_100012355660 [0,1,0,0,0,0|1,1,0]=3 1956 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [0,1,0,0,0,0|0,1,1]=3 1957 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [0,1,0,0,0,0|0,1,1]=3 1958 B12R1.78 CSc1cc(ccc1CO)C#N 62a_200000210301_100010214422 [0,1,0,0,0,0|1,1,1]=4 1959 B12R1.78 CSc1cc(ccc1CO)CO 62a_100010881536_200000210301 [0,1,0,0,0,0|0,1,2]=4 1960 B12R1.78 CSc1cc(ccc1CO)CO 62a_200000210301_100010881536 [0,1,0,0,0,0|0,1,2]=4 1961 B12R1.78 CSc1ccc(cc1C#N)C=O 62a_200000210301_100010128726 [0,1,0,0,0,0|2,1,0]=4 1962 B12R1.78 CSc1ccc(cc1CO)C=O 62a_100015639582_200000210301 [0,1,0,0,0,0|2,1,0]=4 1963 B12R1.78 CSc1ccc(cc1CO)C=O 62a_200000210301_100015639582 [0,1,0,0,0,0|2,1,0]=4 1964 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,1,0,0,0,0|0,0,2]=3 1965 B12R1.78 [13CH3]Sc1cc(ccc1C#N)C=O 62a_200025704644_100012355660 [0,1,0,0,0,0|1,1,0]=3 1966 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [0,1,0,0,0,0|0,1,1]=3 1967 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [0,1,0,0,0,0|0,1,1]=3 1968 B12R1.78 [13CH3]Sc1cc(ccc1CO)C#N 62a_200025704644_100010214422 [0,1,0,0,0,0|1,1,1]=4 1969 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_100010881536_200025704644 [0,1,0,0,0,0|0,1,2]=4 1970 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_200025704644_100010881536 [0,1,0,0,0,0|0,1,2]=4 1971 B12R1.78 [13CH3]Sc1ccc(cc1C#N)C=O 62a_200025704644_100010128726 [0,1,0,0,0,0|2,1,0]=4 1972 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_100015639582_200025704644 [0,1,0,0,0,0|2,1,0]=4 1973 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_200025704644_100015639582 [0,1,0,0,0,0|2,1,0]=4 1974 B12R1.270 C=C=Cc1cc(ccc1Br)C=O 271570a_100015277604_100010146563 [0,1,0,0,0,0|2,0,1]=4 1975 B12R1.270 C=C=Cc1cc(ccc1C)C=O 271570a_100015277604_100000695567 [0,1,0,0,0,0|2,0,1]=4 1976 B12R1.270 C=C=Cc1cc(ccc1Cl)C=O 271570a_100015277604_100010209939 [0,1,0,0,0,0|2,0,1]=4 1977 B12R1.270 C=C=Cc1cc(ccc1F)C=O 271570a_100015277604_100000211747 [0,1,0,0,0,0|2,0,1]=4 1978 B12R1.270 C=C=Cc1cc(ccc1O)C=O 271570a_100015277604_100000184552 [0,1,0,0,0,0|1,0,1]=3 1979 B12R1.270 C=C=Cc1cc(cnc1O)C=O 271570a_100015277604_100010064886 [0,1,0,0,0,0|2,0,1]=4 1980 B12R1.270 C=Cc1cc(c(cn1)N)OCC 271570a_100011290941_100015764953 [0,1,0,0,0,0|3,0,0]=4 1981 B12R1.270 C=Cc1ccc(c(c1)CNC)C 271570a_100011290941_106744473289 [0,1,0,0,0,0|3,0,0]=4 1982 B12R1.270 C=Cc1ccc(c(c1)CNC)F 271570a_100011290941_100000748472 [0,1,0,0,0,0|3,0,0]=4 1983 B12R1.270 C=Cc1ccc(c(c1)CNC)O 271570a_100011290941_100011602694 [0,1,0,0,0,0|2,0,0]=3 1984 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [0,1,0,0,0,0|2,0,0]=3 1985 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [0,1,0,0,0,0|2,0,0]=3 1986 B12R1.270 C=Cc1ccc(c(c1)NCC)N 271570a_100011290941_100000696630 [0,1,0,0,0,0|3,0,0]=4 1987 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [0,1,0,0,0,0|2,0,0]=3 1988 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [0,1,0,0,0,0|2,0,0]=3 1989 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [0,1,0,0,0,0|2,0,0]=3 1990 B12R1.270 C=Cc1cnc(c(c1)OCC)F 271570a_100011290941_100010732568 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [0,1,0,0,0,0|2,0,0]=3 1992 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [0,1,0,0,0,0|2,0,0]=3 1993 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [0,1,0,0,0,0|2,0,0]=3 1994 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [0,1,0,0,0,0|2,0,0]=3 1995 B12R1.270 CC=Cc1cc(ccc1O)C#N 271570a_100016259895_100000725478 [0,1,0,0,0,0|2,0,1]=4 1996 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [0,1,0,0,0,0|1,0,0]=2 1997 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [0,1,0,0,0,0|2,0,1]=4 1998 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [0,1,0,0,0,0|1,0,2]=4 1999 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,1,0,0,0,0|3,0,0]=4 2000 B12R1.270 CC=Cc1cc(cnc1N)C=O 271570a_100016259895_100010064899 [0,1,0,0,0,0|3,0,0]=4 2001 B12R1.270 CC=Cc1cc(cnc1O)C=O 271570a_100016259895_100010064886 [0,1,0,0,0,0|2,0,0]=3 2002 B12R1.270 CC=Cc1cc(ncc1C)C=O 271570a_100016259895_100010174032 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.270 CCNc1cc(ccc1O)C#N 34a_100000766272_100000210202 [0,1,0,0,0,0|2,0,1]=4 2004 B12R1.270 CCNc1cc(ccc1O)C#N 7a_100000766272_100000210202 [0,1,0,0,0,0|2,0,1]=4 2005 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [0,1,0,0,0,0|2,0,1]=4 2006 B12R1.270 CCNc1cc(ccc1O)CO 34a_100000123545_100000210202 [0,1,0,0,0,0|1,0,2]=4 2007 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [0,1,0,0,0,0|3,0,0]=4 2008 B12R1.270 CCOc1cc(ccc1Br)C#N 34a_100009877741_100000210202 [0,1,0,0,0,0|2,0,1]=4 2009 B12R1.270 CCOc1cc(ccc1Br)C#N 7a_100009877741_100000210202 [0,1,0,0,0,0|2,0,1]=4 2010 B12R1.270 CCOc1cc(ccc1Br)CO 34a_100010191536_100000210202 [0,1,0,0,0,0|1,0,2]=4 2011 B12R1.270 CCOc1cc(ccc1Br)CO 7a_100010191536_100000210202 [0,1,0,0,0,0|1,0,2]=4 2012 B12R1.270 CCOc1cc(ccc1Br)NC 2230a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.270 CCOc1cc(ccc1Br)NC 34a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 2014 B12R1.270 CCOc1cc(ccc1Br)NC 7a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 2015 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 2230a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 2016 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 34a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 2017 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 7a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 2018 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [0,1,0,0,0,0|3,0,0]=4 2020 B12R1.270 CCOc1cc(ccc1C)C#N 34a_100000765541_100000210202 [0,1,0,0,0,0|2,0,1]=4 2021 B12R1.270 CCOc1cc(ccc1C)C#N 7a_100000765541_100000210202 [0,1,0,0,0,0|2,0,1]=4 2022 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [0,1,0,0,0,0|3,0,0]=4 2023 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [0,1,0,0,0,0|3,0,0]=4 2024 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [0,1,0,0,0,0|3,0,0]=4 2025 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [0,1,0,0,0,0|3,0,0]=4 2026 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [0,1,0,0,0,0|3,0,0]=4 2027 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [0,1,0,0,0,0|3,0,0]=4 2028 B12R1.270 CCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210202 [0,1,0,0,0,0|2,0,1]=4 2029 B12R1.270 CCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210202 [0,1,0,0,0,0|2,0,1]=4 2030 B12R1.270 CCOc1cc(ccc1Cl)CN 34a_100020636435_100000210202 [0,1,0,0,0,0|2,0,1]=4 2031 B12R1.270 CCOc1cc(ccc1Cl)CO 34a_100009876509_100000210202 [0,1,0,0,0,0|1,0,2]=4 2032 B12R1.270 CCOc1cc(ccc1Cl)CO 7a_100009876509_100000210202 [0,1,0,0,0,0|1,0,2]=4 2033 B12R1.270 CCOc1cc(ccc1Cl)NC 2230a_100011964961_200000210301 [0,1,0,0,0,0|3,0,0]=4 2034 B12R1.270 CCOc1cc(ccc1Cl)NC 34a_100011964961_200000210301 [0,1,0,0,0,0|3,0,0]=4 2035 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 2230a_100011964961_200025704644 [0,1,0,0,0,0|3,0,0]=4 2036 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 34a_100011964961_200025704644 [0,1,0,0,0,0|3,0,0]=4 2037 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [0,1,0,0,0,0|3,0,0]=4 2038 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [0,1,0,0,0,0|3,0,0]=4 2039 B12R1.270 CCOc1cc(ccc1F)C#N 34a_100000069402_100000210202 [0,1,0,0,0,0|2,0,1]=4 2040 B12R1.270 CCOc1cc(ccc1F)C#N 7a_100000069402_100000210202 [0,1,0,0,0,0|2,0,1]=4 2041 B12R1.270 CCOc1cc(ccc1F)CN 34a_100160469508_100000210202 [0,1,0,0,0,0|2,0,1]=4 2042 B12R1.270 CCOc1cc(ccc1F)CO 34a_100009842347_100000210202 [0,1,0,0,0,0|1,0,2]=4 2043 B12R1.270 CCOc1cc(ccc1F)CO 7a_100009842347_100000210202 [0,1,0,0,0,0|1,0,2]=4 2044 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [0,1,0,0,0,0|3,0,0]=4 2045 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [0,1,0,0,0,0|3,0,0]=4 2046 B12R1.270 CCOc1cc(ccc1F)SC 62a_200000210301_200012344967 [0,1,0,0,0,0|3,0,0]=4 2047 B12R1.270 CCOc1cc(ccc1F)SC 62a_200012344967_200000210301 [0,1,0,0,0,0|3,0,0]=4 2048 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200012344967_200025704644 [0,1,0,0,0,0|3,0,0]=4 2049 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200025704644_200012344967 [0,1,0,0,0,0|3,0,0]=4 2050 B12R1.270 CCOc1cc(ccc1I)C#N 34a_100000724445_100000210202 [0,1,0,0,0,0|2,0,1]=4 2051 B12R1.270 CCOc1cc(ccc1I)C#N 7a_100000724445_100000210202 [0,1,0,0,0,0|2,0,1]=4 2052 B12R1.270 CCOc1cc(ccc1I)CO 34a_100000049605_100000210202 [0,1,0,0,0,0|1,0,2]=4 2053 B12R1.270 CCOc1cc(ccc1I)CO 7a_100000049605_100000210202 [0,1,0,0,0,0|1,0,2]=4 2054 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [0,1,0,0,0,0|3,0,0]=4 2055 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [0,1,0,0,0,0|3,0,0]=4 2056 B12R1.270 CCOc1cc(ccc1N)C#N 34a_100011997735_100000210202 [0,1,0,0,0,0|2,0,1]=4 2057 B12R1.270 CCOc1cc(ccc1N)C#N 7a_100011997735_100000210202 [0,1,0,0,0,0|2,0,1]=4 2058 B12R1.270 CCOc1cc(ccc1N)CC 34a_100000124328_100000210202 [0,1,0,0,0,0|2,0,1]=4 2059 B12R1.270 CCOc1cc(ccc1N)CC 7a_100000124328_100000210202 [0,1,0,0,0,0|2,0,1]=4 2060 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [0,1,0,0,0,0|3,0,0]=4 2061 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [0,1,0,0,0,0|3,0,0]=4 2062 B12R1.270 CCOc1cc(ccc1N)SC 62a_100000688918_200000210301 [0,1,0,0,0,0|3,0,0]=4 2063 B12R1.270 CCOc1cc(ccc1N)S[13CH3] 62a_100000688918_200025704644 [0,1,0,0,0,0|3,0,0]=4 2064 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [0,1,0,0,0,0|0,0,0]=1 2065 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100000210202_100010146563 [0,1,0,0,0,0|1,1,0]=3 2066 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210202 [0,1,0,0,0,0|1,1,0]=3 2067 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000210202_100000695567 [0,1,0,0,0,0|1,1,0]=3 2068 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000695567_100000210202 [0,1,0,0,0,0|1,1,0]=3 2069 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100000210202_100010209939 [0,1,0,0,0,0|1,1,0]=3 2070 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210202 [0,1,0,0,0,0|1,1,0]=3 2071 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000210202_100000211747 [0,1,0,0,0,0|1,1,0]=3 2072 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000211747_100000210202 [0,1,0,0,0,0|1,1,0]=3 2073 B12R1.270 CCSc1cc(ccc1O)C#N 62a_100000210202_100000725478 [0,1,0,0,0,0|1,1,1]=4 2074 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [0,1,0,0,0,0|0,1,0]=2 2075 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [0,1,0,0,0,0|0,1,0]=2 2076 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [0,1,0,0,0,0|1,1,1]=4 2077 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [0,1,0,0,0,0|1,1,1]=4 2078 B12R1.270 CCSc1cc(ccc1O)CO 62a_100000210202_100011191544 [0,1,0,0,0,0|0,1,2]=4 2079 B12R1.270 CCSc1cc(ccc1O)CO 62a_100011191544_100000210202 [0,1,0,0,0,0|0,1,2]=4 2080 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [0,1,0,0,0,0|2,1,0]=4 2081 B12R1.270 CCSc1cc(cnc1N)C=O 62a_100000210202_100010064899 [0,1,0,0,0,0|2,1,0]=4 2082 B12R1.270 CCSc1cc(cnc1N)C=O 62a_100010064899_100000210202 [0,1,0,0,0,0|2,1,0]=4 2083 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100000210202_100010064886 [0,1,0,0,0,0|1,1,0]=3 2084 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100010064886_100000210202 [0,1,0,0,0,0|1,1,0]=3 2085 B12R1.270 CCSc1cc(ncc1C)C=O 62a_100000210202_100010174032 [0,1,0,0,0,0|2,1,0]=4 2086 B12R1.270 CCSc1cc(ncc1C)C=O 62a_100010174032_100000210202 [0,1,0,0,0,0|2,1,0]=4 2087 B12R1.270 CCc1ccc(c(c1)NCF)O 34a_100000765835_100015361967 [0,1,0,0,0,0|2,0,1]=4 2088 B12R1.270 CCc1ccc(c(c1)OCF)N 34a_100000124328_100015361967 [0,1,0,0,0,0|2,0,1]=4 2089 B12R1.270 CCc1ccc(c(c1)OCF)N 7a_100000124328_100015361967 [0,1,0,0,0,0|2,0,1]=4 2090 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100012339963_100015361967 [0,1,0,0,0,0|1,1,1]=4 2091 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100015361967_100012339963 [0,1,0,0,0,0|1,1,1]=4 2092 B12R1.270 CNCc1cc(ccc1O)SC 62a_100011602694_200000210301 [0,1,0,0,0,0|3,0,0]=4 2093 B12R1.270 CNCc1cc(ccc1O)SC 62a_200000210301_100011602694 [0,1,0,0,0,0|3,0,0]=4 2094 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_100011602694_200025704644 [0,1,0,0,0,0|3,0,0]=4 2095 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100011602694 [0,1,0,0,0,0|3,0,0]=4 2096 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100010246249_200000210301 [0,1,0,0,0,0|2,0,1]=4 2097 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100138415774_100012145668 [0,1,0,0,0,0|2,0,1]=4 2098 B12R1.270 COCc1cc(ccc1Br)C#N 7a_100010246249_200000210301 [0,1,0,0,0,0|2,0,1]=4 2099 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [0,1,0,0,0,0|3,0,0]=4 2100 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [0,1,0,0,0,0|3,0,0]=4 2101 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [0,1,0,0,0,0|3,0,0]=4 2102 B12R1.270 COCc1cc(ccc1Br)SC 62a_200000210301_202125822959 [0,1,0,0,0,0|3,0,0]=4 2103 B12R1.270 COCc1cc(ccc1Br)SC 62a_202125822959_200000210301 [0,1,0,0,0,0|3,0,0]=4 2104 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_200025704644_202125822959 [0,1,0,0,0,0|3,0,0]=4 2105 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_202125822959_200025704644 [0,1,0,0,0,0|3,0,0]=4 2106 B12R1.270 COCc1cc(ccc1C)C#N 34a_200009860882_200000210301 [0,1,0,0,0,0|2,0,1]=4 2107 B12R1.270 COCc1cc(ccc1C)C#N 7a_200009860882_200000210301 [0,1,0,0,0,0|2,0,1]=4 2108 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [0,1,0,0,0,0|3,0,0]=4 2109 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [0,1,0,0,0,0|3,0,0]=4 2110 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [0,1,0,0,0,0|3,0,0]=4 2111 B12R1.270 COCc1cc(ccc1F)C#N 34a_100000757149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2112 B12R1.270 COCc1cc(ccc1F)C#N 7a_100000757149_200000210301 [0,1,0,0,0,0|2,0,1]=4 2113 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [0,1,0,0,0,0|3,0,0]=4 2114 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [0,1,0,0,0,0|3,0,0]=4 2115 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [0,1,0,0,0,0|3,0,0]=4 2116 B12R1.270 COCc1cc(ccc1F)SC 62a_100010140362_200000210301 [0,1,0,0,0,0|3,0,0]=4 2117 B12R1.270 COCc1cc(ccc1F)SC 62a_200000210301_100010140362 [0,1,0,0,0,0|3,0,0]=4 2118 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_100010140362_200025704644 [0,1,0,0,0,0|3,0,0]=4 2119 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010140362 [0,1,0,0,0,0|3,0,0]=4 2120 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [0,1,0,0,0,0|3,0,0]=4 2121 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [0,1,0,0,0,0|3,0,0]=4 2122 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [0,1,0,0,0,0|3,0,0]=4 2123 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [0,1,0,0,0,0|3,0,0]=4 2124 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [0,1,0,0,0,0|3,0,0]=4 2125 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [0,1,0,0,0,0|3,0,0]=4 2126 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [0,1,0,0,0,0|3,0,0]=4 2127 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [0,1,0,0,0,0|3,0,0]=4 2128 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [0,1,0,0,0,0|3,0,0]=4 2129 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [0,1,0,0,0,0|3,0,0]=4 2130 B12R1.270 COc1ccc(c(c1)OCF)Br 34a_100000719091_100015361967 [0,1,0,0,0,0|3,0,0]=4 2131 B12R1.270 COc1ccc(c(c1)OCF)Br 7a_100000719091_100015361967 [0,1,0,0,0,0|3,0,0]=4 2132 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [0,1,0,0,0,0|3,0,0]=4 2133 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [0,1,0,0,0,0|3,0,0]=4 2134 B12R1.270 COc1ccc(c(c1)OCF)Cl 34a_100011516019_100015361967 [0,1,0,0,0,0|3,0,0]=4 2135 B12R1.270 COc1ccc(c(c1)OCF)Cl 7a_100011516019_100015361967 [0,1,0,0,0,0|3,0,0]=4 2136 B12R1.270 COc1ccc(c(c1)OCF)F 34a_100012178750_100015361967 [0,1,0,0,0,0|3,0,0]=4 2137 B12R1.270 COc1ccc(c(c1)OCF)F 7a_100012178750_100015361967 [0,1,0,0,0,0|3,0,0]=4 2138 B12R1.270 COc1ccc(c(c1)OCF)I 34a_100010168831_100015361967 [0,1,0,0,0,0|3,0,0]=4 2139 B12R1.270 COc1ccc(c(c1)OCF)I 7a_100010168831_100015361967 [0,1,0,0,0,0|3,0,0]=4 2140 B12R1.270 COc1ccc(c(c1)OCF)N 34a_100016989039_100015361967 [0,1,0,0,0,0|3,0,0]=4 2141 B12R1.270 COc1ccc(c(c1)OCF)N 7a_100016989039_100015361967 [0,1,0,0,0,0|3,0,0]=4 2142 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [0,1,0,0,0,0|2,1,0]=4 2143 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 34a_200009860882_200025704644 [0,1,0,0,0,0|2,0,1]=4 2144 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 7a_200009860882_200025704644 [0,1,0,0,0,0|2,0,1]=4 2145 B12R1.270 Cc1ccc(cc1OCF)C#N 34a_100000765541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2146 B12R1.270 Cc1ccc(cc1OCF)C#N 7a_100000765541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2147 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100000695567_100015361967 [0,1,0,0,0,0|1,1,0]=3 2148 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100015361967_100000695567 [0,1,0,0,0,0|1,1,0]=3 2149 B12R1.270 Cc1cnc(cc1SCF)C=O 62a_100010174032_100015361967 [0,1,0,0,0,0|2,1,0]=4 2150 B12R1.270 Cc1cnc(cc1SCF)C=O 62a_100015361967_100010174032 [0,1,0,0,0,0|2,1,0]=4 2151 B12R1.270 N#Cc1ccc(c(c1)NCF)O 34a_100000766272_100015361967 [0,1,0,0,0,0|2,0,1]=4 2152 B12R1.270 N#Cc1ccc(c(c1)NCF)O 7a_100000766272_100015361967 [0,1,0,0,0,0|2,0,1]=4 2153 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 34a_100009877741_100015361967 [0,1,0,0,0,0|2,0,1]=4 2154 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 7a_100009877741_100015361967 [0,1,0,0,0,0|2,0,1]=4 2155 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 34a_100012186312_100015361967 [0,1,0,0,0,0|2,0,1]=4 2156 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 7a_100012186312_100015361967 [0,1,0,0,0,0|2,0,1]=4 2157 B12R1.270 N#Cc1ccc(c(c1)OCF)F 34a_100000069402_100015361967 [0,1,0,0,0,0|2,0,1]=4 2158 B12R1.270 N#Cc1ccc(c(c1)OCF)F 7a_100000069402_100015361967 [0,1,0,0,0,0|2,0,1]=4 2159 B12R1.270 N#Cc1ccc(c(c1)OCF)I 34a_100000724445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2160 B12R1.270 N#Cc1ccc(c(c1)OCF)I 7a_100000724445_100015361967 [0,1,0,0,0,0|2,0,1]=4 2161 B12R1.270 N#Cc1ccc(c(c1)OCF)N 34a_100011997735_100015361967 [0,1,0,0,0,0|2,0,1]=4 2162 B12R1.270 N#Cc1ccc(c(c1)OCF)N 7a_100011997735_100015361967 [0,1,0,0,0,0|2,0,1]=4 2163 B12R1.270 N#Cc1ccc(c(c1)SCF)O 62a_100015361967_100000725478 [0,1,0,0,0,0|1,1,1]=4 2164 B12R1.270 NCc1ccc(c(c1)OCF)Cl 34a_100020636435_100015361967 [0,1,0,0,0,0|2,0,1]=4 2165 B12R1.270 NCc1ccc(c(c1)OCF)F 34a_100160469508_100015361967 [0,1,0,0,0,0|2,0,1]=4 2166 B12R1.270 Nc1ncc(cc1SCF)C=O 62a_100010064899_100015361967 [0,1,0,0,0,0|2,1,0]=4 2167 B12R1.270 Nc1ncc(cc1SCF)C=O 62a_100015361967_100010064899 [0,1,0,0,0,0|2,1,0]=4 2168 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100010146563_100015361967 [0,1,0,0,0,0|1,1,0]=3 2169 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100015361967_100010146563 [0,1,0,0,0,0|1,1,0]=3 2170 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100010209939_100015361967 [0,1,0,0,0,0|1,1,0]=3 2171 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100010209939 [0,1,0,0,0,0|1,1,0]=3 2172 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100000211747_100015361967 [0,1,0,0,0,0|1,1,0]=3 2173 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100015361967_100000211747 [0,1,0,0,0,0|1,1,0]=3 2174 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [0,1,0,0,0,0|0,1,0]=2 2175 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [0,1,0,0,0,0|0,1,0]=2 2176 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100010064886_100015361967 [0,1,0,0,0,0|1,1,0]=3 2177 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100015361967_100010064886 [0,1,0,0,0,0|1,1,0]=3 2178 B12R1.270 OCc1ccc(c(c1)NCF)O 34a_100000123545_100015361967 [0,1,0,0,0,0|1,0,2]=4 2179 B12R1.270 OCc1ccc(c(c1)OCF)Br 34a_100010191536_100015361967 [0,1,0,0,0,0|1,0,2]=4 2180 B12R1.270 OCc1ccc(c(c1)OCF)Br 7a_100010191536_100015361967 [0,1,0,0,0,0|1,0,2]=4 2181 B12R1.270 OCc1ccc(c(c1)OCF)Cl 34a_100009876509_100015361967 [0,1,0,0,0,0|1,0,2]=4 2182 B12R1.270 OCc1ccc(c(c1)OCF)Cl 7a_100009876509_100015361967 [0,1,0,0,0,0|1,0,2]=4 2183 B12R1.270 OCc1ccc(c(c1)OCF)F 34a_100009842347_100015361967 [0,1,0,0,0,0|1,0,2]=4 2184 B12R1.270 OCc1ccc(c(c1)OCF)F 7a_100009842347_100015361967 [0,1,0,0,0,0|1,0,2]=4 2185 B12R1.270 OCc1ccc(c(c1)OCF)I 34a_100000049605_100015361967 [0,1,0,0,0,0|1,0,2]=4 2186 B12R1.270 OCc1ccc(c(c1)OCF)I 7a_100000049605_100015361967 [0,1,0,0,0,0|1,0,2]=4 2187 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100011191544_100015361967 [0,1,0,0,0,0|0,1,2]=4 2188 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100015361967_100011191544 [0,1,0,0,0,0|0,1,2]=4 2189 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 34a_100010246249_200025704644 [0,1,0,0,0,0|2,0,1]=4 2190 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 7a_100010246249_200025704644 [0,1,0,0,0,0|2,0,1]=4 2191 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 34a_100000757149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2192 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 7a_100000757149_200025704644 [0,1,0,0,0,0|2,0,1]=4 2193 B12R1.286 C=C=Cc1c[nH]c(=O)c(c1)OC 271570a_100015277604_100010125397 [0,1,0,0,0,0|2,0,1]=4 2194 B12R1.286 C=C=Cc1cc(c(cn1)C)OC 271570a_100015277604_100010067687 [0,1,0,0,0,0|3,0,0]=4 2195 B12R1.286 C=C=Cc1cc(c(cn1)F)OC 271570a_100015277604_200010136270 [0,1,0,0,0,0|3,0,0]=4 2196 B12R1.286 C=C=Cc1cc(c(cn1)N)OC 271570a_100015277604_100009887741 [0,1,0,0,0,0|3,0,0]=4 2197 B12R1.286 C=C=Cc1ccc(c(c1)C#N)O 271570a_100015277604_100000687585 [0,1,0,0,0,0|3,0,0]=4 2198 B12R1.286 C=C=Cc1ccc(c(c1)C=O)O 271570a_100015277604_100000186750 [0,1,0,0,0,0|3,0,0]=4 2199 B12R1.286 C=C=Cc1ccc(c(c1)CC)Br 271570a_100015277604_100010244631 [0,1,0,0,0,0|3,0,0]=4 2200 B12R1.286 C=C=Cc1ccc(c(c1)CC)F 271570a_100015277604_100010244625 [0,1,0,0,0,0|3,0,0]=4 2201 B12R1.286 C=C=Cc1ccc(c(c1)CC)N 271570a_100015277604_100000686106 [0,1,0,0,0,0|3,0,0]=4 2202 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,1,0,0,0,0|2,0,0]=3 2203 B12R1.286 C=C=Cc1ccc(c(c1)CN)O 271570a_100015277604_100000730032 [0,1,0,0,0,0|3,0,0]=4 2204 B12R1.286 C=C=Cc1ccc(c(c1)CO)O 271570a_100015277604_100000184703 [0,1,0,0,0,0|3,0,0]=4 2205 B12R1.286 C=C=Cc1ccc(c(c1)NC)C 271570a_100015277604_100020629602 [0,1,0,0,0,0|3,0,0]=4 2206 B12R1.286 C=C=Cc1ccc(c(c1)NC)F 271570a_100015277604_100011314990 [0,1,0,0,0,0|3,0,0]=4 2207 B12R1.286 C=C=Cc1ccc(c(c1)NC)N 271570a_100015277604_100000694363 [0,1,0,0,0,0|3,0,0]=4 2208 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,1,0,0,0,0|2,0,0]=3 2209 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,1,0,0,0,0|2,0,0]=3 2210 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,1,0,0,0,0|2,0,0]=3 2211 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,1,0,0,0,0|2,0,0]=3 2212 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,1,0,0,0,0|2,0,0]=3 2213 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,1,0,0,0,0|1,0,0]=2 2214 B12R1.286 C=C=Cc1ccc(c(c1)SC)F 271570a_100015277604_100010341305 [0,1,0,0,0,0|2,1,0]=4 2215 B12R1.286 C=C=Cc1ccc(c(n1)OC)N 271570a_100015277604_100000687816 [0,1,0,0,0,0|3,0,0]=4 2216 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [0,1,0,0,0,0|2,0,0]=3 2217 B12R1.286 C=C=Cc1cnc(c(c1)OC)C 271570a_100015277604_100010254219 [0,1,0,0,0,0|3,0,0]=4 2218 B12R1.286 C=C=Cc1cnc(c(c1)OC)F 271570a_100015277604_100010214931 [0,1,0,0,0,0|3,0,0]=4 2219 B12R1.286 C=C=Cc1cnc(c(c1)OC)N 271570a_100015277604_106354213024 [0,1,0,0,0,0|3,0,0]=4 2220 B12R1.286 C=C=Cc1cnc(c(n1)OC)O 271570a_100015277604_200010365344 [0,1,0,0,0,0|3,0,0]=4 2221 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [0,1,0,0,0,0|2,0,1]=4 2222 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [0,1,0,0,0,0|3,0,0]=4 2223 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [0,1,0,0,0,0|3,0,0]=4 2224 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [0,1,0,0,0,0|3,0,0]=4 2225 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [0,1,0,0,0,0|3,0,0]=4 2226 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [0,1,0,0,0,0|3,0,0]=4 2227 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [0,1,0,0,0,0|3,0,0]=4 2228 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [0,1,0,0,0,0|3,0,0]=4 2229 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [0,1,0,0,0,0|3,0,0]=4 2230 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,1,0,0,0,0|2,0,0]=3 2231 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [0,1,0,0,0,0|3,0,0]=4 2232 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [0,1,0,0,0,0|3,0,0]=4 2233 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [0,1,0,0,0,0|3,0,0]=4 2234 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [0,1,0,0,0,0|3,0,0]=4 2235 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [0,1,0,0,0,0|3,0,0]=4 2236 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,1,0,0,0,0|2,0,0]=3 2237 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,1,0,0,0,0|2,0,0]=3 2238 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,1,0,0,0,0|2,0,0]=3 2239 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,1,0,0,0,0|2,0,0]=3 2240 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,1,0,0,0,0|2,0,0]=3 2241 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,1,0,0,0,0|1,0,0]=2 2242 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [0,1,0,0,0,0|2,1,0]=4 2243 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [0,1,0,0,0,0|3,0,0]=4 2244 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,1,0,0,0,0|2,0,0]=3 2245 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [0,1,0,0,0,0|3,0,0]=4 2246 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [0,1,0,0,0,0|3,0,0]=4 2247 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [0,1,0,0,0,0|3,0,0]=4 2248 B12R1.286 CC=Cc1cnc(c(n1)OC)O 271570a_100016259895_200010365344 [0,1,0,0,0,0|3,0,0]=4 2249 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [0,1,0,0,0,0|2,0,1]=4 2250 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [0,1,0,0,0,0|2,0,1]=4 2251 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [0,1,0,0,0,0|2,0,1]=4 2252 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [0,1,0,0,0,0|2,0,1]=4 2253 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [0,1,0,0,0,0|2,0,1]=4 2254 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [0,1,0,0,0,0|2,0,1]=4 2255 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [0,1,0,0,0,0|2,0,1]=4 2256 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [0,1,0,0,0,0|2,0,1]=4 2257 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [0,1,0,0,0,0|2,0,1]=4 2258 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,1,0,0,0,0|1,0,1]=3 2259 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [0,1,0,0,0,0|2,0,1]=4 2260 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [0,1,0,0,0,0|2,0,1]=4 2261 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [0,1,0,0,0,0|2,0,1]=4 2262 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [0,1,0,0,0,0|2,0,1]=4 2263 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [0,1,0,0,0,0|2,0,1]=4 2264 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [0,1,0,0,0,0|2,0,1]=4 2265 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [0,1,0,0,0,0|2,0,1]=4 2266 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [0,1,0,0,0,0|2,0,1]=4 2267 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [0,1,0,0,0,0|2,0,1]=4 2268 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [0,1,0,0,0,0|2,0,1]=4 2269 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [0,1,0,0,0,0|2,0,1]=4 2270 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [0,1,0,0,0,0|2,0,1]=4 2271 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [0,1,0,0,0,0|2,0,1]=4 2272 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [0,1,0,0,0,0|2,0,1]=4 2273 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [0,1,0,0,0,0|2,0,1]=4 2274 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [0,1,0,0,0,0|2,0,1]=4 2275 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [0,1,0,0,0,0|2,0,1]=4 2276 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [0,1,0,0,0,0|2,0,1]=4 2277 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [0,1,0,0,0,0|2,0,1]=4 2278 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [0,1,0,0,0,0|2,0,1]=4 2279 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [0,1,0,0,0,0|2,0,1]=4 2280 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,1,0,0,0,0|1,0,1]=3 2281 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [0,1,0,0,0,0|2,0,1]=4 2282 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [0,1,0,0,0,0|2,0,1]=4 2283 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,1,0,0,0,0|2,0,1]=4 2284 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,1,0,0,0,0|2,0,1]=4 2285 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,1,0,0,0,0|2,0,1]=4 2286 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,1,0,0,0,0|2,0,1]=4 2287 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,1,0,0,0,0|2,0,1]=4 2288 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,1,0,0,0,0|2,0,1]=4 2289 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,1,0,0,0,0|2,0,1]=4 2290 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,1,0,0,0,0|2,0,1]=4 2291 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,1,0,0,0,0|2,0,1]=4 2292 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,1,0,0,0,0|2,0,1]=4 2293 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,1,0,0,0,0|2,0,1]=4 2294 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,1,0,0,0,0|2,0,1]=4 2295 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,1,0,0,0,0|2,0,1]=4 2296 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,1,0,0,0,0|2,0,1]=4 2297 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,1,0,0,0,0|2,0,1]=4 2298 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,1,0,0,0,0|2,0,1]=4 2299 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,1,0,0,0,0|2,0,1]=4 2300 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,1,0,0,0,0|2,0,1]=4 2301 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,1,0,0,0,0|2,0,1]=4 2302 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,1,0,0,0,0|2,0,1]=4 2303 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,1,0,0,0,0|2,0,1]=4 2304 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,1,0,0,0,0|2,0,1]=4 2305 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,1,0,0,0,0|2,0,1]=4 2306 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,1,0,0,0,0|1,0,1]=3 2307 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,1,0,0,0,0|1,0,2]=4 2308 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,1,0,0,0,0|1,0,2]=4 2309 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,1,0,0,0,0|1,0,2]=4 2310 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,1,0,0,0,0|1,0,2]=4 2311 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,1,0,0,0,0|1,0,2]=4 2312 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,1,0,0,0,0|1,0,2]=4 2313 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,1,0,0,0,0|1,0,2]=4 2314 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,1,0,0,0,0|1,0,2]=4 2315 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,1,0,0,0,0|1,0,2]=4 2316 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,1,0,0,0,0|1,0,2]=4 2317 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,1,0,0,0,0|1,0,2]=4 2318 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,1,0,0,0,0|1,0,2]=4 2319 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,1,0,0,0,0|1,0,2]=4 2320 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,1,0,0,0,0|1,1,1]=4 2321 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,1,0,0,0,0|1,1,1]=4 2322 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,1,0,0,0,0|1,1,1]=4 2323 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,1,0,0,0,0|1,1,1]=4 2324 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [0,1,0,0,0,0|2,0,1]=4 2325 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [0,1,0,0,0,0|2,0,1]=4 2326 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [0,1,0,0,0,0|2,0,1]=4 2327 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [0,1,0,0,0,0|2,0,1]=4 2328 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [0,1,0,0,0,0|2,0,1]=4 2329 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,1,0,0,0,0|1,0,2]=4 2330 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,1,0,0,0,0|1,0,2]=4 2331 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [0,1,0,0,0,0|2,0,1]=4 2332 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [0,1,0,0,0,0|2,0,1]=4 2333 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [0,1,0,0,0,0|2,0,1]=4 2334 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [0,1,0,0,0,0|2,0,1]=4 2335 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [0,1,0,0,0,0|2,0,1]=4 2336 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,1,0,0,0,0|2,0,1]=4 2337 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,1,0,0,0,0|2,0,1]=4 2338 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,1,0,0,0,0|1,0,2]=4 2339 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,1,0,0,0,0|1,1,1]=4 2340 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,1,0,0,0,0|1,1,1]=4 2341 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,1,0,0,0,0|1,1,1]=4 2342 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,1,0,0,0,0|1,1,1]=4 2343 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [0,1,0,0,0,0|2,0,1]=4 2344 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [0,1,0,0,0,0|2,0,1]=4 2345 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [0,1,0,0,0,0|2,0,1]=4 2346 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [0,1,0,0,0,0|2,0,1]=4 2347 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [0,1,0,0,0,0|2,0,1]=4 2348 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,1,0,0,0,0|2,0,1]=4 2349 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,1,0,0,0,0|2,0,1]=4 2350 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,1,0,0,0,0|1,0,2]=4 2351 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,1,0,0,0,0|1,0,2]=4 2352 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,1,0,0,0,0|1,1,1]=4 2353 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,1,0,0,0,0|1,1,1]=4 2354 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,1,0,0,0,0|1,1,1]=4 2355 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,1,0,0,0,0|1,1,1]=4 2356 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [0,1,0,0,0,0|2,0,1]=4 2357 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [0,1,0,0,0,0|2,0,1]=4 2358 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [0,1,0,0,0,0|2,0,1]=4 2359 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [0,1,0,0,0,0|2,0,1]=4 2360 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [0,1,0,0,0,0|2,0,1]=4 2361 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [0,1,0,0,0,0|2,0,1]=4 2362 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,1,0,0,0,0|1,0,2]=4 2363 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [0,1,0,0,0,0|2,0,1]=4 2364 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [0,1,0,0,0,0|2,0,1]=4 2365 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [0,1,0,0,0,0|2,0,1]=4 2366 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [0,1,0,0,0,0|2,0,1]=4 2367 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,1,0,0,0,0|1,0,1]=3 2368 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,1,0,0,0,0|1,0,1]=3 2369 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,1,0,0,0,0|1,0,1]=3 2370 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,1,0,0,0,0|1,0,1]=3 2371 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [0,1,0,0,0,0|2,0,1]=4 2372 B12R1.300 C=Cc1cc(c(c(c1)C#N)O)C 271570a_100011290941_100010195408 [0,1,0,0,0,0|3,0,0]=4 2373 B12R1.300 C=Cc1cc(c(c(c1)C=O)O)F 271570a_100011290941_100011217654 [0,1,0,0,0,0|3,0,0]=4 2374 B12R1.300 C=Cc1cc(c(c(c1)CC)N)C 271570a_100011290941_200000186424 [0,1,0,0,0,0|3,0,0]=4 2375 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [0,1,0,0,0,0|2,0,0]=3 2376 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [0,1,0,0,0,0|2,0,0]=3 2377 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [0,1,0,0,0,0|2,0,0]=3 2378 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [0,1,0,0,0,0|2,0,0]=3 2379 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [0,1,0,0,0,0|2,0,0]=3 2380 B12R1.300 C=Cc1cc(cc(c1C)F)C=O 271570a_100011290941_100010132949 [0,1,0,0,0,0|2,0,1]=4 2381 B12R1.300 C=Cc1cc(cc(c1F)Br)C=O 271570a_100011290941_100010270029 [0,1,0,0,0,0|2,0,1]=4 2382 B12R1.300 C=Cc1cc(cc(c1F)F)C=O 271570a_100011290941_200010341283 [0,1,0,0,0,0|2,0,1]=4 2383 B12R1.300 C=Cc1cc(cc(c1O)F)C=O 271570a_100011290941_100010295671 [0,1,0,0,0,0|1,0,1]=3 2384 B12R1.300 CCc1cc(cc(c1O)C)SC 62a_200000210301_100010659108 [0,1,0,0,0,0|3,0,0]=4 2385 B12R1.300 CCc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100010659108 [0,1,0,0,0,0|3,0,0]=4 2386 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_200000210301 [0,1,0,0,0,0|3,0,0]=4 2387 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_200000210301 [0,1,0,0,0,0|3,0,0]=4 2388 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_200000210301 [0,1,0,0,0,0|3,0,0]=4 2389 B12R1.300 CNc1cc(cc(c1O)Br)OC 34a_200010008348_200000210301 [0,1,0,0,0,0|3,0,0]=4 2390 B12R1.300 COc1cc(c(c(c1)N[13CH3])O)Br 34a_200010008348_200025704644 [0,1,0,0,0,0|3,0,0]=4 2391 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [0,1,0,0,0,0|2,0,0]=3 2392 B12R1.300 COc1cc(c(c(c1)SC)O)N 62a_200000210301_200010008348 [0,1,0,0,0,0|2,1,0]=4 2393 B12R1.300 COc1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_200010008348 [0,1,0,0,0,0|2,1,0]=4 2394 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 2230a_100010131419_200025704644 [0,1,0,0,0,0|3,0,0]=4 2395 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 34a_100010131419_200025704644 [0,1,0,0,0,0|3,0,0]=4 2396 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 7a_100010131419_200025704644 [0,1,0,0,0,0|3,0,0]=4 2397 B12R1.300 COc1cc(cc(c1F)C)SC 62a_100010271686_200000210301 [0,1,0,0,0,0|3,0,0]=4 2398 B12R1.300 COc1cc(cc(c1F)C)SC 62a_200000210301_100010271686 [0,1,0,0,0,0|3,0,0]=4 2399 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_100010271686_200025704644 [0,1,0,0,0,0|3,0,0]=4 2400 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_200025704644_100010271686 [0,1,0,0,0,0|3,0,0]=4 2401 B12R1.300 COc1cc(cc(c1F)F)SC 62a_100011218012_200000210301 [0,1,0,0,0,0|3,0,0]=4 2402 B12R1.300 COc1cc(cc(c1F)F)SC 62a_200000210301_100011218012 [0,1,0,0,0,0|3,0,0]=4 2403 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_100011218012_200025704644 [0,1,0,0,0,0|3,0,0]=4 2404 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_100011218012 [0,1,0,0,0,0|3,0,0]=4 2405 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200000210301_200015524394 [0,1,0,0,0,0|3,0,0]=4 2406 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200015524394_200000210301 [0,1,0,0,0,0|3,0,0]=4 2407 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200015524394_200025704644 [0,1,0,0,0,0|3,0,0]=4 2408 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200025704644_200015524394 [0,1,0,0,0,0|3,0,0]=4 2409 B12R1.300 COc1cc(cc(c1N)C)SC 62a_100000741850_200000210301 [0,1,0,0,0,0|3,0,0]=4 2410 B12R1.300 COc1cc(cc(c1N)C)SC 62a_200000210301_100000741850 [0,1,0,0,0,0|3,0,0]=4 2411 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_100000741850_200025704644 [0,1,0,0,0,0|3,0,0]=4 2412 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_100000741850 [0,1,0,0,0,0|3,0,0]=4 2413 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [0,1,0,0,0,0|1,0,1]=3 2414 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [0,1,0,0,0,0|0,0,0]=1 2415 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [0,1,0,0,0,0|0,0,2]=3 2416 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [0,1,0,0,0,0|2,0,0]=3 2417 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [0,1,0,0,0,0|2,0,0]=3 2418 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_100010132949_200000210301 [0,1,0,0,0,0|1,1,0]=3 2419 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_200000210301_100010132949 [0,1,0,0,0,0|1,1,0]=3 2420 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_100010270029_200000210301 [0,1,0,0,0,0|1,1,0]=3 2421 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_200000210301_100010270029 [0,1,0,0,0,0|1,1,0]=3 2422 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200000210301_200010341283 [0,1,0,0,0,0|1,1,0]=3 2423 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200010341283_200000210301 [0,1,0,0,0,0|1,1,0]=3 2424 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [0,1,0,0,0,0|0,1,0]=2 2425 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [0,1,0,0,0,0|0,1,0]=2 2426 B12R1.300 CSc1cc(cc(c1O)O)C#N 62a_200000210301_100010672013 [0,1,0,0,0,0|1,1,1]=4 2427 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [0,1,0,0,0,0|0,1,0]=2 2428 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_100010132949_200025704644 [0,1,0,0,0,0|1,1,0]=3 2429 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_200025704644_100010132949 [0,1,0,0,0,0|1,1,0]=3 2430 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_100010270029_200025704644 [0,1,0,0,0,0|1,1,0]=3 2431 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_200025704644_100010270029 [0,1,0,0,0,0|1,1,0]=3 2432 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200010341283_200025704644 [0,1,0,0,0,0|1,1,0]=3 2433 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200025704644_200010341283 [0,1,0,0,0,0|1,1,0]=3 2434 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [0,1,0,0,0,0|0,1,0]=2 2435 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [0,1,0,0,0,0|0,1,0]=2 2436 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C#N 62a_200025704644_100010672013 [0,1,0,0,0,0|1,1,1]=4 2437 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [0,1,0,0,0,0|0,1,0]=2 2438 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [0,1,0,0,0,0|2,0,0]=3 2439 B12R1.449 C=Cc1cc(c(cc1C)F)C=O 271570a_100011290941_100010138641 [0,1,0,0,0,0|2,0,1]=4 2440 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [0,1,0,0,0,0|2,0,0]=3 2441 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [0,1,0,0,0,0|2,0,0]=3 2442 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [0,1,0,0,0,0|2,0,0]=3 2443 B12R1.449 C=Cc1cc(c(cc1F)F)C=O 271570a_100011290941_100009814802 [0,1,0,0,0,0|2,0,1]=4 2444 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [0,1,0,0,0,0|2,0,0]=3 2445 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_100016015529_200000210301 [0,1,0,0,0,0|2,1,0]=4 2446 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_200000210301_100016015529 [0,1,0,0,0,0|2,1,0]=4 2447 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_100016015529_200025704644 [0,1,0,0,0,0|2,1,0]=4 2448 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100016015529 [0,1,0,0,0,0|2,1,0]=4 2449 B12R1.449 C=Cc1cc(c(cc1F)N)C=O 271570a_100011290941_200010571964 [0,1,0,0,0,0|2,0,1]=4 2450 B12R1.449 C=Cc1cc(c(cc1F)N)NC 271570a_100011290941_100013631271 [0,1,0,0,0,0|3,0,0]=4 2451 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [0,1,0,0,0,0|2,0,0]=3 2452 B12R1.449 C=Cc1cc(c(cc1F)O)C=O 271570a_100011290941_100010175118 [0,1,0,0,0,0|2,0,1]=4 2453 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [0,1,0,0,0,0|1,0,0]=2 2454 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [0,1,0,0,0,0|2,0,0]=3 2455 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [0,1,0,0,0,0|2,0,0]=3 2456 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [0,1,0,0,0,0|1,0,1]=3 2457 B12R1.449 C=Cc1cc(c(nc1C)N)OC 271570a_100011290941_200010892190 [0,1,0,0,0,0|3,0,0]=4 2458 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [0,1,0,0,0,0|2,0,1]=4 2459 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [0,1,0,0,0,0|2,0,1]=4 2460 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [0,1,0,0,0,0|2,0,1]=4 2461 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [0,1,0,0,0,0|2,0,1]=4 2462 B12R1.449 CNc1cc(c(cc1Br)Br)OC 34a_100000718616_200000210301 [0,1,0,0,0,0|3,0,0]=4 2463 B12R1.449 CNc1cc(c(cc1Br)Br)OC 7a_100000718616_200000210301 [0,1,0,0,0,0|3,0,0]=4 2464 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [0,1,0,0,0,0|3,0,0]=4 2465 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [0,1,0,0,0,0|3,0,0]=4 2466 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 34a_100013022580_200000210301 [0,1,0,0,0,0|3,0,0]=4 2467 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 7a_100013022580_200000210301 [0,1,0,0,0,0|3,0,0]=4 2468 B12R1.449 CNc1cc(c(cc1Br)F)OC 34a_100010208193_200000210301 [0,1,0,0,0,0|3,0,0]=4 2469 B12R1.449 CNc1cc(c(cc1Br)F)OC 7a_100010208193_200000210301 [0,1,0,0,0,0|3,0,0]=4 2470 B12R1.449 CNc1cc(c(cc1C)Br)OC 34a_100010232211_200000210301 [0,1,0,0,0,0|3,0,0]=4 2471 B12R1.449 CNc1cc(c(cc1C)Br)OC 7a_100010232211_200000210301 [0,1,0,0,0,0|3,0,0]=4 2472 B12R1.449 CNc1cc(c(cc1C)Cl)OC 2230a_100009858536_200000210301 [0,1,0,0,0,0|3,0,0]=4 2473 B12R1.449 CNc1cc(c(cc1C)Cl)OC 34a_100009858536_200000210301 [0,1,0,0,0,0|3,0,0]=4 2474 B12R1.449 CNc1cc(c(cc1C)Cl)OC 7a_100009858536_200000210301 [0,1,0,0,0,0|3,0,0]=4 2475 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 34a_100012361290_200000210301 [0,1,0,0,0,0|3,0,0]=4 2476 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 7a_100012361290_200000210301 [0,1,0,0,0,0|3,0,0]=4 2477 B12R1.449 CNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_200000210301 [0,1,0,0,0,0|3,0,0]=4 2478 B12R1.449 CNc1cc(c(cc1Cl)F)OC 34a_100009958774_200000210301 [0,1,0,0,0,0|3,0,0]=4 2479 B12R1.449 CNc1cc(c(cc1Cl)F)OC 7a_100009958774_200000210301 [0,1,0,0,0,0|3,0,0]=4 2480 B12R1.449 CNc1cc(c(cc1F)Cl)OC 34a_100009872666_200000210301 [0,1,0,0,0,0|3,0,0]=4 2481 B12R1.449 CNc1cc(c(cc1F)Cl)OC 7a_100009872666_200000210301 [0,1,0,0,0,0|3,0,0]=4 2482 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 34a_100000718616_200025704644 [0,1,0,0,0,0|3,0,0]=4 2483 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 7a_100000718616_200025704644 [0,1,0,0,0,0|3,0,0]=4 2484 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200000210301_200014006352 [0,1,0,0,0,0|3,0,0]=4 2485 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200014006352_200000210301 [0,1,0,0,0,0|3,0,0]=4 2486 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200014006352_200025704644 [0,1,0,0,0,0|3,0,0]=4 2487 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200025704644_200014006352 [0,1,0,0,0,0|3,0,0]=4 2488 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 34a_100010232211_200025704644 [0,1,0,0,0,0|3,0,0]=4 2489 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 7a_100010232211_200025704644 [0,1,0,0,0,0|3,0,0]=4 2490 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 34a_100012361290_200025704644 [0,1,0,0,0,0|3,0,0]=4 2491 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 7a_100012361290_200025704644 [0,1,0,0,0,0|3,0,0]=4 2492 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [0,1,0,0,0,0|3,0,0]=4 2493 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [0,1,0,0,0,0|3,0,0]=4 2494 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200000210301_200010584344 [0,1,0,0,0,0|3,0,0]=4 2495 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200010584344_200000210301 [0,1,0,0,0,0|3,0,0]=4 2496 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200010584344_200025704644 [0,1,0,0,0,0|3,0,0]=4 2497 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200025704644_200010584344 [0,1,0,0,0,0|3,0,0]=4 2498 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 34a_100013022580_200025704644 [0,1,0,0,0,0|3,0,0]=4 2499 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 7a_100013022580_200025704644 [0,1,0,0,0,0|3,0,0]=4 2500 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 2230a_100009858536_200025704644 [0,1,0,0,0,0|3,0,0]=4 2501 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 34a_100009858536_200025704644 [0,1,0,0,0,0|3,0,0]=4 2502 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 7a_100009858536_200025704644 [0,1,0,0,0,0|3,0,0]=4 2503 B12R1.449 COc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100011830341_200025704644 [0,1,0,0,0,0|3,0,0]=4 2504 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 34a_100009872666_200025704644 [0,1,0,0,0,0|3,0,0]=4 2505 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 7a_100009872666_200025704644 [0,1,0,0,0,0|3,0,0]=4 2506 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_100010739614_200000210301 [0,1,0,0,0,0|3,0,0]=4 2507 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_200000210301_100010739614 [0,1,0,0,0,0|3,0,0]=4 2508 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_100010739614_200025704644 [0,1,0,0,0,0|3,0,0]=4 2509 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_200025704644_100010739614 [0,1,0,0,0,0|3,0,0]=4 2510 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 34a_100010208193_200025704644 [0,1,0,0,0,0|3,0,0]=4 2511 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 7a_100010208193_200025704644 [0,1,0,0,0,0|3,0,0]=4 2512 B12R1.449 COc1cc(c(cc1F)C)SC 62a_100011009880_200000210301 [0,1,0,0,0,0|3,0,0]=4 2513 B12R1.449 COc1cc(c(cc1F)C)SC 62a_200000210301_100011009880 [0,1,0,0,0,0|3,0,0]=4 2514 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_100011009880_200025704644 [0,1,0,0,0,0|3,0,0]=4 2515 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100011009880 [0,1,0,0,0,0|3,0,0]=4 2516 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 34a_100009958774_200025704644 [0,1,0,0,0,0|3,0,0]=4 2517 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 7a_100009958774_200025704644 [0,1,0,0,0,0|3,0,0]=4 2518 B12R1.449 COc1cc(c(cc1F)F)C#N 34a_100015806265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2519 B12R1.449 COc1cc(c(cc1F)F)C#N 7a_100015806265_200000210301 [0,1,0,0,0,0|2,0,1]=4 2520 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200000210301_200015541288 [0,1,0,0,0,0|3,0,0]=4 2521 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200015541288_200000210301 [0,1,0,0,0,0|3,0,0]=4 2522 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200015541288_200025704644 [0,1,0,0,0,0|3,0,0]=4 2523 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_200015541288 [0,1,0,0,0,0|3,0,0]=4 2524 B12R1.449 COc1cc(c(cc1F)N)SC 62a_100010365326_200000210301 [0,1,0,0,0,0|3,0,0]=4 2525 B12R1.449 COc1cc(c(cc1F)N)SC 62a_200000210301_100010365326 [0,1,0,0,0,0|3,0,0]=4 2526 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_100010365326_200025704644 [0,1,0,0,0,0|3,0,0]=4 2527 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100010365326 [0,1,0,0,0,0|3,0,0]=4 2528 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [0,1,0,0,0,0|1,0,0]=2 2529 B12R1.449 COc1cc(c(cc1N)C)SC 62a_100010141321_200000210301 [0,1,0,0,0,0|3,0,0]=4 2530 B12R1.449 COc1cc(c(cc1N)C)SC 62a_200000210301_100010141321 [0,1,0,0,0,0|3,0,0]=4 2531 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_100010141321_200025704644 [0,1,0,0,0,0|3,0,0]=4 2532 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010141321 [0,1,0,0,0,0|3,0,0]=4 2533 B12R1.449 COc1cc(c(cc1N)F)SC 62a_100012766639_200000210301 [0,1,0,0,0,0|3,0,0]=4 2534 B12R1.449 COc1cc(c(cc1N)F)SC 62a_200000210301_100012766639 [0,1,0,0,0,0|3,0,0]=4 2535 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_100012766639_200025704644 [0,1,0,0,0,0|3,0,0]=4 2536 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100012766639 [0,1,0,0,0,0|3,0,0]=4 2537 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [0,1,0,0,0,0|0,0,0]=1 2538 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [0,1,0,0,0,0|2,0,0]=3 2539 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [0,1,0,0,0,0|2,0,0]=3 2540 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [0,1,0,0,0,0|2,0,0]=3 2541 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [0,1,0,0,0,0|0,0,0]=1 2542 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [0,1,0,0,0,0|0,0,0]=1 2543 B12R1.449 COc1nc(c(cc1C)O)OC 271570a_203496583355_100021123867 [0,1,0,0,0,0|3,0,0]=4 2544 B12R1.449 COc1nc(c(cc1O)Br)OC 271570a_203496583355_100025726379 [0,1,0,0,0,0|3,0,0]=4 2545 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_100010138641_200000210301 [0,1,0,0,0,0|1,1,0]=3 2546 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_200000210301_100010138641 [0,1,0,0,0,0|1,1,0]=3 2547 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_100009814802_200000210301 [0,1,0,0,0,0|1,1,0]=3 2548 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_200000210301_100009814802 [0,1,0,0,0,0|1,1,0]=3 2549 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200000210301_200010571964 [0,1,0,0,0,0|1,1,0]=3 2550 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200010571964_200000210301 [0,1,0,0,0,0|1,1,0]=3 2551 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_100010175118_200000210301 [0,1,0,0,0,0|1,1,0]=3 2552 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_200000210301_100010175118 [0,1,0,0,0,0|1,1,0]=3 2553 B12R1.449 CSc1cc(c(cc1O)F)C#N 62a_200000210301_100011015635 [0,1,0,0,0,0|1,1,1]=4 2554 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [0,1,0,0,0,0|0,1,0]=2 2555 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_100010138641_200025704644 [0,1,0,0,0,0|1,1,0]=3 2556 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010138641 [0,1,0,0,0,0|1,1,0]=3 2557 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 34a_100015806265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2558 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 7a_100015806265_200025704644 [0,1,0,0,0,0|2,0,1]=4 2559 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_100009814802_200025704644 [0,1,0,0,0,0|1,1,0]=3 2560 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_200025704644_100009814802 [0,1,0,0,0,0|1,1,0]=3 2561 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200010571964_200025704644 [0,1,0,0,0,0|1,1,0]=3 2562 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200025704644_200010571964 [0,1,0,0,0,0|1,1,0]=3 2563 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_100010175118_200025704644 [0,1,0,0,0,0|1,1,0]=3 2564 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_200025704644_100010175118 [0,1,0,0,0,0|1,1,0]=3 2565 B12R1.449 [13CH3]Sc1cc(c(cc1O)F)C#N 62a_200025704644_100011015635 [0,1,0,0,0,0|1,1,1]=4 2566 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [0,1,0,0,0,0|0,1,0]=2 2567 B12R1.453 C=C(C)c1cc(ccc1Br)C=O 271570a_100000694244_100010146563 [0,1,0,0,0,0|2,0,0]=3 2568 B12R1.453 C=C(C)c1cc(ccc1C)C=O 271570a_100000694244_100000695567 [0,1,0,0,0,0|2,0,0]=3 2569 B12R1.453 C=C(C)c1cc(ccc1Cl)C=O 271570a_100000694244_100010209939 [0,1,0,0,0,0|2,0,0]=3 2570 B12R1.453 C=C(C)c1cc(ccc1F)C=O 271570a_100000694244_100000211747 [0,1,0,0,0,0|2,0,0]=3 2571 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,1,0,0,0,0|2,0,1]=4 2572 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,1,0,0,0,0|1,0,0]=2 2573 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,0|2,0,1]=4 2574 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,1,0,0,0,0|1,0,2]=4 2575 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,0,0|3,0,0]=4 2576 B12R1.453 C=C(C)c1cc(cnc1N)C=O 271570a_100000694244_100010064899 [0,1,0,0,0,0|3,0,0]=4 2577 B12R1.453 C=C(C)c1cc(cnc1O)C=O 271570a_100000694244_100010064886 [0,1,0,0,0,0|2,0,0]=3 2578 B12R1.453 C=C(C)c1cc(ncc1C)C=O 271570a_100000694244_100010174032 [0,1,0,0,0,0|3,0,0]=4 2579 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [0,1,0,0,0,0|3,0,0]=4 2580 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,1,0,0,0,0|3,0,0]=4 2581 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,1,0,0,0,0|3,0,0]=4 2582 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,1,0,0,0,0|3,0,0]=4 2583 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,1,0,0,0,0|3,0,0]=4 2584 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,0,0|2,0,0]=3 2585 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,1,0,0,0,0|3,0,0]=4 2586 B12R1.453 C=Cc1ccc(c(c1)C(C)C)F 271570a_100011290941_200053017515 [0,1,0,0,0,0|3,0,0]=4 2587 B12R1.453 C=Cc1ccc(c(c1)C(C)C)N 271570a_100011290941_100000694223 [0,1,0,0,0,0|3,0,0]=4 2588 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [0,1,0,0,0,0|2,0,0]=3 2589 B12R1.453 C=Cc1ccc(c(c1)C(C)O)F 271570a_100011290941_100011943926 [0,1,0,0,0,0|3,0,0]=4 2590 B12R1.453 C=Cc1ccc(c(c1)N(C)C)F 271570a_100011290941_100010288836 [0,1,0,0,0,0|3,0,0]=4 2591 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,0,0|2,0,1]=4 2592 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,0|1,0,2]=4 2593 B12R1.453 CC(C)c1cc(ccc1O)C#N 271570a_203496583355_100021510006 [0,1,0,0,0,0|2,0,1]=4 2594 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,1,0,0,0,0|3,0,0]=4 2595 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,1,0,0,0,0|3,0,0]=4 2596 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,0|2,0,1]=4 2597 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,0|2,0,1]=4 2598 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,0|3,0,0]=4 2599 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,0|3,0,0]=4 2600 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,0|3,0,0]=4 2601 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,1,0,0,0,0|3,0,0]=4 2602 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,1,0,0,0,0|3,0,0]=4 2603 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,1,0,0,0,0|3,0,0]=4 2604 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [0,1,0,0,0,0|2,0,0]=3 2605 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,0,0|2,0,1]=4 2606 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,0|1,0,2]=4 2607 B12R1.654 C=Cc1c(ccc(c1F)C=O)F 271570a_100011290941_100000050342 [0,1,0,0,0,0|2,0,1]=4 2608 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [0,1,0,0,0,0|2,0,0]=3 2609 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [0,1,0,0,0,0|2,0,0]=3 2610 B12R1.654 C=Cc1ccc(c(c1F)SC)F 271570a_100011290941_202125771753 [0,1,0,0,0,0|2,1,0]=4 2611 B12R1.654 CNc1ccc(c(c1F)OC)F 34a_100137314619_200000210301 [0,1,0,0,0,0|3,0,0]=4 2612 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [0,1,0,0,0,0|1,0,1]=3 2613 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [0,1,0,0,0,0|0,0,0]=1 2614 B12R1.654 COc1c(ccc(c1F)N[13CH3])F 34a_100137314619_200025704644 [0,1,0,0,0,0|3,0,0]=4 2615 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 34a_100000062073_200025704644 [0,1,0,0,0,0|3,0,0]=4 2616 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 7a_100000062073_200025704644 [0,1,0,0,0,0|3,0,0]=4 2617 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200000210301_200135222481 [0,1,0,0,0,0|3,0,0]=4 2618 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200135222481_200000210301 [0,1,0,0,0,0|3,0,0]=4 2619 B12R1.654 COc1c(ccc(c1F)SC)N 62a_100010734149_200000210301 [0,1,0,0,0,0|3,0,0]=4 2620 B12R1.654 COc1c(ccc(c1F)SC)N 62a_200000210301_100010734149 [0,1,0,0,0,0|3,0,0]=4 2621 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200025704644_200135222481 [0,1,0,0,0,0|3,0,0]=4 2622 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200135222481_200025704644 [0,1,0,0,0,0|3,0,0]=4 2623 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_100010734149_200025704644 [0,1,0,0,0,0|3,0,0]=4 2624 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_200025704644_100010734149 [0,1,0,0,0,0|3,0,0]=4 2625 B12R1.654 COc1ccc(c(c1Br)OC)Cl 34a_200020794976_200000210301 [0,1,0,0,0,0|3,0,0]=4 2626 B12R1.654 COc1ccc(c(c1Br)OC)Cl 7a_200020794976_200000210301 [0,1,0,0,0,0|3,0,0]=4 2627 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 34a_200020794976_200025704644 [0,1,0,0,0,0|3,0,0]=4 2628 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 7a_200020794976_200025704644 [0,1,0,0,0,0|3,0,0]=4 2629 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [0,1,0,0,0,0|2,0,0]=3 2630 B12R1.654 COc1ccc(c(c1Cl)OC)F 34a_200000061507_200000210301 [0,1,0,0,0,0|3,0,0]=4 2631 B12R1.654 COc1ccc(c(c1Cl)OC)F 7a_200000061507_200000210301 [0,1,0,0,0,0|3,0,0]=4 2632 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 34a_200000061507_200025704644 [0,1,0,0,0,0|3,0,0]=4 2633 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 7a_200000061507_200025704644 [0,1,0,0,0,0|3,0,0]=4 2634 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062056_200000210301 [0,1,0,0,0,0|3,0,0]=4 2635 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062073_200000210301 [0,1,0,0,0,0|3,0,0]=4 2636 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062056_200000210301 [0,1,0,0,0,0|3,0,0]=4 2637 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062073_200000210301 [0,1,0,0,0,0|3,0,0]=4 2638 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [0,1,0,0,0,0|2,0,0]=3 2639 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 34a_100000062056_200025704644 [0,1,0,0,0,0|3,0,0]=4 2640 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 7a_100000062056_200025704644 [0,1,0,0,0,0|3,0,0]=4 2641 B12R1.654 COc1ccc(c(c1F)SC)O 271570a_203496583355_200011099385 [0,1,0,0,0,0|2,1,0]=4 2642 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_100010381662_200000210301 [0,1,0,0,0,0|1,1,0]=3 2643 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_200000210301_100010381662 [0,1,0,0,0,0|1,1,0]=3 2644 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_100000050342_200000210301 [0,1,0,0,0,0|1,1,0]=3 2645 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_200000210301_100000050342 [0,1,0,0,0,0|1,1,0]=3 2646 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_100010381662_200025704644 [0,1,0,0,0,0|1,1,0]=3 2647 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_200025704644_100010381662 [0,1,0,0,0,0|1,1,0]=3 2648 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_100000050342_200025704644 [0,1,0,0,0,0|1,1,0]=3 2649 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_200025704644_100000050342 [0,1,0,0,0,0|1,1,0]=3 2650 B12R2.44 C=Cc1cc2c(cn1)OCC2 271570a_100011290941_102495363667 [0,0,0,1,0,0|3,0,0]=4 2651 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [0,0,0,1,0,0|3,0,0]=4 2652 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [0,0,0,1,0,0|3,0,0]=4 2653 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [0,0,0,1,0,0|2,0,0]=3 2654 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [0,0,0,1,0,0|3,0,0]=4 2655 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,0,0,1,0,0|2,0,0]=3 2656 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [0,0,0,1,0,0|1,0,0]=2 2657 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,0,1,0,0|2,0,1]=4 2658 B12R2.44 C=Cc1ccc2cnoc2c1 271570a_100011290941_100009817722 [0,0,0,1,0,0|3,0,0]=4 2659 B12R2.44 C=Cc1ccc2ncoc2c1 271570a_100011290941_100009817590 [0,0,0,1,0,0|2,0,1]=4 2660 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,0,0,1,0,0|2,0,1]=4 2661 B12R2.44 C=Cc1ccc2ocnc2c1 271570a_100011290941_100009816175 [0,0,0,1,0,0|2,0,1]=4 2662 B12R2.44 C=Cc1ccc2oncc2c1 271570a_100011290941_100009817723 [0,0,0,1,0,0|3,0,0]=4 2663 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,0,0,1,0,0|3,0,0]=4 2664 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,0,0,1,0,0|3,0,0]=4 2665 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,0,0,1,0,0|2,0,0]=3 2666 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,0,0,1,0,0|2,0,0]=3 2667 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,1,0,0|2,0,0]=3 2668 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,0,0,1,0,0|3,0,0]=4 2669 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,0,0,1,0,0|3,0,0]=4 2670 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,1,0,0|3,0,0]=4 2671 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,1,0,0|3,0,0]=4 2672 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,0,0,1,0,0|3,0,0]=4 2673 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,0,0,1,0,0|3,0,0]=4 2674 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,0,0,1,0,0|2,0,0]=3 2675 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,0,0,1,0,0|2,0,0]=3 2676 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,1,0,0|2,0,0]=3 2677 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,0,0,1,0,0|3,0,0]=4 2678 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,0,0,1,0,0|3,0,0]=4 2679 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,1,0,0|3,0,0]=4 2680 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,1,0,0|3,0,0]=4 2681 B10R1.35 CSc1cc(sc1C)C=O 62a_100000708457_200000210301 [0,0,0,0,1,0|2,1,0]=4 2682 B10R1.35 CSc1cc(sc1C)C=O 62a_200000210301_100000708457 [0,0,0,0,1,0|2,1,0]=4 2683 B10R1.35 CSc1sc(cc1C)C=O 62a_100000761930_200000210301 [0,0,0,0,1,0|2,1,0]=4 2684 B10R1.35 CSc1sc(cc1C)C=O 62a_200000210301_100000761930 [0,0,0,0,1,0|2,1,0]=4 2685 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_100000761930_200025704644 [0,0,0,0,1,0|2,1,0]=4 2686 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_200025704644_100000761930 [0,0,0,0,1,0|2,1,0]=4 2687 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_100000708457_200025704644 [0,0,0,0,1,0|2,1,0]=4 2688 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_200025704644_100000708457 [0,0,0,0,1,0|2,1,0]=4 2689 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [1,0,1,0,0,0|1,0,1]=4 2690 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [1,0,1,0,0,0|1,0,1]=4 2691 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [2,0,0,0,0,0|2,0,0]=4 2692 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [2,0,0,0,0,0|2,0,0]=4 2693 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [2,0,0,0,0,0|2,0,0]=4 2694 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,0,0,0,0,0|2,0,0]=4 2695 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|1,0,0]=3 2696 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,0,0,0,0,0|2,0,0]=4 2697 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,0,0,0,0,0|2,0,0]=4 2698 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,0,0,0,0,0|2,0,0]=4 2699 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|1,0,0]=3 2700 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,0,0,0,0,0|1,1,0]=4 2701 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [2,0,0,0,0,0|2,0,0]=4 2702 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [2,0,0,0,0,0|2,0,0]=4 2703 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [2,0,0,0,0,0|2,0,0]=4 2704 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [2,0,0,0,0,0|2,0,0]=4 2705 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|1,0,1]=4 2706 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [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|1,0,1]=4 2709 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 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|1,0,1]=4 2714 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,1]=4 2715 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [2,0,0,0,0,0|1,0,1]=4 2716 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,0,0,0,0,0|1,0,0]=3 2717 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2718 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2719 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [2,0,0,0,0,0|1,0,0]=3 2720 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2721 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 2722 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,0,0,0,0,0|0,0,1]=3 2723 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,0,0,0,0,0|0,0,1]=3 2724 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2725 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 2726 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2727 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 2728 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2729 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 2730 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 2731 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|0,0,1]=3 2732 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [2,0,0,0,0,0|2,0,0]=4 2733 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [2,0,0,0,0,0|1,0,1]=4 2734 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [2,0,0,0,0,0|1,0,1]=4 2735 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2736 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [2,0,0,0,0,0|2,0,0]=4 2737 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [2,0,0,0,0,0|2,0,0]=4 2738 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [2,0,0,0,0,0|1,0,1]=4 2739 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2740 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 2741 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [2,0,0,0,0,0|1,0,1]=4 2742 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [2,0,0,0,0,0|1,0,1]=4 2743 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [2,0,0,0,0,0|2,0,0]=4 2744 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2745 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 2746 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2747 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [2,0,0,0,0,0|1,0,1]=4 2748 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [2,0,0,0,0,0|1,1,0]=4 2749 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [2,0,0,0,0,0|1,1,0]=4 2750 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [2,0,0,0,0,0|1,1,0]=4 2751 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [2,0,0,0,0,0|1,1,0]=4 2752 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [2,0,0,0,0,0|1,1,0]=4 2753 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [2,0,0,0,0,0|1,1,0]=4 2754 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,0,0,0,0,0|0,1,1]=4 2755 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,0,0,0,0,0|0,1,1]=4 2756 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [2,0,0,0,0,0|1,1,0]=4 2757 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [2,0,0,0,0,0|1,1,0]=4 2758 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [2,0,0,0,0,0|1,1,0]=4 2759 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [2,0,0,0,0,0|1,1,0]=4 2760 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,0,0,0,0,0|1,1,0]=4 2761 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,0,0,0,0,0|1,1,0]=4 2762 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|0,1,1]=4 2763 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|0,1,1]=4 2764 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [2,0,0,0,0,0|0,2,0]=4 2765 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [2,0,0,0,0,0|0,2,0]=4 2766 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [2,0,0,0,0,0|1,0,1]=4 2767 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 2768 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 2769 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,0,0,0,0,0|0,0,1]=3 2770 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,0,0,0,0,0|0,0,1]=3 2771 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,0,0,0,0,0|0,1,1]=4 2772 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,0,0,0,0,0|0,1,1]=4 2773 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [2,0,0,0,0,0|1,0,1]=4 2774 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [2,0,0,0,0,0|1,0,1]=4 2775 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|1,0,1]=4 2776 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|1,0,1]=4 2777 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|2,0,0]=4 2778 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|1,0,0]=3 2779 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|0,0,0]=2 2780 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|1,0,0]=3 2781 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|1,0,0]=3 2782 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|1,0,0]=3 2783 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|0,0,2]=4 2784 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|1,0,1]=4 2785 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [2,0,0,0,0,0|2,0,0]=4 2786 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [2,0,0,0,0,0|2,0,0]=4 2787 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2788 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [2,0,0,0,0,0|2,0,0]=4 2789 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,1]=4 2790 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,0,0,0,0,0|1,0,0]=3 2791 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2792 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2793 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [2,0,0,0,0,0|1,0,0]=3 2794 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 2795 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 2796 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 2797 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 2798 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 2799 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 2800 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 2801 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 2802 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 2803 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [2,0,0,0,0,0|2,0,0]=4 2804 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2805 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [2,0,0,0,0,0|2,0,0]=4 2806 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [2,0,0,0,0,0|2,0,0]=4 2807 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 2808 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 2809 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [2,0,0,0,0,0|2,0,0]=4 2810 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 2811 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 2812 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2813 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [2,0,0,0,0,0|1,1,0]=4 2814 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [2,0,0,0,0,0|1,1,0]=4 2815 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [2,0,0,0,0,0|1,1,0]=4 2816 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [2,0,0,0,0,0|1,1,0]=4 2817 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [2,0,0,0,0,0|1,1,0]=4 2818 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [2,0,0,0,0,0|1,1,0]=4 2819 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [2,0,0,0,0,0|1,1,0]=4 2820 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [2,0,0,0,0,0|1,1,0]=4 2821 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [2,0,0,0,0,0|1,1,0]=4 2822 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [2,0,0,0,0,0|1,1,0]=4 2823 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,0,0,0,0,0|1,1,0]=4 2824 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,0,0,0,0,0|1,1,0]=4 2825 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|0,1,1]=4 2826 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [2,0,0,0,0,0|0,2,0]=4 2827 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [2,0,0,0,0,0|0,2,0]=4 2828 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|1,0,1]=4 2829 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|1,0,0]=3 2830 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [2,0,0,0,0,0|2,0,0]=4 2831 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [2,0,0,0,0,0|2,0,0]=4 2832 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|2,0,0]=4 2833 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [2,0,0,0,0,0|2,0,0]=4 2834 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [2,0,0,0,0,0|2,0,0]=4 2835 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [2,0,0,0,0,0|2,0,0]=4 2836 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2837 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2838 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,0]=3 2839 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2840 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 2841 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [2,0,0,0,0,0|2,0,0]=4 2842 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 2843 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [2,0,0,0,0,0|1,0,1]=4 2844 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2845 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [2,0,0,0,0,0|1,0,0]=3 2846 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 2847 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|1,0,0]=3 2848 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2849 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2850 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 2851 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [2,0,0,0,0,0|1,0,0]=3 2852 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2853 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [2,0,0,0,0,0|1,0,0]=3 2854 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2855 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [2,0,0,0,0,0|1,0,0]=3 2856 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|0,0,0]=2 2857 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 2858 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 2859 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2860 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|2,0,0]=4 2861 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 2862 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 2863 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2864 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 2865 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2866 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 2867 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 2868 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 2869 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|1,0,0]=3 2870 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [2,0,0,0,0,0|1,0,1]=4 2871 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [2,0,0,0,0,0|1,0,1]=4 2872 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [2,0,0,0,0,0|2,0,0]=4 2873 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [2,0,0,0,0,0|2,0,0]=4 2874 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [2,0,0,0,0,0|2,0,0]=4 2875 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [2,0,0,0,0,0|2,0,0]=4 2876 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [2,0,0,0,0,0|1,0,0]=3 2877 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2878 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [2,0,0,0,0,0|2,0,0]=4 2879 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [2,0,0,0,0,0|2,0,0]=4 2880 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2881 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [2,0,0,0,0,0|2,0,0]=4 2882 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [2,0,0,0,0,0|1,0,0]=3 2883 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [2,0,0,0,0,0|2,0,0]=4 2884 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [2,0,0,0,0,0|1,0,1]=4 2885 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 2886 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,0,0,0,0,0|2,0,0]=4 2887 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,0,0,0,0,0|2,0,0]=4 2888 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|1,0,0]=3 2889 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|2,0,0]=4 2890 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [2,0,0,0,0,0|2,0,0]=4 2891 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [2,0,0,0,0,0|1,1,0]=4 2892 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [2,0,0,0,0,0|1,1,0]=4 2893 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [2,0,0,0,0,0|1,1,0]=4 2894 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [2,0,0,0,0,0|1,1,0]=4 2895 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [2,0,0,0,0,0|1,1,0]=4 2896 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [2,0,0,0,0,0|1,1,0]=4 2897 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [2,0,0,0,0,0|1,1,0]=4 2898 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [2,0,0,0,0,0|1,1,0]=4 2899 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [2,0,0,0,0,0|1,1,0]=4 2900 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [2,0,0,0,0,0|1,1,0]=4 2901 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|0,1,0]=3 2902 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|0,1,0]=3 2903 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|0,1,0]=3 2904 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|1,1,0]=4 2905 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|1,1,0]=4 2906 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [2,0,0,0,0,0|1,1,0]=4 2907 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [2,0,0,0,0,0|1,1,0]=4 2908 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|1,1,0]=4 2909 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|1,1,0]=4 2910 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|1,1,0]=4 2911 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [2,0,0,0,0,0|2,0,0]=4 2912 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 2913 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|1,0,0]=3 2914 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [2,0,0,0,0,0|1,1,0]=4 2915 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [2,0,0,0,0,0|1,1,0]=4 2916 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2917 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2918 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [2,0,0,0,0,0|2,0,0]=4 2919 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2920 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|2,0,0]=4 2921 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|2,0,0]=4 2922 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|2,0,0]=4 2923 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|2,0,0]=4 2924 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|2,0,0]=4 2925 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|2,0,0]=4 2926 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [2,0,0,0,0,0|2,0,0]=4 2927 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [2,0,0,0,0,0|2,0,0]=4 2928 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2929 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [2,0,0,0,0,0|2,0,0]=4 2930 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 2931 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [2,0,0,0,0,0|1,0,1]=4 2932 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 2933 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [2,0,0,0,0,0|1,0,0]=3 2934 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 2935 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [2,0,0,0,0,0|1,0,0]=3 2936 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 2937 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [2,0,0,0,0,0|1,0,0]=3 2938 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 2939 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [2,0,0,0,0,0|1,0,0]=3 2940 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 2941 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [2,0,0,0,0,0|1,0,0]=3 2942 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 2943 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 2944 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 2945 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 2946 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2947 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 2948 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 2949 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 2950 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 2951 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 2952 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [2,0,0,0,0,0|1,0,1]=4 2953 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [2,0,0,0,0,0|1,0,1]=4 2954 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [2,0,0,0,0,0|2,0,0]=4 2955 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [2,0,0,0,0,0|2,0,0]=4 2956 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [2,0,0,0,0,0|2,0,0]=4 2957 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [2,0,0,0,0,0|2,0,0]=4 2958 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2959 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [2,0,0,0,0,0|2,0,0]=4 2960 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [2,0,0,0,0,0|1,0,1]=4 2961 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 2962 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,0,0,0,0,0|2,0,0]=4 2963 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,0,0,0,0,0|2,0,0]=4 2964 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [2,0,0,0,0,0|1,1,0]=4 2965 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [2,0,0,0,0,0|1,1,0]=4 2966 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [2,0,0,0,0,0|1,1,0]=4 2967 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [2,0,0,0,0,0|1,1,0]=4 2968 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [2,0,0,0,0,0|1,1,0]=4 2969 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [2,0,0,0,0,0|1,1,0]=4 2970 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [2,0,0,0,0,0|1,1,0]=4 2971 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [2,0,0,0,0,0|1,1,0]=4 2972 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|0,1,0]=3 2973 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|0,1,0]=3 2974 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|1,1,0]=4 2975 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|1,1,0]=4 2976 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [2,0,0,0,0,0|1,1,0]=4 2977 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [2,0,0,0,0,0|1,1,0]=4 2978 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|1,1,0]=4 2979 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|1,1,0]=4 2980 B9R1.69 Cc1c[n+](ccc1O)[O-] 271570a_203496583355_100000074940 [2,0,0,0,0,0|1,0,1]=4 2981 B9R1.69 Cc1cc(=O)[nH]nc1O 271570a_203496583355_100000081757 [2,0,0,0,0,0|2,0,0]=4 2982 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [2,0,0,0,0,0|1,0,1]=4 2983 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|1,0,1]=4 2984 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|1,0,1]=4 2985 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,0,0,0,0,0|1,0,1]=4 2986 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,0,0,0,0,0|1,0,1]=4 2987 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,0,0,0,0,0|1,0,1]=4 2988 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,0,0,0,0,0|1,0,1]=4 2989 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|1,0,0]=3 2990 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|1,0,0]=3 2991 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|1,0,0]=3 2992 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|1,0,0]=3 2993 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|0,0,1]=3 2994 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|0,0,1]=3 2995 B9R1.69 Cc1cc(cnc1O)Br 271570a_203496583355_100012353652 [2,0,0,0,0,0|2,0,0]=4 2996 B9R1.69 Cc1cc(cnc1O)F 271570a_203496583355_100009817009 [2,0,0,0,0,0|2,0,0]=4 2997 B9R1.69 Cc1cc(cnc1O)N 271570a_203496583355_100000761747 [2,0,0,0,0,0|2,0,0]=4 2998 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [2,0,0,0,0,0|1,0,1]=4 2999 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [2,0,0,0,0,0|1,0,1]=4 3000 B9R1.69 Cc1cc(ncc1O)Br 271570a_203496583355_100009816104 [2,0,0,0,0,0|2,0,0]=4 3001 B9R1.69 Cc1cc(ncc1O)Cl 271570a_203496583355_100010172789 [2,0,0,0,0,0|2,0,0]=4 3002 B9R1.69 Cc1cc(ncc1O)F 271570a_203496583355_100009820716 [2,0,0,0,0,0|2,0,0]=4 3003 B9R1.69 Cc1cc(ncc1O)N 271570a_203496583355_100000050067 [2,0,0,0,0,0|2,0,0]=4 3004 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [2,0,0,0,0,0|1,0,1]=4 3005 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [2,0,0,0,0,0|1,0,1]=4 3006 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|1,0,1]=4 3007 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|0,0,1]=3 3008 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|1,0,1]=4 3009 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|1,0,1]=4 3010 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|1,0,1]=4 3011 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|1,0,1]=4 3012 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|1,0,1]=4 3013 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|1,0,1]=4 3014 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|1,0,1]=4 3015 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|1,0,1]=4 3016 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|0,0,1]=3 3017 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|0,0,1]=3 3018 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [2,0,0,0,0,0|1,0,1]=4 3019 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|1,0,1]=4 3020 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|1,0,1]=4 3021 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,0,0,0,0,0|1,0,1]=4 3022 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 3023 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 3024 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 3025 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|2,0,0]=4 3026 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|1,0,1]=4 3027 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|1,0,1]=4 3028 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [2,0,0,0,0,0|1,0,1]=4 3029 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|1,0,1]=4 3030 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|1,0,1]=4 3031 B9R1.69 Cc1nc(ccc1O)Cl 271570a_203496583355_100000062408 [2,0,0,0,0,0|2,0,0]=4 3032 B9R1.69 Cc1nc(ccc1O)F 271570a_203496583355_100000688911 [2,0,0,0,0,0|2,0,0]=4 3033 B9R1.69 Cc1nc(ccc1O)N 271570a_203496583355_100000013003 [2,0,0,0,0,0|2,0,0]=4 3034 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [2,0,0,0,0,0|1,0,1]=4 3035 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [2,0,0,0,0,0|1,0,1]=4 3036 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [2,0,0,0,0,0|2,0,0]=4 3037 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 3038 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 3039 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 3040 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|1,0,1]=4 3041 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|1,0,1]=4 3042 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|2,0,0]=4 3043 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|2,0,0]=4 3044 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|2,0,0]=4 3045 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|2,0,0]=4 3046 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|2,0,0]=4 3047 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|2,0,0]=4 3048 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|2,0,0]=4 3049 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|2,0,0]=4 3050 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|1,0,0]=3 3051 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 3052 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 3053 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 3054 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|1,0,1]=4 3055 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|1,0,1]=4 3056 B9R1.69 O=c1cc(c(c[nH]1)F)O 271570a_203496583355_100009817642 [2,0,0,0,0,0|2,0,0]=4 3057 B9R1.69 O=c1cc(c(c[nH]1)O)F 271570a_203496583355_100015631685 [2,0,0,0,0,0|2,0,0]=4 3058 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 3059 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 3060 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 3061 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 3062 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 3063 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 3064 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 3065 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 3066 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 3067 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 3068 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 3069 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 3070 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 3071 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 3072 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|1,0,1]=4 3073 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|1,0,1]=4 3074 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|1,0,1]=4 3075 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|1,0,1]=4 3076 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|1,0,1]=4 3077 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|1,0,1]=4 3078 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|1,0,1]=4 3079 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|1,0,1]=4 3080 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|1,0,1]=4 3081 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|1,0,1]=4 3082 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|1,0,1]=4 3083 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|1,0,1]=4 3084 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|0,0,1]=3 3085 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|0,0,1]=3 3086 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|0,0,1]=3 3087 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 3088 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 3089 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 3090 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 3091 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 3092 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 3093 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 3094 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 3095 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 3096 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 3097 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 3098 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 3099 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 3100 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 3101 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 3102 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 3103 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 3104 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 3105 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 3106 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 3107 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|2,0,0]=4 3108 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 3109 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 3110 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|2,0,0]=4 3111 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,0]=3 3112 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|2,0,0]=4 3113 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,1]=4 3114 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 3115 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 3116 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 3117 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 3118 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 3119 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 3120 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 3121 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 3122 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 3123 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 3124 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 3125 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 3126 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 3127 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 3128 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,2]=4 3129 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 3130 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 3131 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 3132 B11R1.8 CCc1cc(cc(c1O)C)O 271570a_203496583355_100010659108 [1,1,0,0,0,0|1,0,1]=4 3133 B11R1.8 CNc1cc(cc(c1O)Br)Br 34a_100010781877_200000210301 [1,1,0,0,0,0|2,0,0]=4 3134 B11R1.8 CNc1cc(cc(c1O)Br)Cl 34a_106741647128_200000210301 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.8 CNc1cc(cc(c1O)Br)F 34a_200011217456_200000210301 [1,1,0,0,0,0|2,0,0]=4 3136 B11R1.8 CNc1cc(cc(c1O)C)Br 34a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3137 B11R1.8 CNc1cc(cc(c1O)C)Br 7a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3138 B11R1.8 CNc1cc(cc(c1O)C)C 34a_100011216242_200000210301 [1,1,0,0,0,0|1,0,1]=4 3139 B11R1.8 CNc1cc(cc(c1O)C)C 7a_100011216242_200000210301 [1,1,0,0,0,0|1,0,1]=4 3140 B11R1.8 CNc1cc(cc(c1O)C)F 34a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.8 CNc1cc(cc(c1O)C)F 7a_100000130126_200000210301 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.8 CNc1cc(cc(c1O)Cl)Br 34a_100000694353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3143 B11R1.8 CNc1cc(cc(c1O)Cl)Cl 34a_100000695819_200000210301 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.8 CNc1cc(cc(c1O)F)Br 34a_100011217383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3145 B11R1.8 CNc1cc(cc(c1O)F)Br 7a_100011217383_200000210301 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.8 CNc1cc(cc(c1O)F)F 34a_100015205836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.8 COc1cc(=O)[nH]c(c1C)C 34a_200000102741_200000210301 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.8 COc1cc(=O)[nH]c(c1C)C 7a_200000102741_200000210301 [1,1,0,0,0,0|2,0,0]=4 3149 B11R1.8 COc1cc(cc(c1Br)C)C 34a_100010342985_200000210301 [1,1,0,0,0,0|1,0,1]=4 3150 B11R1.8 COc1cc(cc(c1Br)C)C 7a_100010342985_200000210301 [1,1,0,0,0,0|1,0,1]=4 3151 B11R1.8 COc1cc(cc(c1Br)F)Cl 34a_100015539415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.8 COc1cc(cc(c1Br)F)Cl 7a_100015539415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.8 COc1cc(cc(c1Br)F)F 34a_100009815984_200000210301 [1,1,0,0,0,0|2,0,0]=4 3154 B11R1.8 COc1cc(cc(c1Br)F)F 7a_100009815984_200000210301 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.8 COc1cc(cc(c1C)C)C 34a_100000230004_200000210301 [1,1,0,0,0,0|1,0,1]=4 3156 B11R1.8 COc1cc(cc(c1C)C)C 7a_100000230004_200000210301 [1,1,0,0,0,0|1,0,1]=4 3157 B11R1.8 COc1cc(cc(c1Cl)C)C 34a_100000094344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3158 B11R1.8 COc1cc(cc(c1Cl)C)C 7a_100000094344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3159 B11R1.8 COc1cc(cc(c1Cl)Cl)N 34a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.8 COc1cc(cc(c1Cl)Cl)N 7a_100015839415_200000210301 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.8 COc1cc(cc(c1Cl)F)Br 34a_100010981968_200000210301 [1,1,0,0,0,0|2,0,0]=4 3162 B11R1.8 COc1cc(cc(c1Cl)F)Br 7a_100010981968_200000210301 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.8 COc1cc(cc(c1Cl)F)F 34a_200000037661_200000210301 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.8 COc1cc(cc(c1Cl)F)F 7a_200000037661_200000210301 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.8 COc1cc(cc(c1F)C)O 271570a_203496583355_100010271686 [1,1,0,0,0,0|1,0,1]=4 3166 B11R1.8 COc1cc(cc(c1F)Cl)Br 34a_100010077842_200000210301 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.8 COc1cc(cc(c1F)Cl)Br 7a_100010077842_200000210301 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.8 COc1cc(cc(c1F)F)Br 34a_100000709865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.8 COc1cc(cc(c1F)F)Br 7a_100000709865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.8 COc1cc(cc(c1F)F)F 34a_200011215507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.8 COc1cc(cc(c1F)F)F 7a_200011215507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.8 COc1cc(cc(c1F)F)O 271570a_203496583355_100011218012 [1,1,0,0,0,0|1,0,1]=4 3173 B11R1.8 COc1cc(cc(c1F)O)O 271570a_203496583355_200015524394 [1,1,0,0,0,0|1,0,1]=4 3174 B11R1.8 COc1cc(cc(c1I)C)Cl 34a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.8 COc1cc(cc(c1I)C)Cl 7a_100010254216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3176 B11R1.8 COc1cc(cc(c1N)Br)Cl 34a_100015696055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3177 B11R1.8 COc1cc(cc(c1N)Br)Cl 7a_100015696055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.8 COc1cc(cc(c1N)C)Br 34a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 3179 B11R1.8 COc1cc(cc(c1N)C)Br 7a_100010371313_200000210301 [1,1,0,0,0,0|2,0,0]=4 3180 B11R1.8 COc1cc(cc(c1N)C)O 271570a_203496583355_100000741850 [1,1,0,0,0,0|1,0,1]=4 3181 B11R1.8 COc1cc(cc(c1N)Cl)C 34a_100015906060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3182 B11R1.8 COc1cc(cc(c1N)Cl)C 7a_100015906060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3183 B11R1.8 COc1cc(cc(c1N)F)Br 34a_100015475841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.8 COc1cc(cc(c1N)F)Br 7a_100015475841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.8 COc1cc(cc(c1N)F)Cl 34a_100010883250_200000210301 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.8 COc1cc(cc(c1N)F)Cl 7a_100010883250_200000210301 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.8 COc1cc(cc(c1N)F)F 34a_100011217947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.8 COc1cc(cc(c1N)F)F 7a_100011217947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.8 COc1cc(cc(c1N)O)F 271570a_203496583355_100011004115 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.8 COc1cc(cc(c1O)Br)Cl 271570a_203496583355_100025705407 [1,1,0,0,0,0|1,0,0]=3 3191 B11R1.8 COc1cc(cc(c1O)Cl)Cl 271570a_203496583355_100010292537 [1,1,0,0,0,0|1,0,0]=3 3192 B11R1.8 COc1cc(cc(c1O)F)Br 271570a_203496583355_100010713143 [1,1,0,0,0,0|1,0,0]=3 3193 B11R1.8 COc1cc(cc(c1O)O)F 271570a_203496583355_200010391102 [1,1,0,0,0,0|1,0,0]=3 3194 B11R1.8 CSc1cc(cc(c1O)Br)F 62a_200000210301_200013085147 [1,1,0,0,0,0|1,1,0]=4 3195 B11R1.8 CSc1cc(cc(c1O)Br)F 62a_200013085147_200000210301 [1,1,0,0,0,0|1,1,0]=4 3196 B11R1.8 CSc1cc(cc(c1O)C)C 62a_100011934984_200000210301 [1,1,0,0,0,0|0,1,1]=4 3197 B11R1.8 CSc1cc(cc(c1O)C)C 62a_200000210301_100011934984 [1,1,0,0,0,0|0,1,1]=4 3198 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_100012343667_200000210301 [1,1,0,0,0,0|1,1,0]=4 3199 B11R1.8 CSc1cc(cc(c1O)C)Cl 62a_200000210301_100012343667 [1,1,0,0,0,0|1,1,0]=4 3200 B11R1.8 CSc1cc(cc(c1O)C)N 62a_100010064301_200000210301 [1,1,0,0,0,0|1,1,0]=4 3201 B11R1.8 CSc1cc(cc(c1O)C)N 62a_200000210301_100010064301 [1,1,0,0,0,0|1,1,0]=4 3202 B11R1.8 CSc1cc(cc(c1O)Cl)Cl 62a_200000210301_200012339341 [1,1,0,0,0,0|1,1,0]=4 3203 B11R1.8 CSc1cc(cc(c1O)Cl)Cl 62a_200012339341_200000210301 [1,1,0,0,0,0|1,1,0]=4 3204 B11R1.8 CSc1cc(cc(c1O)F)Br 62a_100013354677_200000210301 [1,1,0,0,0,0|1,1,0]=4 3205 B11R1.8 CSc1cc(cc(c1O)F)Br 62a_200000210301_100013354677 [1,1,0,0,0,0|1,1,0]=4 3206 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200000210301_200135191068 [1,1,0,0,0,0|0,1,1]=4 3207 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200135191068_200000210301 [1,1,0,0,0,0|0,1,1]=4 3208 B11R1.8 CSc1cc(cc(c1O)F)F 62a_100000688693_200000210301 [1,1,0,0,0,0|1,1,0]=4 3209 B11R1.8 CSc1cc(cc(c1O)F)F 62a_200000210301_100000688693 [1,1,0,0,0,0|1,1,0]=4 3210 B11R1.8 CSc1cc(cc(c1O)N)Br 62a_100016071998_200000210301 [1,1,0,0,0,0|1,1,0]=4 3211 B11R1.8 CSc1cc(cc(c1O)N)Br 62a_200000210301_100016071998 [1,1,0,0,0,0|1,1,0]=4 3212 B11R1.8 CSc1cc(cc(c1O)N)F 62a_200000210301_200011217456 [1,1,0,0,0,0|1,1,0]=4 3213 B11R1.8 CSc1cc(cc(c1O)N)F 62a_200011217456_200000210301 [1,1,0,0,0,0|1,1,0]=4 3214 B11R1.8 Cc1[nH]c(=O)cc(c1C)O[13CH3] 34a_200000102741_200025704644 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.8 Cc1[nH]c(=O)cc(c1C)O[13CH3] 7a_200000102741_200025704644 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 34a_100011216242_200025704644 [1,1,0,0,0,0|1,0,1]=4 3217 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 7a_100011216242_200025704644 [1,1,0,0,0,0|1,0,1]=4 3218 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 34a_100010342985_200025704644 [1,1,0,0,0,0|1,0,1]=4 3219 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 7a_100010342985_200025704644 [1,1,0,0,0,0|1,0,1]=4 3220 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 34a_100000230004_200025704644 [1,1,0,0,0,0|1,0,1]=4 3221 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 7a_100000230004_200025704644 [1,1,0,0,0,0|1,0,1]=4 3222 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 34a_100000094344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3223 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 7a_100000094344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3224 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 34a_100015906060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3225 B11R1.8 Cc1cc(c(c(c1)O[13CH3])N)Cl 7a_100015906060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3226 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_100011934984_200025704644 [1,1,0,0,0,0|0,1,1]=4 3227 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_200025704644_100011934984 [1,1,0,0,0,0|0,1,1]=4 3228 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200025704644_200135191068 [1,1,0,0,0,0|0,1,1]=4 3229 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200135191068_200025704644 [1,1,0,0,0,0|0,1,1]=4 3230 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 34a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.8 Cc1cc(cc(c1I)O[13CH3])Cl 7a_100010254216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 34a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.8 Cc1cc(cc(c1N)O[13CH3])Br 7a_100010371313_200025704644 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 34a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.8 Cc1cc(cc(c1O)N[13CH3])Br 7a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 34a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.8 Cc1cc(cc(c1O)N[13CH3])F 7a_100000130126_200025704644 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_100012343667_200025704644 [1,1,0,0,0,0|1,1,0]=4 3239 B11R1.8 Cc1cc(cc(c1O)S[13CH3])Cl 62a_200025704644_100012343667 [1,1,0,0,0,0|1,1,0]=4 3240 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_100010064301_200025704644 [1,1,0,0,0,0|1,1,0]=4 3241 B11R1.8 Cc1cc(cc(c1O)S[13CH3])N 62a_200025704644_100010064301 [1,1,0,0,0,0|1,1,0]=4 3242 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)Br 34a_100010781877_200025704644 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)Cl 34a_106741647128_200025704644 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.8 [13CH3]Nc1cc(cc(c1O)Br)F 34a_200011217456_200025704644 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.8 [13CH3]Nc1cc(cc(c1O)Cl)Br 34a_100000694353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3246 B11R1.8 [13CH3]Nc1cc(cc(c1O)Cl)Cl 34a_100000695819_200025704644 [1,1,0,0,0,0|2,0,0]=4 3247 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)Br 34a_100011217383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3248 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)Br 7a_100011217383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.8 [13CH3]Nc1cc(cc(c1O)F)F 34a_100015205836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3250 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)Cl 34a_100015539415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3251 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)Cl 7a_100015539415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)F 34a_100009815984_200025704644 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.8 [13CH3]Oc1cc(cc(c1Br)F)F 7a_100009815984_200025704644 [1,1,0,0,0,0|2,0,0]=4 3254 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)Cl)N 34a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)Cl)N 7a_100015839415_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)Br 34a_100010981968_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)Br 7a_100010981968_200025704644 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)F 34a_200000037661_200025704644 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.8 [13CH3]Oc1cc(cc(c1Cl)F)F 7a_200000037661_200025704644 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.8 [13CH3]Oc1cc(cc(c1F)Cl)Br 34a_100010077842_200025704644 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.8 [13CH3]Oc1cc(cc(c1F)Cl)Br 7a_100010077842_200025704644 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)Br 34a_100000709865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)Br 7a_100000709865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)F 34a_200011215507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.8 [13CH3]Oc1cc(cc(c1F)F)F 7a_200011215507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.8 [13CH3]Oc1cc(cc(c1N)Br)Cl 34a_100015696055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.8 [13CH3]Oc1cc(cc(c1N)Br)Cl 7a_100015696055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Br 34a_100015475841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Br 7a_100015475841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Cl 34a_100010883250_200025704644 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)Cl 7a_100010883250_200025704644 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)F 34a_100011217947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3273 B11R1.8 [13CH3]Oc1cc(cc(c1N)F)F 7a_100011217947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.8 [13CH3]Sc1cc(cc(c1O)Br)F 62a_200013085147_200025704644 [1,1,0,0,0,0|1,1,0]=4 3275 B11R1.8 [13CH3]Sc1cc(cc(c1O)Br)F 62a_200025704644_200013085147 [1,1,0,0,0,0|1,1,0]=4 3276 B11R1.8 [13CH3]Sc1cc(cc(c1O)Cl)Cl 62a_200012339341_200025704644 [1,1,0,0,0,0|1,1,0]=4 3277 B11R1.8 [13CH3]Sc1cc(cc(c1O)Cl)Cl 62a_200025704644_200012339341 [1,1,0,0,0,0|1,1,0]=4 3278 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)Br 62a_100013354677_200025704644 [1,1,0,0,0,0|1,1,0]=4 3279 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)Br 62a_200025704644_100013354677 [1,1,0,0,0,0|1,1,0]=4 3280 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)F 62a_100000688693_200025704644 [1,1,0,0,0,0|1,1,0]=4 3281 B11R1.8 [13CH3]Sc1cc(cc(c1O)F)F 62a_200025704644_100000688693 [1,1,0,0,0,0|1,1,0]=4 3282 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)Br 62a_100016071998_200025704644 [1,1,0,0,0,0|1,1,0]=4 3283 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)Br 62a_200025704644_100016071998 [1,1,0,0,0,0|1,1,0]=4 3284 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)F 62a_200011217456_200025704644 [1,1,0,0,0,0|1,1,0]=4 3285 B11R1.8 [13CH3]Sc1cc(cc(c1O)N)F 62a_200025704644_200011217456 [1,1,0,0,0,0|1,1,0]=4 3286 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,1,0,0,0,0|2,0,0]=4 3287 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,1,0,0,0,0|1,0,1]=4 3288 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,1,0,0,0,0|2,0,0]=4 3289 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,1,0,0,0,0|2,0,0]=4 3290 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,1,0,0,0,0|1,0,1]=4 3292 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|1,0,1]=4 3295 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|1,0,1]=4 3296 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3297 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3298 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|1,0,1]=4 3299 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3300 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|1,0,1]=4 3302 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|1,0,1]=4 3303 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3304 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3305 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|1,0,1]=4 3306 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3307 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,1,0,0,0,0|1,0,1]=4 3308 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [1,1,0,0,0,0|2,0,0]=4 3309 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3310 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [1,1,0,0,0,0|2,0,0]=4 3311 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,1,0,0,0,0|1,0,1]=4 3312 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,1,0,0,0,0|1,0,1]=4 3313 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,1,0,0,0,0|1,0,1]=4 3317 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,1,0,0,0,0|1,0,1]=4 3318 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3319 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,1,0,0,0,0|1,0,1]=4 3322 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_100121573661_200000210301 [1,1,0,0,0,0|1,1,0]=4 3323 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_200000210301_100121573661 [1,1,0,0,0,0|1,1,0]=4 3324 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_100121573661_200025704644 [1,1,0,0,0,0|1,1,0]=4 3325 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_200025704644_100121573661 [1,1,0,0,0,0|1,1,0]=4 3326 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3327 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3328 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,1,0,0,0,0|1,0,1]=4 3329 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,1,0,0,0,0|1,0,1]=4 3330 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3331 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3332 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3333 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3334 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [1,1,0,0,0,0|2,0,0]=4 3335 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [1,1,0,0,0,0|2,0,0]=4 3336 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,1,0,0,0,0|1,0,1]=4 3337 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,1,0,0,0,0|0,0,2]=4 3338 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 3339 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,1,0,0,0,0|1,0,0]=3 3340 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,1,0,0,0,0|0,0,1]=3 3341 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3342 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,1,0,0,0,0|1,0,1]=4 3343 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,1,0,0,0,0|1,0,1]=4 3344 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3345 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [1,1,0,0,0,0|2,0,0]=4 3346 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,1,0,0,0,0|1,0,1]=4 3348 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 3349 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [1,1,0,0,0,0|1,0,0]=3 3350 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|0,0,1]=3 3351 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [1,1,0,0,0,0|1,0,0]=3 3352 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3353 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3354 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [1,1,0,0,0,0|1,0,0]=3 3355 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,1,0,0,0,0|1,0,0]=3 3356 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [1,1,0,0,0,0|1,1,0]=4 3357 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [1,1,0,0,0,0|1,1,0]=4 3358 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,1,0,0,0,0|0,1,1]=4 3359 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,1,0,0,0,0|0,1,1]=4 3360 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [1,1,0,0,0,0|1,1,0]=4 3361 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [1,1,0,0,0,0|1,1,0]=4 3362 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [1,1,0,0,0,0|1,1,0]=4 3363 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [1,1,0,0,0,0|1,1,0]=4 3364 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,1,0,0,0,0|1,1,0]=4 3365 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,1,0,0,0,0|1,1,0]=4 3366 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,1,0,0,0,0|0,1,1]=4 3367 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,1,0,0,0,0|0,1,1]=4 3368 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [1,1,0,0,0,0|1,1,0]=4 3369 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [1,1,0,0,0,0|1,1,0]=4 3370 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,1,0,0,0,0|0,1,1]=4 3371 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,1,0,0,0,0|0,1,1]=4 3372 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [1,1,0,0,0,0|1,1,0]=4 3373 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [1,1,0,0,0,0|1,1,0]=4 3374 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [1,1,0,0,0,0|1,1,0]=4 3375 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [1,1,0,0,0,0|1,1,0]=4 3376 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,1,0,0,0,0|1,1,0]=4 3377 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,1,0,0,0,0|1,1,0]=4 3378 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,1,0,0,0,0|0,1,1]=4 3379 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|1,0,1]=4 3380 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,1,0,0,0,0|2,0,0]=4 3381 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,1,0,0,0,0|2,0,0]=4 3382 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|1,0,1]=4 3383 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [1,1,0,0,0,0|1,0,1]=4 3385 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,1,0,0,0,0|1,0,1]=4 3387 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,1,0,0,0,0|1,0,1]=4 3388 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 3391 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3392 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [1,1,0,0,0,0|1,0,0]=3 3393 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3394 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|0,0,1]=3 3395 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|0,0,1]=3 3396 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|0,0,1]=3 3397 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [1,1,0,0,0,0|1,0,0]=3 3398 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 3399 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [1,1,0,0,0,0|1,0,0]=3 3400 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3401 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3402 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [1,1,0,0,0,0|1,0,0]=3 3403 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3404 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [1,1,0,0,0,0|1,0,0]=3 3405 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,0]=3 3406 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,1,0,0,0,0|1,0,0]=3 3407 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,1,0,0,0,0|0,0,1]=3 3408 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3409 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3410 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|0,0,1]=3 3411 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|0,0,1]=3 3412 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 3413 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [1,1,0,0,0,0|1,0,0]=3 3414 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3415 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3416 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,0]=3 3417 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [1,1,0,0,0,0|1,1,0]=4 3418 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [1,1,0,0,0,0|1,1,0]=4 3419 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,1,0,0,0,0|0,1,1]=4 3420 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,1,0,0,0,0|0,1,1]=4 3421 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [1,1,0,0,0,0|1,1,0]=4 3422 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [1,1,0,0,0,0|1,1,0]=4 3423 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [1,1,0,0,0,0|1,1,0]=4 3424 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [1,1,0,0,0,0|1,1,0]=4 3425 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,1,0,0,0,0|1,1,0]=4 3426 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,1,0,0,0,0|1,1,0]=4 3427 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [1,1,0,0,0,0|0,1,1]=4 3428 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [1,1,0,0,0,0|0,1,1]=4 3429 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [1,1,0,0,0,0|0,1,1]=4 3430 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [1,1,0,0,0,0|1,1,0]=4 3431 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [1,1,0,0,0,0|1,1,0]=4 3432 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,1,0,0,0,0|0,1,1]=4 3433 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,1,0,0,0,0|0,1,1]=4 3434 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [1,1,0,0,0,0|1,1,0]=4 3435 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [1,1,0,0,0,0|1,1,0]=4 3436 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [1,1,0,0,0,0|1,1,0]=4 3437 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [1,1,0,0,0,0|1,1,0]=4 3438 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,1,0,0,0,0|1,1,0]=4 3439 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,1,0,0,0,0|1,1,0]=4 3440 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [1,1,0,0,0,0|0,1,1]=4 3441 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [1,1,0,0,0,0|0,1,1]=4 3442 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|1,0,1]=4 3444 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [1,1,0,0,0,0|2,0,0]=4 3447 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3448 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|1,0,1]=4 3449 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [1,1,0,0,0,0|1,1,0]=4 3452 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [1,1,0,0,0,0|1,1,0]=4 3453 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [1,1,0,0,0,0|1,1,0]=4 3454 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [1,1,0,0,0,0|1,1,0]=4 3455 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [1,1,0,0,0,0|1,1,0]=4 3456 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [1,1,0,0,0,0|1,1,0]=4 3457 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [1,1,0,0,0,0|0,1,1]=4 3458 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [1,1,0,0,0,0|0,1,1]=4 3459 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,1,0,0,0,0|1,0,1]=4 3460 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,1,0,0,0,0|1,0,1]=4 3461 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,1,0,0,0,0|1,0,1]=4 3462 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3469 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3470 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3471 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [1,1,0,0,0,0|2,0,0]=4 3472 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [1,1,0,0,0,0|2,0,0]=4 3473 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 3474 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,1,0,0,0,0|1,0,0]=3 3475 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [1,1,0,0,0,0|1,1,0]=4 3476 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [1,1,0,0,0,0|1,1,0]=4 3477 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [1,1,0,0,0,0|1,1,0]=4 3478 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [1,1,0,0,0,0|1,1,0]=4 3479 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [1,1,0,0,0,0|1,1,0]=4 3480 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [1,1,0,0,0,0|1,1,0]=4 3481 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [1,1,0,0,0,0|0,1,1]=4 3482 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [1,1,0,0,0,0|0,1,1]=4 3483 B11R1.72 CNc1c(ccc(c1C)Br)O 34a_100013039247_200000210301 [1,1,0,0,0,0|2,0,0]=4 3484 B11R1.72 COc1c(cc[n+](c1C)[O-])O 271570a_203496583355_100000067051 [1,1,0,0,0,0|1,0,1]=4 3485 B11R1.72 COc1c(ccc(c1Br)C)F 34a_200010223207_200000210301 [1,1,0,0,0,0|1,0,1]=4 3486 B11R1.72 COc1c(ccc(c1Br)C)F 7a_200010223207_200000210301 [1,1,0,0,0,0|1,0,1]=4 3487 B11R1.72 COc1c(ccc(c1Br)F)F 34a_100010170822_200000210301 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.72 COc1c(ccc(c1Br)F)F 7a_100010170822_200000210301 [1,1,0,0,0,0|2,0,0]=4 3489 B11R1.72 COc1c(ccc(c1Br)F)N 34a_100010128263_200000210301 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.72 COc1c(ccc(c1Br)F)N 7a_100010128263_200000210301 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.72 COc1c(ccc(c1C)C)C 34a_100000211305_200000210301 [1,1,0,0,0,0|1,0,1]=4 3492 B11R1.72 COc1c(ccc(c1C)C)C 7a_100000211305_200000210301 [1,1,0,0,0,0|1,0,1]=4 3493 B11R1.72 COc1c(ccc(c1C)Cl)Br 34a_200010391122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3494 B11R1.72 COc1c(ccc(c1C)Cl)Br 7a_200010391122_200000210301 [1,1,0,0,0,0|2,0,0]=4 3495 B11R1.72 COc1c(ccc(c1C)F)Br 34a_200010391124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3496 B11R1.72 COc1c(ccc(c1C)F)Br 7a_200010391124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B11R1.72 COc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3498 B11R1.72 COc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200000210301 [1,1,0,0,0,0|2,0,0]=4 3499 B11R1.72 COc1c(ccc(c1Cl)C)Cl 34a_200000087117_200000210301 [1,1,0,0,0,0|1,0,1]=4 3500 B11R1.72 COc1c(ccc(c1Cl)C)Cl 7a_200000087117_200000210301 [1,1,0,0,0,0|1,0,1]=4 3501 B11R1.72 COc1c(ccc(c1Cl)C)F 34a_100000035349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3502 B11R1.72 COc1c(ccc(c1Cl)C)F 7a_100000035349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3503 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3504 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200000210301 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.72 COc1c(ccc(c1Cl)Cl)F 34a_100000062035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.72 COc1c(ccc(c1Cl)Cl)F 7a_100000062035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.72 COc1c(ccc(c1Cl)F)Br 34a_100014979575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.72 COc1c(ccc(c1Cl)F)Br 7a_100014979575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.72 COc1c(ccc(c1Cl)F)F 34a_100000038336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3510 B11R1.72 COc1c(ccc(c1Cl)F)F 7a_100000038336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3511 B11R1.72 COc1c(ccc(c1Cl)N)C 34a_100000036876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3512 B11R1.72 COc1c(ccc(c1Cl)N)C 7a_100000036876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3513 B11R1.72 COc1c(ccc(c1F)Br)Cl 34a_100010240321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3514 B11R1.72 COc1c(ccc(c1F)Br)Cl 7a_100010240321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3515 B11R1.72 COc1c(ccc(c1F)Br)F 34a_100010167067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3516 B11R1.72 COc1c(ccc(c1F)Br)F 7a_100010167067_200000210301 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.72 COc1c(ccc(c1F)C)Br 34a_100000722096_200000210301 [1,1,0,0,0,0|1,0,1]=4 3518 B11R1.72 COc1c(ccc(c1F)C)Br 7a_100000722096_200000210301 [1,1,0,0,0,0|1,0,1]=4 3519 B11R1.72 COc1c(ccc(c1F)C)Cl 34a_200000034537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3520 B11R1.72 COc1c(ccc(c1F)C)Cl 7a_200000034537_200000210301 [1,1,0,0,0,0|1,0,1]=4 3521 B11R1.72 COc1c(ccc(c1F)C)F 34a_100011216644_200000210301 [1,1,0,0,0,0|1,0,1]=4 3522 B11R1.72 COc1c(ccc(c1F)C)F 7a_100011216644_200000210301 [1,1,0,0,0,0|1,0,1]=4 3523 B11R1.72 COc1c(ccc(c1F)C)O 271570a_203496583355_100010081143 [1,1,0,0,0,0|0,0,1]=3 3524 B11R1.72 COc1c(ccc(c1F)Cl)Br 34a_100010081130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3525 B11R1.72 COc1c(ccc(c1F)Cl)Br 7a_100010081130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3526 B11R1.72 COc1c(ccc(c1F)Cl)F 34a_100000034634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3527 B11R1.72 COc1c(ccc(c1F)Cl)F 7a_100000034634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3528 B11R1.72 COc1c(ccc(c1F)F)Br 34a_100010243909_200000210301 [1,1,0,0,0,0|2,0,0]=4 3529 B11R1.72 COc1c(ccc(c1F)F)Br 7a_100010243909_200000210301 [1,1,0,0,0,0|2,0,0]=4 3530 B11R1.72 COc1c(ccc(c1F)F)F 34a_100000031686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3531 B11R1.72 COc1c(ccc(c1F)F)F 7a_100000031686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3532 B11R1.72 COc1c(ccc(c1F)F)N 34a_100015205010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3533 B11R1.72 COc1c(ccc(c1F)F)N 7a_100015205010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3534 B11R1.72 COc1c(ccc(c1F)F)O 271570a_203496583355_100010223324 [1,1,0,0,0,0|1,0,0]=3 3535 B11R1.72 COc1c(ccc(c1F)I)Br 34a_200010782288_200000210301 [1,1,0,0,0,0|2,0,0]=4 3536 B11R1.72 COc1c(ccc(c1F)I)Br 7a_200010782288_200000210301 [1,1,0,0,0,0|2,0,0]=4 3537 B11R1.72 COc1c(ccc(c1F)O)Cl 271570a_203496583355_200135222481 [1,1,0,0,0,0|1,0,1]=4 3538 B11R1.72 COc1c(ccc(c1F)O)N 271570a_203496583355_100010734149 [1,1,0,0,0,0|1,0,1]=4 3539 B11R1.72 COc1c(ccc(c1O)F)Br 271570a_203496583355_200034458476 [1,1,0,0,0,0|2,0,0]=4 3540 B11R1.72 COc1c(ccc(c1O)F)F 271570a_203496583355_100010254772 [1,1,0,0,0,0|2,0,0]=4 3541 B11R1.72 COc1c(ccc(c1O)F)N 271570a_203496583355_102516457224 [1,1,0,0,0,0|2,0,0]=4 3542 B11R1.72 COc1c(ccc(c1O)F)O 271570a_203496583355_200010167157 [1,1,0,0,0,0|1,0,0]=3 3543 B11R1.72 CSc1c(ccc(c1F)C)O 271570a_203496583355_200134762213 [1,1,0,0,0,0|0,1,1]=4 3544 B11R1.72 Cc1c(ccc(c1N[13CH3])O)Br 34a_100013039247_200025704644 [1,1,0,0,0,0|2,0,0]=4 3545 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)Cl 34a_200010391122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3546 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)Cl 7a_200010391122_200025704644 [1,1,0,0,0,0|2,0,0]=4 3547 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)F 34a_200010391124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3548 B11R1.72 Cc1c(ccc(c1O[13CH3])Br)F 7a_200010391124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3549 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 34a_200010223207_200025704644 [1,1,0,0,0,0|1,0,1]=4 3550 B11R1.72 Cc1ccc(c(c1Br)O[13CH3])F 7a_200010223207_200025704644 [1,1,0,0,0,0|1,0,1]=4 3551 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 34a_100000211305_200025704644 [1,1,0,0,0,0|1,0,1]=4 3552 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 7a_100000211305_200025704644 [1,1,0,0,0,0|1,0,1]=4 3553 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 34a_200000087117_200025704644 [1,1,0,0,0,0|1,0,1]=4 3554 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])Cl 7a_200000087117_200025704644 [1,1,0,0,0,0|1,0,1]=4 3555 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 34a_100000035349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3556 B11R1.72 Cc1ccc(c(c1Cl)O[13CH3])F 7a_100000035349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3557 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 34a_100000722096_200025704644 [1,1,0,0,0,0|1,0,1]=4 3558 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Br 7a_100000722096_200025704644 [1,1,0,0,0,0|1,0,1]=4 3559 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 34a_200000034537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3560 B11R1.72 Cc1ccc(c(c1F)O[13CH3])Cl 7a_200000034537_200025704644 [1,1,0,0,0,0|1,0,1]=4 3561 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 34a_100011216644_200025704644 [1,1,0,0,0,0|1,0,1]=4 3562 B11R1.72 Cc1ccc(c(c1F)O[13CH3])F 7a_100011216644_200025704644 [1,1,0,0,0,0|1,0,1]=4 3563 B11R1.72 Cc1ccc(c(c1O[13CH3])Cl)N 34a_100000036876_200025704644 [1,1,0,0,0,0|2,0,0]=4 3564 B11R1.72 Cc1ccc(c(c1O[13CH3])Cl)N 7a_100000036876_200025704644 [1,1,0,0,0,0|2,0,0]=4 3565 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)F 34a_100010170822_200025704644 [1,1,0,0,0,0|2,0,0]=4 3566 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)F 7a_100010170822_200025704644 [1,1,0,0,0,0|2,0,0]=4 3567 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)N 34a_100010128263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3568 B11R1.72 [13CH3]Oc1c(ccc(c1Br)F)N 7a_100010128263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3569 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Br)Cl 34a_100010089855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3570 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Br)Cl 7a_100010089855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3571 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3572 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_200025704644 [1,1,0,0,0,0|2,0,0]=4 3573 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)F 34a_100000062035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3574 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)Cl)F 7a_100000062035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3575 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)Br 34a_100014979575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3576 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)Br 7a_100014979575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3577 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)F 34a_100000038336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3578 B11R1.72 [13CH3]Oc1c(ccc(c1Cl)F)F 7a_100000038336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3579 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)Cl 34a_100010240321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)Cl 7a_100010240321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3581 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)F 34a_100010167067_200025704644 [1,1,0,0,0,0|2,0,0]=4 3582 B11R1.72 [13CH3]Oc1c(ccc(c1F)Br)F 7a_100010167067_200025704644 [1,1,0,0,0,0|2,0,0]=4 3583 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)Br 34a_100010081130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3584 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)Br 7a_100010081130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3585 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)F 34a_100000034634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3586 B11R1.72 [13CH3]Oc1c(ccc(c1F)Cl)F 7a_100000034634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3587 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)Br 34a_100010243909_200025704644 [1,1,0,0,0,0|2,0,0]=4 3588 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)Br 7a_100010243909_200025704644 [1,1,0,0,0,0|2,0,0]=4 3589 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)F 34a_100000031686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3590 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)F 7a_100000031686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3591 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)N 34a_100015205010_200025704644 [1,1,0,0,0,0|2,0,0]=4 3592 B11R1.72 [13CH3]Oc1c(ccc(c1F)F)N 7a_100015205010_200025704644 [1,1,0,0,0,0|2,0,0]=4 3593 B11R1.72 [13CH3]Oc1c(ccc(c1F)I)Br 34a_200010782288_200025704644 [1,1,0,0,0,0|2,0,0]=4 3594 B11R1.72 [13CH3]Oc1c(ccc(c1F)I)Br 7a_200010782288_200025704644 [1,1,0,0,0,0|2,0,0]=4 3595 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [1,1,0,0,0,0|2,0,0]=4 3596 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|1,0,1]=4 3597 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [1,1,0,0,0,0|2,0,0]=4 3598 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [1,1,0,0,0,0|2,0,0]=4 3599 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [1,1,0,0,0,0|2,0,0]=4 3600 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|1,0,1]=4 3601 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3602 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|2,0,0]=4 3603 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,1]=4 3604 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,1]=4 3605 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|2,0,0]=4 3606 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3607 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|2,0,0]=4 3608 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3609 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|2,0,0]=4 3610 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,1]=4 3611 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,1]=4 3612 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [1,1,0,0,0,0|2,0,0]=4 3613 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [1,1,0,0,0,0|1,0,1]=4 3614 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [1,1,0,0,0,0|1,0,1]=4 3616 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,1]=4 3618 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,1]=4 3623 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,1,0,0,0,0|2,0,0]=4 3624 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|1,0,1]=4 3625 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,1,0,0,0,0|2,0,0]=4 3626 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,1,0,0,0,0|2,0,0]=4 3627 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,1,0,0,0,0|1,0,1]=4 3629 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,1,0,0,0,0|2,0,0]=4 3630 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|1,0,1]=4 3631 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,1,0,0,0,0|2,0,0]=4 3632 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,1,0,0,0,0|2,0,0]=4 3633 B11R1.182 CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210202 [1,1,0,0,0,0|2,0,0]=4 3634 B11R1.182 CCOc1cc(ccc1Br)Br 34a_100011220040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3635 B11R1.182 CCOc1cc(ccc1Br)Br 7a_100011220040_100000210202 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3637 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3638 B11R1.182 CCOc1cc(ccc1Br)Cl 34a_100012339455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.182 CCOc1cc(ccc1Br)Cl 7a_100012339455_100000210202 [1,1,0,0,0,0|2,0,0]=4 3640 B11R1.182 CCOc1cc(ccc1Br)F 34a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 3641 B11R1.182 CCOc1cc(ccc1Br)F 7a_100000690578_100000210202 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.182 CCOc1cc(ccc1Br)I 34a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 3643 B11R1.182 CCOc1cc(ccc1Br)I 7a_100012356990_100000210202 [1,1,0,0,0,0|2,0,0]=4 3644 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 3645 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 3646 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,1,0,0,0,0|1,0,1]=4 3647 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,1,0,0,0,0|1,0,1]=4 3648 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 3649 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 3650 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3651 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 3652 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,1,0,0,0,0|1,0,1]=4 3656 B11R1.182 CCOc1cc(ccc1Cl)Br 34a_100000738945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.182 CCOc1cc(ccc1Cl)Br 7a_100000738945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3658 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,1,0,0,0,0|1,0,1]=4 3659 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,1,0,0,0,0|1,0,1]=4 3660 B11R1.182 CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210202 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.182 CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210202 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.182 CCOc1cc(ccc1Cl)F 34a_100000692107_100000210202 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.182 CCOc1cc(ccc1Cl)F 7a_100000692107_100000210202 [1,1,0,0,0,0|2,0,0]=4 3664 B11R1.182 CCOc1cc(ccc1Cl)I 34a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.182 CCOc1cc(ccc1Cl)I 7a_100011356854_100000210202 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.182 CCOc1cc(ccc1Cl)N 34a_100011934209_100000210202 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.182 CCOc1cc(ccc1F)Br 34a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.182 CCOc1cc(ccc1F)Br 7a_100000686035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3669 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3670 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3671 B11R1.182 CCOc1cc(ccc1F)Cl 34a_100000757397_100000210202 [1,1,0,0,0,0|2,0,0]=4 3672 B11R1.182 CCOc1cc(ccc1F)Cl 7a_100000757397_100000210202 [1,1,0,0,0,0|2,0,0]=4 3673 B11R1.182 CCOc1cc(ccc1F)F 34a_100000752141_100000210202 [1,1,0,0,0,0|2,0,0]=4 3674 B11R1.182 CCOc1cc(ccc1F)F 7a_100000752141_100000210202 [1,1,0,0,0,0|2,0,0]=4 3675 B11R1.182 CCOc1cc(ccc1F)I 34a_100009958187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3676 B11R1.182 CCOc1cc(ccc1F)I 7a_100009958187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3677 B11R1.182 CCOc1cc(ccc1F)N 34a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 3678 B11R1.182 CCOc1cc(ccc1F)N 7a_100012017398_100000210202 [1,1,0,0,0,0|2,0,0]=4 3679 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [1,1,0,0,0,0|1,0,1]=4 3680 B11R1.182 CCOc1cc(ccc1I)Br 34a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3681 B11R1.182 CCOc1cc(ccc1I)Br 7a_100012344904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3682 B11R1.182 CCOc1cc(ccc1I)Cl 34a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3683 B11R1.182 CCOc1cc(ccc1I)Cl 7a_100000050036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3684 B11R1.182 CCOc1cc(ccc1I)F 34a_100010084537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.182 CCOc1cc(ccc1I)F 7a_100010084537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3686 B11R1.182 CCOc1cc(ccc1N)Br 34a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3687 B11R1.182 CCOc1cc(ccc1N)Br 7a_100000739049_100000210202 [1,1,0,0,0,0|2,0,0]=4 3688 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,1,0,0,0,0|1,0,1]=4 3689 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,1,0,0,0,0|1,0,1]=4 3690 B11R1.182 CCOc1cc(ccc1N)Cl 34a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 3691 B11R1.182 CCOc1cc(ccc1N)Cl 7a_100000185728_100000210202 [1,1,0,0,0,0|2,0,0]=4 3692 B11R1.182 CCOc1cc(ccc1N)F 34a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 3693 B11R1.182 CCOc1cc(ccc1N)F 7a_100000753323_100000210202 [1,1,0,0,0,0|2,0,0]=4 3694 B11R1.182 CCOc1cc(ccc1N)I 34a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3695 B11R1.182 CCOc1cc(ccc1N)I 7a_100000057187_100000210202 [1,1,0,0,0,0|2,0,0]=4 3696 B11R1.182 CCOc1cc(ccc1N)N 34a_100025717382_100000210202 [1,1,0,0,0,0|2,0,0]=4 3697 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [1,1,0,0,0,0|1,0,1]=4 3698 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|0,0,1]=3 3699 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,1,0,0,0,0|1,0,0]=3 3700 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,1,0,0,0,0|1,0,0]=3 3701 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,1,0,0,0,0|1,1,0]=4 3702 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,1,0,0,0,0|1,1,0]=4 3703 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|0,1,1]=4 3704 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|0,1,1]=4 3705 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,1,0,0,0,0|1,1,0]=4 3706 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,1,0,0,0,0|1,1,0]=4 3707 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,1,0,0,0,0|1,1,0]=4 3708 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,1,0,0,0,0|1,1,0]=4 3709 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,1,0,0,0,0|1,1,0]=4 3710 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,1,0,0,0,0|1,1,0]=4 3711 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,1,0,0,0,0|0,1,1]=4 3712 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3714 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,1,0,0,0,0|2,0,0]=4 3715 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,1,0,0,0,0|2,0,0]=4 3716 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,1,0,0,0,0|1,0,1]=4 3717 B11R1.182 COCc1cc(ccc1Br)Br 34a_100011266457_200000210301 [1,1,0,0,0,0|2,0,0]=4 3718 B11R1.182 COCc1cc(ccc1Br)Br 34a_100138415774_100011982794 [1,1,0,0,0,0|2,0,0]=4 3719 B11R1.182 COCc1cc(ccc1Br)Br 7a_100011266457_200000210301 [1,1,0,0,0,0|2,0,0]=4 3720 B11R1.182 COCc1cc(ccc1Br)C 34a_100012361352_200000210301 [1,1,0,0,0,0|1,0,1]=4 3721 B11R1.182 COCc1cc(ccc1Br)C 7a_100012361352_200000210301 [1,1,0,0,0,0|1,0,1]=4 3722 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100012355668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3723 B11R1.182 COCc1cc(ccc1Br)Cl 34a_100138415774_100000733903 [1,1,0,0,0,0|2,0,0]=4 3724 B11R1.182 COCc1cc(ccc1Br)Cl 7a_100012355668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.182 COCc1cc(ccc1Br)F 34a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3726 B11R1.182 COCc1cc(ccc1Br)F 34a_100138415774_100000736370 [1,1,0,0,0,0|2,0,0]=4 3727 B11R1.182 COCc1cc(ccc1Br)F 7a_100011217561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3728 B11R1.182 COCc1cc(ccc1Br)I 34a_100138415774_100012355412 [1,1,0,0,0,0|2,0,0]=4 3729 B11R1.182 COCc1cc(ccc1Br)I 7a_100012359683_200000210301 [1,1,0,0,0,0|2,0,0]=4 3730 B11R1.182 COCc1cc(ccc1Br)N 34a_100012347228_200000210301 [1,1,0,0,0,0|2,0,0]=4 3731 B11R1.182 COCc1cc(ccc1Br)O 271570a_203496583355_202125822959 [1,1,0,0,0,0|1,0,1]=4 3732 B11R1.182 COCc1cc(ccc1C)Br 34a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3733 B11R1.182 COCc1cc(ccc1C)Br 7a_100000700630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3734 B11R1.182 COCc1cc(ccc1C)C 34a_100138415774_100000184699 [1,1,0,0,0,0|1,0,1]=4 3735 B11R1.182 COCc1cc(ccc1C)C 34a_200011215349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3736 B11R1.182 COCc1cc(ccc1C)C 7a_200011215349_200000210301 [1,1,0,0,0,0|1,0,1]=4 3737 B11R1.182 COCc1cc(ccc1C)Cl 34a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 3738 B11R1.182 COCc1cc(ccc1C)Cl 34a_100138415774_100012186985 [1,1,0,0,0,0|2,0,0]=4 3739 B11R1.182 COCc1cc(ccc1C)Cl 7a_100012002407_200000210301 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.182 COCc1cc(ccc1C)F 34a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.182 COCc1cc(ccc1C)F 34a_100138415774_100000709795 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.182 COCc1cc(ccc1C)F 7a_100011219218_200000210301 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.182 COCc1cc(ccc1C)I 34a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.182 COCc1cc(ccc1C)I 7a_100010150140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100011215897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.182 COCc1cc(ccc1Cl)Br 34a_100138415774_100000763347 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.182 COCc1cc(ccc1Cl)Br 7a_100011215897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.182 COCc1cc(ccc1Cl)C 34a_100009878994_200000210301 [1,1,0,0,0,0|1,0,1]=4 3749 B11R1.182 COCc1cc(ccc1Cl)C 34a_100138415774_100009871730 [1,1,0,0,0,0|1,0,1]=4 3750 B11R1.182 COCc1cc(ccc1Cl)C 7a_100009878994_200000210301 [1,1,0,0,0,0|1,0,1]=4 3751 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100000698905_200000210301 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.182 COCc1cc(ccc1Cl)Cl 34a_100138415774_100000756322 [1,1,0,0,0,0|2,0,0]=4 3753 B11R1.182 COCc1cc(ccc1Cl)Cl 7a_100000698905_200000210301 [1,1,0,0,0,0|2,0,0]=4 3754 B11R1.182 COCc1cc(ccc1Cl)F 34a_100011218361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3755 B11R1.182 COCc1cc(ccc1Cl)F 34a_100138415774_100000709952 [1,1,0,0,0,0|2,0,0]=4 3756 B11R1.182 COCc1cc(ccc1Cl)F 7a_100011218361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3757 B11R1.182 COCc1cc(ccc1Cl)I 34a_100010128486_200000210301 [1,1,0,0,0,0|2,0,0]=4 3758 B11R1.182 COCc1cc(ccc1Cl)I 34a_100138415774_100010188191 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.182 COCc1cc(ccc1Cl)I 7a_100010128486_200000210301 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.182 COCc1cc(ccc1Cl)N 34a_100011273577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.182 COCc1cc(ccc1F)Br 34a_100000246282_200000210301 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.182 COCc1cc(ccc1F)Br 34a_100138415774_100000736399 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.182 COCc1cc(ccc1F)Br 7a_100000246282_200000210301 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.182 COCc1cc(ccc1F)C 34a_100011692775_200000210301 [1,1,0,0,0,0|1,0,1]=4 3765 B11R1.182 COCc1cc(ccc1F)C 34a_100138415774_100011260760 [1,1,0,0,0,0|1,0,1]=4 3766 B11R1.182 COCc1cc(ccc1F)C 7a_100011692775_200000210301 [1,1,0,0,0,0|1,0,1]=4 3767 B11R1.182 COCc1cc(ccc1F)Cl 34a_100011217248_200000210301 [1,1,0,0,0,0|2,0,0]=4 3768 B11R1.182 COCc1cc(ccc1F)Cl 34a_100138415774_100000716957 [1,1,0,0,0,0|2,0,0]=4 3769 B11R1.182 COCc1cc(ccc1F)Cl 7a_100011217248_200000210301 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.182 COCc1cc(ccc1F)F 34a_100011217725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.182 COCc1cc(ccc1F)F 34a_100138415774_100000741279 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.182 COCc1cc(ccc1F)F 7a_100011217725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.182 COCc1cc(ccc1F)I 34a_100000049604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.182 COCc1cc(ccc1F)I 34a_100138415774_200010149601 [1,1,0,0,0,0|2,0,0]=4 3775 B11R1.182 COCc1cc(ccc1F)I 7a_100000049604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3776 B11R1.182 COCc1cc(ccc1F)N 34a_100011218011_200000210301 [1,1,0,0,0,0|2,0,0]=4 3777 B11R1.182 COCc1cc(ccc1F)O 271570a_203496583355_100010140362 [1,1,0,0,0,0|1,0,1]=4 3778 B11R1.182 COCc1cc(ccc1I)Br 34a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3779 B11R1.182 COCc1cc(ccc1I)Br 34a_100138415774_100012362523 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.182 COCc1cc(ccc1I)Br 7a_100011356890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3781 B11R1.182 COCc1cc(ccc1I)Cl 34a_100138415774_100012348826 [1,1,0,0,0,0|2,0,0]=4 3782 B11R1.182 COCc1cc(ccc1I)F 34a_100010255287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3783 B11R1.182 COCc1cc(ccc1I)F 34a_100138415774_100010149606 [1,1,0,0,0,0|2,0,0]=4 3784 B11R1.182 COCc1cc(ccc1I)F 7a_100010255287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3785 B11R1.182 COCc1cc(ccc1N)Br 34a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3786 B11R1.182 COCc1cc(ccc1N)Br 7a_100012353972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3787 B11R1.182 COCc1cc(ccc1N)C 34a_100011215565_200000210301 [1,1,0,0,0,0|1,0,1]=4 3788 B11R1.182 COCc1cc(ccc1N)C 7a_100011215565_200000210301 [1,1,0,0,0,0|1,0,1]=4 3789 B11R1.182 COCc1cc(ccc1N)Cl 34a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3790 B11R1.182 COCc1cc(ccc1N)Cl 7a_100011214999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3791 B11R1.182 COCc1cc(ccc1N)F 34a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3792 B11R1.182 COCc1cc(ccc1N)F 7a_100011296978_200000210301 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,1,0,0,0,0|1,0,0]=3 3794 B11R1.182 COCc1nc(ccc1O)C 34a_100138415774_100020630696 [1,1,0,0,0,0|1,0,1]=4 3795 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,1,0,0,0,0|1,1,0]=4 3796 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,1,0,0,0,0|1,1,0]=4 3797 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 34a_100012361352_200025704644 [1,1,0,0,0,0|1,0,1]=4 3798 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Br 7a_100012361352_200025704644 [1,1,0,0,0,0|1,0,1]=4 3799 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 34a_200011215349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3800 B11R1.182 Cc1ccc(c(c1)CO[13CH3])C 7a_200011215349_200025704644 [1,1,0,0,0,0|1,0,1]=4 3801 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 34a_100009878994_200025704644 [1,1,0,0,0,0|1,0,1]=4 3802 B11R1.182 Cc1ccc(c(c1)CO[13CH3])Cl 7a_100009878994_200025704644 [1,1,0,0,0,0|1,0,1]=4 3803 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 34a_100011692775_200025704644 [1,1,0,0,0,0|1,0,1]=4 3804 B11R1.182 Cc1ccc(c(c1)CO[13CH3])F 7a_100011692775_200025704644 [1,1,0,0,0,0|1,0,1]=4 3805 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 34a_100011215565_200025704644 [1,1,0,0,0,0|1,0,1]=4 3806 B11R1.182 Cc1ccc(c(c1)CO[13CH3])N 7a_100011215565_200025704644 [1,1,0,0,0,0|1,0,1]=4 3807 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,1,0,0,0,0|1,0,1]=4 3808 B11R1.182 Cc1ccc(c(c1)OCF)Br 34a_100012002257_100015361967 [1,1,0,0,0,0|1,0,1]=4 3809 B11R1.182 Cc1ccc(c(c1)OCF)Br 7a_100012002257_100015361967 [1,1,0,0,0,0|1,0,1]=4 3810 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,1,0,0,0,0|1,0,1]=4 3811 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,1,0,0,0,0|1,0,1]=4 3812 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,1,0,0,0,0|1,0,1]=4 3813 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,1,0,0,0,0|1,0,1]=4 3814 B11R1.182 Cc1ccc(c(c1)OCF)F 34a_100000759540_100015361967 [1,1,0,0,0,0|1,0,1]=4 3815 B11R1.182 Cc1ccc(c(c1)OCF)F 7a_100000759540_100015361967 [1,1,0,0,0,0|1,0,1]=4 3816 B11R1.182 Cc1ccc(c(c1)OCF)N 34a_100000211527_100015361967 [1,1,0,0,0,0|1,0,1]=4 3817 B11R1.182 Cc1ccc(c(c1)OCF)N 7a_100000211527_100015361967 [1,1,0,0,0,0|1,0,1]=4 3818 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,1,0,0,0,0|0,1,1]=4 3819 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,1,0,0,0,0|0,1,1]=4 3820 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 34a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.182 Cc1ccc(cc1CO[13CH3])Br 7a_100000700630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 34a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.182 Cc1ccc(cc1CO[13CH3])Cl 7a_100012002407_200025704644 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.182 Cc1ccc(cc1CO[13CH3])F 34a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.182 Cc1ccc(cc1CO[13CH3])F 7a_100011219218_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.182 Cc1ccc(cc1CO[13CH3])I 34a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3827 B11R1.182 Cc1ccc(cc1CO[13CH3])I 7a_100010150140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3828 B11R1.182 Cc1ccc(cc1OCF)Br 34a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 3829 B11R1.182 Cc1ccc(cc1OCF)Br 7a_100000685420_100015361967 [1,1,0,0,0,0|2,0,0]=4 3830 B11R1.182 Cc1ccc(cc1OCF)Cl 34a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 3831 B11R1.182 Cc1ccc(cc1OCF)Cl 7a_100000756515_100015361967 [1,1,0,0,0,0|2,0,0]=4 3832 B11R1.182 Cc1ccc(cc1OCF)F 34a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 3833 B11R1.182 Cc1ccc(cc1OCF)F 7a_100000690566_100015361967 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.182 Cc1ccc(cc1OCF)I 7a_100000766334_100015361967 [1,1,0,0,0,0|2,0,0]=4 3835 B11R1.182 Cc1ccc(cc1OCF)N 34a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.182 Cc1ccc(cc1OCF)N 7a_100000759471_100015361967 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.182 FCOc1cc(ccc1Br)Br 34a_100011220040_100015361967 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.182 FCOc1cc(ccc1Br)Br 7a_100011220040_100015361967 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.182 FCOc1cc(ccc1Br)Cl 34a_100012339455_100015361967 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.182 FCOc1cc(ccc1Br)Cl 7a_100012339455_100015361967 [1,1,0,0,0,0|2,0,0]=4 3841 B11R1.182 FCOc1cc(ccc1Br)F 34a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 3842 B11R1.182 FCOc1cc(ccc1Br)F 7a_100000690578_100015361967 [1,1,0,0,0,0|2,0,0]=4 3843 B11R1.182 FCOc1cc(ccc1Br)I 34a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 3844 B11R1.182 FCOc1cc(ccc1Br)I 7a_100012356990_100015361967 [1,1,0,0,0,0|2,0,0]=4 3845 B11R1.182 FCOc1cc(ccc1Cl)Br 34a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 3846 B11R1.182 FCOc1cc(ccc1Cl)Br 7a_100000738945_100015361967 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.182 FCOc1cc(ccc1Cl)Cl 34a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.182 FCOc1cc(ccc1Cl)Cl 7a_100000211422_100015361967 [1,1,0,0,0,0|2,0,0]=4 3849 B11R1.182 FCOc1cc(ccc1Cl)F 34a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3850 B11R1.182 FCOc1cc(ccc1Cl)F 7a_100000692107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.182 FCOc1cc(ccc1Cl)I 34a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.182 FCOc1cc(ccc1Cl)I 7a_100011356854_100015361967 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.182 FCOc1cc(ccc1F)Br 34a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.182 FCOc1cc(ccc1F)Br 7a_100000686035_100015361967 [1,1,0,0,0,0|2,0,0]=4 3855 B11R1.182 FCOc1cc(ccc1F)Cl 34a_100000757397_100015361967 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.182 FCOc1cc(ccc1F)Cl 7a_100000757397_100015361967 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.182 FCOc1cc(ccc1F)F 34a_100000752141_100015361967 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.182 FCOc1cc(ccc1F)F 7a_100000752141_100015361967 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.182 FCOc1cc(ccc1F)I 34a_100009958187_100015361967 [1,1,0,0,0,0|2,0,0]=4 3860 B11R1.182 FCOc1cc(ccc1F)I 7a_100009958187_100015361967 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.182 FCOc1cc(ccc1I)Br 34a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.182 FCOc1cc(ccc1I)Br 7a_100012344904_100015361967 [1,1,0,0,0,0|2,0,0]=4 3863 B11R1.182 FCOc1cc(ccc1I)Cl 34a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.182 FCOc1cc(ccc1I)Cl 7a_100000050036_100015361967 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.182 FCOc1cc(ccc1I)F 34a_100010084537_100015361967 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.182 FCOc1cc(ccc1I)F 7a_100010084537_100015361967 [1,1,0,0,0,0|2,0,0]=4 3867 B11R1.182 Nc1ccc(c(c1)OCF)Cl 34a_100011934209_100015361967 [1,1,0,0,0,0|2,0,0]=4 3868 B11R1.182 Nc1ccc(c(c1)OCF)F 34a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.182 Nc1ccc(c(c1)OCF)F 7a_100012017398_100015361967 [1,1,0,0,0,0|2,0,0]=4 3870 B11R1.182 Nc1ccc(c(c1)OCF)N 34a_100025717382_100015361967 [1,1,0,0,0,0|2,0,0]=4 3871 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100011534360_100015361967 [1,1,0,0,0,0|1,1,0]=4 3872 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100015361967_100011534360 [1,1,0,0,0,0|1,1,0]=4 3873 B11R1.182 Nc1ccc(cc1OCF)Br 34a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 3874 B11R1.182 Nc1ccc(cc1OCF)Br 7a_100000739049_100015361967 [1,1,0,0,0,0|2,0,0]=4 3875 B11R1.182 Nc1ccc(cc1OCF)Cl 34a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 3876 B11R1.182 Nc1ccc(cc1OCF)Cl 7a_100000185728_100015361967 [1,1,0,0,0,0|2,0,0]=4 3877 B11R1.182 Nc1ccc(cc1OCF)F 34a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 3878 B11R1.182 Nc1ccc(cc1OCF)F 7a_100000753323_100015361967 [1,1,0,0,0,0|2,0,0]=4 3879 B11R1.182 Nc1ccc(cc1OCF)I 34a_100000057187_100015361967 [1,1,0,0,0,0|2,0,0]=4 3880 B11R1.182 Nc1ccc(cc1OCF)I 7a_100000057187_100015361967 [1,1,0,0,0,0|2,0,0]=4 3881 B11R1.182 O=c1cc(c(c[nH]1)Cl)OCF 34a_100000069390_100015361967 [1,1,0,0,0,0|2,0,0]=4 3882 B11R1.182 Oc1ccc(c(c1)SCF)O 62a_100015361967_100009813629 [1,1,0,0,0,0|0,1,1]=4 3883 B11R1.182 Oc1ccc(cc1NCF)Br 34a_100000752626_100015361967 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.182 Oc1ccc(cc1NCF)Cl 34a_100000210500_100015361967 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.182 Oc1ccc(cc1NCF)F 34a_100000759472_100015361967 [1,1,0,0,0,0|2,0,0]=4 3886 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100012355227_100015361967 [1,1,0,0,0,0|1,1,0]=4 3887 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100015361967_100012355227 [1,1,0,0,0,0|1,1,0]=4 3888 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100011356953_100015361967 [1,1,0,0,0,0|1,1,0]=4 3889 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100015361967_100011356953 [1,1,0,0,0,0|1,1,0]=4 3890 B11R1.182 Oc1ccc(cc1SCF)F 62a_100000211999_100015361967 [1,1,0,0,0,0|1,1,0]=4 3891 B11R1.182 Oc1ccc(cc1SCF)F 62a_100015361967_100000211999 [1,1,0,0,0,0|1,1,0]=4 3892 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 34a_100011266457_200025704644 [1,1,0,0,0,0|2,0,0]=4 3895 B11R1.182 [13CH3]OCc1cc(ccc1Br)Br 7a_100011266457_200025704644 [1,1,0,0,0,0|2,0,0]=4 3896 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 34a_100012355668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.182 [13CH3]OCc1cc(ccc1Br)Cl 7a_100012355668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 34a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 3899 B11R1.182 [13CH3]OCc1cc(ccc1Br)F 7a_100011217561_200025704644 [1,1,0,0,0,0|2,0,0]=4 3900 B11R1.182 [13CH3]OCc1cc(ccc1Br)I 7a_100012359683_200025704644 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.182 [13CH3]OCc1cc(ccc1Br)N 34a_100012347228_200025704644 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 34a_100011215897_200025704644 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Br 7a_100011215897_200025704644 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 34a_100000698905_200025704644 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.182 [13CH3]OCc1cc(ccc1Cl)Cl 7a_100000698905_200025704644 [1,1,0,0,0,0|2,0,0]=4 3906 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 34a_100011218361_200025704644 [1,1,0,0,0,0|2,0,0]=4 3907 B11R1.182 [13CH3]OCc1cc(ccc1Cl)F 7a_100011218361_200025704644 [1,1,0,0,0,0|2,0,0]=4 3908 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 34a_100010128486_200025704644 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.182 [13CH3]OCc1cc(ccc1Cl)I 7a_100010128486_200025704644 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.182 [13CH3]OCc1cc(ccc1Cl)N 34a_100011273577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3911 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 34a_100000246282_200025704644 [1,1,0,0,0,0|2,0,0]=4 3912 B11R1.182 [13CH3]OCc1cc(ccc1F)Br 7a_100000246282_200025704644 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 34a_100011217248_200025704644 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.182 [13CH3]OCc1cc(ccc1F)Cl 7a_100011217248_200025704644 [1,1,0,0,0,0|2,0,0]=4 3915 B11R1.182 [13CH3]OCc1cc(ccc1F)F 34a_100011217725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.182 [13CH3]OCc1cc(ccc1F)F 7a_100011217725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.182 [13CH3]OCc1cc(ccc1F)I 34a_100000049604_200025704644 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.182 [13CH3]OCc1cc(ccc1F)I 7a_100000049604_200025704644 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.182 [13CH3]OCc1cc(ccc1F)N 34a_100011218011_200025704644 [1,1,0,0,0,0|2,0,0]=4 3920 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 34a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 3921 B11R1.182 [13CH3]OCc1cc(ccc1I)Br 7a_100011356890_200025704644 [1,1,0,0,0,0|2,0,0]=4 3922 B11R1.182 [13CH3]OCc1cc(ccc1I)F 34a_100010255287_200025704644 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.182 [13CH3]OCc1cc(ccc1I)F 7a_100010255287_200025704644 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 34a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.182 [13CH3]OCc1cc(ccc1N)Br 7a_100012353972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3926 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 34a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3927 B11R1.182 [13CH3]OCc1cc(ccc1N)Cl 7a_100011214999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3928 B11R1.182 [13CH3]OCc1cc(ccc1N)F 34a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 3929 B11R1.182 [13CH3]OCc1cc(ccc1N)F 7a_100011296978_200025704644 [1,1,0,0,0,0|2,0,0]=4 3930 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,1,0,0,0,0|1,1,0]=4 3931 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,1,0,0,0,0|1,1,0]=4 3932 B11R1.277 CCc1cc(c(cc1O)F)O 271570a_203496583355_100011156610 [1,1,0,0,0,0|1,0,1]=4 3933 B11R1.277 CNc1cc(c(cc1O)Br)Br 7a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 3934 B11R1.277 CNc1cc(c(cc1O)Br)C 34a_200010107346_200000210301 [1,1,0,0,0,0|1,0,1]=4 3935 B11R1.277 CNc1cc(c(cc1O)Br)F 34a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B11R1.277 CNc1cc(c(cc1O)Br)F 7a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3937 B11R1.277 CNc1cc(c(cc1O)C)Br 34a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 3938 B11R1.277 CNc1cc(c(cc1O)C)Br 7a_200010235796_200000210301 [1,1,0,0,0,0|2,0,0]=4 3939 B11R1.277 CNc1cc(c(cc1O)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 3940 B11R1.277 CNc1cc(c(cc1O)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 3941 B11R1.277 CNc1cc(c(cc1O)C)Cl 34a_100000091707_200000210301 [1,1,0,0,0,0|2,0,0]=4 3942 B11R1.277 CNc1cc(c(cc1O)Cl)Br 34a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B11R1.277 CNc1cc(c(cc1O)Cl)Br 7a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 3944 B11R1.277 CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B11R1.277 CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 3946 B11R1.277 CNc1cc(c(cc1O)F)Br 34a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 3947 B11R1.277 CNc1cc(c(cc1O)F)Br 7a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 3948 B11R1.277 CNc1cc(c(cc1O)F)C 34a_100012022779_200000210301 [1,1,0,0,0,0|1,0,1]=4 3949 B11R1.277 CNc1cc(c(cc1O)F)C 7a_100012022779_200000210301 [1,1,0,0,0,0|1,0,1]=4 3950 B11R1.277 CNc1cc(c(cc1O)F)F 2230a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 3951 B11R1.277 CNc1cc(c(cc1O)F)F 34a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.277 CNc1cc(c(cc1O)F)F 7a_106722365970_200000210301 [1,1,0,0,0,0|2,0,0]=4 3953 B11R1.277 COc1cc(c(cc1Br)Br)O 271570a_203496583355_200014006352 [1,1,0,0,0,0|1,0,1]=4 3954 B11R1.277 COc1cc(c(cc1Br)C)C 34a_100009814663_200000210301 [1,1,0,0,0,0|1,0,1]=4 3955 B11R1.277 COc1cc(c(cc1Br)C)C 7a_100009814663_200000210301 [1,1,0,0,0,0|1,0,1]=4 3956 B11R1.277 COc1cc(c(cc1Br)Cl)C 34a_100022700756_200000210301 [1,1,0,0,0,0|1,0,1]=4 3957 B11R1.277 COc1cc(c(cc1Br)Cl)C 7a_100022700756_200000210301 [1,1,0,0,0,0|1,0,1]=4 3958 B11R1.277 COc1cc(c(cc1Br)F)F 34a_100009813768_200000210301 [1,1,0,0,0,0|2,0,0]=4 3959 B11R1.277 COc1cc(c(cc1Br)F)F 7a_100009813768_200000210301 [1,1,0,0,0,0|2,0,0]=4 3960 B11R1.277 COc1cc(c(cc1Br)N)Br 34a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.277 COc1cc(c(cc1Br)N)Br 7a_100011080774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.277 COc1cc(c(cc1C)Br)C 34a_100000698207_200000210301 [1,1,0,0,0,0|1,0,1]=4 3963 B11R1.277 COc1cc(c(cc1C)Br)C 7a_100000698207_200000210301 [1,1,0,0,0,0|1,0,1]=4 3964 B11R1.277 COc1cc(c(cc1C)C)C 34a_200000047129_200000210301 [1,1,0,0,0,0|1,0,1]=4 3965 B11R1.277 COc1cc(c(cc1C)C)C 7a_200000047129_200000210301 [1,1,0,0,0,0|1,0,1]=4 3966 B11R1.277 COc1cc(c(cc1C)Cl)N 34a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3967 B11R1.277 COc1cc(c(cc1C)Cl)N 7a_100000092876_200000210301 [1,1,0,0,0,0|2,0,0]=4 3968 B11R1.277 COc1cc(c(cc1C)F)Br 34a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 3969 B11R1.277 COc1cc(c(cc1C)F)Br 7a_100014242602_200000210301 [1,1,0,0,0,0|2,0,0]=4 3970 B11R1.277 COc1cc(c(cc1C)F)C 34a_100010674473_200000210301 [1,1,0,0,0,0|1,0,1]=4 3971 B11R1.277 COc1cc(c(cc1C)F)C 7a_100010674473_200000210301 [1,1,0,0,0,0|1,0,1]=4 3972 B11R1.277 COc1cc(c(cc1C)F)F 34a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3973 B11R1.277 COc1cc(c(cc1C)F)F 7a_100000728840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3974 B11R1.277 COc1cc(c(cc1C)F)I 34a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3975 B11R1.277 COc1cc(c(cc1C)F)I 7a_100010080512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3976 B11R1.277 COc1cc(c(cc1C)F)N 34a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 3977 B11R1.277 COc1cc(c(cc1C)F)N 7a_100000117193_200000210301 [1,1,0,0,0,0|2,0,0]=4 3978 B11R1.277 COc1cc(c(cc1C)I)C 34a_200011215153_200000210301 [1,1,0,0,0,0|1,0,1]=4 3979 B11R1.277 COc1cc(c(cc1C)I)C 7a_200011215153_200000210301 [1,1,0,0,0,0|1,0,1]=4 3980 B11R1.277 COc1cc(c(cc1C)N)C 34a_100000720036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3981 B11R1.277 COc1cc(c(cc1C)N)C 7a_100000720036_200000210301 [1,1,0,0,0,0|1,0,1]=4 3982 B11R1.277 COc1cc(c(cc1C)N)O 271570a_203496583355_200010584344 [1,1,0,0,0,0|1,0,1]=4 3983 B11R1.277 COc1cc(c(cc1C)O)C 271570a_203496583355_100000698960 [1,1,0,0,0,0|1,0,1]=4 3984 B11R1.277 COc1cc(c(cc1C)O)N 271570a_203496583355_100010244135 [1,1,0,0,0,0|2,0,0]=4 3985 B11R1.277 COc1cc(c(cc1Cl)Br)C 34a_200012350488_200000210301 [1,1,0,0,0,0|1,0,1]=4 3986 B11R1.277 COc1cc(c(cc1Cl)Br)C 7a_200012350488_200000210301 [1,1,0,0,0,0|1,0,1]=4 3987 B11R1.277 COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3988 B11R1.277 COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3989 B11R1.277 COc1cc(c(cc1Cl)Br)F 34a_100000726166_200000210301 [1,1,0,0,0,0|2,0,0]=4 3990 B11R1.277 COc1cc(c(cc1Cl)Br)F 7a_100000726166_200000210301 [1,1,0,0,0,0|2,0,0]=4 3991 B11R1.277 COc1cc(c(cc1Cl)Br)I 34a_100021297947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3992 B11R1.277 COc1cc(c(cc1Cl)Br)I 7a_100021297947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3993 B11R1.277 COc1cc(c(cc1Cl)C)C 34a_100000031796_200000210301 [1,1,0,0,0,0|1,0,1]=4 3994 B11R1.277 COc1cc(c(cc1Cl)C)C 7a_100000031796_200000210301 [1,1,0,0,0,0|1,0,1]=4 3995 B11R1.277 COc1cc(c(cc1Cl)C)N 34a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3996 B11R1.277 COc1cc(c(cc1Cl)C)N 7a_100009961766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3997 B11R1.277 COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200000210301 [1,1,0,0,0,0|2,0,0]=4 3998 B11R1.277 COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200000210301 [1,1,0,0,0,0|2,0,0]=4 3999 B11R1.277 COc1cc(c(cc1Cl)Cl)C 34a_100012002691_200000210301 [1,1,0,0,0,0|1,0,1]=4 4000 B11R1.277 COc1cc(c(cc1Cl)Cl)C 7a_100012002691_200000210301 [1,1,0,0,0,0|1,0,1]=4 4001 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200000210301 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.277 COc1cc(c(cc1Cl)Cl)N 34a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4004 B11R1.277 COc1cc(c(cc1Cl)Cl)N 7a_100000037174_200000210301 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.277 COc1cc(c(cc1Cl)F)Br 34a_100010189047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4006 B11R1.277 COc1cc(c(cc1Cl)F)Br 7a_100010189047_200000210301 [1,1,0,0,0,0|2,0,0]=4 4007 B11R1.277 COc1cc(c(cc1Cl)F)F 34a_100009848785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4008 B11R1.277 COc1cc(c(cc1Cl)F)F 7a_100009848785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.277 COc1cc(c(cc1Cl)F)I 34a_100010735246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.277 COc1cc(c(cc1Cl)F)I 7a_100010735246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.277 COc1cc(c(cc1Cl)F)N 34a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.277 COc1cc(c(cc1Cl)F)N 7a_100000042052_200000210301 [1,1,0,0,0,0|2,0,0]=4 4013 B11R1.277 COc1cc(c(cc1Cl)F)O 271570a_203496583355_100010739614 [1,1,0,0,0,0|1,0,1]=4 4014 B11R1.277 COc1cc(c(cc1Cl)N)Cl 34a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B11R1.277 COc1cc(c(cc1Cl)N)Cl 7a_100012000071_200000210301 [1,1,0,0,0,0|2,0,0]=4 4016 B11R1.277 COc1cc(c(cc1F)Br)C 34a_100012355673_200000210301 [1,1,0,0,0,0|1,0,1]=4 4017 B11R1.277 COc1cc(c(cc1F)Br)C 7a_100012355673_200000210301 [1,1,0,0,0,0|1,0,1]=4 4018 B11R1.277 COc1cc(c(cc1F)Br)F 34a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4019 B11R1.277 COc1cc(c(cc1F)Br)F 7a_100011830439_200000210301 [1,1,0,0,0,0|2,0,0]=4 4020 B11R1.277 COc1cc(c(cc1F)C)Br 34a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4021 B11R1.277 COc1cc(c(cc1F)C)Br 7a_100010068922_200000210301 [1,1,0,0,0,0|2,0,0]=4 4022 B11R1.277 COc1cc(c(cc1F)C)O 271570a_203496583355_100011009880 [1,1,0,0,0,0|1,0,1]=4 4023 B11R1.277 COc1cc(c(cc1F)F)Br 34a_100012457948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.277 COc1cc(c(cc1F)F)Br 7a_100012457948_200000210301 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.277 COc1cc(c(cc1F)F)F 34a_100000237555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.277 COc1cc(c(cc1F)F)F 7a_100000237555_200000210301 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.277 COc1cc(c(cc1F)F)I 34a_100015789030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.277 COc1cc(c(cc1F)F)I 7a_100015789030_200000210301 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.277 COc1cc(c(cc1F)F)N 34a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.277 COc1cc(c(cc1F)F)N 7a_100011219470_200000210301 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.277 COc1cc(c(cc1F)F)O 271570a_203496583355_200015541288 [1,1,0,0,0,0|1,0,1]=4 4032 B11R1.277 COc1cc(c(cc1F)N)Cl 34a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.277 COc1cc(c(cc1F)N)Cl 7a_100009886023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B11R1.277 COc1cc(c(cc1F)N)F 34a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4035 B11R1.277 COc1cc(c(cc1F)N)F 7a_100020635945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4036 B11R1.277 COc1cc(c(cc1F)N)O 271570a_203496583355_100010365326 [1,1,0,0,0,0|1,0,1]=4 4037 B11R1.277 COc1cc(c(cc1F)O)C 271570a_203496583355_100010074640 [1,1,0,0,0,0|1,0,1]=4 4038 B11R1.277 COc1cc(c(cc1F)O)F 271570a_203496583355_100009813720 [1,1,0,0,0,0|2,0,0]=4 4039 B11R1.277 COc1cc(c(cc1F)O)N 271570a_203496583355_100010208193 [1,1,0,0,0,0|2,0,0]=4 4040 B11R1.277 COc1cc(c(cc1I)F)F 34a_100010749349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4041 B11R1.277 COc1cc(c(cc1I)F)F 7a_100010749349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4042 B11R1.277 COc1cc(c(cc1N)Br)Br 34a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4043 B11R1.277 COc1cc(c(cc1N)Br)Br 7a_200010781931_200000210301 [1,1,0,0,0,0|2,0,0]=4 4044 B11R1.277 COc1cc(c(cc1N)Br)C 34a_200010235796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4045 B11R1.277 COc1cc(c(cc1N)Br)C 7a_200010235796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4046 B11R1.277 COc1cc(c(cc1N)Br)Cl 34a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4047 B11R1.277 COc1cc(c(cc1N)Br)Cl 7a_100013488937_200000210301 [1,1,0,0,0,0|2,0,0]=4 4048 B11R1.277 COc1cc(c(cc1N)Br)F 34a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4049 B11R1.277 COc1cc(c(cc1N)Br)F 7a_100012359894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4050 B11R1.277 COc1cc(c(cc1N)C)Br 34a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4051 B11R1.277 COc1cc(c(cc1N)C)Br 7a_200010107346_200000210301 [1,1,0,0,0,0|2,0,0]=4 4052 B11R1.277 COc1cc(c(cc1N)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4053 B11R1.277 COc1cc(c(cc1N)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4054 B11R1.277 COc1cc(c(cc1N)C)F 34a_100012022779_200000210301 [1,1,0,0,0,0|2,0,0]=4 4055 B11R1.277 COc1cc(c(cc1N)C)F 7a_100012022779_200000210301 [1,1,0,0,0,0|2,0,0]=4 4056 B11R1.277 COc1cc(c(cc1N)C)O 271570a_203496583355_100010141321 [1,1,0,0,0,0|1,0,1]=4 4057 B11R1.277 COc1cc(c(cc1N)Cl)C 34a_100000091707_200000210301 [1,1,0,0,0,0|1,0,1]=4 4058 B11R1.277 COc1cc(c(cc1N)Cl)C 7a_100000091707_200000210301 [1,1,0,0,0,0|1,0,1]=4 4059 B11R1.277 COc1cc(c(cc1N)Cl)Cl 34a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4060 B11R1.277 COc1cc(c(cc1N)Cl)Cl 7a_100000696747_200000210301 [1,1,0,0,0,0|2,0,0]=4 4061 B11R1.277 COc1cc(c(cc1N)F)Br 34a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4062 B11R1.277 COc1cc(c(cc1N)F)Br 7a_100013038943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4063 B11R1.277 COc1cc(c(cc1N)F)F 34a_100011217416_200000210301 [1,1,0,0,0,0|2,0,0]=4 4064 B11R1.277 COc1cc(c(cc1N)F)F 7a_100011217416_200000210301 [1,1,0,0,0,0|2,0,0]=4 4065 B11R1.277 COc1cc(c(cc1N)F)O 271570a_203496583355_100012766639 [1,1,0,0,0,0|1,0,1]=4 4066 B11R1.277 COc1cc(c(cc1N)I)Cl 34a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.277 COc1cc(c(cc1N)I)Cl 7a_100011011175_200000210301 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.277 COc1cc(c(cc1N)O)Cl 271570a_203496583355_100011011177 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.277 COc1cc(c(cc1N)O)F 271570a_203496583355_100012361397 [1,1,0,0,0,0|2,0,0]=4 4070 B11R1.277 COc1cc(c(cc1O)C)F 271570a_203496583355_100010201977 [1,1,0,0,0,0|1,0,0]=3 4071 B11R1.277 COc1cc(c(cc1O)C)N 271570a_203496583355_100010232211 [1,1,0,0,0,0|1,0,0]=3 4072 B11R1.277 COc1cc(c(cc1O)F)F 271570a_203496583355_100009813744 [1,1,0,0,0,0|1,0,0]=3 4073 B11R1.277 COc1cc(c(cc1O)F)O 271570a_203496583355_100010189133 [1,1,0,0,0,0|0,0,1]=3 4074 B11R1.277 COc1cc(c(cc1O)N)C 271570a_203496583355_106657271712 [1,1,0,0,0,0|0,0,1]=3 4075 B11R1.277 COc1cc(c(cc1O)N)N 271570a_203496583355_100012769537 [1,1,0,0,0,0|1,0,0]=3 4076 B11R1.277 CSc1cc(c(cc1O)C)C 62a_100009814663_200000210301 [1,1,0,0,0,0|0,1,1]=4 4077 B11R1.277 CSc1cc(c(cc1O)C)C 62a_200000210301_100009814663 [1,1,0,0,0,0|0,1,1]=4 4078 B11R1.277 CSc1cc(c(cc1O)F)F 62a_100009813768_200000210301 [1,1,0,0,0,0|1,1,0]=4 4079 B11R1.277 CSc1cc(c(cc1O)F)F 62a_200000210301_100009813768 [1,1,0,0,0,0|1,1,0]=4 4080 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 34a_100000698207_200025704644 [1,1,0,0,0,0|1,0,1]=4 4081 B11R1.277 Cc1cc(c(cc1Br)C)O[13CH3] 7a_100000698207_200025704644 [1,1,0,0,0,0|1,0,1]=4 4082 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 34a_200012350488_200025704644 [1,1,0,0,0,0|1,0,1]=4 4083 B11R1.277 Cc1cc(c(cc1Br)Cl)O[13CH3] 7a_200012350488_200025704644 [1,1,0,0,0,0|1,0,1]=4 4084 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 34a_100012355673_200025704644 [1,1,0,0,0,0|1,0,1]=4 4085 B11R1.277 Cc1cc(c(cc1Br)F)O[13CH3] 7a_100012355673_200025704644 [1,1,0,0,0,0|1,0,1]=4 4086 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 34a_200010235796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4087 B11R1.277 Cc1cc(c(cc1Br)N)O[13CH3] 7a_200010235796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4088 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 34a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 4089 B11R1.277 Cc1cc(c(cc1Br)N[13CH3])O 7a_200010235796_200025704644 [1,1,0,0,0,0|2,0,0]=4 4090 B11R1.277 Cc1cc(c(cc1Br)O)N[13CH3] 34a_200010107346_200025704644 [1,1,0,0,0,0|1,0,1]=4 4091 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])F 34a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4092 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])F 7a_100010068922_200025704644 [1,1,0,0,0,0|2,0,0]=4 4093 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])N 34a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4094 B11R1.277 Cc1cc(c(cc1Br)O[13CH3])N 7a_200010107346_200025704644 [1,1,0,0,0,0|2,0,0]=4 4095 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4096 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4097 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 34a_100009814663_200025704644 [1,1,0,0,0,0|1,0,1]=4 4098 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Br 7a_100009814663_200025704644 [1,1,0,0,0,0|1,0,1]=4 4099 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 34a_200000047129_200025704644 [1,1,0,0,0,0|1,0,1]=4 4100 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 7a_200000047129_200025704644 [1,1,0,0,0,0|1,0,1]=4 4101 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 34a_100000031796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4102 B11R1.277 Cc1cc(c(cc1C)O[13CH3])Cl 7a_100000031796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4103 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4104 B11R1.277 Cc1cc(c(cc1C)O[13CH3])N 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4105 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_100009814663_200025704644 [1,1,0,0,0,0|0,1,1]=4 4106 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_200025704644_100009814663 [1,1,0,0,0,0|0,1,1]=4 4107 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 34a_100022700756_200025704644 [1,1,0,0,0,0|1,0,1]=4 4108 B11R1.277 Cc1cc(c(cc1Cl)Br)O[13CH3] 7a_100022700756_200025704644 [1,1,0,0,0,0|1,0,1]=4 4109 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 34a_100012002691_200025704644 [1,1,0,0,0,0|1,0,1]=4 4110 B11R1.277 Cc1cc(c(cc1Cl)Cl)O[13CH3] 7a_100012002691_200025704644 [1,1,0,0,0,0|1,0,1]=4 4111 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 34a_100000091707_200025704644 [1,1,0,0,0,0|1,0,1]=4 4112 B11R1.277 Cc1cc(c(cc1Cl)N)O[13CH3] 7a_100000091707_200025704644 [1,1,0,0,0,0|1,0,1]=4 4113 B11R1.277 Cc1cc(c(cc1Cl)N[13CH3])O 34a_100000091707_200025704644 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 34a_100010674473_200025704644 [1,1,0,0,0,0|1,0,1]=4 4115 B11R1.277 Cc1cc(c(cc1F)C)O[13CH3] 7a_100010674473_200025704644 [1,1,0,0,0,0|1,0,1]=4 4116 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 34a_100012022779_200025704644 [1,1,0,0,0,0|1,0,1]=4 4117 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 7a_100012022779_200025704644 [1,1,0,0,0,0|1,0,1]=4 4118 B11R1.277 Cc1cc(c(cc1F)O[13CH3])N 34a_100012022779_200025704644 [1,1,0,0,0,0|2,0,0]=4 4119 B11R1.277 Cc1cc(c(cc1F)O[13CH3])N 7a_100012022779_200025704644 [1,1,0,0,0,0|2,0,0]=4 4120 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 34a_200011215153_200025704644 [1,1,0,0,0,0|1,0,1]=4 4121 B11R1.277 Cc1cc(c(cc1I)C)O[13CH3] 7a_200011215153_200025704644 [1,1,0,0,0,0|1,0,1]=4 4122 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 34a_100000720036_200025704644 [1,1,0,0,0,0|1,0,1]=4 4123 B11R1.277 Cc1cc(c(cc1N)C)O[13CH3] 7a_100000720036_200025704644 [1,1,0,0,0,0|1,0,1]=4 4124 B11R1.277 Cc1cc(c(cc1N)O[13CH3])Cl 34a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4125 B11R1.277 Cc1cc(c(cc1N)O[13CH3])Cl 7a_100009961766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4126 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 34a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4127 B11R1.277 Cc1cc(c(cc1O[13CH3])Br)F 7a_100014242602_200025704644 [1,1,0,0,0,0|2,0,0]=4 4128 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 34a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.277 Cc1cc(c(cc1O[13CH3])F)F 7a_100000728840_200025704644 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 34a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.277 Cc1cc(c(cc1O[13CH3])I)F 7a_100010080512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4132 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 34a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4133 B11R1.277 Cc1cc(c(cc1O[13CH3])N)Cl 7a_100000092876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4134 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 34a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4135 B11R1.277 Cc1cc(c(cc1O[13CH3])N)F 7a_100000117193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4136 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)Br 7a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4137 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)F 34a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4138 B11R1.277 [13CH3]Nc1cc(c(cc1O)Br)F 7a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4139 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Br 34a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4140 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Br 7a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4141 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Cl 34a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4142 B11R1.277 [13CH3]Nc1cc(c(cc1O)Cl)Cl 7a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4143 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)Br 34a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4144 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)Br 7a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4145 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 2230a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4146 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 34a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4147 B11R1.277 [13CH3]Nc1cc(c(cc1O)F)F 7a_106722365970_200025704644 [1,1,0,0,0,0|2,0,0]=4 4148 B11R1.277 [13CH3]Oc1cc(c(cc1Br)F)F 34a_100009813768_200025704644 [1,1,0,0,0,0|2,0,0]=4 4149 B11R1.277 [13CH3]Oc1cc(c(cc1Br)F)F 7a_100009813768_200025704644 [1,1,0,0,0,0|2,0,0]=4 4150 B11R1.277 [13CH3]Oc1cc(c(cc1Br)N)Br 34a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4151 B11R1.277 [13CH3]Oc1cc(c(cc1Br)N)Br 7a_100011080774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4152 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)Cl 34a_100000719705_200025704644 [1,1,0,0,0,0|2,0,0]=4 4153 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)Cl 7a_100000719705_200025704644 [1,1,0,0,0,0|2,0,0]=4 4154 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)F 34a_100000726166_200025704644 [1,1,0,0,0,0|2,0,0]=4 4155 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)F 7a_100000726166_200025704644 [1,1,0,0,0,0|2,0,0]=4 4156 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)I 34a_100021297947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4157 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Br)I 7a_100021297947_200025704644 [1,1,0,0,0,0|2,0,0]=4 4158 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Br 34a_100010203734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4159 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Br 7a_100010203734_200025704644 [1,1,0,0,0,0|2,0,0]=4 4160 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4161 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_200025704644 [1,1,0,0,0,0|2,0,0]=4 4162 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)N 34a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4163 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)Cl)N 7a_100000037174_200025704644 [1,1,0,0,0,0|2,0,0]=4 4164 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)Br 34a_100010189047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4165 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)Br 7a_100010189047_200025704644 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)F 34a_100009848785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)F 7a_100009848785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4168 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)I 34a_100010735246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4169 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)I 7a_100010735246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4170 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)N 34a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4171 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)F)N 7a_100000042052_200025704644 [1,1,0,0,0,0|2,0,0]=4 4172 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)N)Cl 34a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4173 B11R1.277 [13CH3]Oc1cc(c(cc1Cl)N)Cl 7a_100012000071_200025704644 [1,1,0,0,0,0|2,0,0]=4 4174 B11R1.277 [13CH3]Oc1cc(c(cc1F)Br)F 34a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4175 B11R1.277 [13CH3]Oc1cc(c(cc1F)Br)F 7a_100011830439_200025704644 [1,1,0,0,0,0|2,0,0]=4 4176 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)Br 34a_100012457948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4177 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)Br 7a_100012457948_200025704644 [1,1,0,0,0,0|2,0,0]=4 4178 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)F 34a_100000237555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4179 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)F 7a_100000237555_200025704644 [1,1,0,0,0,0|2,0,0]=4 4180 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)I 34a_100015789030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4181 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)I 7a_100015789030_200025704644 [1,1,0,0,0,0|2,0,0]=4 4182 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)N 34a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4183 B11R1.277 [13CH3]Oc1cc(c(cc1F)F)N 7a_100011219470_200025704644 [1,1,0,0,0,0|2,0,0]=4 4184 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)Cl 34a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4185 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)Cl 7a_100009886023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4186 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)F 34a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4187 B11R1.277 [13CH3]Oc1cc(c(cc1F)N)F 7a_100020635945_200025704644 [1,1,0,0,0,0|2,0,0]=4 4188 B11R1.277 [13CH3]Oc1cc(c(cc1I)F)F 34a_100010749349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4189 B11R1.277 [13CH3]Oc1cc(c(cc1I)F)F 7a_100010749349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4190 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Br 34a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4191 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Br 7a_200010781931_200025704644 [1,1,0,0,0,0|2,0,0]=4 4192 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Cl 34a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4193 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)Cl 7a_100013488937_200025704644 [1,1,0,0,0,0|2,0,0]=4 4194 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)F 34a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4195 B11R1.277 [13CH3]Oc1cc(c(cc1N)Br)F 7a_100012359894_200025704644 [1,1,0,0,0,0|2,0,0]=4 4196 B11R1.277 [13CH3]Oc1cc(c(cc1N)Cl)Cl 34a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4197 B11R1.277 [13CH3]Oc1cc(c(cc1N)Cl)Cl 7a_100000696747_200025704644 [1,1,0,0,0,0|2,0,0]=4 4198 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)Br 34a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4199 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)Br 7a_100013038943_200025704644 [1,1,0,0,0,0|2,0,0]=4 4200 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)F 34a_100011217416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4201 B11R1.277 [13CH3]Oc1cc(c(cc1N)F)F 7a_100011217416_200025704644 [1,1,0,0,0,0|2,0,0]=4 4202 B11R1.277 [13CH3]Oc1cc(c(cc1N)I)Cl 34a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4203 B11R1.277 [13CH3]Oc1cc(c(cc1N)I)Cl 7a_100011011175_200025704644 [1,1,0,0,0,0|2,0,0]=4 4204 B11R1.277 [13CH3]Sc1cc(c(cc1O)F)F 62a_100009813768_200025704644 [1,1,0,0,0,0|1,1,0]=4 4205 B11R1.277 [13CH3]Sc1cc(c(cc1O)F)F 62a_200025704644_100009813768 [1,1,0,0,0,0|1,1,0]=4 4206 B11R1.9 C=Cc1cc(cc(c1)C=O)Br 271570a_100011290941_100010185649 [1,1,0,0,0,0|1,0,1]=4 4207 B11R1.9 C=Cc1cc(cc(c1)C=O)C 271570a_100011290941_100000686105 [1,1,0,0,0,0|1,0,1]=4 4208 B11R1.9 C=Cc1cc(cc(c1)C=O)F 271570a_100011290941_100011794424 [1,1,0,0,0,0|1,0,1]=4 4209 B11R1.9 C=Cc1cc(cc(c1)C=O)O 271570a_100011290941_100010176088 [1,1,0,0,0,0|1,0,1]=4 4210 B11R1.9 C=Cc1cc(cc(c1)CC)N 271570a_100011290941_100010074814 [1,1,0,0,0,0|2,0,0]=4 4211 B11R1.9 C=Cc1cc(cc(c1)NC)F 271570a_100011290941_106741647397 [1,1,0,0,0,0|2,0,0]=4 4212 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [1,1,0,0,0,0|1,0,0]=3 4213 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [1,1,0,0,0,0|1,0,0]=3 4214 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [1,1,0,0,0,0|1,0,0]=3 4215 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [1,1,0,0,0,0|1,0,0]=3 4216 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [1,1,0,0,0,0|1,0,0]=3 4217 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [1,1,0,0,0,0|1,0,0]=3 4218 B11R1.9 C=Cc1cc(cc(c1)SC)C 271570a_100011290941_200010709730 [1,1,0,0,0,0|1,1,0]=4 4219 B11R1.9 C=Cc1cc(cc(c1)SC)F 271570a_100011290941_200010245467 [1,1,0,0,0,0|1,1,0]=4 4220 B11R1.9 C=Cc1cc(cc(n1)C)OC 271570a_100011290941_200009849800 [1,1,0,0,0,0|2,0,0]=4 4221 B11R1.9 C=Cc1cc(cc(n1)N)OC 271570a_100011290941_100010257270 [1,1,0,0,0,0|2,0,0]=4 4222 B11R1.9 C=Cc1cc(cc(n1)OC)C 271570a_100011290941_100009856763 [1,1,0,0,0,0|2,0,0]=4 4223 B11R1.9 C=Cc1cc(cc(n1)OC)N 271570a_100011290941_100012187057 [1,1,0,0,0,0|2,0,0]=4 4224 B11R1.9 C=Cc1cc(nc(c1)OC)C 271570a_100011290941_100010067692 [1,1,0,0,0,0|2,0,0]=4 4225 B11R1.9 C=Cc1cc(nc(c1)OC)N 271570a_100011290941_100010136845 [1,1,0,0,0,0|2,0,0]=4 4226 B11R1.9 CNc1cc(cc(c1)OC)Br 34a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 4227 B11R1.9 CNc1cc(cc(c1)OC)Br 7a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 4228 B11R1.9 CNc1cc(cc(c1)OC)C 2230a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4229 B11R1.9 CNc1cc(cc(c1)OC)C 34a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4230 B11R1.9 CNc1cc(cc(c1)OC)C 7a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 4231 B11R1.9 CNc1cc(cc(c1)OC)Cl 2230a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 4232 B11R1.9 CNc1cc(cc(c1)OC)Cl 34a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 4233 B11R1.9 CNc1cc(cc(c1)OC)Cl 7a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 4234 B11R1.9 CNc1cc(cc(c1)OC)F 2230a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4235 B11R1.9 CNc1cc(cc(c1)OC)F 34a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4236 B11R1.9 CNc1cc(cc(c1)OC)F 7a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 4237 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4238 B11R1.9 COc1cc(cc(c1)C#N)Br 34a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 4239 B11R1.9 COc1cc(cc(c1)C#N)Br 7a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 4240 B11R1.9 COc1cc(cc(c1)C#N)C 34a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 4241 B11R1.9 COc1cc(cc(c1)C#N)C 7a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 4242 B11R1.9 COc1cc(cc(c1)C#N)Cl 34a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 4243 B11R1.9 COc1cc(cc(c1)C#N)Cl 7a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 4244 B11R1.9 COc1cc(cc(c1)C#N)F 34a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4245 B11R1.9 COc1cc(cc(c1)C#N)F 7a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 4246 B11R1.9 COc1cc(cc(c1)C#N)O 271570a_203496583355_100011934654 [1,1,0,0,0,0|1,0,1]=4 4247 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [1,1,0,0,0,0|0,0,0]=2 4248 B11R1.9 COc1cc(cc(c1)CN)Cl 34a_107254831445_200000210301 [1,1,0,0,0,0|1,0,1]=4 4249 B11R1.9 COc1cc(cc(c1)CN)F 34a_100160469513_200000210301 [1,1,0,0,0,0|1,0,1]=4 4250 B11R1.9 COc1cc(cc(c1)CO)N 34a_200000124675_200000210301 [1,1,0,0,0,0|0,0,2]=4 4251 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [1,1,0,0,0,0|0,0,2]=4 4252 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 34a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 4253 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 7a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 4254 B11R1.9 COc1cc(cc(c1)N[13CH3])C 2230a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4255 B11R1.9 COc1cc(cc(c1)N[13CH3])C 34a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4256 B11R1.9 COc1cc(cc(c1)N[13CH3])C 7a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 4257 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 2230a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 4258 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 34a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 4259 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 7a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 4260 B11R1.9 COc1cc(cc(c1)N[13CH3])F 2230a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4261 B11R1.9 COc1cc(cc(c1)N[13CH3])F 34a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4262 B11R1.9 COc1cc(cc(c1)N[13CH3])F 7a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 4263 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4264 B11R1.9 COc1cc(cc(c1)OC)Br 34a_100010068927_200000210301 [1,1,0,0,0,0|2,0,0]=4 4265 B11R1.9 COc1cc(cc(c1)OC)Br 7a_100010068927_200000210301 [1,1,0,0,0,0|2,0,0]=4 4266 B11R1.9 COc1cc(cc(c1)OC)C 34a_100011216608_200000210301 [1,1,0,0,0,0|2,0,0]=4 4267 B11R1.9 COc1cc(cc(c1)OC)C 7a_100011216608_200000210301 [1,1,0,0,0,0|2,0,0]=4 4268 B11R1.9 COc1cc(cc(c1)OC)Cl 34a_100000051430_200000210301 [1,1,0,0,0,0|2,0,0]=4 4269 B11R1.9 COc1cc(cc(c1)OC)Cl 7a_100000051430_200000210301 [1,1,0,0,0,0|2,0,0]=4 4270 B11R1.9 COc1cc(cc(c1)OC)F 34a_100011369910_200000210301 [1,1,0,0,0,0|2,0,0]=4 4271 B11R1.9 COc1cc(cc(c1)OC)F 7a_100011369910_200000210301 [1,1,0,0,0,0|2,0,0]=4 4272 B11R1.9 COc1cc(cc(c1)OC)N 34a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4273 B11R1.9 COc1cc(cc(c1)OC)N 7a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 4274 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [1,1,0,0,0,0|2,0,0]=4 4275 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 34a_100010068927_200025704644 [1,1,0,0,0,0|2,0,0]=4 4276 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 7a_100010068927_200025704644 [1,1,0,0,0,0|2,0,0]=4 4277 B11R1.9 COc1cc(cc(c1)O[13CH3])C 34a_100011216608_200025704644 [1,1,0,0,0,0|2,0,0]=4 4278 B11R1.9 COc1cc(cc(c1)O[13CH3])C 7a_100011216608_200025704644 [1,1,0,0,0,0|2,0,0]=4 4279 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 34a_100000051430_200025704644 [1,1,0,0,0,0|2,0,0]=4 4280 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 7a_100000051430_200025704644 [1,1,0,0,0,0|2,0,0]=4 4281 B11R1.9 COc1cc(cc(c1)O[13CH3])F 34a_100011369910_200025704644 [1,1,0,0,0,0|2,0,0]=4 4282 B11R1.9 COc1cc(cc(c1)O[13CH3])F 7a_100011369910_200025704644 [1,1,0,0,0,0|2,0,0]=4 4283 B11R1.9 COc1cc(cc(c1)O[13CH3])N 34a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4284 B11R1.9 COc1cc(cc(c1)O[13CH3])N 7a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 4285 B11R1.9 COc1cc(cc(c1)SC)Br 62a_100010141301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4286 B11R1.9 COc1cc(cc(c1)SC)Br 62a_200000210301_100010141301 [1,1,0,0,0,0|2,0,0]=4 4287 B11R1.9 COc1cc(cc(c1)SC)C 62a_200000210301_100010187550 [1,1,0,0,0,0|2,0,0]=4 4288 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_100010147680_200000210301 [1,1,0,0,0,0|2,0,0]=4 4289 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_200000210301_100010147680 [1,1,0,0,0,0|2,0,0]=4 4290 B11R1.9 COc1cc(cc(c1)SC)F 62a_100011934182_200000210301 [1,1,0,0,0,0|2,0,0]=4 4291 B11R1.9 COc1cc(cc(c1)SC)F 62a_200000210301_100011934182 [1,1,0,0,0,0|2,0,0]=4 4292 B11R1.9 COc1cc(cc(c1)SC)N 62a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 4293 B11R1.9 COc1cc(cc(c1)SC)N 62a_200000210301_100000750983 [1,1,0,0,0,0|2,0,0]=4 4294 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [1,1,0,0,0,0|2,0,0]=4 4295 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [1,1,0,0,0,0|2,0,0]=4 4296 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_100010141301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4297 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010141301 [1,1,0,0,0,0|2,0,0]=4 4298 B11R1.9 COc1cc(cc(c1)S[13CH3])C 62a_200025704644_100010187550 [1,1,0,0,0,0|2,0,0]=4 4299 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_100010147680_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010147680 [1,1,0,0,0,0|2,0,0]=4 4301 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_100011934182_200025704644 [1,1,0,0,0,0|2,0,0]=4 4302 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011934182 [1,1,0,0,0,0|2,0,0]=4 4303 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 4304 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000750983 [1,1,0,0,0,0|2,0,0]=4 4305 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [1,1,0,0,0,0|2,0,0]=4 4306 B11R1.9 COc1cc(nc(c1)C=O)O 271570a_203496583355_200009844316 [1,1,0,0,0,0|1,0,0]=3 4307 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_100010185649_200000210301 [1,1,0,0,0,0|0,1,0]=3 4308 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_200000210301_100010185649 [1,1,0,0,0,0|0,1,0]=3 4309 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_100000686105_200000210301 [1,1,0,0,0,0|0,1,0]=3 4310 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_200000210301_100000686105 [1,1,0,0,0,0|0,1,0]=3 4311 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_100011794424_200000210301 [1,1,0,0,0,0|0,1,0]=3 4312 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_200000210301_100011794424 [1,1,0,0,0,0|0,1,0]=3 4313 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_100010176088_200000210301 [1,1,0,0,0,0|0,1,0]=3 4314 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_200000210301_100010176088 [1,1,0,0,0,0|0,1,0]=3 4315 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_100009814795_200000210301 [1,1,0,0,0,0|1,1,0]=4 4316 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_200000210301_100009814795 [1,1,0,0,0,0|1,1,0]=4 4317 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 34a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 4318 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 7a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 4319 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_100000686105_200025704644 [1,1,0,0,0,0|0,1,0]=3 4320 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100000686105 [1,1,0,0,0,0|0,1,0]=3 4321 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_100009814795_200025704644 [1,1,0,0,0,0|1,1,0]=4 4322 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_200025704644_100009814795 [1,1,0,0,0,0|1,1,0]=4 4323 B11R1.9 N#Cc1cc(cc(c1)C=O)O 271570a_203496583355_100009814813 [1,1,0,0,0,0|2,0,0]=4 4324 B11R1.9 O=Cc1cc(cc(c1)C=O)O 271570a_203496583355_100010197295 [1,1,0,0,0,0|2,0,0]=4 4325 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 34a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 4326 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 7a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 4327 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 34a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 4328 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 7a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 4329 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 34a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 4330 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 7a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 4331 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)Cl 34a_107254831445_200025704644 [1,1,0,0,0,0|1,0,1]=4 4332 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)F 34a_100160469513_200025704644 [1,1,0,0,0,0|1,0,1]=4 4333 B11R1.9 [13CH3]Oc1cc(cc(c1)CO)N 34a_200000124675_200025704644 [1,1,0,0,0,0|0,0,2]=4 4334 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_100010185649_200025704644 [1,1,0,0,0,0|0,1,0]=3 4335 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_200025704644_100010185649 [1,1,0,0,0,0|0,1,0]=3 4336 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_100011794424_200025704644 [1,1,0,0,0,0|0,1,0]=3 4337 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_200025704644_100011794424 [1,1,0,0,0,0|0,1,0]=3 4338 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_100010176088_200025704644 [1,1,0,0,0,0|0,1,0]=3 4339 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_200025704644_100010176088 [1,1,0,0,0,0|0,1,0]=3 4340 B11R1.189 C#Cc1cccc(c1)COC 34a_100010272118_200000210301 [1,1,0,0,0,0|1,0,1]=4 4341 B11R1.189 C#Cc1cccc(c1)COC 7a_100010272118_200000210301 [1,1,0,0,0,0|1,0,1]=4 4342 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 34a_100010272118_200025704644 [1,1,0,0,0,0|1,0,1]=4 4343 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 7a_100010272118_200025704644 [1,1,0,0,0,0|1,0,1]=4 4344 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [1,1,0,0,0,0|1,0,1]=4 4345 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [1,1,0,0,0,0|1,0,1]=4 4346 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [1,1,0,0,0,0|1,0,1]=4 4347 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [1,1,0,0,0,0|1,0,1]=4 4348 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [1,1,0,0,0,0|2,0,0]=4 4349 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [1,1,0,0,0,0|1,0,1]=4 4350 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,1,0,0,0,0|2,0,0]=4 4351 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,1,0,0,0,0|2,0,0]=4 4352 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,1,0,0,0,0|1,0,0]=3 4353 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,1,0,0,0,0|1,1,0]=4 4354 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [1,1,0,0,0,0|2,0,0]=4 4355 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [1,1,0,0,0,0|2,0,0]=4 4356 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [1,1,0,0,0,0|2,0,0]=4 4357 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,1,0,0,0,0|1,1,0]=4 4358 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,1,0,0,0,0|1,1,0]=4 4359 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,1,0,0,0,0|1,1,0]=4 4360 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,1,0,0,0,0|1,1,0]=4 4361 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [1,1,0,0,0,0|2,0,0]=4 4362 B11R1.189 C=Cc1cccc(c1)C#CC 271570a_100011290941_200009843338 [1,1,0,0,0,0|2,0,0]=4 4363 B11R1.189 C=Cc1cccc(c1)CC=O 271570a_100011290941_200000698211 [1,1,0,0,0,0|1,0,1]=4 4364 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [1,1,0,0,0,0|2,0,0]=4 4365 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [1,1,0,0,0,0|2,0,0]=4 4366 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,1,0,0,0,0|2,0,0]=4 4367 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [1,1,0,0,0,0|2,0,0]=4 4368 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [1,1,0,0,0,0|2,0,0]=4 4369 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [1,1,0,0,0,0|2,0,0]=4 4370 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [1,1,0,0,0,0|1,0,0]=3 4371 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [1,1,0,0,0,0|2,0,0]=4 4372 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [1,1,0,0,0,0|2,0,0]=4 4373 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [1,1,0,0,0,0|2,0,0]=4 4374 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,1,0,0,0,0|1,0,0]=3 4375 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,1,0,0,0,0|1,0,0]=3 4376 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,1,0,0,0,0|1,0,0]=3 4377 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,1,0,0,0,0|1,0,0]=3 4378 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,1,0,0,0,0|1,0,0]=3 4379 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [1,1,0,0,0,0|1,1,0]=4 4380 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [1,1,0,0,0,0|1,1,0]=4 4381 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [1,1,0,0,0,0|1,1,0]=4 4382 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [1,1,0,0,0,0|1,1,0]=4 4383 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [1,1,0,0,0,0|1,1,0]=4 4384 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [1,1,0,0,0,0|2,0,0]=4 4385 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [1,1,0,0,0,0|2,0,0]=4 4386 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [1,1,0,0,0,0|2,0,0]=4 4387 B11R1.189 CC=Cc1cc(ccn1)C=O 271570a_100016259895_100011290808 [1,1,0,0,0,0|2,0,0]=4 4388 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,1,0,0,0,0|2,0,0]=4 4389 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [1,1,0,0,0,0|1,0,0]=3 4390 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,1,0,0,0,0|2,0,0]=4 4391 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,1,0,0,0,0|2,0,0]=4 4392 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,1,0,0,0,0|1,0,0]=3 4393 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,1,0,0,0,0|1,1,0]=4 4394 B11R1.189 CC=Cc1cccc(n1)C=O 271570a_100016259895_100000688028 [1,1,0,0,0,0|2,0,0]=4 4395 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,1,0,0,0,0|2,0,0]=4 4396 B11R1.189 CC=Cc1ccnc(c1)C=O 271570a_100016259895_100011998288 [1,1,0,0,0,0|2,0,0]=4 4397 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,1,0,0,0,0|2,0,0]=4 4398 B11R1.189 CC=Cc1cncc(c1)C=O 271570a_100016259895_100000687066 [1,1,0,0,0,0|2,0,0]=4 4399 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,1,0,0,0,0|2,0,0]=4 4400 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,1,0,0,0,0|1,0,1]=4 4401 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,1,0,0,0,0|1,0,1]=4 4402 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,1,0,0,0,0|1,0,1]=4 4403 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,1,0,0,0,0|1,0,1]=4 4404 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,1,0,0,0,0|1,0,1]=4 4405 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,1,0,0,0,0|1,0,1]=4 4406 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,1,0,0,0,0|1,0,1]=4 4407 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,1,0,0,0,0|1,0,1]=4 4408 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,1,0,0,0,0|1,0,1]=4 4409 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 4410 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 4411 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,1,0,0,0,0|1,0,1]=4 4412 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,1,0,0,0,0|1,0,1]=4 4413 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,1,0,0,0,0|1,0,1]=4 4414 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,1,0,0,0,0|1,0,1]=4 4415 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,1,0,0,0,0|1,0,1]=4 4416 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,1,0,0,0,0|1,0,1]=4 4417 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,1]=4 4418 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,1,0,0,0,0|0,0,2]=4 4419 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,1,0,0,0,0|0,0,2]=4 4420 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,1,0,0,0,0|2,0,0]=4 4421 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,1,0,0,0,0|2,0,0]=4 4422 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 4423 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 4424 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,1,0,0,0,0|2,0,0]=4 4425 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,1,0,0,0,0|2,0,0]=4 4426 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,1,0,0,0,0|1,0,1]=4 4427 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,1,0,0,0,0|1,0,1]=4 4428 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,1,0,0,0,0|1,0,1]=4 4429 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,1,0,0,0,0|1,0,1]=4 4430 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,1,0,0,0,0|1,0,1]=4 4431 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,1,0,0,0,0|1,0,1]=4 4432 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,1,0,0,0,0|2,0,0]=4 4433 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,1,0,0,0,0|2,0,0]=4 4434 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,1,0,0,0,0|2,0,0]=4 4435 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,1,0,0,0,0|2,0,0]=4 4436 B11R1.189 CCSc1cc(ccn1)C=O 62a_100000210202_100011290808 [1,1,0,0,0,0|1,1,0]=4 4437 B11R1.189 CCSc1cc(ccn1)C=O 62a_100011290808_100000210202 [1,1,0,0,0,0|1,1,0]=4 4438 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [1,1,0,0,0,0|0,1,0]=3 4439 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [1,1,0,0,0,0|0,1,0]=3 4440 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,1,0,0,0,0|1,0,1]=4 4441 B11R1.189 CCSc1cccc(n1)C=O 62a_100000210202_100000688028 [1,1,0,0,0,0|1,1,0]=4 4442 B11R1.189 CCSc1cccc(n1)C=O 62a_100000688028_100000210202 [1,1,0,0,0,0|1,1,0]=4 4443 B11R1.189 CCSc1ccnc(c1)C=O 62a_100000210202_100011998288 [1,1,0,0,0,0|1,1,0]=4 4444 B11R1.189 CCSc1ccnc(c1)C=O 62a_100011998288_100000210202 [1,1,0,0,0,0|1,1,0]=4 4445 B11R1.189 CCSc1cncc(c1)C=O 62a_100000210202_100000687066 [1,1,0,0,0,0|1,1,0]=4 4446 B11R1.189 CCSc1cncc(c1)C=O 62a_100000687066_100000210202 [1,1,0,0,0,0|1,1,0]=4 4447 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,1,0,0,0,0|1,0,1]=4 4448 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,1,0,0,0,0|1,0,1]=4 4449 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [1,1,0,0,0,0|1,0,0]=3 4450 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [1,1,0,0,0,0|1,0,0]=3 4451 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [1,1,0,0,0,0|1,0,0]=3 4452 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,1,0,0,0,0|1,0,1]=4 4453 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,1,0,0,0,0|1,0,1]=4 4454 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,1,0,0,0,0|1,0,1]=4 4455 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,1,0,0,0,0|1,0,1]=4 4456 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,1,0,0,0,0|1,0,1]=4 4457 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,1,0,0,0,0|1,0,1]=4 4458 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,1,0,0,0,0|1,0,1]=4 4459 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,1,0,0,0,0|1,0,1]=4 4460 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,1,0,0,0,0|1,0,1]=4 4461 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,1,0,0,0,0|1,0,1]=4 4462 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,1,0,0,0,0|2,0,0]=4 4463 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,1,0,0,0,0|2,0,0]=4 4464 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 4465 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 4466 B11R1.189 COCc1cccc(c1)C#N 34a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 4467 B11R1.189 COCc1cccc(c1)C#N 34a_100138415774_100000233786 [1,1,0,0,0,0|1,0,1]=4 4468 B11R1.189 COCc1cccc(c1)C#N 7a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 4469 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [1,1,0,0,0,0|0,0,0]=2 4470 B11R1.189 COCc1cccc(c1)CBr 34a_100010188025_200000210301 [1,1,0,0,0,0|1,0,1]=4 4471 B11R1.189 COCc1cccc(c1)CBr 7a_100010188025_200000210301 [1,1,0,0,0,0|1,0,1]=4 4472 B11R1.189 COCc1cccc(c1)CCl 34a_200000090956_200000210301 [1,1,0,0,0,0|1,0,1]=4 4473 B11R1.189 COCc1cccc(c1)CCl 7a_200000090956_200000210301 [1,1,0,0,0,0|1,0,1]=4 4474 B11R1.189 COCc1cccc(c1)CN 34a_100011269909_200000210301 [1,1,0,0,0,0|1,0,1]=4 4475 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [1,1,0,0,0,0|0,0,2]=4 4476 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,1,0,0,0,0|2,0,0]=4 4477 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,1,0,0,0,0|2,0,0]=4 4478 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,1,0,0,0,0|0,0,2]=4 4479 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,1,0,0,0,0|0,0,2]=4 4480 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,1,0,0,0,0|2,0,0]=4 4481 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,1,0,0,0,0|2,0,0]=4 4482 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,1,0,0,0,0|2,0,0]=4 4483 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,1,0,0,0,0|2,0,0]=4 4484 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,1,0,0,0,0|1,0,1]=4 4485 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,1,0,0,0,0|1,0,1]=4 4486 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,1,0,0,0,0|0,0,2]=4 4487 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,1,0,0,0,0|0,0,2]=4 4488 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,1,0,0,0,0|1,0,1]=4 4489 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,1,0,0,0,0|1,0,1]=4 4490 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,1,0,0,0,0|1,0,1]=4 4491 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,1,0,0,0,0|0,0,2]=4 4492 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,1,0,0,0,0|0,1,1]=4 4493 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,1,0,0,0,0|0,1,1]=4 4494 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,1,0,0,0,0|0,1,1]=4 4495 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,1,0,0,0,0|0,1,1]=4 4496 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,1,0,0,0,0|1,0,1]=4 4497 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,1,0,0,0,0|1,0,1]=4 4498 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,1,0,0,0,0|1,0,1]=4 4499 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,1,0,0,0,0|1,0,1]=4 4500 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [1,1,0,0,0,0|0,1,0]=3 4501 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [1,1,0,0,0,0|0,1,0]=3 4502 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,1,0,0,0,0|0,1,0]=3 4503 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,1,0,0,0,0|0,1,0]=3 4504 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,1,0,0,0,0|2,0,0]=4 4505 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,1,0,0,0,0|2,0,0]=4 4506 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,1,0,0,0,0|1,0,1]=4 4507 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,1,0,0,0,0|1,0,1]=4 4508 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,1,0,0,0,0|1,0,1]=4 4509 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,1,0,0,0,0|1,0,1]=4 4510 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 4511 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 4512 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,1,0,0,0,0|1,0,1]=4 4513 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100011998288_100015361967 [1,1,0,0,0,0|1,1,0]=4 4514 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100015361967_100011998288 [1,1,0,0,0,0|1,1,0]=4 4515 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [1,1,0,0,0,0|0,1,0]=3 4516 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [1,1,0,0,0,0|0,1,0]=3 4517 B11R1.189 O=Cc1cccc(n1)SCF 62a_100000688028_100015361967 [1,1,0,0,0,0|1,1,0]=4 4518 B11R1.189 O=Cc1cccc(n1)SCF 62a_100015361967_100000688028 [1,1,0,0,0,0|1,1,0]=4 4519 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100011290808_100015361967 [1,1,0,0,0,0|1,1,0]=4 4520 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100015361967_100011290808 [1,1,0,0,0,0|1,1,0]=4 4521 B11R1.189 O=Cc1cncc(c1)SCF 62a_100000687066_100015361967 [1,1,0,0,0,0|1,1,0]=4 4522 B11R1.189 O=Cc1cncc(c1)SCF 62a_100015361967_100000687066 [1,1,0,0,0,0|1,1,0]=4 4523 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,1,0,0,0,0|0,0,2]=4 4524 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,1,0,0,0,0|0,0,2]=4 4525 B11R1.189 [13CH3]OCc1cccc(c1)C#N 34a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 4526 B11R1.189 [13CH3]OCc1cccc(c1)C#N 7a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 4527 B11R1.189 [13CH3]OCc1cccc(c1)CBr 34a_100010188025_200025704644 [1,1,0,0,0,0|1,0,1]=4 4528 B11R1.189 [13CH3]OCc1cccc(c1)CBr 7a_100010188025_200025704644 [1,1,0,0,0,0|1,0,1]=4 4529 B11R1.189 [13CH3]OCc1cccc(c1)CCl 34a_200000090956_200025704644 [1,1,0,0,0,0|1,0,1]=4 4530 B11R1.189 [13CH3]OCc1cccc(c1)CCl 7a_200000090956_200025704644 [1,1,0,0,0,0|1,0,1]=4 4531 B11R1.189 [13CH3]OCc1cccc(c1)CN 34a_100011269909_200025704644 [1,1,0,0,0,0|1,0,1]=4 4532 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,1,0,0,0,0|1,0,1]=4 4533 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,1,0,0,0,0|1,0,1]=4 4534 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,1,0,0,0,0|0,0,2]=4 4535 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,1,0,0,0,0|0,0,2]=4 4536 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,1,0,0,0,0|1,0,1]=4 4537 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [1,1,0,0,0,0|0,1,0]=3 4538 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [1,1,0,0,0,0|0,1,0]=3 4539 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,1,0,0,0,0|0,1,0]=3 4540 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,1,0,0,0,0|0,1,0]=3 4541 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [1,1,0,0,0,0|1,0,1]=4 4542 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [1,1,0,0,0,0|1,0,1]=4 4543 B11R1.266 C=C(C)c1cc(ccn1)C=O 271570a_100000694244_100011290808 [1,1,0,0,0,0|2,0,0]=4 4544 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [1,1,0,0,0,0|2,0,0]=4 4545 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [1,1,0,0,0,0|1,0,0]=3 4546 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [1,1,0,0,0,0|2,0,0]=4 4547 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [1,1,0,0,0,0|2,0,0]=4 4548 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [1,1,0,0,0,0|1,0,0]=3 4549 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [1,1,0,0,0,0|1,1,0]=4 4550 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [1,1,0,0,0,0|1,1,0]=4 4551 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [1,1,0,0,0,0|1,1,0]=4 4552 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [1,1,0,0,0,0|1,1,0]=4 4553 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [1,1,0,0,0,0|1,1,0]=4 4554 B11R1.266 C=C(C)c1cccc(n1)C=O 271570a_100000694244_100000688028 [1,1,0,0,0,0|2,0,0]=4 4555 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [1,1,0,0,0,0|2,0,0]=4 4556 B11R1.266 C=C(C)c1ccnc(c1)C=O 271570a_100000694244_100011998288 [1,1,0,0,0,0|2,0,0]=4 4557 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [1,1,0,0,0,0|2,0,0]=4 4558 B11R1.266 C=C(C)c1cncc(c1)C=O 271570a_100000694244_100000687066 [1,1,0,0,0,0|2,0,0]=4 4559 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [1,1,0,0,0,0|2,0,0]=4 4560 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [1,1,0,0,0,0|2,0,0]=4 4561 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [1,1,0,0,0,0|1,0,1]=4 4562 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [1,1,0,0,0,0|1,0,1]=4 4563 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [1,1,0,0,0,0|1,0,1]=4 4564 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [1,1,0,0,0,0|1,0,1]=4 4565 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [1,1,0,0,0,0|2,0,0]=4 4566 B11R1.266 C=Cc1cccc(c1)C(C)N 271570a_100011290941_100020642005 [1,1,0,0,0,0|2,0,0]=4 4567 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.266 C=Cc1cccc(c1)N(C)C 271570a_100011290941_100011215952 [1,1,0,0,0,0|2,0,0]=4 4569 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [1,1,0,0,0,0|1,1,0]=4 4570 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [1,1,0,0,0,0|1,1,0]=4 4571 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [1,1,0,0,0,0|1,1,0]=4 4572 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [1,1,0,0,0,0|2,0,0]=4 4573 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|2,0,0]=4 4574 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|0,0,0]=2 4575 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|0,0,0]=2 4576 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,1,0,0,0,0|0,1,0]=3 4577 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,1,0,0,0,0|0,1,0]=3 4578 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [1,1,0,0,0,0|1,1,0]=4 4579 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [1,1,0,0,0,0|1,1,0]=4 4580 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [1,1,0,0,0,0|1,1,0]=4 4581 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [1,1,0,0,0,0|1,1,0]=4 4582 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [1,1,0,0,0,0|1,1,0]=4 4583 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [1,1,0,0,0,0|1,1,0]=4 4584 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [1,1,0,0,0,0|1,0,1]=4 4585 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [1,1,0,0,0,0|1,0,1]=4 4586 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [1,1,0,0,0,0|1,0,1]=4 4587 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [1,1,0,0,0,0|1,0,1]=4 4588 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [1,1,0,0,0,0|0,0,2]=4 4589 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [1,1,0,0,0,0|0,0,2]=4 4590 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|1,0,0]=3 4591 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|1,0,0]=3 4592 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [1,1,0,0,0,0|2,0,0]=4 4593 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,1,0,0,0,0|1,0,0]=3 4594 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [1,1,0,0,0,0|2,0,0]=4 4596 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [1,1,0,0,0,0|2,0,0]=4 4597 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [1,1,0,0,0,0|2,0,0]=4 4598 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|0,0,0]=2 4599 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|0,0,0]=2 4600 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|0,0,0]=2 4601 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|0,0,0]=2 4602 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|0,0,0]=2 4603 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|0,0,0]=2 4604 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [1,1,0,0,0,0|0,1,0]=3 4605 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [1,1,0,0,0,0|1,0,1]=4 4606 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [1,1,0,0,0,0|1,0,1]=4 4607 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [1,1,0,0,0,0|1,0,1]=4 4608 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [1,1,0,0,0,0|1,0,1]=4 4609 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [1,1,0,0,0,0|0,0,2]=4 4610 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [1,1,0,0,0,0|0,0,2]=4 4611 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4612 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4613 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4614 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [1,1,0,0,0,0|2,0,0]=4 4615 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4616 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4617 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [1,1,0,0,0,0|2,0,0]=4 4618 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|1,0,0]=3 4619 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|1,0,0]=3 4620 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [1,1,0,0,0,0|1,0,0]=3 4621 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [1,1,0,0,0,0|2,0,0]=4 4622 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [1,1,0,0,0,0|2,0,0]=4 4623 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [1,1,0,0,0,0|1,1,0]=4 4624 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [1,1,0,0,0,0|1,1,0]=4 4625 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [1,1,0,0,0,0|1,1,0]=4 4626 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [1,1,0,0,0,0|1,1,0]=4 4627 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [1,1,0,0,0,0|1,1,0]=4 4628 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [1,1,0,0,0,0|1,1,0]=4 4629 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,1,0,0,0,0|0,1,0]=3 4630 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,1,0,0,0,0|0,1,0]=3 4631 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,1,0,0,0,0|0,1,0]=3 4632 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,1,0,0,0,0|0,1,0]=3 4633 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,1,0,0,0,0|0,1,0]=3 4634 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,1,0,0,0,0|0,1,0]=3 4635 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [1,1,0,0,0,0|1,1,0]=4 4636 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [1,1,0,0,0,0|1,1,0]=4 4637 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [1,1,0,0,0,0|1,1,0]=4 4638 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [1,1,0,0,0,0|1,1,0]=4 4639 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [1,1,0,0,0,0|1,1,0]=4 4640 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [1,1,0,0,0,0|1,1,0]=4 4641 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [1,1,0,0,0,0|1,1,0]=4 4642 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [1,1,0,0,0,0|1,1,0]=4 4643 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [1,1,0,0,0,0|1,1,0]=4 4644 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [1,1,0,0,0,0|1,1,0]=4 4645 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [1,1,0,0,0,0|1,1,0]=4 4646 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [1,1,0,0,0,0|1,1,0]=4 4647 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [1,1,0,0,0,0|1,1,0]=4 4648 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [1,1,0,0,0,0|1,1,0]=4 4649 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [1,1,0,0,0,0|2,0,0]=4 4650 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|2,0,0]=4 4651 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,1,0,0,0,0|1,0,0]=3 4652 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,1,0,0,0,0|2,0,0]=4 4653 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|0,0,0]=2 4654 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|0,0,0]=2 4655 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [1,1,0,0,0,0|0,1,0]=3 4656 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|1,0,0]=3 4657 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|1,0,0]=3 4658 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4659 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4660 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4661 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [1,1,0,0,0,0|1,1,0]=4 4662 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [1,1,0,0,0,0|1,1,0]=4 4663 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,1,0,0,0,0|0,1,0]=3 4664 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,1,0,0,0,0|0,1,0]=3 4665 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [1,1,0,0,0,0|1,1,0]=4 4666 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [1,1,0,0,0,0|1,1,0]=4 4667 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [1,1,0,0,0,0|1,1,0]=4 4668 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [1,1,0,0,0,0|1,1,0]=4 4669 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [1,1,0,0,0,0|1,1,0]=4 4670 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [1,1,0,0,0,0|1,1,0]=4 4671 B11R1.267 C=Cc1cccc(c1C)C=O 271570a_100011290941_100012179384 [1,1,0,0,0,0|1,0,1]=4 4672 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [1,1,0,0,0,0|1,0,0]=3 4673 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [1,1,0,0,0,0|1,0,0]=3 4674 B11R1.267 C=Cc1cccc(c1F)C=O 271570a_100011290941_100000766533 [1,1,0,0,0,0|1,0,1]=4 4675 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [1,1,0,0,0,0|1,0,0]=3 4676 B11R1.267 C=Cc1cccc(c1F)SC 62a_100010741937_200000210301 [1,1,0,0,0,0|1,1,0]=4 4677 B11R1.267 C=Cc1cccc(c1F)SC 62a_200000210301_100010741937 [1,1,0,0,0,0|1,1,0]=4 4678 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_100010741937_200025704644 [1,1,0,0,0,0|1,1,0]=4 4679 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_200025704644_100010741937 [1,1,0,0,0,0|1,1,0]=4 4680 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [1,1,0,0,0,0|1,0,1]=4 4681 B11R1.267 C=Cc1cccc(c1N)NC 271570a_100011290941_100000695761 [1,1,0,0,0,0|2,0,0]=4 4682 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [1,1,0,0,0,0|1,0,0]=3 4683 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [1,1,0,0,0,0|1,0,1]=4 4684 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [1,1,0,0,0,0|2,0,0]=4 4685 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [1,1,0,0,0,0|1,0,0]=3 4686 B11R1.267 C=Cc1ccnc(c1C)OC 271570a_100011290941_100010068544 [1,1,0,0,0,0|2,0,0]=4 4687 B11R1.267 C=Cc1ccnc(c1F)OC 271570a_100011290941_100009885657 [1,1,0,0,0,0|2,0,0]=4 4688 B11R1.267 C=Cc1cncc(c1C)OC 271570a_100011290941_100010136163 [1,1,0,0,0,0|2,0,0]=4 4689 B11R1.267 C=Cc1nccc(c1C)OC 271570a_100011290941_100010067686 [1,1,0,0,0,0|2,0,0]=4 4690 B11R1.267 C=Cc1nccc(c1F)OC 271570a_100011290941_200010136267 [1,1,0,0,0,0|2,0,0]=4 4691 B11R1.267 C=Cc1nccc(c1N)OC 271570a_100011290941_100000100113 [1,1,0,0,0,0|2,0,0]=4 4692 B11R1.267 CNc1cccc(c1Br)OC 34a_100000703447_200000210301 [1,1,0,0,0,0|2,0,0]=4 4693 B11R1.267 CNc1cccc(c1C)OC 34a_100011244893_200000210301 [1,1,0,0,0,0|2,0,0]=4 4694 B11R1.267 CNc1cccc(c1C)OC 7a_100011244893_200000210301 [1,1,0,0,0,0|2,0,0]=4 4695 B11R1.267 CNc1cccc(c1Cl)OC 34a_100000089720_200000210301 [1,1,0,0,0,0|2,0,0]=4 4696 B11R1.267 CNc1cccc(c1F)OC 34a_100000100910_200000210301 [1,1,0,0,0,0|2,0,0]=4 4697 B11R1.267 CNc1cccc(c1I)OC 34a_100010245509_200000210301 [1,1,0,0,0,0|2,0,0]=4 4698 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [1,1,0,0,0,0|2,0,0]=4 4699 B11R1.267 COc1cccc(c1Br)C#N 34a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 4700 B11R1.267 COc1cccc(c1Br)C#N 7a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 4701 B11R1.267 COc1cccc(c1Br)N[13CH3] 34a_100000703447_200025704644 [1,1,0,0,0,0|2,0,0]=4 4702 B11R1.267 COc1cccc(c1Br)OC 34a_100010202623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4703 B11R1.267 COc1cccc(c1Br)OC 7a_100010202623_200000210301 [1,1,0,0,0,0|2,0,0]=4 4704 B11R1.267 COc1cccc(c1Br)O[13CH3] 34a_100010202623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4705 B11R1.267 COc1cccc(c1Br)O[13CH3] 7a_100010202623_200025704644 [1,1,0,0,0,0|2,0,0]=4 4706 B11R1.267 COc1cccc(c1Br)SC 62a_100010146559_200000210301 [1,1,0,0,0,0|2,0,0]=4 4707 B11R1.267 COc1cccc(c1Br)SC 62a_200000210301_100010146559 [1,1,0,0,0,0|2,0,0]=4 4708 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_100010146559_200025704644 [1,1,0,0,0,0|2,0,0]=4 4709 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_200025704644_100010146559 [1,1,0,0,0,0|2,0,0]=4 4710 B11R1.267 COc1cccc(c1C)C#N 34a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4711 B11R1.267 COc1cccc(c1C)C#N 7a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4712 B11R1.267 COc1cccc(c1C)CO 34a_200000084602_200000210301 [1,1,0,0,0,0|0,0,2]=4 4713 B11R1.267 COc1cccc(c1C)CO 7a_200000084602_200000210301 [1,1,0,0,0,0|0,0,2]=4 4714 B11R1.267 COc1cccc(c1C)N[13CH3] 34a_100011244893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4715 B11R1.267 COc1cccc(c1C)N[13CH3] 7a_100011244893_200025704644 [1,1,0,0,0,0|2,0,0]=4 4716 B11R1.267 COc1cccc(c1C)SC 62a_100010002647_200000210301 [1,1,0,0,0,0|2,0,0]=4 4717 B11R1.267 COc1cccc(c1C)SC 62a_200000210301_100010002647 [1,1,0,0,0,0|2,0,0]=4 4718 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_100010002647_200025704644 [1,1,0,0,0,0|2,0,0]=4 4719 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_200025704644_100010002647 [1,1,0,0,0,0|2,0,0]=4 4720 B11R1.267 COc1cccc(c1Cl)C#N 34a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 4721 B11R1.267 COc1cccc(c1Cl)C#N 7a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 4722 B11R1.267 COc1cccc(c1Cl)N[13CH3] 34a_100000089720_200025704644 [1,1,0,0,0,0|2,0,0]=4 4723 B11R1.267 COc1cccc(c1Cl)OC 34a_100000087810_200000210301 [1,1,0,0,0,0|2,0,0]=4 4724 B11R1.267 COc1cccc(c1Cl)OC 7a_100000087810_200000210301 [1,1,0,0,0,0|2,0,0]=4 4725 B11R1.267 COc1cccc(c1Cl)O[13CH3] 34a_100000087810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4726 B11R1.267 COc1cccc(c1Cl)O[13CH3] 7a_100000087810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4727 B11R1.267 COc1cccc(c1Cl)SC 62a_100010147677_200000210301 [1,1,0,0,0,0|2,0,0]=4 4728 B11R1.267 COc1cccc(c1Cl)SC 62a_200000210301_100010147677 [1,1,0,0,0,0|2,0,0]=4 4729 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_100010147677_200025704644 [1,1,0,0,0,0|2,0,0]=4 4730 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_200025704644_100010147677 [1,1,0,0,0,0|2,0,0]=4 4731 B11R1.267 COc1cccc(c1F)C#N 34a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 4732 B11R1.267 COc1cccc(c1F)C#N 7a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 4733 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [1,1,0,0,0,0|1,0,1]=4 4734 B11R1.267 COc1cccc(c1F)N[13CH3] 34a_100000100910_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B11R1.267 COc1cccc(c1F)OC 34a_100000102366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4736 B11R1.267 COc1cccc(c1F)OC 7a_100000102366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4737 B11R1.267 COc1cccc(c1F)O[13CH3] 34a_100000102366_200025704644 [1,1,0,0,0,0|2,0,0]=4 4738 B11R1.267 COc1cccc(c1F)O[13CH3] 7a_100000102366_200025704644 [1,1,0,0,0,0|2,0,0]=4 4739 B11R1.267 COc1cccc(c1F)SC 62a_100010185846_200000210301 [1,1,0,0,0,0|2,0,0]=4 4740 B11R1.267 COc1cccc(c1F)SC 62a_200000210301_100010185846 [1,1,0,0,0,0|2,0,0]=4 4741 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_100010185846_200025704644 [1,1,0,0,0,0|2,0,0]=4 4742 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_200025704644_100010185846 [1,1,0,0,0,0|2,0,0]=4 4743 B11R1.267 COc1cccc(c1I)N[13CH3] 34a_100010245509_200025704644 [1,1,0,0,0,0|2,0,0]=4 4744 B11R1.267 COc1cccc(c1I)OC 34a_200010201982_200000210301 [1,1,0,0,0,0|2,0,0]=4 4745 B11R1.267 COc1cccc(c1I)OC 7a_200010201982_200000210301 [1,1,0,0,0,0|2,0,0]=4 4746 B11R1.267 COc1cccc(c1I)O[13CH3] 34a_200010201982_200025704644 [1,1,0,0,0,0|2,0,0]=4 4747 B11R1.267 COc1cccc(c1I)O[13CH3] 7a_200010201982_200025704644 [1,1,0,0,0,0|2,0,0]=4 4748 B11R1.267 COc1cccc(c1N)OC 34a_100012022766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4749 B11R1.267 COc1cccc(c1N)OC 7a_100012022766_200000210301 [1,1,0,0,0,0|2,0,0]=4 4750 B11R1.267 COc1cccc(c1N)O[13CH3] 34a_100012022766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4751 B11R1.267 COc1cccc(c1N)O[13CH3] 7a_100012022766_200025704644 [1,1,0,0,0,0|2,0,0]=4 4752 B11R1.267 COc1cccc(c1N)SC 62a_100000708083_200000210301 [1,1,0,0,0,0|2,0,0]=4 4753 B11R1.267 COc1cccc(c1N)S[13CH3] 62a_100000708083_200025704644 [1,1,0,0,0,0|2,0,0]=4 4754 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [1,1,0,0,0,0|0,0,2]=4 4755 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [1,1,0,0,0,0|2,0,0]=4 4756 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [1,1,0,0,0,0|2,0,0]=4 4757 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [1,1,0,0,0,0|2,0,0]=4 4758 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [1,1,0,0,0,0|2,0,0]=4 4759 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [1,1,0,0,0,0|0,1,0]=3 4760 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [1,1,0,0,0,0|0,1,0]=3 4761 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [1,1,0,0,0,0|0,1,0]=3 4762 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [1,1,0,0,0,0|0,1,0]=3 4763 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [1,1,0,0,0,0|0,1,0]=3 4764 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [1,1,0,0,0,0|0,1,0]=3 4765 B11R1.267 CSc1ccnc(c1F)C=O 62a_100015713984_200000210301 [1,1,0,0,0,0|1,1,0]=4 4766 B11R1.267 CSc1ccnc(c1F)C=O 62a_200000210301_100015713984 [1,1,0,0,0,0|1,1,0]=4 4767 B11R1.267 CSc1cncc(c1C)C=O 62a_100010214934_200000210301 [1,1,0,0,0,0|1,1,0]=4 4768 B11R1.267 CSc1cncc(c1C)C=O 62a_200000210301_100010214934 [1,1,0,0,0,0|1,1,0]=4 4769 B11R1.267 CSc1cncc(c1N)C=O 62a_100010729279_200000210301 [1,1,0,0,0,0|1,1,0]=4 4770 B11R1.267 CSc1cncc(c1N)C=O 62a_200000210301_100010729279 [1,1,0,0,0,0|1,1,0]=4 4771 B11R1.267 CSc1cncc(c1O)C=O 62a_100010729654_200000210301 [1,1,0,0,0,0|1,1,0]=4 4772 B11R1.267 CSc1cncc(c1O)C=O 62a_200000210301_100010729654 [1,1,0,0,0,0|1,1,0]=4 4773 B11R1.267 CSc1nccc(c1C)C=O 62a_100000096011_200000210301 [1,1,0,0,0,0|1,1,0]=4 4774 B11R1.267 CSc1nccc(c1C)C=O 62a_200000210301_100000096011 [1,1,0,0,0,0|1,1,0]=4 4775 B11R1.267 CSc1nccc(c1F)C=O 62a_100000050688_200000210301 [1,1,0,0,0,0|1,1,0]=4 4776 B11R1.267 CSc1nccc(c1F)C=O 62a_200000210301_100000050688 [1,1,0,0,0,0|1,1,0]=4 4777 B11R1.267 Cc1c(cccc1O[13CH3])C#N 34a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4778 B11R1.267 Cc1c(cccc1O[13CH3])C#N 7a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4779 B11R1.267 Cc1c(cccc1O[13CH3])CO 34a_200000084602_200025704644 [1,1,0,0,0,0|0,0,2]=4 4780 B11R1.267 Cc1c(cccc1O[13CH3])CO 7a_200000084602_200025704644 [1,1,0,0,0,0|0,0,2]=4 4781 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [1,1,0,0,0,0|0,1,0]=3 4782 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [1,1,0,0,0,0|0,1,0]=3 4783 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_100000096011_200025704644 [1,1,0,0,0,0|1,1,0]=4 4784 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_200025704644_100000096011 [1,1,0,0,0,0|1,1,0]=4 4785 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_100010214934_200025704644 [1,1,0,0,0,0|1,1,0]=4 4786 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_200025704644_100010214934 [1,1,0,0,0,0|1,1,0]=4 4787 B11R1.267 N#Cc1cccc(c1O)C=O 271570a_203496583355_100010133059 [1,1,0,0,0,0|2,0,0]=4 4788 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 34a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 4789 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 7a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 4790 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 34a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 4791 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 7a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 4792 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 34a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 4793 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 7a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 4794 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [1,1,0,0,0,0|1,0,1]=4 4795 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [1,1,0,0,0,0|0,1,0]=3 4796 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [1,1,0,0,0,0|0,1,0]=3 4797 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [1,1,0,0,0,0|0,1,0]=3 4798 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [1,1,0,0,0,0|0,1,0]=3 4799 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_100015713984_200025704644 [1,1,0,0,0,0|1,1,0]=4 4800 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_200025704644_100015713984 [1,1,0,0,0,0|1,1,0]=4 4801 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_100010729279_200025704644 [1,1,0,0,0,0|1,1,0]=4 4802 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_200025704644_100010729279 [1,1,0,0,0,0|1,1,0]=4 4803 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_100010729654_200025704644 [1,1,0,0,0,0|1,1,0]=4 4804 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_200025704644_100010729654 [1,1,0,0,0,0|1,1,0]=4 4805 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_100000050688_200025704644 [1,1,0,0,0,0|1,1,0]=4 4806 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_200025704644_100000050688 [1,1,0,0,0,0|1,1,0]=4 4807 B11R1.14 C=Cc1cc(c(c(c1)Br)O)C 271570a_100011290941_100010982682 [1,1,0,0,0,0|1,0,0]=3 4808 B11R1.14 C=Cc1cc(c(c(c1)C)C)C 271570a_100011290941_200011015895 [1,1,0,0,0,0|2,0,0]=4 4809 B11R1.14 C=Cc1cc(c(c(c1)C)F)C 271570a_100011290941_100009814169 [1,1,0,0,0,0|2,0,0]=4 4810 B11R1.14 C=Cc1cc(c(c(c1)C)N)C 271570a_100011290941_100000737279 [1,1,0,0,0,0|2,0,0]=4 4811 B11R1.14 C=Cc1cc(c(c(c1)C)O)C 271570a_100011290941_100000187306 [1,1,0,0,0,0|1,0,0]=3 4812 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)C 271570a_100011290941_200015900153 [1,1,0,0,0,0|1,0,0]=3 4813 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100011290941_100012339652 [1,1,0,0,0,0|2,0,0]=4 4814 B11R1.14 C=Cc1cc(c(c(c1)F)F)C 271570a_100011290941_200011068660 [1,1,0,0,0,0|2,0,0]=4 4815 B11R1.14 C=Cc1cc(c(c(c1)F)F)O 271570a_100011290941_100000709865 [1,1,0,0,0,0|2,0,0]=4 4816 B11R1.14 C=Cc1cc(c(c(c1)F)N)C 271570a_100011290941_100000709789 [1,1,0,0,0,0|2,0,0]=4 4817 B11R1.14 C=Cc1cc(c(c(c1)F)N)O 271570a_100011290941_100015475841 [1,1,0,0,0,0|2,0,0]=4 4818 B11R1.14 C=Cc1cc(c(c(c1)F)O)F 271570a_100011290941_100011216917 [1,1,0,0,0,0|2,0,0]=4 4819 B11R1.14 C=Cc1cc(c(c(c1)F)O)N 271570a_100011290941_100011217383 [1,1,0,0,0,0|2,0,0]=4 4820 B11R1.14 C=Cc1cc(c(c(c1)N)F)C 271570a_100011290941_100010381932 [1,1,0,0,0,0|2,0,0]=4 4821 B11R1.14 C=Cc1cc(c(c(c1)N)N)C 271570a_100011290941_100000688557 [1,1,0,0,0,0|2,0,0]=4 4822 B11R1.14 C=Cc1cc(c(c(c1)N)O)C 271570a_100011290941_100011825904 [1,1,0,0,0,0|1,0,0]=3 4823 B11R1.14 C=Cc1cc(c(c(c1)O)N)C 271570a_100011290941_100010371313 [1,1,0,0,0,0|2,0,0]=4 4824 B11R1.14 CNc1cc(c(c(c1)Br)O)C 34a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4825 B11R1.14 CNc1cc(c(c(c1)Br)O)C 7a_100010064301_200000210301 [1,1,0,0,0,0|2,0,0]=4 4826 B11R1.14 CNc1cc(c(c(c1)C)O)C 34a_100000703291_200000210301 [1,1,0,0,0,0|2,0,0]=4 4827 B11R1.14 CNc1cc(c(c(c1)C)O)C 7a_100000703291_200000210301 [1,1,0,0,0,0|2,0,0]=4 4828 B11R1.14 COc1cc(c(c(c1)C)O)C 271570a_203496583355_100012160682 [1,1,0,0,0,0|2,0,0]=4 4829 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [1,1,0,0,0,0|2,0,0]=4 4830 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_100010982682_200000210301 [1,1,0,0,0,0|2,0,0]=4 4831 B11R1.14 CSc1cc(c(c(c1)Br)O)C 62a_200000210301_100010982682 [1,1,0,0,0,0|2,0,0]=4 4832 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_100011216129_200000210301 [1,1,0,0,0,0|2,0,0]=4 4833 B11R1.14 CSc1cc(c(c(c1)C)O)C 62a_200000210301_100011216129 [1,1,0,0,0,0|2,0,0]=4 4834 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200000210301_200015900153 [1,1,0,0,0,0|2,0,0]=4 4835 B11R1.14 CSc1cc(c(c(c1)Cl)O)C 62a_200015900153_200000210301 [1,1,0,0,0,0|2,0,0]=4 4836 B11R1.14 CSc1cc(c(c(c1)F)O)O 62a_200000210301_100010114375 [1,1,0,0,0,0|2,0,0]=4 4837 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_100011825904_200000210301 [1,1,0,0,0,0|2,0,0]=4 4838 B11R1.14 CSc1cc(c(c(c1)N)O)C 62a_200000210301_100011825904 [1,1,0,0,0,0|2,0,0]=4 4839 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [1,1,0,0,0,0|2,0,0]=4 4840 B11R1.14 Cc1c(cc(cc1F)C=O)O 271570a_203496583355_100010132949 [1,1,0,0,0,0|1,0,0]=3 4841 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 34a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4842 B11R1.14 Cc1cc(cc(c1O)Br)N[13CH3] 7a_100010064301_200025704644 [1,1,0,0,0,0|2,0,0]=4 4843 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_100010982682_200025704644 [1,1,0,0,0,0|2,0,0]=4 4844 B11R1.14 Cc1cc(cc(c1O)Br)S[13CH3] 62a_200025704644_100010982682 [1,1,0,0,0,0|2,0,0]=4 4845 B11R1.14 Cc1cc(cc(c1O)C)C#N 271570a_203496583355_100000707521 [1,1,0,0,0,0|1,0,1]=4 4846 B11R1.14 Cc1cc(cc(c1O)C)C=O 271570a_203496583355_100000102522 [1,1,0,0,0,0|0,0,0]=2 4847 B11R1.14 Cc1cc(cc(c1O)C)CO 271570a_203496583355_100012339607 [1,1,0,0,0,0|0,0,2]=4 4848 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 34a_100000703291_200025704644 [1,1,0,0,0,0|2,0,0]=4 4849 B11R1.14 Cc1cc(cc(c1O)C)N[13CH3] 7a_100000703291_200025704644 [1,1,0,0,0,0|2,0,0]=4 4850 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_100011216129_200025704644 [1,1,0,0,0,0|2,0,0]=4 4851 B11R1.14 Cc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100011216129 [1,1,0,0,0,0|2,0,0]=4 4852 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200015900153_200025704644 [1,1,0,0,0,0|2,0,0]=4 4853 B11R1.14 Cc1cc(cc(c1O)Cl)S[13CH3] 62a_200025704644_200015900153 [1,1,0,0,0,0|2,0,0]=4 4854 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_100011825904_200025704644 [1,1,0,0,0,0|2,0,0]=4 4855 B11R1.14 Cc1cc(cc(c1O)N)S[13CH3] 62a_200025704644_100011825904 [1,1,0,0,0,0|2,0,0]=4 4856 B11R1.14 N#Cc1cc(c(c(c1)O)O)O 271570a_203496583355_100010672013 [1,1,0,0,0,0|1,0,1]=4 4857 B11R1.14 O=Cc1cc(c(c(c1)Br)F)O 271570a_203496583355_100010270029 [1,1,0,0,0,0|1,0,0]=3 4858 B11R1.14 O=Cc1cc(c(c(c1)F)F)O 271570a_203496583355_200010341283 [1,1,0,0,0,0|1,0,0]=3 4859 B11R1.14 O=Cc1cc(c(c(c1)F)O)F 271570a_203496583355_100000104493 [1,1,0,0,0,0|1,0,0]=3 4860 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [1,1,0,0,0,0|0,0,0]=2 4861 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)O)O 62a_200025704644_100010114375 [1,1,0,0,0,0|2,0,0]=4 4862 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [1,1,0,0,0,0|2,0,0]=4 4863 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [1,1,0,0,0,0|2,0,0]=4 4864 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|2,0,0]=4 4865 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [1,1,0,0,0,0|2,0,0]=4 4866 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|2,0,0]=4 4867 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [1,1,0,0,0,0|2,0,0]=4 4868 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [1,1,0,0,0,0|2,0,0]=4 4869 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|2,0,0]=4 4870 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|1,0,0]=3 4871 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|2,0,0]=4 4872 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|2,0,0]=4 4873 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|2,0,0]=4 4874 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|2,0,0]=4 4875 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|2,0,0]=4 4876 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|2,0,0]=4 4877 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|2,0,0]=4 4878 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 4879 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|1,0,0]=3 4880 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [1,1,0,0,0,0|2,0,0]=4 4881 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [1,1,0,0,0,0|2,0,0]=4 4882 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,1,0,0,0,0|1,0,0]=3 4883 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 4884 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|2,0,0]=4 4885 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 4886 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4887 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 4888 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,0]=3 4889 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,0]=3 4890 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|1,0,0]=3 4891 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|1,0,0]=3 4892 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|1,0,0]=3 4893 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|1,0,0]=3 4894 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|1,0,0]=3 4895 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|0,0,0]=2 4896 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|0,0,0]=2 4897 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 4898 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|2,0,0]=4 4899 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 4900 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 4901 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 4902 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,0]=3 4903 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 4904 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|2,0,0]=4 4905 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 4906 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 4907 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 4908 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,0]=3 4909 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,0]=3 4910 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4911 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|2,0,0]=4 4912 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 4913 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 4914 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 4915 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,0]=3 4916 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,0]=3 4917 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|1,0,0]=3 4918 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|1,0,0]=3 4919 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,0]=3 4920 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,0]=3 4921 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|1,0,0]=3 4922 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|1,0,0]=3 4923 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|1,0,0]=3 4924 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|1,0,0]=3 4925 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,0]=3 4926 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|0,0,0]=2 4927 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|0,0,0]=2 4928 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,1,0,0,0,0|1,0,0]=3 4929 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [1,1,0,0,0,0|2,0,0]=4 4930 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|1,0,0]=3 4931 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|1,0,0]=3 4932 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|1,0,0]=3 4933 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|1,0,0]=3 4934 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|1,0,1]=4 4935 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|0,0,0]=2 4936 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|0,0,0]=2 4937 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,1,0,0,0,0|2,0,0]=4 4938 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|2,0,0]=4 4939 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|1,0,0]=3 4940 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|2,0,0]=4 4941 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|2,0,0]=4 4942 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|2,0,0]=4 4943 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|1,0,0]=3 4944 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,0]=3 4945 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|1,0,0]=3 4946 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|1,0,0]=3 4947 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|1,0,0]=3 4948 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|0,0,0]=2 4949 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 4950 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 4951 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4952 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 4953 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,0]=3 4954 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 4955 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 4956 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 4957 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 4958 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,0]=3 4959 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 4960 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 4961 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 4962 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 4963 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,0]=3 4964 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4965 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 4966 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 4967 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 4968 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,0]=3 4969 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|1,0,0]=3 4970 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|1,0,0]=3 4971 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|1,0,0]=3 4972 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|1,0,0]=3 4973 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|0,0,0]=2 4974 B11R1.192 C=C=Cc1cc(c(cn1)O)C 271570a_100015277604_100000692680 [1,1,0,0,0,0|2,0,0]=4 4975 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [1,1,0,0,0,0|2,0,0]=4 4976 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [1,1,0,0,0,0|2,0,0]=4 4977 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [1,1,0,0,0,0|2,0,0]=4 4978 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [1,1,0,0,0,0|2,0,0]=4 4979 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [1,1,0,0,0,0|2,0,0]=4 4980 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [1,1,0,0,0,0|2,0,0]=4 4981 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,1,0,0,0,0|1,0,0]=3 4982 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [1,1,0,0,0,0|2,0,0]=4 4983 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [1,1,0,0,0,0|2,0,0]=4 4984 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [1,1,0,0,0,0|2,0,0]=4 4985 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [1,1,0,0,0,0|2,0,0]=4 4986 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,1,0,0,0,0|2,0,0]=4 4987 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [1,1,0,0,0,0|2,0,0]=4 4988 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [1,1,0,0,0,0|2,0,0]=4 4989 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [1,1,0,0,0,0|2,0,0]=4 4990 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,1,0,0,0,0|1,0,0]=3 4991 B11R1.192 C=C=Cc1ccc(c(n1)C)O 271570a_100015277604_100010233687 [1,1,0,0,0,0|2,0,0]=4 4992 B11R1.192 C=C=Cc1cnc(c(c1)C)O 271570a_100015277604_100000685391 [1,1,0,0,0,0|2,0,0]=4 4993 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [1,1,0,0,0,0|2,0,0]=4 4994 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,1,0,0,0,0|2,0,0]=4 4995 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [1,1,0,0,0,0|2,0,0]=4 4996 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,1,0,0,0,0|2,0,0]=4 4997 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [1,1,0,0,0,0|2,0,0]=4 4998 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [1,1,0,0,0,0|2,0,0]=4 4999 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [1,1,0,0,0,0|2,0,0]=4 5000 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|1,0,0]=3 5001 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,1,0,0,0,0|2,0,0]=4 5002 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,1,0,0,0,0|2,0,0]=4 5003 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,1,0,0,0,0|2,0,0]=4 5004 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,1,0,0,0,0|2,0,0]=4 5005 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|2,0,0]=4 5006 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,1,0,0,0,0|2,0,0]=4 5007 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,1,0,0,0,0|2,0,0]=4 5008 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,1,0,0,0,0|2,0,0]=4 5009 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|1,0,0]=3 5010 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [1,1,0,0,0,0|2,0,0]=4 5011 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [1,1,0,0,0,0|2,0,0]=4 5012 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,1,0,0,0,0|1,0,1]=4 5013 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,1,0,0,0,0|1,0,1]=4 5014 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,1,0,0,0,0|1,0,1]=4 5015 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|1,0,1]=4 5016 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,1,0,0,0,0|1,0,1]=4 5017 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,1,0,0,0,0|1,0,1]=4 5018 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|1,0,1]=4 5019 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,1]=4 5020 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|1,0,1]=4 5021 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,1,0,0,0,0|1,0,1]=4 5022 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,1,0,0,0,0|1,0,1]=4 5023 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,1,0,0,0,0|1,0,1]=4 5024 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|1,0,1]=4 5025 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|1,0,1]=4 5026 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,1]=4 5027 B11R1.278 C=Cc1ccc(c(c1C)C)Br 271570a_100011290941_200010185626 [1,1,0,0,0,0|2,0,0]=4 5028 B11R1.278 C=Cc1ccc(c(c1C)C)F 271570a_100011290941_100009816033 [1,1,0,0,0,0|2,0,0]=4 5029 B11R1.278 C=Cc1ccc(c(c1C)C)N 271570a_100011290941_100009816967 [1,1,0,0,0,0|2,0,0]=4 5030 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,1,0,0,0,0|1,0,0]=3 5031 B11R1.278 C=Cc1ccc(c(c1C)N)O 271570a_100011290941_100013039247 [1,1,0,0,0,0|2,0,0]=4 5032 B11R1.278 C=Cc1ccc(c(c1Cl)C)Br 271570a_100011290941_100055076181 [1,1,0,0,0,0|2,0,0]=4 5033 B11R1.278 C=Cc1ccc(c(c1Cl)C)Cl 271570a_100011290941_100010730154 [1,1,0,0,0,0|2,0,0]=4 5034 B11R1.278 C=Cc1ccc(c(c1F)C)C 271570a_100011290941_200015555822 [1,1,0,0,0,0|2,0,0]=4 5035 B11R1.278 C=Cc1ccc(c(c1F)C)F 271570a_100011290941_100009815987 [1,1,0,0,0,0|2,0,0]=4 5036 B11R1.278 C=Cc1ccc(c(c1F)C)N 271570a_100011290941_100010208198 [1,1,0,0,0,0|2,0,0]=4 5037 B11R1.278 C=Cc1ccc(c(c1F)C)O 271570a_100011290941_100010390934 [1,1,0,0,0,0|1,0,0]=3 5038 B11R1.278 C=Cc1ccc(c(c1F)F)O 271570a_100011290941_100011830415 [1,1,0,0,0,0|2,0,0]=4 5039 B11R1.278 C=Cc1ccc(c(c1F)O)Br 271570a_100011290941_200010782288 [1,1,0,0,0,0|2,0,0]=4 5040 B11R1.278 C=Cc1ccc(c(c1F)O)F 271570a_100011290941_100010167067 [1,1,0,0,0,0|2,0,0]=4 5041 B11R1.278 C=Cc1ccc(c(c1N)C)F 271570a_100011290941_100011009917 [1,1,0,0,0,0|2,0,0]=4 5042 B11R1.278 C=Cc1ccc(c(c1N)O)Br 271570a_100011290941_100020748643 [1,1,0,0,0,0|2,0,0]=4 5043 B11R1.278 C=Cc1ccc(c(c1O)C)F 271570a_100011290941_200010391124 [1,1,0,0,0,0|2,0,0]=4 5044 B11R1.278 C=Cc1cnc(c(c1C)C)O 271570a_100011290941_200011099879 [1,1,0,0,0,0|2,0,0]=4 5045 B11R1.278 CNc1ccc(c(c1C)C)O 34a_200011216674_200000210301 [1,1,0,0,0,0|2,0,0]=4 5046 B11R1.278 CNc1ccc(c(c1C)C)O 7a_200011216674_200000210301 [1,1,0,0,0,0|2,0,0]=4 5047 B11R1.278 CNc1ccc(c(c1F)C)O 34a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 5048 B11R1.278 CNc1ccc(c(c1F)C)O 7a_200000126710_200000210301 [1,1,0,0,0,0|2,0,0]=4 5049 B11R1.278 COc1ccc(c(c1C)C)O 271570a_203496583355_100000049725 [1,1,0,0,0,0|2,0,0]=4 5050 B11R1.278 CSc1ccc(c(c1C)C)O 62a_100012353674_200000210301 [1,1,0,0,0,0|2,0,0]=4 5051 B11R1.278 CSc1ccc(c(c1C)C)O 62a_200000210301_100012353674 [1,1,0,0,0,0|2,0,0]=4 5052 B11R1.278 CSc1ccc(c(c1F)C)O 271570a_203496583355_202125771832 [1,1,0,0,0,0|2,0,0]=4 5053 B11R1.278 CSc1ccc(c(c1F)C)O 62a_100010390934_200000210301 [1,1,0,0,0,0|2,0,0]=4 5054 B11R1.278 CSc1ccc(c(c1F)C)O 62a_200000210301_100010390934 [1,1,0,0,0,0|2,0,0]=4 5055 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 34a_200011216674_200025704644 [1,1,0,0,0,0|2,0,0]=4 5056 B11R1.278 Cc1c(ccc(c1C)N[13CH3])O 7a_200011216674_200025704644 [1,1,0,0,0,0|2,0,0]=4 5057 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_100012353674_200025704644 [1,1,0,0,0,0|2,0,0]=4 5058 B11R1.278 Cc1c(ccc(c1C)S[13CH3])O 62a_200025704644_100012353674 [1,1,0,0,0,0|2,0,0]=4 5059 B11R1.278 Cc1c(ccc(c1F)C#N)O 271570a_203496583355_100015905921 [1,1,0,0,0,0|1,0,1]=4 5060 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|0,0,0]=2 5061 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 34a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 5062 B11R1.278 Cc1c(ccc(c1F)N[13CH3])O 7a_200000126710_200025704644 [1,1,0,0,0,0|2,0,0]=4 5063 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_100010390934_200025704644 [1,1,0,0,0,0|2,0,0]=4 5064 B11R1.278 Cc1c(ccc(c1F)S[13CH3])O 62a_200025704644_100010390934 [1,1,0,0,0,0|2,0,0]=4 5065 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,1,0,0,0,0|1,0,0]=3 5066 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|1,0,0]=3 5067 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|1,0,0]=3 5068 B11R1.278 O=Cc1ccc(c(c1O)F)F 271570a_203496583355_100015087033 [1,1,0,0,0,0|2,0,0]=4 5069 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|1,0,0]=3 5070 B11R1.279 C=Cc1cc(c(cn1)CO)C 271570a_100011290941_100010277336 [1,1,0,0,0,0|2,0,0]=4 5071 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,1,0,0,0,0|2,0,0]=4 5072 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|2,0,0]=4 5073 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|2,0,0]=4 5074 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [1,1,0,0,0,0|2,0,0]=4 5075 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|1,0,1]=4 5076 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,1,0,0,0,0|2,0,0]=4 5077 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,1,0,0,0,0|2,0,0]=4 5078 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|1,0,0]=3 5079 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,1,0,0,0,0|2,0,0]=4 5080 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [1,1,0,0,0,0|2,0,0]=4 5081 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|1,0,0]=3 5082 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|2,0,0]=4 5083 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|2,0,0]=4 5084 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|2,0,0]=4 5085 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|2,0,0]=4 5086 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|2,0,0]=4 5087 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [1,1,0,0,0,0|2,0,0]=4 5088 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|1,0,1]=4 5089 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|1,0,0]=3 5090 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|1,0,0]=3 5091 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,1,0,0,0,0|2,0,0]=4 5092 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|1,0,0]=3 5093 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|2,0,0]=4 5094 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|1,0,0]=3 5095 B11R1.279 C=Cc1ccc(nc1C)C=O 271570a_100011290941_100010238520 [1,1,0,0,0,0|2,0,0]=4 5096 B11R1.279 C=Cc1cnc(c(c1)C)CO 271570a_100011290941_100010116297 [1,1,0,0,0,0|2,0,0]=4 5097 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,1,0,0,0,0|2,0,0]=4 5098 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,1,0,0,0,0|2,0,0]=4 5099 B11R1.279 C=Cc1cnc(cc1C)C=O 271570a_100011290941_100009814806 [1,1,0,0,0,0|2,0,0]=4 5100 B11R1.279 C=Cc1ncc(cc1C)C=O 271570a_100011290941_100000070293 [1,1,0,0,0,0|2,0,0]=4 5101 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|1,0,1]=4 5102 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|2,0,0]=4 5103 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 5104 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 5105 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 5106 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|2,0,0]=4 5107 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 5108 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|1,0,0]=3 5109 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|2,0,0]=4 5110 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|2,0,0]=4 5111 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|2,0,0]=4 5112 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|2,0,0]=4 5113 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|2,0,0]=4 5114 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|2,0,0]=4 5115 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|2,0,0]=4 5116 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|2,0,0]=4 5117 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 5118 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 5119 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|0,0,2]=4 5120 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|0,0,2]=4 5121 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 5122 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 5123 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 5124 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|2,0,0]=4 5125 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|2,0,0]=4 5126 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|2,0,0]=4 5127 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|2,0,0]=4 5128 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|2,0,0]=4 5129 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|2,0,0]=4 5130 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 5131 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|0,0,0]=2 5132 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,1]=4 5133 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|0,0,2]=4 5134 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 5135 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|2,0,0]=4 5136 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|2,0,0]=4 5137 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|1,0,0]=3 5138 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|1,0,0]=3 5139 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|1,0,0]=3 5140 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|2,0,0]=4 5141 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|2,0,0]=4 5142 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|2,0,0]=4 5143 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|2,0,0]=4 5144 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|0,1,0]=3 5145 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|0,1,0]=3 5146 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|1,1,0]=4 5147 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|1,1,0]=4 5148 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|0,1,0]=3 5149 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|0,1,0]=3 5150 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [1,1,0,0,0,0|1,1,0]=4 5151 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [1,1,0,0,0,0|1,1,0]=4 5152 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [1,1,0,0,0,0|1,1,0]=4 5153 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [1,1,0,0,0,0|1,1,0]=4 5154 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [1,1,0,0,0,0|1,1,0]=4 5155 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [1,1,0,0,0,0|1,1,0]=4 5156 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|2,0,0]=4 5157 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|2,0,0]=4 5158 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|2,0,0]=4 5159 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 5160 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 5161 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|0,0,2]=4 5162 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|0,0,2]=4 5163 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|0,1,0]=3 5164 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|0,1,0]=3 5165 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [1,1,0,0,0,0|1,1,0]=4 5166 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [1,1,0,0,0,0|1,1,0]=4 5167 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [1,1,0,0,0,0|1,1,0]=4 5168 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [1,1,0,0,0,0|1,1,0]=4 5169 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [1,1,0,0,0,0|1,1,0]=4 5170 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [1,1,0,0,0,0|1,1,0]=4 5171 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|1,0,1]=4 5172 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|1,0,0]=3 5173 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|0,0,1]=3 5174 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|0,0,2]=4 5175 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|2,0,0]=4 5176 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|2,0,0]=4 5177 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|1,1,0]=4 5178 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|1,1,0]=4 5179 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|0,1,0]=3 5180 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|0,1,0]=3 5181 B13R1.13 C=C(C)c1cc(ccc1Br)C(=O)C 271570a_100000694244_100010146556 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)C 271570a_100000694244_100011934287 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)N 271570a_100000694244_100000186401 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)C 271570a_100000694244_100000239719 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)N 271570a_100000694244_100011202321 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.13 C=C(C)c1cc(ccc1N)C(=O)C 271570a_100000694244_100012029215 [0,2,0,0,0,0|2,0,0]=4 5187 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [0,2,0,0,0,0|1,0,0]=3 5188 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,2,0,0,0,0|2,0,0]=4 5189 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)O 271570a_100000694244_100000691460 [0,2,0,0,0,0|2,0,0]=4 5190 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,2,0,0,0,0|2,0,0]=4 5191 B13R1.13 CC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_200000210301 [0,2,0,0,0,0|2,0,0]=4 5192 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [0,2,0,0,0,0|2,0,0]=4 5193 B13R1.13 CC(C)c1cc(ccc1Br)C(=O)[13CH3] 1458a_100010202910_200025704644 [0,2,0,0,0,0|2,0,0]=4 5194 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,2,0,0,0,0|1,0,1]=4 5197 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210202 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210202 [0,2,0,0,0,0|2,0,0]=4 5200 B13R1.49 CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210202 [0,2,0,0,0,0|2,0,0]=4 5201 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,2,0,0,0,0|1,0,0]=3 5202 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,2,0,0,0,0|1,0,0]=3 5203 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,2,0,0,0,0|1,0,0]=3 5204 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,2,0,0,0,0|1,0,0]=3 5205 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,2,0,0,0,0|1,0,0]=3 5206 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,2,0,0,0,0|0,0,0]=2 5207 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_100011216493_200000210301 [0,2,0,0,0,0|1,1,0]=4 5208 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011216493 [0,2,0,0,0,0|1,1,0]=4 5209 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011216493_200025704644 [0,2,0,0,0,0|1,1,0]=4 5210 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011216493 [0,2,0,0,0,0|1,1,0]=4 5211 B13R1.49 CCc1cc(ccc1Br)C(=O)CF 1458a_100010152358_100015361967 [0,2,0,0,0,0|2,0,0]=4 5212 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 11a_106832991635_100010152358 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 1626a_100102657272_100010152358 [0,2,0,0,0,0|2,0,0]=4 5214 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 240690a_100102657272_100010152358 [0,2,0,0,0,0|2,0,0]=4 5215 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 527a_100102657272_100010152358 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.49 CCc1cc(ccc1Cl)C(=O)CF 1458a_100000102533_100015361967 [0,2,0,0,0,0|2,0,0]=4 5217 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 11a_106832991635_100000102533 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_100000102533 [0,2,0,0,0,0|2,0,0]=4 5219 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_100000102533 [0,2,0,0,0,0|2,0,0]=4 5220 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 527a_100102657272_100000102533 [0,2,0,0,0,0|2,0,0]=4 5221 B13R1.49 CCc1cc(ccc1F)C(=O)CF 1458a_100009883079_100015361967 [0,2,0,0,0,0|2,0,0]=4 5222 B13R1.49 CCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009883079 [0,2,0,0,0,0|2,0,0]=4 5223 B13R1.49 CCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009883079 [0,2,0,0,0,0|2,0,0]=4 5224 B13R1.49 CCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009883079 [0,2,0,0,0,0|2,0,0]=4 5225 B13R1.49 CCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009883079 [0,2,0,0,0,0|2,0,0]=4 5226 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [0,2,0,0,0,0|2,0,0]=4 5227 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [0,2,0,0,0,0|2,0,0]=4 5228 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [0,2,0,0,0,0|2,0,0]=4 5229 B13R1.49 CNC(=O)c1ccc(c(c1)NC)Cl 34a_100000740709_200000210301 [0,2,0,0,0,0|2,0,0]=4 5230 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359898 [0,2,0,0,0,0|2,0,0]=4 5231 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 34a_100011295210_200000210301 [0,2,0,0,0,0|2,0,0]=4 5232 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [0,2,0,0,0,0|2,0,0]=4 5233 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [0,2,0,0,0,0|2,0,0]=4 5234 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [0,2,0,0,0,0|2,0,0]=4 5235 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])Cl 34a_100000740709_200025704644 [0,2,0,0,0,0|2,0,0]=4 5236 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])F 34a_100011295210_200025704644 [0,2,0,0,0,0|2,0,0]=4 5237 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,2,0,0,0,0|1,0,0]=3 5238 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,2,0,0,0,0|1,0,0]=3 5239 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,2,0,0,0,0|1,0,0]=3 5240 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,2,0,0,0,0|1,0,0]=3 5241 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,2,0,0,0,0|1,0,0]=3 5242 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,2,0,0,0,0|1,0,0]=3 5243 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,2,0,0,0,0|1,0,0]=3 5244 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,2,0,0,0,0|1,0,0]=3 5245 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,2,0,0,0,0|1,0,0]=3 5246 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,2,0,0,0,0|1,0,0]=3 5247 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,2,0,0,0,0|1,0,0]=3 5248 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,2,0,0,0,0|1,0,0]=3 5249 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,2,0,0,0,0|1,0,0]=3 5250 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,2,0,0,0,0|1,0,0]=3 5253 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,2,0,0,0,0|1,0,0]=3 5254 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,2,0,0,0,0|1,0,0]=3 5255 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,2,0,0,0,0|1,0,0]=3 5256 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,2,0,0,0,0|1,0,0]=3 5257 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,2,0,0,0,0|0,0,0]=2 5258 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359898 [0,2,0,0,0,0|1,1,0]=4 5259 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200012359898_200000210301 [0,2,0,0,0,0|1,1,0]=4 5260 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359898_200025704644 [0,2,0,0,0,0|1,1,0]=4 5261 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359898 [0,2,0,0,0,0|1,1,0]=4 5262 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,2,0,0,0,0|2,0,0]=4 5264 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,2,0,0,0,0|2,0,0]=4 5265 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,2,0,0,0,0|2,0,0]=4 5266 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,2,0,0,0,0|1,0,0]=3 5267 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,2,0,0,0,0|1,0,0]=3 5268 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,2,0,0,0,0|1,0,0]=3 5269 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,2,0,0,0,0|1,0,0]=3 5270 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,2,0,0,0,0|1,0,0]=3 5271 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,2,0,0,0,0|1,0,0]=3 5272 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,2,0,0,0,0|1,0,0]=3 5273 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,2,0,0,0,0|1,0,0]=3 5274 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,2,0,0,0,0|1,0,0]=3 5275 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,2,0,0,0,0|1,0,0]=3 5276 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,2,0,0,0,0|1,0,0]=3 5277 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,2,0,0,0,0|1,0,0]=3 5278 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,2,0,0,0,0|0,0,0]=2 5279 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,2,0,0,0,0|1,0,0]=3 5280 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,2,0,0,0,0|1,0,0]=3 5281 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,2,0,0,0,0|1,0,0]=3 5282 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,2,0,0,0,0|1,0,0]=3 5283 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,2,0,0,0,0|1,0,0]=3 5284 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,2,0,0,0,0|1,0,0]=3 5285 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,2,0,0,0,0|1,0,0]=3 5286 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,2,0,0,0,0|1,0,0]=3 5287 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,2,0,0,0,0|1,0,0]=3 5288 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,2,0,0,0,0|1,0,0]=3 5289 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,2,0,0,0,0|1,0,0]=3 5290 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,2,0,0,0,0|1,0,0]=3 5291 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,2,0,0,0,0|1,1,0]=4 5292 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,2,0,0,0,0|1,1,0]=4 5293 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,2,0,0,0,0|1,1,0]=4 5294 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,2,0,0,0,0|1,1,0]=4 5295 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,2,0,0,0,0|1,1,0]=4 5296 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,2,0,0,0,0|1,1,0]=4 5297 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,2,0,0,0,0|1,1,0]=4 5298 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,2,0,0,0,0|1,1,0]=4 5299 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,2,0,0,0,0|1,1,0]=4 5300 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,2,0,0,0,0|1,1,0]=4 5301 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,2,0,0,0,0|0,1,0]=3 5302 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,2,0,0,0,0|0,1,0]=3 5303 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,2,0,0,0,0|1,1,0]=4 5304 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,2,0,0,0,0|1,1,0]=4 5305 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,2,0,0,0,0|1,1,0]=4 5306 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,2,0,0,0,0|1,1,0]=4 5307 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,2,0,0,0,0|1,1,0]=4 5308 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,2,0,0,0,0|1,1,0]=4 5309 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,2,0,0,0,0|1,1,0]=4 5310 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,2,0,0,0,0|1,1,0]=4 5311 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,2,0,0,0,0|1,1,0]=4 5312 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,2,0,0,0,0|1,1,0]=4 5313 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,2,0,0,0,0|0,1,0]=3 5314 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,2,0,0,0,0|0,1,0]=3 5315 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,2,0,0,0,0|1,0,0]=3 5316 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,2,0,0,0,0|1,1,0]=4 5317 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,2,0,0,0,0|1,1,0]=4 5318 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,2,0,0,0,0|1,1,0]=4 5319 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,2,0,0,0,0|1,1,0]=4 5320 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,2,0,0,0,0|2,0,0]=4 5321 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,2,0,0,0,0|2,0,0]=4 5322 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,2,0,0,0,0|2,0,0]=4 5323 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,2,0,0,0,0|2,0,0]=4 5325 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,2,0,0,0,0|1,0,0]=3 5327 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,2,0,0,0,0|2,0,0]=4 5333 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,2,0,0,0,0|1,1,0]=4 5334 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,2,0,0,0,0|1,1,0]=4 5335 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,2,0,0,0,0|1,1,0]=4 5336 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,2,0,0,0,0|1,1,0]=4 5337 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,2,0,0,0,0|1,0,0]=3 5338 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,2,0,0,0,0|1,0,0]=3 5339 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,2,0,0,0,0|1,0,0]=3 5340 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,2,0,0,0,0|1,0,0]=3 5341 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,2,0,0,0,0|1,0,0]=3 5342 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,2,0,0,0,0|1,0,0]=3 5343 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,2,0,0,0,0|0,0,0]=2 5344 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_100000188075_200000210301 [0,2,0,0,0,0|1,1,0]=4 5345 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_200000210301_100000188075 [0,2,0,0,0,0|1,1,0]=4 5346 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200000210301 [0,2,0,0,0,0|1,1,0]=4 5347 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_200000210301_100000046573 [0,2,0,0,0,0|1,1,0]=4 5348 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_100000188075_200025704644 [0,2,0,0,0,0|1,1,0]=4 5349 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000188075 [0,2,0,0,0,0|1,1,0]=4 5350 B13R1.49 N#Cc1cc(ccc1O)C(=O)CF 1458a_100009875055_100015361967 [0,2,0,0,0,0|2,0,0]=4 5351 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,2,0,0,0,0|1,0,0]=3 5352 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200025704644 [0,2,0,0,0,0|1,1,0]=4 5353 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_200025704644_100000046573 [0,2,0,0,0,0|1,1,0]=4 5354 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 34a_100000186253_200000210301 [0,2,0,0,0,0|2,0,0]=4 5355 B13R1.50 CNc1cc(ccc1O)S(=O)(=O)C 7a_100000186253_200000210301 [0,2,0,0,0,0|2,0,0]=4 5356 B13R1.50 COc1cc(ccc1O)C(F)(F)F 271570a_203496583355_100010150383 [0,2,0,0,0,0|1,0,1]=4 5357 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 34a_100000186253_200025704644 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.50 CS(=O)(=O)c1ccc(c(c1)N[13CH3])O 7a_100000186253_200025704644 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.298 C=C(C)c1cc(c(c(c1)CC)O)C 271570a_100000694244_100010659108 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [0,2,0,0,0,0|2,0,0]=4 5361 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)F 271570a_100000694244_100011218012 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [0,2,0,0,0,0|2,0,0]=4 5364 B13R1.298 CNc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_200000210301 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [0,2,0,0,0,0|1,0,0]=3 5366 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [0,2,0,0,0,0|1,0,0]=3 5367 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200000210301 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200000210301 [0,2,0,0,0,0|2,0,0]=4 5369 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [0,2,0,0,0,0|1,0,0]=3 5370 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [0,2,0,0,0,0|1,0,0]=3 5371 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200000210301 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200000210301 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.298 COc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200000210301 [0,2,0,0,0,0|2,0,0]=4 5374 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,2,0,0,0,0|0,0,0]=2 5375 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,2,0,0,0,0|0,0,0]=2 5376 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,2,0,0,0,0|0,0,0]=2 5377 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,2,0,0,0,0|0,0,0]=2 5378 B13R1.298 [13CH3]Nc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_200025704644 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200025704644 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200025704644 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200025704644 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200025704644 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.298 [13CH3]Oc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200025704644 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.354 C=C(C)c1ccc(c(c1)CNC)O 271570a_100000694244_100011602694 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.354 C=C(C)c1ccc(c(c1)COC)Br 271570a_100000694244_202125822959 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.354 C=C(C)c1ccc(c(c1)COC)F 271570a_100000694244_100010140362 [0,2,0,0,0,0|2,0,0]=4 5387 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [0,2,0,0,0,0|2,0,0]=4 5388 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [0,2,0,0,0,0|2,0,0]=4 5389 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [0,2,0,0,0,0|2,0,0]=4 5390 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [0,2,0,0,0,0|1,0,1]=4 5391 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,2,0,0,0,0|0,1,0]=3 5392 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,2,0,0,0,0|1,0,0]=3 5393 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,2,0,0,0,0|1,0,0]=3 5394 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,2,0,0,0,0|1,0,0]=3 5395 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,2,0,0,0,0|1,0,0]=3 5396 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100010146556_100015361967 [0,2,0,0,0,0|1,1,0]=4 5397 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100010146556 [0,2,0,0,0,0|1,1,0]=4 5398 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100011934287_100015361967 [0,2,0,0,0,0|1,1,0]=4 5399 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100011934287 [0,2,0,0,0,0|1,1,0]=4 5400 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100000239719_100015361967 [0,2,0,0,0,0|1,1,0]=4 5401 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000239719 [0,2,0,0,0,0|1,1,0]=4 5402 B13R1.354 CC(=O)c1ccc(c(c1)SCF)N 62a_100012029215_100015361967 [0,2,0,0,0,0|1,1,0]=4 5403 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,2,0,0,0,0|0,1,0]=3 5404 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [0,2,0,0,0,0|2,0,0]=4 5405 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [0,2,0,0,0,0|2,0,0]=4 5406 B13R1.354 CC=Cc1cc(ccc1C)C(=O)N 271570a_100016259895_100000186401 [0,2,0,0,0,0|2,0,0]=4 5407 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [0,2,0,0,0,0|2,0,0]=4 5408 B13R1.354 CC=Cc1cc(ccc1F)C(=O)N 271570a_100016259895_100011202321 [0,2,0,0,0,0|2,0,0]=4 5409 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [0,2,0,0,0,0|2,0,0]=4 5410 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,2,0,0,0,0|1,0,0]=3 5411 B13R1.354 CCCc1cc(ccc1F)C(=O)C 1458a_100009923992_200000210301 [0,2,0,0,0,0|2,0,0]=4 5412 B13R1.354 CCCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009923992_200025704644 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.354 CCNc1cc(ccc1C)C(=O)N 34a_100000188646_100000210202 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.354 CCNc1cc(ccc1C)C(=O)N 7a_100000188646_100000210202 [0,2,0,0,0,0|2,0,0]=4 5415 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210202 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.354 CCNc1cc(ccc1F)C(=O)N 34a_100000740466_100000210202 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.354 CCNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_100000210202 [0,2,0,0,0,0|2,0,0]=4 5418 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,2,0,0,0,0|1,0,0]=3 5419 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,2,0,0,0,0|1,0,0]=3 5420 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210202 [0,2,0,0,0,0|2,0,0]=4 5421 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210202 [0,2,0,0,0,0|2,0,0]=4 5422 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,2,0,0,0,0|1,0,0]=3 5423 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,2,0,0,0,0|1,0,0]=3 5424 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,2,0,0,0,0|1,0,0]=3 5425 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,2,0,0,0,0|1,0,0]=3 5426 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100000210202 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_100000210202 [0,2,0,0,0,0|2,0,0]=4 5428 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,2,0,0,0,0|1,0,0]=3 5429 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,2,0,0,0,0|1,0,0]=3 5430 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210202 [0,2,0,0,0,0|2,0,0]=4 5431 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210202 [0,2,0,0,0,0|2,0,0]=4 5432 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,2,0,0,0,0|1,0,0]=3 5433 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,2,0,0,0,0|1,0,0]=3 5434 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210202 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210202 [0,2,0,0,0,0|2,0,0]=4 5436 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210202 [0,2,0,0,0,0|2,0,0]=4 5437 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210202 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,2,0,0,0,0|1,0,0]=3 5439 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,2,0,0,0,0|1,0,0]=3 5440 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210202 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210202 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,2,0,0,0,0|0,0,0]=2 5443 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,2,0,0,0,0|0,0,0]=2 5444 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100000210202_100010146556 [0,2,0,0,0,0|1,1,0]=4 5445 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210202 [0,2,0,0,0,0|1,1,0]=4 5446 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100000210202_100011934287 [0,2,0,0,0,0|1,1,0]=4 5447 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210202 [0,2,0,0,0,0|1,1,0]=4 5448 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000210202 [0,2,0,0,0,0|1,1,0]=4 5449 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000210202_100000186401 [0,2,0,0,0,0|1,1,0]=4 5450 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000210202_100000239719 [0,2,0,0,0,0|1,1,0]=4 5451 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210202 [0,2,0,0,0,0|1,1,0]=4 5452 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100000210202_100011202321 [0,2,0,0,0,0|1,1,0]=4 5453 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000210202 [0,2,0,0,0,0|1,1,0]=4 5454 B13R1.354 CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210202 [0,2,0,0,0,0|1,1,0]=4 5455 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,2,0,0,0,0|0,1,0]=3 5456 B13R1.354 CNCc1cc(ccc1Br)C(=O)N 26a_100102657272_100012344895 [0,2,0,0,0,0|2,0,0]=4 5457 B13R1.354 CNCc1cc(ccc1F)C(=O)C 26a_100102657272_100000117923 [0,2,0,0,0,0|2,0,0]=4 5458 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,2,0,0,0,0|1,0,0]=3 5459 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 2230a_106832991635_200009813932 [0,2,0,0,0,0|2,0,0]=4 5460 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 34a_100102657272_200009813932 [0,2,0,0,0,0|2,0,0]=4 5461 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 7a_106832991635_200009813932 [0,2,0,0,0,0|2,0,0]=4 5462 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 34a_100138415774_100010254470 [0,2,0,0,0,0|2,0,0]=4 5463 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200000210301 [0,2,0,0,0,0|2,0,0]=4 5464 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100000075575_200000210301 [0,2,0,0,0,0|2,0,0]=4 5465 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100138415774_100010238791 [0,2,0,0,0,0|2,0,0]=4 5466 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 7a_100000075575_200000210301 [0,2,0,0,0,0|2,0,0]=4 5467 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200000210301 [0,2,0,0,0,0|2,0,0]=4 5468 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100138415774_100011273546 [0,2,0,0,0,0|2,0,0]=4 5469 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200000210301 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200000210301 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100138415774_100012145679 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200000210301 [0,2,0,0,0,0|2,0,0]=4 5473 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,2,0,0,0,0|0,0,0]=2 5474 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,2,0,0,0,0|1,0,0]=3 5475 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,2,0,0,0,0|0,1,0]=3 5476 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 34a_100000075575_200025704644 [0,2,0,0,0,0|2,0,0]=4 5477 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 7a_100000075575_200025704644 [0,2,0,0,0,0|2,0,0]=4 5478 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 34a_100000188646_100015361967 [0,2,0,0,0,0|2,0,0]=4 5479 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 7a_100000188646_100015361967 [0,2,0,0,0,0|2,0,0]=4 5480 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000740739_100015361967 [0,2,0,0,0,0|2,0,0]=4 5481 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000740739_100015361967 [0,2,0,0,0,0|2,0,0]=4 5482 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100000186401_100015361967 [0,2,0,0,0,0|1,1,0]=4 5483 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100015361967_100000186401 [0,2,0,0,0,0|1,1,0]=4 5484 B13R1.354 NC(=O)c1ccc(c(c1)NCF)Cl 34a_100000736751_100015361967 [0,2,0,0,0,0|2,0,0]=4 5485 B13R1.354 NC(=O)c1ccc(c(c1)NCF)F 34a_100000740466_100015361967 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,2,0,0,0,0|1,0,0]=3 5487 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,2,0,0,0,0|1,0,0]=3 5488 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,2,0,0,0,0|1,0,0]=3 5489 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,2,0,0,0,0|1,0,0]=3 5490 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100011202321_100015361967 [0,2,0,0,0,0|1,1,0]=4 5491 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011202321 [0,2,0,0,0,0|1,1,0]=4 5492 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000210499_100015361967 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000210499_100015361967 [0,2,0,0,0,0|2,0,0]=4 5494 B13R1.354 O=[N+]([O-])c1ccc(c(c1)NCF)O 7a_100000181223_100015361967 [0,2,0,0,0,0|2,0,0]=4 5495 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 34a_100000691124_100015361967 [0,2,0,0,0,0|2,0,0]=4 5496 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 7a_100000691124_100015361967 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 34a_100000188705_100015361967 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 7a_100000188705_100015361967 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 34a_100011294461_100015361967 [0,2,0,0,0,0|2,0,0]=4 5500 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 7a_100011294461_100015361967 [0,2,0,0,0,0|2,0,0]=4 5501 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 34a_100000072739_100015361967 [0,2,0,0,0,0|2,0,0]=4 5502 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 7a_100000072739_100015361967 [0,2,0,0,0,0|2,0,0]=4 5503 B13R1.354 [13CH3]OCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200025704644 [0,2,0,0,0,0|2,0,0]=4 5504 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200025704644 [0,2,0,0,0,0|2,0,0]=4 5505 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200025704644 [0,2,0,0,0,0|2,0,0]=4 5506 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200025704644 [0,2,0,0,0,0|2,0,0]=4 5507 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200025704644 [0,2,0,0,0,0|2,0,0]=4 5508 B13R1.651 C=C(C)c1cc(c(cc1Br)Br)OC 271570a_100000694244_200014006352 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.651 C=C(C)c1cc(c(cc1C)F)C=O 271570a_100000694244_100010138641 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.651 C=C(C)c1cc(c(cc1C)F)OC 271570a_100000694244_100011009880 [0,2,0,0,0,0|2,0,0]=4 5511 B13R1.651 C=C(C)c1cc(c(cc1C)N)OC 271570a_100000694244_100010141321 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.651 C=C(C)c1cc(c(cc1F)Cl)OC 271570a_100000694244_100010739614 [0,2,0,0,0,0|2,0,0]=4 5513 B13R1.651 C=C(C)c1cc(c(cc1F)F)C=O 271570a_100000694244_100009814802 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.651 C=C(C)c1cc(c(cc1F)F)OC 271570a_100000694244_200015541288 [0,2,0,0,0,0|2,0,0]=4 5515 B13R1.651 C=C(C)c1cc(c(cc1F)N)C=O 271570a_100000694244_200010571964 [0,2,0,0,0,0|2,0,0]=4 5516 B13R1.651 C=C(C)c1cc(c(cc1F)N)OC 271570a_100000694244_100012766639 [0,2,0,0,0,0|2,0,0]=4 5517 B13R1.651 C=C(C)c1cc(c(cc1F)O)C=O 271570a_100000694244_100010175118 [0,2,0,0,0,0|2,0,0]=4 5518 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,2,0,0,0,0|1,0,0]=3 5519 B13R1.651 C=C(C)c1cc(c(cc1N)C)OC 271570a_100000694244_200010584344 [0,2,0,0,0,0|2,0,0]=4 5520 B13R1.651 C=C(C)c1cc(c(cc1N)F)OC 271570a_100000694244_100010365326 [0,2,0,0,0,0|2,0,0]=4 5521 B13R1.651 C=C(C)c1cc(c(cc1O)O)C=O 271570a_100000694244_200010132312 [0,2,0,0,0,0|1,0,0]=3 5522 B13R1.651 C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100011290941_200010233951 [0,2,0,0,0,0|2,0,0]=4 5523 B13R1.651 C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100011290941_100000691652 [0,2,0,0,0,0|2,0,0]=4 5524 B13R1.651 CC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100009817148_200025704644 [0,2,0,0,0,0|1,1,0]=4 5525 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,2,0,0,0,0|1,1,0]=4 5526 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,2,0,0,0,0|1,1,0]=4 5527 B13R1.651 CNc1cc(c(cc1F)F)C(=O)N 27a_100102657272_100015235948 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.651 CNc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.651 COc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100013414156_200000210301 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.651 COc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200000210301 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200000210301 [0,2,0,0,0,0|2,0,0]=4 5532 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200000210301 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [0,2,0,0,0,0|1,0,0]=3 5534 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [0,2,0,0,0,0|1,0,0]=3 5535 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 34a_100000086363_200000210301 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100000086363_200000210301 [0,2,0,0,0,0|2,0,0]=4 5537 B13R1.651 COc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200000210301 [0,2,0,0,0,0|2,0,0]=4 5538 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200000210301 [0,2,0,0,0,0|2,0,0]=4 5539 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200000210301 [0,2,0,0,0,0|2,0,0]=4 5540 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [0,2,0,0,0,0|1,0,0]=3 5541 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [0,2,0,0,0,0|1,0,0]=3 5542 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200000210301 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200000210301 [0,2,0,0,0,0|2,0,0]=4 5544 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100010732485_200000210301 [0,2,0,0,0,0|2,0,0]=4 5545 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100010732485_200000210301 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200000210301 [0,2,0,0,0,0|2,0,0]=4 5547 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200000210301 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200000210301 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,2,0,0,0,0|1,1,0]=4 5550 B13R1.651 CSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_200000210301 [0,2,0,0,0,0|1,1,0]=4 5551 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200000210301 [0,2,0,0,0,0|1,1,0]=4 5552 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_200000210301_100015235948 [0,2,0,0,0,0|1,1,0]=4 5553 B13R1.651 CSc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200000210301 [0,2,0,0,0,0|1,1,0]=4 5554 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,2,0,0,0,0|1,1,0]=4 5555 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 34a_100000086363_200025704644 [0,2,0,0,0,0|2,0,0]=4 5556 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 7a_100000086363_200025704644 [0,2,0,0,0,0|2,0,0]=4 5557 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])Br 7a_100013414156_200025704644 [0,2,0,0,0,0|2,0,0]=4 5558 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 34a_100010732485_200025704644 [0,2,0,0,0,0|2,0,0]=4 5559 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 7a_100010732485_200025704644 [0,2,0,0,0,0|2,0,0]=4 5560 B13R1.651 [13CH3]Nc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 5561 B13R1.651 [13CH3]Oc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200025704644 [0,2,0,0,0,0|2,0,0]=4 5562 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200025704644 [0,2,0,0,0,0|2,0,0]=4 5563 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200025704644 [0,2,0,0,0,0|2,0,0]=4 5564 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200025704644 [0,2,0,0,0,0|2,0,0]=4 5565 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200025704644 [0,2,0,0,0,0|2,0,0]=4 5566 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200025704644 [0,2,0,0,0,0|2,0,0]=4 5567 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200025704644 [0,2,0,0,0,0|2,0,0]=4 5568 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200025704644 [0,2,0,0,0,0|2,0,0]=4 5569 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200025704644 [0,2,0,0,0,0|2,0,0]=4 5570 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200025704644 [0,2,0,0,0,0|2,0,0]=4 5571 B13R1.651 [13CH3]Oc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200025704644 [0,2,0,0,0,0|2,0,0]=4 5572 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200025704644 [0,2,0,0,0,0|1,1,0]=4 5573 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_200025704644_100015235948 [0,2,0,0,0,0|1,1,0]=4 5574 B13R1.651 [13CH3]Sc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200025704644 [0,2,0,0,0,0|1,1,0]=4 5575 B13R1.3091 C=C(C)c1cc(c(cn1)CO)OC 271570a_100000694244_100010714672 [0,2,0,0,0,0|2,0,0]=4 5576 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,2,0,0,0,0|2,0,0]=4 5577 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [0,2,0,0,0,0|2,0,0]=4 5578 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,2,0,0,0,0|1,0,1]=4 5579 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,2,0,0,0,0|2,0,0]=4 5580 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,2,0,0,0,0|1,0,0]=3 5581 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|1,0,0]=3 5582 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,2,0,0,0,0|1,1,0]=4 5583 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,2,0,0,0,0|1,1,0]=4 5584 B13R1.3091 C=C(C)c1ccc(c(n1)OC)CO 271570a_100000694244_100010988397 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [0,2,0,0,0,0|2,0,0]=4 5586 B13R1.3091 C=C(C)c1cnc(c(c1)OC)CO 271570a_100000694244_200010246159 [0,2,0,0,0,0|2,0,0]=4 5587 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,2,0,0,0,0|1,0,1]=4 5589 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,2,0,0,0,0|1,0,0]=3 5590 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,2,0,0,0,0|1,0,0]=3 5591 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,2,0,0,0,0|2,0,0]=4 5594 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,2,0,0,0,0|1,0,0]=3 5595 B13R1.3091 CNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_200000210301 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,2,0,0,0,0|1,0,0]=3 5597 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,2,0,0,0,0|1,0,0]=3 5598 B13R1.3091 CNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_200000210301 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,2,0,0,0,0|1,0,0]=3 5600 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,2,0,0,0,0|1,0,0]=3 5601 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200000210301 [0,2,0,0,0,0|2,0,0]=4 5602 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200000210301 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,2,0,0,0,0|1,0,0]=3 5604 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,2,0,0,0,0|1,0,0]=3 5605 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,2,0,0,0,0|1,0,0]=3 5606 B13R1.3091 COc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000211086_200025704644 [0,2,0,0,0,0|2,0,0]=4 5607 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|0,0,0]=2 5608 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|0,0,0]=2 5609 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|0,0,2]=4 5610 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|0,0,2]=4 5611 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|1,0,0]=3 5612 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|1,0,0]=3 5613 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,2,0,0,0,0|0,1,0]=3 5614 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,2,0,0,0,0|0,1,0]=3 5615 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,2,0,0,0,0|0,1,0]=3 5616 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,2,0,0,0,0|0,1,0]=3 5617 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,2,0,0,0,0|2,0,0]=4 5619 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,2,0,0,0,0|2,0,0]=4 5621 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,2,0,0,0,0|2,0,0]=4 5622 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,2,0,0,0,0|1,0,0]=3 5623 B13R1.3091 COc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000738153_200025704644 [0,2,0,0,0,0|2,0,0]=4 5624 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|0,0,0]=2 5625 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|0,0,0]=2 5626 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|0,0,0]=2 5627 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|0,0,0]=2 5628 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|0,0,0]=2 5629 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|0,0,0]=2 5630 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|0,0,2]=4 5631 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|0,0,2]=4 5632 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|1,0,0]=3 5633 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|1,0,0]=3 5634 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|1,0,0]=3 5635 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|1,0,0]=3 5636 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|0,0,0]=2 5637 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|0,0,0]=2 5638 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|1,0,0]=3 5639 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|1,0,0]=3 5640 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,2,0,0,0,0|0,1,0]=3 5641 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,2,0,0,0,0|0,1,0]=3 5642 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,2,0,0,0,0|0,1,0]=3 5643 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,2,0,0,0,0|0,1,0]=3 5644 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200025704644 [0,2,0,0,0,0|2,0,0]=4 5645 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200025704644 [0,2,0,0,0,0|2,0,0]=4 5646 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,2,0,0,0,0|1,0,0]=3 5647 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,2,0,0,0,0|1,0,0]=3 5648 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)Cl 271570a_100000694244_200135222481 [0,2,0,0,0,0|2,0,0]=4 5649 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)N 271570a_100000694244_100010734149 [0,2,0,0,0,0|2,0,0]=4 5650 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100010179980_200025704644 [0,2,0,0,0,0|1,1,0]=4 5651 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100010179980 [0,2,0,0,0,0|1,1,0]=4 5652 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 34a_100000737156_200000210301 [0,2,0,0,0,0|2,0,0]=4 5653 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 7a_100000737156_200000210301 [0,2,0,0,0,0|2,0,0]=4 5654 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 34a_100000117122_200000210301 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 7a_100000117122_200000210301 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [0,2,0,0,0,0|1,0,1]=4 5657 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,2,0,0,0,0|1,0,0]=3 5658 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,2,0,0,0,0|1,0,0]=3 5659 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,2,0,0,0,0|1,0,0]=3 5660 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,2,0,0,0,0|1,0,0]=3 5661 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,2,0,0,0,0|1,0,0]=3 5662 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,2,0,0,0,0|1,0,0]=3 5663 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200000210301 [0,2,0,0,0,0|2,0,0]=4 5664 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200000210301 [0,2,0,0,0,0|2,0,0]=4 5665 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)Cl 1458a_200134766191_200000210301 [0,2,0,0,0,0|1,1,0]=4 5666 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_100010179980_200000210301 [0,2,0,0,0,0|1,1,0]=4 5667 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_200000210301_100010179980 [0,2,0,0,0,0|1,1,0]=4 5668 B13R1.3230 CSc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_200134766191_200025704644 [0,2,0,0,0,0|1,1,0]=4 5669 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 34a_100000737156_200025704644 [0,2,0,0,0,0|2,0,0]=4 5670 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 7a_100000737156_200025704644 [0,2,0,0,0,0|2,0,0]=4 5671 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 34a_100000117122_200025704644 [0,2,0,0,0,0|2,0,0]=4 5672 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 7a_100000117122_200025704644 [0,2,0,0,0,0|2,0,0]=4 5673 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200025704644 [0,2,0,0,0,0|2,0,0]=4 5674 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200025704644 [0,2,0,0,0,0|2,0,0]=4 5675 B13R1.99 C=C(C)c1ccc(cc1OC)C=O 271570a_100000694244_100010244714 [0,2,0,0,0,0|1,0,0]=3 5676 B13R1.99 C=Cc1ccc(c(c1)CC)B(O)O 271570a_100011290941_200010732553 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.99 C=Cc1ccc(c(c1)OC)B(O)O 271570a_100011290941_100010245881 [0,2,0,0,0,0|1,0,0]=3 5678 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,2,0,0,0,0|1,0,1]=4 5679 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [0,2,0,0,0,0|1,0,1]=4 5680 B13R1.99 C=Cc1ccc(c(c1)OC)C(F)F 271570a_100011290941_100010146106 [0,2,0,0,0,0|2,0,0]=4 5681 B13R1.99 C=Cc1ccc(c(n1)OC)B(O)O 271570a_100011290941_100010143858 [0,2,0,0,0,0|2,0,0]=4 5682 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200011298039_200025704644 [0,2,0,0,0,0|1,1,0]=4 5683 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200025704644_200011298039 [0,2,0,0,0,0|1,1,0]=4 5684 B13R1.99 COc1cc(ccc1B(O)O)SC 62a_100010245881_200000210301 [0,2,0,0,0,0|2,0,0]=4 5685 B13R1.99 COc1cc(ccc1B(O)O)S[13CH3] 62a_100010245881_200025704644 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200000210301_200011298039 [0,2,0,0,0,0|1,1,0]=4 5687 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200011298039_200000210301 [0,2,0,0,0,0|1,1,0]=4 5688 B13R1.355 C=C=Cc1cc(ccc1OC)C=O 271570a_100015277604_100000173361 [0,2,0,0,0,0|1,0,1]=4 5689 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [0,2,0,0,0,0|2,0,0]=4 5691 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [0,2,0,0,0,0|1,0,0]=3 5692 B13R1.355 C=Cc1ccc(c(c1)OCC)C#N 271570a_100011290941_100013120067 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [0,2,0,0,0,0|1,0,0]=3 5694 B13R1.355 C=Cc1ccc(cc1OCC)C=O 271570a_100011290941_200010381951 [0,2,0,0,0,0|1,0,0]=3 5695 B13R1.355 CC=Cc1cc(ccc1C#N)C=O 271570a_100016259895_100012355660 [0,2,0,0,0,0|2,0,0]=4 5696 B13R1.355 CC=Cc1cc(ccc1C=O)C=O 271570a_100016259895_100015597013 [0,2,0,0,0,0|1,0,1]=4 5697 B13R1.355 CC=Cc1cc(ccc1NC)C=O 271570a_100016259895_200010290468 [0,2,0,0,0,0|2,0,0]=4 5698 B13R1.355 CC=Cc1cc(ccc1OC)C=O 271570a_100016259895_100000173361 [0,2,0,0,0,0|1,0,0]=3 5699 B13R1.355 CC=Cc1cc(cnc1OC)C=O 271570a_100016259895_200010064893 [0,2,0,0,0,0|2,0,0]=4 5700 B13R1.355 CC=Cc1cc(ncc1OC)C=O 271570a_100016259895_100010893078 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.355 CC=Cc1nc(ccc1OC)C=O 271570a_100016259895_100010174741 [0,2,0,0,0,0|2,0,0]=4 5702 B13R1.355 CCOc1cc(ccc1CO)CO 34a_200010669990_100000210202 [0,2,0,0,0,0|0,0,2]=4 5703 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [0,2,0,0,0,0|1,0,1]=4 5704 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [0,2,0,0,0,0|1,0,1]=4 5705 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [0,2,0,0,0,0|1,0,1]=4 5706 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [0,2,0,0,0,0|1,0,1]=4 5707 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [0,2,0,0,0,0|1,0,1]=4 5708 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [0,2,0,0,0,0|1,0,1]=4 5709 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [0,2,0,0,0,0|1,0,1]=4 5710 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [0,2,0,0,0,0|1,0,1]=4 5711 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [0,2,0,0,0,0|0,0,2]=4 5712 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [0,2,0,0,0,0|0,0,2]=4 5713 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,2,0,0,0,0|2,0,0]=4 5714 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [0,2,0,0,0,0|1,0,1]=4 5715 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [0,2,0,0,0,0|1,0,1]=4 5716 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [0,2,0,0,0,0|1,0,1]=4 5717 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [0,2,0,0,0,0|0,0,2]=4 5718 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200000210301_200010381951 [0,2,0,0,0,0|0,1,0]=3 5719 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200010381951_200000210301 [0,2,0,0,0,0|0,1,0]=3 5720 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200010381951_200025704644 [0,2,0,0,0,0|0,1,0]=3 5721 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200025704644_200010381951 [0,2,0,0,0,0|0,1,0]=3 5722 B13R1.355 CCSc1cc(ccc1C#N)C=O 62a_100000210202_100012355660 [0,2,0,0,0,0|1,1,0]=4 5723 B13R1.355 CCSc1cc(ccc1C=O)C=O 62a_100000210202_100015597013 [0,2,0,0,0,0|0,1,1]=4 5724 B13R1.355 CCSc1cc(ccc1C=O)C=O 62a_100015597013_100000210202 [0,2,0,0,0,0|0,1,1]=4 5725 B13R1.355 CCSc1cc(ccc1NC)C=O 62a_100000210202_200010290468 [0,2,0,0,0,0|1,1,0]=4 5726 B13R1.355 CCSc1cc(ccc1NC)C=O 62a_200010290468_100000210202 [0,2,0,0,0,0|1,1,0]=4 5727 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [0,2,0,0,0,0|0,1,0]=3 5728 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [0,2,0,0,0,0|0,1,0]=3 5729 B13R1.355 CCSc1cc(cnc1OC)C=O 62a_100000210202_200010064893 [0,2,0,0,0,0|1,1,0]=4 5730 B13R1.355 CCSc1cc(cnc1OC)C=O 62a_200010064893_100000210202 [0,2,0,0,0,0|1,1,0]=4 5731 B13R1.355 CCSc1cc(ncc1OC)C=O 62a_100000210202_100010893078 [0,2,0,0,0,0|1,1,0]=4 5732 B13R1.355 CCSc1cc(ncc1OC)C=O 62a_100010893078_100000210202 [0,2,0,0,0,0|1,1,0]=4 5733 B13R1.355 CCSc1nc(ccc1OC)C=O 62a_100000210202_100010174741 [0,2,0,0,0,0|1,1,0]=4 5734 B13R1.355 CCSc1nc(ccc1OC)C=O 62a_100010174741_100000210202 [0,2,0,0,0,0|1,1,0]=4 5735 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [0,2,0,0,0,0|1,0,1]=4 5736 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [0,2,0,0,0,0|1,0,1]=4 5737 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [0,2,0,0,0,0|1,0,0]=3 5738 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [0,2,0,0,0,0|1,0,0]=3 5739 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [0,2,0,0,0,0|1,0,0]=3 5740 B13R1.355 CNc1ccc(cc1SCF)C=O 62a_100015361967_200010290468 [0,2,0,0,0,0|1,1,0]=4 5741 B13R1.355 CNc1ccc(cc1SCF)C=O 62a_200010290468_100015361967 [0,2,0,0,0,0|1,1,0]=4 5742 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [0,2,0,0,0,0|0,0,0]=2 5743 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [0,2,0,0,0,0|2,0,0]=4 5744 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [0,2,0,0,0,0|2,0,0]=4 5745 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [0,2,0,0,0,0|2,0,0]=4 5746 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [0,2,0,0,0,0|2,0,0]=4 5747 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [0,2,0,0,0,0|2,0,0]=4 5748 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [0,2,0,0,0,0|2,0,0]=4 5749 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [0,2,0,0,0,0|2,0,0]=4 5750 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,2,0,0,0,0|2,0,0]=4 5751 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [0,2,0,0,0,0|0,1,0]=3 5752 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [0,2,0,0,0,0|0,1,0]=3 5753 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [0,2,0,0,0,0|0,1,0]=3 5754 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [0,2,0,0,0,0|0,1,0]=3 5755 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [0,2,0,0,0,0|1,0,1]=4 5756 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [0,2,0,0,0,0|1,0,1]=4 5757 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [0,2,0,0,0,0|1,0,1]=4 5758 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [0,2,0,0,0,0|0,0,2]=4 5759 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100000173361_100015361967 [0,2,0,0,0,0|0,1,0]=3 5760 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100015361967_100000173361 [0,2,0,0,0,0|0,1,0]=3 5761 B13R1.355 COc1ccc(nc1SCF)C=O 62a_100010174741_100015361967 [0,2,0,0,0,0|1,1,0]=4 5762 B13R1.355 COc1ccc(nc1SCF)C=O 62a_100015361967_100010174741 [0,2,0,0,0,0|1,1,0]=4 5763 B13R1.355 COc1cnc(cc1SCF)C=O 62a_100010893078_100015361967 [0,2,0,0,0,0|1,1,0]=4 5764 B13R1.355 COc1cnc(cc1SCF)C=O 62a_100015361967_100010893078 [0,2,0,0,0,0|1,1,0]=4 5765 B13R1.355 COc1ncc(cc1SCF)C=O 62a_100015361967_200010064893 [0,2,0,0,0,0|1,1,0]=4 5766 B13R1.355 COc1ncc(cc1SCF)C=O 62a_200010064893_100015361967 [0,2,0,0,0,0|1,1,0]=4 5767 B13R1.355 N#Cc1ccc(cc1SCF)C=O 62a_100015361967_100012355660 [0,2,0,0,0,0|1,1,0]=4 5768 B13R1.355 O=Cc1ccc(c(c1)SCF)C=O 62a_100015361967_100015597013 [0,2,0,0,0,0|0,1,1]=4 5769 B13R1.355 O=Cc1ccc(c(c1)SCF)C=O 62a_100015597013_100015361967 [0,2,0,0,0,0|0,1,1]=4 5770 B13R1.355 OCc1ccc(c(c1)OCF)CO 34a_200010669990_100015361967 [0,2,0,0,0,0|0,0,2]=4 5771 B13R1.386 C=C=Cc1cc(c(cn1)CO)OC 271570a_100015277604_100010714672 [0,2,0,0,0,0|2,0,0]=4 5772 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,2,0,0,0,0|2,0,0]=4 5773 B13R1.386 C=C=Cc1ccc(c(c1)OC)C#N 271570a_100015277604_100000694671 [0,2,0,0,0,0|2,0,0]=4 5774 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,2,0,0,0,0|1,0,1]=4 5775 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,2,0,0,0,0|1,0,0]=3 5777 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,2,0,0,0,0|1,0,0]=3 5778 B13R1.386 C=C=Cc1ccc(c(c1)OC)SC 271570a_100015277604_200011001119 [0,2,0,0,0,0|1,1,0]=4 5779 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,2,0,0,0,0|1,1,0]=4 5780 B13R1.386 C=C=Cc1ccc(c(n1)OC)CO 271570a_100015277604_100010988397 [0,2,0,0,0,0|2,0,0]=4 5781 B13R1.386 C=C=Cc1ccc(c(n1)OC)OC 271570a_100015277604_100010214848 [0,2,0,0,0,0|2,0,0]=4 5782 B13R1.386 C=C=Cc1cnc(c(c1)OC)CO 271570a_100015277604_200010246159 [0,2,0,0,0,0|2,0,0]=4 5783 B13R1.386 C=C=Cc1cnc(c(c1)OC)OC 271570a_100015277604_100010234541 [0,2,0,0,0,0|2,0,0]=4 5784 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,2,0,0,0,0|1,0,0]=3 5785 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,2,0,0,0,0|1,0,0]=3 5786 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [0,2,0,0,0,0|2,0,0]=4 5787 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,2,0,0,0,0|2,0,0]=4 5788 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [0,2,0,0,0,0|2,0,0]=4 5789 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,2,0,0,0,0|1,0,1]=4 5790 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [0,2,0,0,0,0|2,0,0]=4 5791 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,2,0,0,0,0|1,0,0]=3 5792 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,2,0,0,0,0|1,0,0]=3 5793 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,2,0,0,0,0|1,0,0]=3 5794 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,2,0,0,0,0|1,0,0]=3 5795 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [0,2,0,0,0,0|1,1,0]=4 5796 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,2,0,0,0,0|1,1,0]=4 5797 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [0,2,0,0,0,0|2,0,0]=4 5798 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [0,2,0,0,0,0|2,0,0]=4 5799 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [0,2,0,0,0,0|2,0,0]=4 5800 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [0,2,0,0,0,0|2,0,0]=4 5801 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,2,0,0,0,0|1,0,1]=4 5802 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,2,0,0,0,0|1,0,1]=4 5803 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,2,0,0,0,0|1,0,1]=4 5804 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,2,0,0,0,0|1,0,1]=4 5805 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [0,2,0,0,0,0|1,0,1]=4 5806 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,2,0,0,0,0|1,0,1]=4 5807 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [0,2,0,0,0,0|1,0,1]=4 5808 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,2,0,0,0,0|1,0,1]=4 5809 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [0,2,0,0,0,0|1,0,1]=4 5810 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [0,2,0,0,0,0|1,0,1]=4 5811 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,2,0,0,0,0|1,0,1]=4 5812 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,2,0,0,0,0|1,0,1]=4 5813 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,2,0,0,0,0|1,0,1]=4 5814 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,2,0,0,0,0|1,0,1]=4 5815 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,2,0,0,0,0|1,0,1]=4 5816 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,2,0,0,0,0|1,0,1]=4 5817 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,2,0,0,0,0|1,0,1]=4 5818 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,2,0,0,0,0|0,0,2]=4 5819 B13R1.386 COc1cc(ccc1CO)NCF 34a_100012183141_100015361967 [0,2,0,0,0,0|1,0,1]=4 5820 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [0,2,0,0,0,0|1,0,1]=4 5821 B13R1.386 COc1cc(ccc1CO)SCF 62a_100011277633_100015361967 [0,2,0,0,0,0|1,0,1]=4 5822 B13R1.386 COc1cc(ccc1CO)SCF 62a_100015361967_100011277633 [0,2,0,0,0,0|1,0,1]=4 5823 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,2,0,0,0,0|1,0,1]=4 5824 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,2,0,0,0,0|1,0,1]=4 5825 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,2,0,0,0,0|1,0,1]=4 5826 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,2,0,0,0,0|1,0,1]=4 5827 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,2,0,0,0,0|0,0,2]=4 5828 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,2,0,0,0,0|1,0,1]=4 5829 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,2,0,0,0,0|1,0,1]=4 5830 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,2,0,0,0,0|1,0,1]=4 5831 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,2,0,0,0,0|1,0,1]=4 5832 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,2,0,0,0,0|1,0,1]=4 5833 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,2,0,0,0,0|0,0,2]=4 5834 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,2,0,0,0,0|1,0,1]=4 5835 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,2,0,0,0,0|0,0,2]=4 5836 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,2,0,0,0,0|0,1,1]=4 5837 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,2,0,0,0,0|0,1,1]=4 5838 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,2,0,0,0,0|1,0,1]=4 5839 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,2,0,0,0,0|1,0,1]=4 5840 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,2,0,0,0,0|1,0,1]=4 5841 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,2,0,0,0,0|1,0,1]=4 5842 B13R1.434 C=Cc1cc(c(c(c1)OC)C#N)F 271570a_100011290941_100000697026 [0,2,0,0,0,0|2,0,0]=4 5843 B13R1.434 C=Cc1cc(c(c(c1)OC)C=O)F 271570a_100011290941_100010363811 [0,2,0,0,0,0|1,0,1]=4 5844 B13R1.434 COc1cc(c(c(c1)OC)OC)Br 34a_200020900881_200000210301 [0,2,0,0,0,0|2,0,0]=4 5845 B13R1.434 COc1cc(c(c(c1)O[13CH3])OC)Br 34a_200020900881_200025704644 [0,2,0,0,0,0|2,0,0]=4 5846 B13R1.434 COc1cc(cc(c1OC)Br)C#N 34a_100000188612_200000210301 [0,2,0,0,0,0|1,0,1]=4 5847 B13R1.434 COc1cc(cc(c1OC)Br)C#N 7a_100000188612_200000210301 [0,2,0,0,0,0|1,0,1]=4 5848 B13R1.434 COc1cc(cc(c1OC)C)C#N 34a_200009855753_200000210301 [0,2,0,0,0,0|1,0,1]=4 5849 B13R1.434 COc1cc(cc(c1OC)C)C#N 7a_200009855753_200000210301 [0,2,0,0,0,0|1,0,1]=4 5850 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 34a_100000014776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5851 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 7a_100000014776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5852 B13R1.434 COc1cc(cc(c1OC)Cl)CO 34a_200000246286_200000210301 [0,2,0,0,0,0|0,0,2]=4 5853 B13R1.434 COc1cc(cc(c1OC)I)C#N 7a_100000014777_200000210301 [0,2,0,0,0,0|1,0,1]=4 5854 B13R1.434 COc1cc(cc(c1OC)I)CO 34a_200000022573_200000210301 [0,2,0,0,0,0|0,0,2]=4 5855 B13R1.434 COc1cc(cc(c1OC)O)C#N 271570a_203496583355_100009812337 [0,2,0,0,0,0|1,0,1]=4 5856 B13R1.434 COc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000188315 [0,2,0,0,0,0|0,0,0]=2 5857 B13R1.434 COc1cc(cc(c1OC)O)CO 271570a_203496583355_200000215730 [0,2,0,0,0,0|0,0,2]=4 5858 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 34a_100000188612_200025704644 [0,2,0,0,0,0|1,0,1]=4 5859 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 7a_100000188612_200025704644 [0,2,0,0,0,0|1,0,1]=4 5860 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 34a_200009855753_200025704644 [0,2,0,0,0,0|1,0,1]=4 5861 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 7a_200009855753_200025704644 [0,2,0,0,0,0|1,0,1]=4 5862 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 34a_100000014776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5863 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 7a_100000014776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5864 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)CO 34a_200000246286_200025704644 [0,2,0,0,0,0|0,0,2]=4 5865 B13R1.434 COc1cc(cc(c1O[13CH3])I)C#N 7a_100000014777_200025704644 [0,2,0,0,0,0|1,0,1]=4 5866 B13R1.434 COc1cc(cc(c1O[13CH3])I)CO 34a_200000022573_200025704644 [0,2,0,0,0,0|0,0,2]=4 5867 B13R1.1249 C=C=Cc1ccc(cc1OC)C=O 271570a_100015277604_100010244714 [0,2,0,0,0,0|1,0,0]=3 5868 B13R1.1249 C=Cc1cc(ccc1OCC)C=O 271570a_100011290941_100000173028 [0,2,0,0,0,0|1,0,1]=4 5869 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [0,2,0,0,0,0|2,0,0]=4 5870 B13R1.1249 C=Cc1ccc(c(c1)OC)CC#N 271570a_100011290941_100010245117 [0,2,0,0,0,0|2,0,0]=4 5871 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [0,2,0,0,0,0|2,0,0]=4 5872 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [0,2,0,0,0,0|1,0,0]=3 5873 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [0,2,0,0,0,0|1,0,0]=3 5874 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [0,2,0,0,0,0|1,0,0]=3 5875 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [0,2,0,0,0,0|2,0,0]=4 5876 B13R1.1249 CC=Cc1ccc(cc1OC)C=O 271570a_100016259895_100010244714 [0,2,0,0,0,0|1,0,0]=3 5877 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [0,2,0,0,0,0|1,0,1]=4 5878 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [0,2,0,0,0,0|1,0,1]=4 5879 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [0,2,0,0,0,0|1,0,1]=4 5880 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [0,2,0,0,0,0|1,0,1]=4 5881 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [0,2,0,0,0,0|1,0,1]=4 5882 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [0,2,0,0,0,0|2,0,0]=4 5884 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 5885 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,2,0,0,0,0|2,0,0]=4 5887 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_100000173028_200000210301 [0,2,0,0,0,0|0,1,0]=3 5888 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173028 [0,2,0,0,0,0|0,1,0]=3 5889 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_100000173028_200025704644 [0,2,0,0,0,0|0,1,0]=3 5890 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173028 [0,2,0,0,0,0|0,1,0]=3 5891 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [0,2,0,0,0,0|0,1,0]=3 5892 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [0,2,0,0,0,0|0,1,0]=3 5893 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [0,2,0,0,0,0|1,0,1]=4 5894 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [0,2,0,0,0,0|1,0,1]=4 5895 B13R1.1249 COCc1ccc(cc1OC)C#N 34a_100000102359_200000210301 [0,2,0,0,0,0|1,0,1]=4 5896 B13R1.1249 COCc1ccc(cc1OC)C#N 7a_100000102359_200000210301 [0,2,0,0,0,0|1,0,1]=4 5897 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,2,0,0,0,0|2,0,0]=4 5898 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,2,0,0,0,0|2,0,0]=4 5899 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 34a_100000102359_200025704644 [0,2,0,0,0,0|1,0,1]=4 5900 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 7a_100000102359_200025704644 [0,2,0,0,0,0|1,0,1]=4 5901 B13R1.1249 COc1cc(ccc1OCF)C#N 34a_100000184589_100015361967 [0,2,0,0,0,0|1,0,1]=4 5902 B13R1.1249 COc1cc(ccc1OCF)C#N 7a_100000184589_100015361967 [0,2,0,0,0,0|1,0,1]=4 5903 B13R1.1249 COc1cc(ccc1OCF)CN 34a_100000185554_100015361967 [0,2,0,0,0,0|1,0,1]=4 5904 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100010244714_100015361967 [0,2,0,0,0,0|0,1,0]=3 5905 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100015361967_100010244714 [0,2,0,0,0,0|0,1,0]=3 5906 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,2,0,0,0,0|2,0,0]=4 5907 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,2,0,0,0,0|2,0,0]=4 5908 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,2,0,0,0,0|2,0,0]=4 5909 B13R1.2200 C=Cc1cc(c(cc1C=O)O)OC 271570a_100011290941_100000183646 [0,2,0,0,0,0|1,0,0]=3 5910 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)F 271570a_100011290941_100010366953 [0,2,0,0,0,0|1,0,0]=3 5911 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)O 271570a_100011290941_100000741691 [0,2,0,0,0,0|0,0,0]=2 5912 B13R1.2200 C=Cc1cc(c(cc1F)OC)OC 271570a_100011290941_200011765842 [0,2,0,0,0,0|1,0,0]=3 5913 B13R1.2200 C=Cc1cc(c(cc1OC)Br)OC 271570a_100011290941_100013799044 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.2200 C=Cc1cc(c(cc1OC)C)OC 271570a_100011290941_100000039368 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)F 271570a_100011290941_100000695681 [0,2,0,0,0,0|1,0,0]=3 5916 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)O 271570a_100011290941_100010762608 [0,2,0,0,0,0|1,0,0]=3 5917 B13R1.2200 C=Cc1cc(c(cc1OC)Cl)OC 271570a_100011290941_100000023288 [0,2,0,0,0,0|2,0,0]=4 5918 B13R1.2200 C=Cc1cc(c(cc1OC)F)C=O 271570a_100011290941_100010244998 [0,2,0,0,0,0|1,0,1]=4 5919 B13R1.2200 C=Cc1cc(c(cc1OC)O)C=O 271570a_100011290941_100009998278 [0,2,0,0,0,0|1,0,1]=4 5920 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [0,2,0,0,0,0|1,0,0]=3 5921 B13R1.2200 C=Cc1nc(c(cc1C)OC)OC 271570a_100011290941_200011016175 [0,2,0,0,0,0|2,0,0]=4 5922 B13R1.2200 CCc1cc(c(cc1C)OC)OC 34a_200010661296_200000210301 [0,2,0,0,0,0|1,0,1]=4 5923 B13R1.2200 CCc1cc(c(cc1C)OC)OC 7a_200010661296_200000210301 [0,2,0,0,0,0|1,0,1]=4 5924 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 34a_200010661296_200025704644 [0,2,0,0,0,0|1,0,1]=4 5925 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 7a_200010661296_200025704644 [0,2,0,0,0,0|1,0,1]=4 5926 B13R1.2200 CCc1cc(c(cc1F)OC)OC 34a_100000070332_200000210301 [0,2,0,0,0,0|1,0,1]=4 5927 B13R1.2200 CCc1cc(c(cc1F)OC)OC 7a_100000070332_200000210301 [0,2,0,0,0,0|1,0,1]=4 5928 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 34a_100000070332_200025704644 [0,2,0,0,0,0|1,0,1]=4 5929 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 7a_100000070332_200025704644 [0,2,0,0,0,0|1,0,1]=4 5930 B13R1.2200 CNc1cc(c(cc1C)OC)OC 34a_100000183460_200000210301 [0,2,0,0,0,0|2,0,0]=4 5931 B13R1.2200 CNc1cc(c(cc1F)OC)OC 34a_100000753170_200000210301 [0,2,0,0,0,0|2,0,0]=4 5932 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [0,2,0,0,0,0|2,0,0]=4 5934 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [0,2,0,0,0,0|2,0,0]=4 5935 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [0,2,0,0,0,0|2,0,0]=4 5936 B13R1.2200 COc1cc(c(cc1F)SC)C=O 62a_100010366953_200000210301 [0,2,0,0,0,0|1,0,0]=3 5937 B13R1.2200 COc1cc(c(cc1F)SC)C=O 62a_200000210301_100010366953 [0,2,0,0,0,0|1,0,0]=3 5938 B13R1.2200 COc1cc(c(cc1F)S[13CH3])C=O 62a_100010366953_200025704644 [0,2,0,0,0,0|1,0,0]=3 5939 B13R1.2200 COc1cc(c(cc1F)S[13CH3])C=O 62a_200025704644_100010366953 [0,2,0,0,0,0|1,0,0]=3 5940 B13R1.2200 COc1cc(c(cc1O)C=O)OC 271570a_203496583355_200009812229 [0,2,0,0,0,0|2,0,0]=4 5941 B13R1.2200 COc1cc(c(cc1O)C=O)SC 62a_200000210301_100000183646 [0,2,0,0,0,0|2,0,0]=4 5942 B13R1.2200 COc1cc(c(cc1O)C=O)S[13CH3] 62a_200025704644_100000183646 [0,2,0,0,0,0|2,0,0]=4 5943 B13R1.2200 COc1cc(c(cc1O)CO)OC 271570a_203496583355_200010164068 [0,2,0,0,0,0|2,0,0]=4 5944 B13R1.2200 COc1cc(c(cc1O)OC)C=O 271570a_203496583355_100000188581 [0,2,0,0,0,0|0,0,0]=2 5945 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [0,2,0,0,0,0|2,0,0]=4 5946 B13R1.2200 COc1cc(c(cc1O)SC)C=O 62a_200000210301_100000741691 [0,2,0,0,0,0|0,0,0]=2 5947 B13R1.2200 COc1cc(c(cc1O)S[13CH3])C=O 62a_200025704644_100000741691 [0,2,0,0,0,0|0,0,0]=2 5948 B13R1.2200 COc1cc(c(cc1OC)C#N)O 271570a_203496583355_100000188247 [0,2,0,0,0,0|1,0,1]=4 5949 B13R1.2200 COc1cc(c(cc1OC)C=O)O 271570a_203496583355_100000170863 [0,2,0,0,0,0|0,0,0]=2 5950 B13R1.2200 COc1cc(c(cc1OC)CO)O 271570a_203496583355_200000246283 [0,2,0,0,0,0|0,0,2]=4 5951 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])C 34a_100000183460_200025704644 [0,2,0,0,0,0|2,0,0]=4 5952 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])F 34a_100000753170_200025704644 [0,2,0,0,0,0|2,0,0]=4 5953 B13R1.2200 COc1cc(c(cc1OC)SC)F 62a_200011765842_200000210301 [0,2,0,0,0,0|2,0,0]=4 5954 B13R1.2200 COc1cc(c(cc1OC)S[13CH3])F 62a_200011765842_200025704644 [0,2,0,0,0,0|2,0,0]=4 5955 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_100010244998_200000210301 [0,2,0,0,0,0|0,1,0]=3 5956 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_200000210301_100010244998 [0,2,0,0,0,0|0,1,0]=3 5957 B13R1.2200 COc1cc(c(cc1SC)C=O)O 62a_200000210301_100009998278 [0,2,0,0,0,0|0,1,0]=3 5958 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_100000695681_200000210301 [0,2,0,0,0,0|0,1,0]=3 5959 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_200000210301_100000695681 [0,2,0,0,0,0|0,1,0]=3 5960 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_100010762608_200000210301 [0,2,0,0,0,0|0,1,0]=3 5961 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_200000210301_100010762608 [0,2,0,0,0,0|0,1,0]=3 5962 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_100010244998_200025704644 [0,2,0,0,0,0|0,1,0]=3 5963 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010244998 [0,2,0,0,0,0|0,1,0]=3 5964 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)O 62a_200025704644_100009998278 [0,2,0,0,0,0|0,1,0]=3 5965 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_100000695681_200025704644 [0,2,0,0,0,0|0,1,0]=3 5966 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100000695681 [0,2,0,0,0,0|0,1,0]=3 5967 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_100010762608_200025704644 [0,2,0,0,0,0|0,1,0]=3 5968 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_100010762608 [0,2,0,0,0,0|0,1,0]=3 5969 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [0,2,0,0,0,0|1,0,0]=3 5970 B13R1.2422 C=Cc1ccc(c(c1F)OC)C#N 271570a_100011290941_200010764283 [0,2,0,0,0,0|2,0,0]=4 5971 B13R1.2422 C=Cc1ccc(c(c1OC)F)C=O 271570a_100011290941_200010981996 [0,2,0,0,0,0|1,0,0]=3 5972 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200000210301_200010981996 [0,2,0,0,0,0|0,1,0]=3 5973 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200010981996_200000210301 [0,2,0,0,0,0|0,1,0]=3 5974 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200010981996_200025704644 [0,2,0,0,0,0|0,1,0]=3 5975 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_200010981996 [0,2,0,0,0,0|0,1,0]=3 5976 B13R1.2422 COc1ccc(c(c1OC)C)SC 62a_200000210301_100010000156 [0,2,0,0,0,0|2,0,0]=4 5977 B13R1.2422 COc1ccc(c(c1OC)C)S[13CH3] 62a_200025704644_100010000156 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [0,2,0,0,0,0|0,0,0]=2 5979 B13R1.2422 COc1ccc(c(c1SC)O)C=O 62a_200000210301_100016072024 [0,2,0,0,0,0|0,1,0]=3 5980 B13R1.2422 COc1ccc(c(c1S[13CH3])O)C=O 62a_200025704644_100016072024 [0,2,0,0,0,0|0,1,0]=3 5981 B13R1.2430 C=C(C)c1cc(ccc1C#N)C=O 271570a_100000694244_100012355660 [0,2,0,0,0,0|2,0,0]=4 5982 B13R1.2430 C=C(C)c1cc(ccc1C=O)C=O 271570a_100000694244_100015597013 [0,2,0,0,0,0|1,0,1]=4 5983 B13R1.2430 C=C(C)c1cc(ccc1NC)C=O 271570a_100000694244_200010290468 [0,2,0,0,0,0|2,0,0]=4 5984 B13R1.2430 C=C(C)c1cc(ccc1OC)C=O 271570a_100000694244_100000173361 [0,2,0,0,0,0|1,0,0]=3 5985 B13R1.2430 C=C(C)c1cc(cnc1OC)C=O 271570a_100000694244_200010064893 [0,2,0,0,0,0|2,0,0]=4 5986 B13R1.2430 C=C(C)c1cc(ncc1OC)C=O 271570a_100000694244_100010893078 [0,2,0,0,0,0|2,0,0]=4 5987 B13R1.2430 C=C(C)c1nc(ccc1OC)C=O 271570a_100000694244_100010174741 [0,2,0,0,0,0|2,0,0]=4 5988 B13R1.2430 C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100011290941_100000173343 [0,2,0,0,0,0|2,0,0]=4 5989 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,2,0,0,0,0|2,0,0]=4 5990 B13R1.97 C=Cc1ccc(c(c1)OC(=O)C)C 271570a_100011290941_100103282185 [0,2,0,0,0,0|2,0,0]=4 5991 B13R1.97 C=Cc1ccc(c(c1)OC(C)C)C 271570a_100011290941_200012359587 [0,2,0,0,0,0|2,0,0]=4 5992 B13R1.97 C=Cc1ccc(c(c1)OC(C)C)F 271570a_100011290941_200012350295 [0,2,0,0,0,0|2,0,0]=4 5993 B13R1.97 C=Cc1ccc(c(c1)OC(F)F)F 271570a_100011290941_100012359426 [0,2,0,0,0,0|2,0,0]=4 5994 B13R1.97 C=Cc1ccc(c(c1)OC(F)F)N 271570a_100011290941_100010212277 [0,2,0,0,0,0|2,0,0]=4 5995 B13R1.97 CC(=Cc1cc(ccc1Br)C=O)C 271570a_100102525489_100010146563 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.97 CC(=Cc1cc(ccc1C)C=O)C 271570a_100102525489_100000695567 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.97 CC(=Cc1cc(ccc1Cl)C=O)C 271570a_100102525489_100010209939 [0,2,0,0,0,0|2,0,0]=4 5998 B13R1.97 CC(=Cc1cc(ccc1F)C=O)C 271570a_100102525489_100000211747 [0,2,0,0,0,0|2,0,0]=4 5999 B13R1.97 CC(=Cc1cc(ccc1O)C=O)C 271570a_100102525489_100000184552 [0,2,0,0,0,0|1,0,0]=3 6000 B13R1.97 CC(=Cc1cc(cnc1O)C=O)C 271570a_100102525489_100010064886 [0,2,0,0,0,0|2,0,0]=4 6001 B13R1.97 CC(C)Sc1cc(ccc1Br)C=O 62a_100000210206_100010146563 [0,2,0,0,0,0|1,1,0]=4 6002 B13R1.97 CC(C)Sc1cc(ccc1Br)C=O 62a_100010146563_100000210206 [0,2,0,0,0,0|1,1,0]=4 6003 B13R1.97 CC(C)Sc1cc(ccc1Cl)C=O 62a_100000210206_100010209939 [0,2,0,0,0,0|1,1,0]=4 6004 B13R1.97 CC(C)Sc1cc(ccc1Cl)C=O 62a_100010209939_100000210206 [0,2,0,0,0,0|1,1,0]=4 6005 B13R1.97 CC(C)Sc1cc(ccc1F)C=O 62a_100000210206_100000211747 [0,2,0,0,0,0|1,1,0]=4 6006 B13R1.97 CC(C)Sc1cc(ccc1F)C=O 62a_100000211747_100000210206 [0,2,0,0,0,0|1,1,0]=4 6007 B13R1.97 CC(C)Sc1cc(ccc1O)C=O 62a_100000184552_100000210206 [0,2,0,0,0,0|0,1,0]=3 6008 B13R1.97 CC(C)Sc1cc(ccc1O)C=O 62a_100000210206_100000184552 [0,2,0,0,0,0|0,1,0]=3 6009 B13R1.97 CC(C)Sc1cc(cnc1O)C=O 62a_100000210206_100010064886 [0,2,0,0,0,0|1,1,0]=4 6010 B13R1.97 CC(C)Sc1cc(cnc1O)C=O 62a_100010064886_100000210206 [0,2,0,0,0,0|1,1,0]=4 6011 B13R1.97 Cc1ccc(cc1SC(C)C)C=O 62a_100000210206_100000695567 [0,2,0,0,0,0|1,1,0]=4 6012 B13R1.97 Cc1ccc(cc1SC(C)C)C=O 62a_100000695567_100000210206 [0,2,0,0,0,0|1,1,0]=4 6013 B13R1.384 C=C=Cc1ccc(c(c1)CNC)O 271570a_100015277604_100011602694 [0,2,0,0,0,0|2,0,0]=4 6014 B13R1.384 C=C=Cc1ccc(c(c1)COC)Br 271570a_100015277604_202125822959 [0,2,0,0,0,0|2,0,0]=4 6015 B13R1.384 C=C=Cc1ccc(c(c1)COC)F 271570a_100015277604_100010140362 [0,2,0,0,0,0|2,0,0]=4 6016 B13R1.384 C=C=Cc1ccc(c(c1)OCC)C 271570a_100015277604_100012361169 [0,2,0,0,0,0|2,0,0]=4 6017 B13R1.384 C=C=Cc1ccc(c(c1)OCC)F 271570a_100015277604_200012344967 [0,2,0,0,0,0|2,0,0]=4 6018 B13R1.384 C=C=Cc1ccc(c(c1)OCC)N 271570a_100015277604_100000688918 [0,2,0,0,0,0|2,0,0]=4 6019 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [0,2,0,0,0,0|2,0,0]=4 6020 B13R1.384 CC=Cc1ccc(c(c1)COC)Br 271570a_100016259895_202125822959 [0,2,0,0,0,0|2,0,0]=4 6021 B13R1.384 CC=Cc1ccc(c(c1)COC)F 271570a_100016259895_100010140362 [0,2,0,0,0,0|2,0,0]=4 6022 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [0,2,0,0,0,0|2,0,0]=4 6023 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [0,2,0,0,0,0|2,0,0]=4 6024 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [0,2,0,0,0,0|2,0,0]=4 6025 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,2,0,0,0,0|1,0,1]=4 6026 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,2,0,0,0,0|1,0,1]=4 6027 B13R1.558 C#CCSc1cc(ccc1Br)C=O 62a_100000038162_100010146563 [0,2,0,0,0,0|1,1,0]=4 6028 B13R1.558 C#CCSc1cc(ccc1C)C=O 62a_100000038162_100000695567 [0,2,0,0,0,0|1,1,0]=4 6029 B13R1.558 C#CCSc1cc(ccc1Cl)C=O 62a_100000038162_100010209939 [0,2,0,0,0,0|1,1,0]=4 6030 B13R1.558 C#CCSc1cc(ccc1F)C=O 62a_100000038162_100000211747 [0,2,0,0,0,0|1,1,0]=4 6031 B13R1.558 C#CCSc1cc(ccc1O)C=O 62a_100000038162_100000184552 [0,2,0,0,0,0|0,1,0]=3 6032 B13R1.558 C#CCSc1cc(cnc1O)C=O 62a_100000038162_100010064886 [0,2,0,0,0,0|1,1,0]=4 6033 B13R1.558 C=CCSc1cc(ccc1Br)C=O 62a_100000210623_100010146563 [0,2,0,0,0,0|1,1,0]=4 6034 B13R1.558 C=CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210623 [0,2,0,0,0,0|1,1,0]=4 6035 B13R1.558 C=CCSc1cc(ccc1C)C=O 62a_100000210623_100000695567 [0,2,0,0,0,0|1,1,0]=4 6036 B13R1.558 C=CCSc1cc(ccc1C)C=O 62a_100000695567_100000210623 [0,2,0,0,0,0|1,1,0]=4 6037 B13R1.558 C=CCSc1cc(ccc1Cl)C=O 62a_100000210623_100010209939 [0,2,0,0,0,0|1,1,0]=4 6038 B13R1.558 C=CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210623 [0,2,0,0,0,0|1,1,0]=4 6039 B13R1.558 C=CCSc1cc(ccc1F)C=O 62a_100000210623_100000211747 [0,2,0,0,0,0|1,1,0]=4 6040 B13R1.558 C=CCSc1cc(ccc1F)C=O 62a_100000211747_100000210623 [0,2,0,0,0,0|1,1,0]=4 6041 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000184552_100000210623 [0,2,0,0,0,0|0,1,0]=3 6042 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000210623_100000184552 [0,2,0,0,0,0|0,1,0]=3 6043 B13R1.558 C=CCSc1cc(cnc1O)C=O 62a_100000210623_100010064886 [0,2,0,0,0,0|1,1,0]=4 6044 B13R1.558 C=CCSc1cc(cnc1O)C=O 62a_100010064886_100000210623 [0,2,0,0,0,0|1,1,0]=4 6045 B13R1.558 C=Cc1ccc(c(c1)/C=N/OC)F 271570a_100011290941_200009812721 [0,2,0,0,0,0|2,0,0]=4 6046 B13R1.558 C=Cc1ccc(c(c1)CNCC)O 271570a_100011290941_100000765307 [0,2,0,0,0,0|2,0,0]=4 6047 B13R1.558 CCCCc1cc(ccc1Br)C=O 271570a_100020621405_100010146563 [0,2,0,0,0,0|2,0,0]=4 6048 B13R1.558 CCCCc1cc(ccc1C)C=O 271570a_100020621405_100000695567 [0,2,0,0,0,0|2,0,0]=4 6049 B13R1.558 CCCCc1cc(ccc1Cl)C=O 271570a_100020621405_100010209939 [0,2,0,0,0,0|2,0,0]=4 6050 B13R1.558 CCCCc1cc(ccc1F)C=O 271570a_100020621405_100000211747 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.558 CCCCc1cc(ccc1O)C=O 271570a_100020621405_100000184552 [0,2,0,0,0,0|1,0,0]=3 6052 B13R1.558 CCCCc1cc(cnc1O)C=O 271570a_100020621405_100010064886 [0,2,0,0,0,0|2,0,0]=4 6053 B13R1.558 CCCSc1cc(ccc1Br)C=O 62a_100000210303_100010146563 [0,2,0,0,0,0|1,1,0]=4 6054 B13R1.558 CCCSc1cc(ccc1Br)C=O 62a_100010146563_100000210303 [0,2,0,0,0,0|1,1,0]=4 6055 B13R1.558 CCCSc1cc(ccc1C)C=O 62a_100000210303_100000695567 [0,2,0,0,0,0|1,1,0]=4 6056 B13R1.558 CCCSc1cc(ccc1C)C=O 62a_100000695567_100000210303 [0,2,0,0,0,0|1,1,0]=4 6057 B13R1.558 CCCSc1cc(ccc1Cl)C=O 62a_100000210303_100010209939 [0,2,0,0,0,0|1,1,0]=4 6058 B13R1.558 CCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210303 [0,2,0,0,0,0|1,1,0]=4 6059 B13R1.558 CCCSc1cc(ccc1F)C=O 62a_100000210303_100000211747 [0,2,0,0,0,0|1,1,0]=4 6060 B13R1.558 CCCSc1cc(ccc1F)C=O 62a_100000211747_100000210303 [0,2,0,0,0,0|1,1,0]=4 6061 B13R1.558 CCCSc1cc(ccc1O)C=O 62a_100000184552_100000210303 [0,2,0,0,0,0|0,1,0]=3 6062 B13R1.558 CCCSc1cc(ccc1O)C=O 62a_100000210303_100000184552 [0,2,0,0,0,0|0,1,0]=3 6063 B13R1.558 CCCSc1cc(cnc1O)C=O 62a_100000210303_100010064886 [0,2,0,0,0,0|1,1,0]=4 6064 B13R1.558 CCCSc1cc(cnc1O)C=O 62a_100010064886_100000210303 [0,2,0,0,0,0|1,1,0]=4 6065 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100000766300_100012339963 [0,2,0,0,0,0|1,0,1]=4 6066 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100012339963_100000766300 [0,2,0,0,0,0|1,0,1]=4 6067 B13R1.558 COCSc1cc(ccc1Br)C=O 62a_100000766300_100010146563 [0,2,0,0,0,0|1,0,0]=3 6068 B13R1.558 COCSc1cc(ccc1Br)C=O 62a_100010146563_100000766300 [0,2,0,0,0,0|1,0,0]=3 6069 B13R1.558 COCSc1cc(ccc1C)C=O 62a_100000695567_100000766300 [0,2,0,0,0,0|1,0,0]=3 6070 B13R1.558 COCSc1cc(ccc1C)C=O 62a_100000766300_100000695567 [0,2,0,0,0,0|1,0,0]=3 6071 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100000766300_100010209939 [0,2,0,0,0,0|1,0,0]=3 6072 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100010209939_100000766300 [0,2,0,0,0,0|1,0,0]=3 6073 B13R1.558 COCSc1cc(ccc1F)C=O 62a_100000211747_100000766300 [0,2,0,0,0,0|1,0,0]=3 6074 B13R1.558 COCSc1cc(ccc1F)C=O 62a_100000766300_100000211747 [0,2,0,0,0,0|1,0,0]=3 6075 B13R1.558 COCSc1cc(ccc1O)C#N 62a_100000766300_100000725478 [0,2,0,0,0,0|1,0,1]=4 6076 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000184552_100000766300 [0,2,0,0,0,0|0,0,0]=2 6077 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000766300_100000184552 [0,2,0,0,0,0|0,0,0]=2 6078 B13R1.558 COCSc1cc(ccc1O)CO 62a_100000766300_100011191544 [0,2,0,0,0,0|0,0,2]=4 6079 B13R1.558 COCSc1cc(ccc1O)CO 62a_100011191544_100000766300 [0,2,0,0,0,0|0,0,2]=4 6080 B13R1.558 COCSc1cc(ccc1O)OC 62a_100000766300_100000685887 [0,2,0,0,0,0|2,0,0]=4 6081 B13R1.558 COCSc1cc(cnc1N)C=O 62a_100000766300_100010064899 [0,2,0,0,0,0|2,0,0]=4 6082 B13R1.558 COCSc1cc(cnc1N)C=O 62a_100010064899_100000766300 [0,2,0,0,0,0|2,0,0]=4 6083 B13R1.558 COCSc1cc(cnc1O)C=O 62a_100000766300_100010064886 [0,2,0,0,0,0|1,0,0]=3 6084 B13R1.558 COCSc1cc(cnc1O)C=O 62a_100010064886_100000766300 [0,2,0,0,0,0|1,0,0]=3 6085 B13R1.558 COCSc1cc(ncc1C)C=O 62a_100000766300_100010174032 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.558 COCSc1cc(ncc1C)C=O 62a_100010174032_100000766300 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.558 CSCSc1cc(ccc1Br)C=O 62a_100010146563_100011218213 [0,2,0,0,0,0|1,1,0]=4 6088 B13R1.558 CSCSc1cc(ccc1Br)C=O 62a_100011218213_100010146563 [0,2,0,0,0,0|1,1,0]=4 6089 B13R1.558 CSCSc1cc(ccc1C)C=O 62a_100000695567_100011218213 [0,2,0,0,0,0|1,1,0]=4 6090 B13R1.558 CSCSc1cc(ccc1C)C=O 62a_100011218213_100000695567 [0,2,0,0,0,0|1,1,0]=4 6091 B13R1.558 CSCSc1cc(ccc1Cl)C=O 62a_100010209939_100011218213 [0,2,0,0,0,0|1,1,0]=4 6092 B13R1.558 CSCSc1cc(ccc1Cl)C=O 62a_100011218213_100010209939 [0,2,0,0,0,0|1,1,0]=4 6093 B13R1.558 CSCSc1cc(ccc1F)C=O 62a_100000211747_100011218213 [0,2,0,0,0,0|1,1,0]=4 6094 B13R1.558 CSCSc1cc(ccc1F)C=O 62a_100011218213_100000211747 [0,2,0,0,0,0|1,1,0]=4 6095 B13R1.558 CSCSc1cc(ccc1O)C=O 62a_100000184552_100011218213 [0,2,0,0,0,0|0,1,0]=3 6096 B13R1.558 CSCSc1cc(ccc1O)C=O 62a_100011218213_100000184552 [0,2,0,0,0,0|0,1,0]=3 6097 B13R1.558 CSCSc1cc(cnc1O)C=O 62a_100010064886_100011218213 [0,2,0,0,0,0|1,1,0]=4 6098 B13R1.558 CSCSc1cc(cnc1O)C=O 62a_100011218213_100010064886 [0,2,0,0,0,0|1,1,0]=4 6099 B13R1.558 Cc1ccc(cc1SCC#N)C=O 62a_100000695567_100011215382 [0,2,0,0,0,0|1,1,0]=4 6100 B13R1.558 Cc1ccc(cc1SCC#N)C=O 62a_100011215382_100000695567 [0,2,0,0,0,0|1,1,0]=4 6101 B13R1.558 Cc1ccc(cc1SCC=O)C=O 62a_100000695567_200015260668 [0,2,0,0,0,0|1,1,0]=4 6102 B13R1.558 Cc1ccc(cc1SCC=O)C=O 62a_200015260668_100000695567 [0,2,0,0,0,0|1,1,0]=4 6103 B13R1.558 Cc1ccc(cc1SCCF)C=O 62a_100000695567_100011217306 [0,2,0,0,0,0|1,1,0]=4 6104 B13R1.558 Cc1ccc(cc1SCCF)C=O 62a_100011217306_100000695567 [0,2,0,0,0,0|1,1,0]=4 6105 B13R1.558 Cc1ccc(cc1SCCO)C=O 62a_100000211926_100000695567 [0,2,0,0,0,0|1,1,0]=4 6106 B13R1.558 Cc1ccc(cc1SCCO)C=O 62a_100000695567_100000211926 [0,2,0,0,0,0|1,1,0]=4 6107 B13R1.558 N#CCSc1cc(ccc1Br)C=O 62a_100010146563_100011215382 [0,2,0,0,0,0|1,1,0]=4 6108 B13R1.558 N#CCSc1cc(ccc1Br)C=O 62a_100011215382_100010146563 [0,2,0,0,0,0|1,1,0]=4 6109 B13R1.558 N#CCSc1cc(ccc1Cl)C=O 62a_100010209939_100011215382 [0,2,0,0,0,0|1,1,0]=4 6110 B13R1.558 N#CCSc1cc(ccc1Cl)C=O 62a_100011215382_100010209939 [0,2,0,0,0,0|1,1,0]=4 6111 B13R1.558 N#CCSc1cc(ccc1F)C=O 62a_100000211747_100011215382 [0,2,0,0,0,0|1,1,0]=4 6112 B13R1.558 N#CCSc1cc(ccc1F)C=O 62a_100011215382_100000211747 [0,2,0,0,0,0|1,1,0]=4 6113 B13R1.558 N#CCSc1cc(ccc1O)C=O 62a_100000184552_100011215382 [0,2,0,0,0,0|0,1,0]=3 6114 B13R1.558 N#CCSc1cc(ccc1O)C=O 62a_100011215382_100000184552 [0,2,0,0,0,0|0,1,0]=3 6115 B13R1.558 N#CCSc1cc(cnc1O)C=O 62a_100010064886_100011215382 [0,2,0,0,0,0|1,1,0]=4 6116 B13R1.558 N#CCSc1cc(cnc1O)C=O 62a_100011215382_100010064886 [0,2,0,0,0,0|1,1,0]=4 6117 B13R1.558 O=CCSc1cc(ccc1Br)C=O 62a_100010146563_200015260668 [0,2,0,0,0,0|1,1,0]=4 6118 B13R1.558 O=CCSc1cc(ccc1Br)C=O 62a_200015260668_100010146563 [0,2,0,0,0,0|1,1,0]=4 6119 B13R1.558 O=CCSc1cc(ccc1Cl)C=O 62a_100010209939_200015260668 [0,2,0,0,0,0|1,1,0]=4 6120 B13R1.558 O=CCSc1cc(ccc1Cl)C=O 62a_200015260668_100010209939 [0,2,0,0,0,0|1,1,0]=4 6121 B13R1.558 O=CCSc1cc(ccc1F)C=O 62a_100000211747_200015260668 [0,2,0,0,0,0|1,1,0]=4 6122 B13R1.558 O=CCSc1cc(ccc1F)C=O 62a_200015260668_100000211747 [0,2,0,0,0,0|1,1,0]=4 6123 B13R1.558 O=CCSc1cc(ccc1O)C=O 62a_100000184552_200015260668 [0,2,0,0,0,0|0,1,0]=3 6124 B13R1.558 O=CCSc1cc(ccc1O)C=O 62a_200015260668_100000184552 [0,2,0,0,0,0|0,1,0]=3 6125 B13R1.558 O=CCSc1cc(cnc1O)C=O 62a_100010064886_200015260668 [0,2,0,0,0,0|1,1,0]=4 6126 B13R1.558 O=CCSc1cc(cnc1O)C=O 62a_200015260668_100010064886 [0,2,0,0,0,0|1,1,0]=4 6127 B13R1.558 O=Cc1ccc(c(c1)SCCF)Br 62a_100010146563_100011217306 [0,2,0,0,0,0|1,1,0]=4 6128 B13R1.558 O=Cc1ccc(c(c1)SCCF)Br 62a_100011217306_100010146563 [0,2,0,0,0,0|1,1,0]=4 6129 B13R1.558 O=Cc1ccc(c(c1)SCCF)Cl 62a_100010209939_100011217306 [0,2,0,0,0,0|1,1,0]=4 6130 B13R1.558 O=Cc1ccc(c(c1)SCCF)Cl 62a_100011217306_100010209939 [0,2,0,0,0,0|1,1,0]=4 6131 B13R1.558 O=Cc1ccc(c(c1)SCCF)F 62a_100000211747_100011217306 [0,2,0,0,0,0|1,1,0]=4 6132 B13R1.558 O=Cc1ccc(c(c1)SCCF)F 62a_100011217306_100000211747 [0,2,0,0,0,0|1,1,0]=4 6133 B13R1.558 O=Cc1ccc(c(c1)SCCF)O 62a_100000184552_100011217306 [0,2,0,0,0,0|0,1,0]=3 6134 B13R1.558 O=Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000184552 [0,2,0,0,0,0|0,1,0]=3 6135 B13R1.558 O=Cc1ccc(c(c1)SCCO)Br 62a_100000211926_100010146563 [0,2,0,0,0,0|1,1,0]=4 6136 B13R1.558 O=Cc1ccc(c(c1)SCCO)Br 62a_100010146563_100000211926 [0,2,0,0,0,0|1,1,0]=4 6137 B13R1.558 O=Cc1ccc(c(c1)SCCO)Cl 62a_100000211926_100010209939 [0,2,0,0,0,0|1,1,0]=4 6138 B13R1.558 O=Cc1ccc(c(c1)SCCO)Cl 62a_100010209939_100000211926 [0,2,0,0,0,0|1,1,0]=4 6139 B13R1.558 O=Cc1ccc(c(c1)SCCO)F 62a_100000211747_100000211926 [0,2,0,0,0,0|1,1,0]=4 6140 B13R1.558 O=Cc1ccc(c(c1)SCCO)F 62a_100000211926_100000211747 [0,2,0,0,0,0|1,1,0]=4 6141 B13R1.558 O=Cc1ccc(c(c1)SCCO)O 62a_100000184552_100000211926 [0,2,0,0,0,0|0,1,0]=3 6142 B13R1.558 O=Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000184552 [0,2,0,0,0,0|0,1,0]=3 6143 B13R1.558 O=Cc1cnc(c(c1)SCCF)O 62a_100010064886_100011217306 [0,2,0,0,0,0|1,1,0]=4 6144 B13R1.558 O=Cc1cnc(c(c1)SCCF)O 62a_100011217306_100010064886 [0,2,0,0,0,0|1,1,0]=4 6145 B13R1.558 O=Cc1cnc(c(c1)SCCO)O 62a_100000211926_100010064886 [0,2,0,0,0,0|1,1,0]=4 6146 B13R1.558 O=Cc1cnc(c(c1)SCCO)O 62a_100010064886_100000211926 [0,2,0,0,0,0|1,1,0]=4 6147 B13R1.2431 C=Cc1cc(c(cn1)O)C(=O)OC 271570a_100011290941_100010136202 [0,2,0,0,0,0|2,0,0]=4 6148 B13R1.2431 C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100011290941_100000183607 [0,2,0,0,0,0|2,0,0]=4 6149 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100011290941_100012340073 [0,2,0,0,0,0|2,0,0]=4 6150 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)C 271570a_100011290941_100012360116 [0,2,0,0,0,0|2,0,0]=4 6151 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100011290941_100012353682 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)F 271570a_100011290941_100000154357 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)N 271570a_100011290941_100000212070 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,2,0,0,0,0|1,0,0]=3 6155 B13R1.2431 C=Cc1ccc(c(n1)C(=O)OC)O 271570a_100011290941_100000697862 [0,2,0,0,0,0|2,0,0]=4 6156 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,2,0,0,0,0|1,0,1]=4 6157 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,2,0,0,0,0|0,0,0]=2 6158 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|1,0,1]=4 6159 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|2,0,0]=4 6160 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|2,0,0]=4 6161 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|2,0,0]=4 6162 B13R1.2900 C=C=Cc1cc(c(cc1Br)Br)OC 271570a_100015277604_200014006352 [0,2,0,0,0,0|2,0,0]=4 6163 B13R1.2900 C=C=Cc1cc(c(cc1C)F)OC 271570a_100015277604_100011009880 [0,2,0,0,0,0|2,0,0]=4 6164 B13R1.2900 C=C=Cc1cc(c(cc1C)N)OC 271570a_100015277604_100010141321 [0,2,0,0,0,0|2,0,0]=4 6165 B13R1.2900 C=C=Cc1cc(c(cc1F)Cl)OC 271570a_100015277604_100010739614 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.2900 C=C=Cc1cc(c(cc1F)F)OC 271570a_100015277604_200015541288 [0,2,0,0,0,0|2,0,0]=4 6167 B13R1.2900 C=C=Cc1cc(c(cc1F)N)OC 271570a_100015277604_100012766639 [0,2,0,0,0,0|2,0,0]=4 6168 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,2,0,0,0,0|1,0,0]=3 6169 B13R1.2900 C=C=Cc1cc(c(cc1N)C)OC 271570a_100015277604_200010584344 [0,2,0,0,0,0|2,0,0]=4 6170 B13R1.2900 C=C=Cc1cc(c(cc1N)F)OC 271570a_100015277604_100010365326 [0,2,0,0,0,0|2,0,0]=4 6171 B13R1.2900 C=C=Cc1cc(c(cc1O)O)C=O 271570a_100015277604_200010132312 [0,2,0,0,0,0|1,0,1]=4 6172 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [0,2,0,0,0,0|2,0,0]=4 6173 B13R1.2900 CC=Cc1cc(c(cc1C)F)C=O 271570a_100016259895_100010138641 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [0,2,0,0,0,0|2,0,0]=4 6175 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [0,2,0,0,0,0|2,0,0]=4 6176 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [0,2,0,0,0,0|2,0,0]=4 6177 B13R1.2900 CC=Cc1cc(c(cc1F)F)C=O 271570a_100016259895_100009814802 [0,2,0,0,0,0|2,0,0]=4 6178 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [0,2,0,0,0,0|2,0,0]=4 6179 B13R1.2900 CC=Cc1cc(c(cc1F)N)C=O 271570a_100016259895_200010571964 [0,2,0,0,0,0|2,0,0]=4 6180 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [0,2,0,0,0,0|2,0,0]=4 6181 B13R1.2900 CC=Cc1cc(c(cc1F)O)C=O 271570a_100016259895_100010175118 [0,2,0,0,0,0|2,0,0]=4 6182 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,2,0,0,0,0|1,0,0]=3 6183 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [0,2,0,0,0,0|2,0,0]=4 6184 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [0,2,0,0,0,0|2,0,0]=4 6185 B13R1.2900 CC=Cc1cc(c(cc1O)O)C=O 271570a_100016259895_200010132312 [0,2,0,0,0,0|1,0,0]=3 6186 B13R1.2900 CCOc1cc(c(cc1O)O)C#N 271570a_203496583355_100009814618 [0,2,0,0,0,0|1,0,1]=4 6187 B13R1.2900 CCOc1cc(c(cc1O)O)C=O 271570a_203496583355_100009812231 [0,2,0,0,0,0|0,0,0]=2 6188 B13R1.2900 CCSc1cc(c(cc1C)F)C=O 62a_100000210202_100010138641 [0,2,0,0,0,0|1,1,0]=4 6189 B13R1.2900 CCSc1cc(c(cc1C)F)C=O 62a_100010138641_100000210202 [0,2,0,0,0,0|1,1,0]=4 6190 B13R1.2900 CCSc1cc(c(cc1F)F)C=O 62a_100000210202_100009814802 [0,2,0,0,0,0|1,1,0]=4 6191 B13R1.2900 CCSc1cc(c(cc1F)F)C=O 62a_100009814802_100000210202 [0,2,0,0,0,0|1,1,0]=4 6192 B13R1.2900 CCSc1cc(c(cc1F)N)C=O 62a_100000210202_200010571964 [0,2,0,0,0,0|1,1,0]=4 6193 B13R1.2900 CCSc1cc(c(cc1F)N)C=O 62a_200010571964_100000210202 [0,2,0,0,0,0|1,1,0]=4 6194 B13R1.2900 CCSc1cc(c(cc1F)O)C=O 62a_100000210202_100010175118 [0,2,0,0,0,0|1,1,0]=4 6195 B13R1.2900 CCSc1cc(c(cc1F)O)C=O 62a_100010175118_100000210202 [0,2,0,0,0,0|1,1,0]=4 6196 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [0,2,0,0,0,0|1,0,1]=4 6197 B13R1.2900 CCSc1cc(c(cc1O)O)C=O 62a_100000210202_200010132312 [0,2,0,0,0,0|0,1,0]=3 6198 B13R1.2900 COc1cc(c(cc1O)F)SCF 62a_100015361967_100010189133 [0,2,0,0,0,0|1,0,1]=4 6199 B13R1.2900 Cc1cc(c(cc1SCF)C=O)F 62a_100010138641_100015361967 [0,2,0,0,0,0|1,1,0]=4 6200 B13R1.2900 Cc1cc(c(cc1SCF)C=O)F 62a_100015361967_100010138641 [0,2,0,0,0,0|1,1,0]=4 6201 B13R1.2900 Nc1cc(c(cc1C=O)SCF)F 62a_100015361967_200010571964 [0,2,0,0,0,0|1,1,0]=4 6202 B13R1.2900 Nc1cc(c(cc1C=O)SCF)F 62a_200010571964_100015361967 [0,2,0,0,0,0|1,1,0]=4 6203 B13R1.2900 O=Cc1cc(c(cc1F)F)SCF 62a_100009814802_100015361967 [0,2,0,0,0,0|1,1,0]=4 6204 B13R1.2900 O=Cc1cc(c(cc1F)F)SCF 62a_100015361967_100009814802 [0,2,0,0,0,0|1,1,0]=4 6205 B13R1.2900 O=Cc1cc(c(cc1O)F)SCF 62a_100010175118_100015361967 [0,2,0,0,0,0|1,1,0]=4 6206 B13R1.2900 O=Cc1cc(c(cc1O)F)SCF 62a_100015361967_100010175118 [0,2,0,0,0,0|1,1,0]=4 6207 B13R1.2900 O=Cc1cc(c(cc1O)O)SCF 62a_100015361967_200010132312 [0,2,0,0,0,0|0,1,0]=3 6208 B13R1.3981 C=C=Cc1cc(cc(c1O)F)C=O 271570a_100015277604_100010295671 [0,2,0,0,0,0|1,0,1]=4 6209 B13R1.3981 C=Cc1cc(c(c(c1)OCC)F)F 271570a_100011290941_200012359421 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.3981 CC=Cc1cc(cc(c1C)F)C=O 271570a_100016259895_100010132949 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.3981 CC=Cc1cc(cc(c1F)Br)C=O 271570a_100016259895_100010270029 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.3981 CC=Cc1cc(cc(c1F)F)C=O 271570a_100016259895_200010341283 [0,2,0,0,0,0|2,0,0]=4 6213 B13R1.3981 CC=Cc1cc(cc(c1O)F)C=O 271570a_100016259895_100010295671 [0,2,0,0,0,0|1,0,0]=3 6214 B13R1.3981 CCOc1cc(cc(c1O)O)C#N 271570a_203496583355_100000684219 [0,2,0,0,0,0|1,0,1]=4 6215 B13R1.3981 CCOc1cc(cc(c1O)O)C=O 271570a_203496583355_100000183328 [0,2,0,0,0,0|0,0,0]=2 6216 B13R1.3981 CCSc1cc(cc(c1C)F)C=O 62a_100000210202_100010132949 [0,2,0,0,0,0|1,1,0]=4 6217 B13R1.3981 CCSc1cc(cc(c1C)F)C=O 62a_100010132949_100000210202 [0,2,0,0,0,0|1,1,0]=4 6218 B13R1.3981 CCSc1cc(cc(c1F)Br)C=O 62a_100000210202_100010270029 [0,2,0,0,0,0|1,1,0]=4 6219 B13R1.3981 CCSc1cc(cc(c1F)Br)C=O 62a_100010270029_100000210202 [0,2,0,0,0,0|1,1,0]=4 6220 B13R1.3981 CCSc1cc(cc(c1F)F)C=O 62a_100000210202_200010341283 [0,2,0,0,0,0|1,1,0]=4 6221 B13R1.3981 CCSc1cc(cc(c1F)F)C=O 62a_200010341283_100000210202 [0,2,0,0,0,0|1,1,0]=4 6222 B13R1.3981 CCSc1cc(cc(c1O)F)C=O 62a_100000210202_100010295671 [0,2,0,0,0,0|0,1,0]=3 6223 B13R1.3981 CCSc1cc(cc(c1O)F)C=O 62a_100010295671_100000210202 [0,2,0,0,0,0|0,1,0]=3 6224 B13R1.3981 CCSc1cc(cc(c1O)O)C=O 62a_100000210202_100000687232 [0,2,0,0,0,0|0,1,0]=3 6225 B13R1.3981 Cc1c(cc(cc1SCF)C=O)F 62a_100010132949_100015361967 [0,2,0,0,0,0|1,1,0]=4 6226 B13R1.3981 Cc1c(cc(cc1SCF)C=O)F 62a_100015361967_100010132949 [0,2,0,0,0,0|1,1,0]=4 6227 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)Br 62a_100010270029_100015361967 [0,2,0,0,0,0|1,1,0]=4 6228 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)Br 62a_100015361967_100010270029 [0,2,0,0,0,0|1,1,0]=4 6229 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)F 62a_100015361967_200010341283 [0,2,0,0,0,0|1,1,0]=4 6230 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)F 62a_200010341283_100015361967 [0,2,0,0,0,0|1,1,0]=4 6231 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)F 62a_100010295671_100015361967 [0,2,0,0,0,0|0,1,0]=3 6232 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)F 62a_100015361967_100010295671 [0,2,0,0,0,0|0,1,0]=3 6233 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)O 62a_100015361967_100000687232 [0,2,0,0,0,0|0,1,0]=3 6234 B13R1.4021 CC=Cc1c(ccc(c1F)C=O)F 271570a_100016259895_100000050342 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.4021 CCSc1c(ccc(c1F)C=O)C 62a_100000210202_100010381662 [0,2,0,0,0,0|1,1,0]=4 6236 B13R1.4021 CCSc1c(ccc(c1F)C=O)C 62a_100010381662_100000210202 [0,2,0,0,0,0|1,1,0]=4 6237 B13R1.4021 CCSc1c(ccc(c1F)C=O)F 62a_100000050342_100000210202 [0,2,0,0,0,0|1,1,0]=4 6238 B13R1.4021 CCSc1c(ccc(c1F)C=O)F 62a_100000210202_100000050342 [0,2,0,0,0,0|1,1,0]=4 6239 B13R1.4021 Cc1ccc(c(c1SCF)F)C=O 62a_100010381662_100015361967 [0,2,0,0,0,0|1,1,0]=4 6240 B13R1.4021 Cc1ccc(c(c1SCF)F)C=O 62a_100015361967_100010381662 [0,2,0,0,0,0|1,1,0]=4 6241 B13R1.4021 O=Cc1ccc(c(c1F)SCF)F 62a_100000050342_100015361967 [0,2,0,0,0,0|1,1,0]=4 6242 B13R1.4021 O=Cc1ccc(c(c1F)SCF)F 62a_100015361967_100000050342 [0,2,0,0,0,0|1,1,0]=4 6243 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,2,0,0,0,0|1,0,1]=4 6244 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,2,0,0,0,0|0,1,0]=3 6245 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,2,0,0,0,0|0,1,0]=3 6246 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000739390_200025704644 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000739390_200025704644 [0,2,0,0,0,0|2,0,0]=4 6250 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100000742996_200025704644 [0,2,0,0,0,0|2,0,0]=4 6251 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_106454645589_200025704644 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,2,0,0,0,0|1,0,0]=3 6253 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,2,0,0,0,0|1,0,0]=3 6254 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011221169 [0,2,0,0,0,0|1,1,0]=4 6255 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])F 62a_200025704644_100012348134 [0,2,0,0,0,0|1,1,0]=4 6256 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.52 CC(=O)Oc1ccc(c(c1)S[13CH3])C 62a_200025704644_200025702335 [0,2,0,0,0,0|1,1,0]=4 6258 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 11a_100010109747_100015343762 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 1626a_100010109747_100015343762 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 22a_100010109747_100000070787 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 527a_100010109747_100103153847 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.52 CNc1cc(ccc1C)NC(=O)C 34a_100000739390_200000210301 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.52 CNc1cc(ccc1C)NC(=O)C 7a_100000739390_200000210301 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.52 CNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_200000210301 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.52 CNc1cc(ccc1F)NC(=O)C 34a_106454645589_200000210301 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,2,0,0,0,0|1,0,0]=3 6269 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,2,0,0,0,0|1,0,0]=3 6270 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,2,0,0,0,0|1,0,0]=3 6271 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,2,0,0,0,0|1,0,0]=3 6272 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,2,0,0,0,0|1,0,0]=3 6273 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,2,0,0,0,0|1,0,0]=3 6274 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,2,0,0,0,0|1,0,0]=3 6275 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,2,0,0,0,0|2,0,0]=4 6276 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,2,0,0,0,0|1,0,0]=3 6277 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,2,0,0,0,0|1,0,0]=3 6278 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,2,0,0,0,0|1,0,0]=3 6279 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,2,0,0,0,0|1,0,0]=3 6280 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,2,0,0,0,0|1,0,0]=3 6282 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,2,0,0,0,0|1,0,0]=3 6283 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,2,0,0,0,0|1,0,0]=3 6284 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,2,0,0,0,0|1,0,0]=3 6285 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,2,0,0,0,0|1,0,0]=3 6286 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,2,0,0,0,0|1,0,0]=3 6287 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,2,0,0,0,0|1,0,0]=3 6288 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,2,0,0,0,0|2,0,0]=4 6289 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,2,0,0,0,0|1,0,0]=3 6290 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,2,0,0,0,0|1,0,0]=3 6291 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,2,0,0,0,0|1,0,0]=3 6292 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,2,0,0,0,0|1,0,0]=3 6293 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,2,0,0,0,0|1,0,0]=3 6294 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,2,0,0,0,0|1,0,0]=3 6295 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,2,0,0,0,0|1,0,0]=3 6296 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,2,0,0,0,0|1,0,0]=3 6297 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,2,0,0,0,0|1,0,0]=3 6298 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,2,0,0,0,0|1,0,0]=3 6299 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,2,0,0,0,0|1,0,0]=3 6300 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,2,0,0,0,0|2,0,0]=4 6301 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,2,0,0,0,0|1,0,0]=3 6302 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,2,0,0,0,0|0,0,0]=2 6303 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,2,0,0,0,0|0,0,0]=2 6304 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,2,0,0,0,0|0,0,0]=2 6305 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,2,0,0,0,0|0,0,0]=2 6306 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [0,2,0,0,0,0|1,0,1]=4 6307 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [0,2,0,0,0,0|1,0,1]=4 6308 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.52 CSc1cc(ccc1C)NC(=O)C 62a_200000210301_100011221169 [0,2,0,0,0,0|1,1,0]=4 6311 B13R1.52 CSc1cc(ccc1C)OC(=O)C 62a_200000210301_200025702335 [0,2,0,0,0,0|1,1,0]=4 6312 B13R1.52 CSc1cc(ccc1F)NC(=O)C 62a_200000210301_100012348134 [0,2,0,0,0,0|1,1,0]=4 6313 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,2,0,0,0,0|0,1,0]=3 6314 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,2,0,0,0,0|0,1,0]=3 6315 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.387 C=C=Cc1ccc(c(c1)C(C)C)O 271570a_100015277604_100000691460 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O 271570a_100016259895_100000691460 [0,2,0,0,0,0|2,0,0]=4 6319 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,2,0,0,0,0|1,0,1]=4 6320 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,2,0,0,0,0|1,0,1]=4 6321 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,2,0,0,0,0|2,0,0]=4 6328 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,2,0,0,0,0|1,0,0]=3 6331 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,2,0,0,0,0|2,0,0]=4 6332 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,2,0,0,0,0|2,0,0]=4 6333 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,2,0,0,0,0|2,0,0]=4 6334 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,2,0,0,0,0|2,0,0]=4 6336 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,2,0,0,0,0|2,0,0]=4 6337 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,2,0,0,0,0|2,0,0]=4 6338 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,2,0,0,0,0|2,0,0]=4 6339 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,2,0,0,0,0|2,0,0]=4 6344 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,2,0,0,0,0|2,0,0]=4 6345 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,2,0,0,0,0|2,0,0]=4 6346 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,2,0,0,0,0|2,0,0]=4 6347 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,2,0,0,0,0|2,0,0]=4 6349 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,2,0,0,0,0|2,0,0]=4 6352 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,2,0,0,0,0|1,0,0]=3 6353 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [0,2,0,0,0,0|2,0,0]=4 6354 B13R1.575 CC=NNc1ccc(c(c1)OC)F 4a_102515433066_200000210099 [0,2,0,0,0,0|2,0,0]=4 6355 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,2,0,0,0,0|1,0,1]=4 6356 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,2,0,0,0,0|1,0,1]=4 6357 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,2,0,0,0,0|1,0,1]=4 6358 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,2,0,0,0,0|1,0,1]=4 6359 B13R1.575 CCc1cc(ccc1Br)NCC=O 2230a_100010109747_200015260668 [0,2,0,0,0,0|2,0,0]=4 6360 B13R1.575 CCc1cc(ccc1Br)NCC=O 34a_100010109747_200009817547 [0,2,0,0,0,0|2,0,0]=4 6361 B13R1.575 CCc1cc(ccc1Br)NCC=O 7a_100010109747_200015260668 [0,2,0,0,0,0|2,0,0]=4 6362 B13R1.575 CCc1cc(ccc1Br)SCC=O 62a_100010244631_200015260668 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.575 CCc1cc(ccc1Br)SCC=O 62a_200015260668_100010244631 [0,2,0,0,0,0|2,0,0]=4 6364 B13R1.575 CCc1cc(ccc1Cl)OCC=O 34a_100000212063_200009817547 [0,2,0,0,0,0|2,0,0]=4 6365 B13R1.575 CCc1cc(ccc1Cl)OCC=O 7a_100000212063_200015260668 [0,2,0,0,0,0|2,0,0]=4 6366 B13R1.575 CCc1cc(ccc1F)SCC=O 62a_100010244625_200015260668 [0,2,0,0,0,0|2,0,0]=4 6367 B13R1.575 CCc1cc(ccc1F)SCC=O 62a_200015260668_100010244625 [0,2,0,0,0,0|2,0,0]=4 6368 B13R1.575 CCc1cc(ccc1N)SCC=O 62a_100000686106_200015260668 [0,2,0,0,0,0|2,0,0]=4 6369 B13R1.575 CCc1cc(ccc1N)SCC=O 62a_200015260668_100000686106 [0,2,0,0,0,0|2,0,0]=4 6370 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [0,2,0,0,0,0|1,0,0]=3 6371 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,2,0,0,0,0|1,0,1]=4 6372 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,2,0,0,0,0|1,0,1]=4 6373 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_100020629602_200015260668 [0,2,0,0,0,0|2,0,0]=4 6375 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_200015260668_100020629602 [0,2,0,0,0,0|2,0,0]=4 6376 B13R1.575 CNc1cc(ccc1F)SCC=O 62a_100011314990_200015260668 [0,2,0,0,0,0|2,0,0]=4 6377 B13R1.575 CNc1cc(ccc1F)SCC=O 62a_200015260668_100011314990 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.575 CNc1cc(ccc1N)SCC=O 62a_100000694363_200015260668 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,2,0,0,0,0|0,0,2]=4 6380 B13R1.575 COc1cc(c[nH]c1=O)SCC=O 62a_200015260668_100010125397 [0,2,0,0,0,0|1,0,1]=4 6381 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [0,2,0,0,0,0|1,0,0]=3 6382 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [0,2,0,0,0,0|1,0,0]=3 6383 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,2,0,0,0,0|1,0,0]=3 6384 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,2,0,0,0,0|1,0,0]=3 6385 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [0,2,0,0,0,0|1,0,0]=3 6386 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [0,2,0,0,0,0|1,0,0]=3 6387 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [0,2,0,0,0,0|1,0,0]=3 6388 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [0,2,0,0,0,0|1,0,0]=3 6389 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,2,0,0,0,0|1,0,0]=3 6390 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,2,0,0,0,0|1,0,0]=3 6391 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [0,2,0,0,0,0|1,0,0]=3 6392 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [0,2,0,0,0,0|1,0,0]=3 6393 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [0,2,0,0,0,0|1,0,0]=3 6394 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [0,2,0,0,0,0|1,0,0]=3 6395 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,2,0,0,0,0|1,0,0]=3 6396 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,2,0,0,0,0|1,0,0]=3 6397 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [0,2,0,0,0,0|1,0,0]=3 6398 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [0,2,0,0,0,0|1,0,0]=3 6399 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [0,2,0,0,0,0|1,0,0]=3 6400 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [0,2,0,0,0,0|1,0,0]=3 6401 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,2,0,0,0,0|1,0,0]=3 6402 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,2,0,0,0,0|1,0,0]=3 6403 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [0,2,0,0,0,0|1,0,0]=3 6404 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [0,2,0,0,0,0|1,0,0]=3 6405 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [0,2,0,0,0,0|1,0,0]=3 6406 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,2,0,0,0,0|1,0,0]=3 6407 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,2,0,0,0,0|1,0,0]=3 6408 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [0,2,0,0,0,0|1,0,0]=3 6409 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [0,2,0,0,0,0|1,0,0]=3 6410 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,2,0,0,0,0|1,0,1]=4 6411 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,2,0,0,0,0|0,1,1]=4 6412 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,2,0,0,0,0|0,1,1]=4 6413 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,2,0,0,0,0|1,0,1]=4 6414 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,2,0,0,0,0|0,0,0]=2 6415 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,2,0,0,0,0|1,0,1]=4 6416 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,2,0,0,0,0|0,0,2]=4 6417 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,2,0,0,0,0|0,1,1]=4 6418 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,2,0,0,0,0|1,0,1]=4 6419 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,2,0,0,0,0|0,0,0]=2 6420 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,2,0,0,0,0|1,0,1]=4 6421 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,2,0,0,0,0|0,0,2]=4 6422 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,2,0,0,0,0|0,1,1]=4 6423 B13R1.575 COc1cc(cnc1C)SCC=O 62a_100010254219_200015260668 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.575 COc1cc(cnc1C)SCC=O 62a_200015260668_100010254219 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.575 COc1cc(cnc1F)SCC=O 62a_100010214931_200015260668 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.575 COc1cc(cnc1F)SCC=O 62a_200015260668_100010214931 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.575 COc1cc(cnc1N)SCC=O 62a_106354213024_200015260668 [0,2,0,0,0,0|2,0,0]=4 6428 B13R1.575 COc1cc(cnc1N)SCC=O 62a_200015260668_106354213024 [0,2,0,0,0,0|2,0,0]=4 6429 B13R1.575 COc1cc(ncc1C)SCC=O 62a_100010067687_200015260668 [0,2,0,0,0,0|2,0,0]=4 6430 B13R1.575 COc1cc(ncc1C)SCC=O 62a_200015260668_100010067687 [0,2,0,0,0,0|2,0,0]=4 6431 B13R1.575 COc1cc(ncc1F)SCC=O 62a_200010136270_200015260668 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.575 COc1cc(ncc1F)SCC=O 62a_200015260668_200010136270 [0,2,0,0,0,0|2,0,0]=4 6433 B13R1.575 COc1cc(ncc1N)SCC=O 62a_100009887741_200015260668 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.575 COc1cc(ncc1N)SCC=O 62a_200015260668_100009887741 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.575 COc1nc(ccc1N)SCC=O 62a_100000687816_200015260668 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.575 COc1nc(ccc1N)SCC=O 62a_200015260668_100000687816 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [0,2,0,0,0,0|1,0,0]=3 6438 B13R1.575 COc1nc(cnc1O)SCC=O 62a_200010365344_200015260668 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.575 COc1nc(cnc1O)SCC=O 62a_200015260668_200010365344 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.575 CSc1cc(ccc1F)SCC=O 62a_100010341305_200015260668 [0,2,0,0,0,0|1,1,0]=4 6441 B13R1.575 CSc1cc(ccc1F)SCC=O 62a_200015260668_100010341305 [0,2,0,0,0,0|1,1,0]=4 6442 B13R1.575 N#Cc1cc(ccc1O)NCC=O 34a_100011249283_200009817547 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.575 N#Cc1cc(ccc1O)SCC=O 62a_200015260668_100000687585 [0,2,0,0,0,0|2,0,0]=4 6444 B13R1.575 NCc1cc(ccc1O)SCC=O 62a_100000730032_200015260668 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.575 NCc1cc(ccc1O)SCC=O 62a_200015260668_100000730032 [0,2,0,0,0,0|2,0,0]=4 6446 B13R1.575 O=CCSc1ccc(c(c1)C=O)O 62a_200015260668_100000186750 [0,2,0,0,0,0|2,0,0]=4 6447 B13R1.575 O=CCSc1ccc(c(c1)CO)O 62a_100000184703_200015260668 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.575 O=CCSc1ccc(c(c1)CO)O 62a_200015260668_100000184703 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)Cl 271570a_100015277604_200135222481 [0,2,0,0,0,0|2,0,0]=4 6450 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)N 271570a_100015277604_100010734149 [0,2,0,0,0,0|2,0,0]=4 6451 B13R1.1255 CC=Cc1ccc(c(c1F)OC)Cl 271570a_100016259895_200135222481 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N 271570a_100016259895_100010734149 [0,2,0,0,0,0|2,0,0]=4 6453 B13R1.4030 C=C=Cc1cc(c(c(c1)CC)O)C 271570a_100015277604_100010659108 [0,2,0,0,0,0|2,0,0]=4 6454 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)C 271570a_100015277604_100010271686 [0,2,0,0,0,0|2,0,0]=4 6455 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)F 271570a_100015277604_100011218012 [0,2,0,0,0,0|2,0,0]=4 6456 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)O 271570a_100015277604_200015524394 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)N)C 271570a_100015277604_100000741850 [0,2,0,0,0,0|2,0,0]=4 6458 B13R1.4030 CC=Cc1cc(c(c(c1)CC)O)C 271570a_100016259895_100010659108 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)C 271570a_100016259895_100010271686 [0,2,0,0,0,0|2,0,0]=4 6460 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)F 271570a_100016259895_100011218012 [0,2,0,0,0,0|2,0,0]=4 6461 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)O 271570a_100016259895_200015524394 [0,2,0,0,0,0|2,0,0]=4 6462 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C 271570a_100016259895_100000741850 [0,2,0,0,0,0|2,0,0]=4 6463 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [0,2,0,0,0,0|1,0,1]=4 6464 B13R1.4030 COc1cc(cc(c1O)O)SCF 62a_100015361967_200159242197 [0,2,0,0,0,0|1,0,1]=4 6465 B13R1.424 CSc1c(c(cc(c1F)C=O)F)F 62a_100009864613_200000210301 [0,2,0,0,0,0|1,1,0]=4 6466 B13R1.424 CSc1c(c(cc(c1F)C=O)F)F 62a_200000210301_100009864613 [0,2,0,0,0,0|1,1,0]=4 6467 B13R1.424 [13CH3]Sc1c(c(cc(c1F)C=O)F)F 62a_100009864613_200025704644 [0,2,0,0,0,0|1,1,0]=4 6468 B13R1.424 [13CH3]Sc1c(c(cc(c1F)C=O)F)F 62a_200025704644_100009864613 [0,2,0,0,0,0|1,1,0]=4 6469 B13R1.433 C=Cc1cc(c(c(c1)OC)F)OC 271570a_100011290941_100015304952 [0,2,0,0,0,0|2,0,0]=4 6470 B13R1.433 C=Cc1cc(c(c(c1)OC)N)C#N 271570a_100011290941_200010734157 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.433 C=Cc1cc(c(c(c1)OC)N)CO 271570a_100011290941_100010235085 [0,2,0,0,0,0|2,0,0]=4 6472 B13R1.433 C=Cc1cc(c(c(c1)OC)O)CO 271570a_100011290941_100000185604 [0,2,0,0,0,0|1,0,0]=3 6473 B13R1.433 C=Cc1cc(c(c(c1)OC)O)OC 271570a_100011290941_100000691893 [0,2,0,0,0,0|1,0,0]=3 6474 B13R1.433 C=Cc1cc(cc(c1O)OC)C#N 271570a_100011290941_100000188612 [0,2,0,0,0,0|1,0,1]=4 6475 B13R1.433 C=Cc1cc(cc(c1O)OC)C=O 271570a_100011290941_100000184534 [0,2,0,0,0,0|0,0,0]=2 6476 B13R1.433 C=Cc1cc(cc(c1O)OC)CO 271570a_100011290941_200000022573 [0,2,0,0,0,0|0,0,2]=4 6477 B13R1.433 COc1cc(c(c(c1)OC)O)OC 271570a_203496583355_100000186544 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.433 COc1cc(cc(c1O)C=O)SC 62a_200000210301_100000047136 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.433 COc1cc(cc(c1O)C=O)S[13CH3] 62a_200025704644_100000047136 [0,2,0,0,0,0|2,0,0]=4 6480 B13R1.433 COc1cc(cc(c1O)CO)SC 62a_200000210301_100000185604 [0,2,0,0,0,0|2,0,0]=4 6481 B13R1.433 COc1cc(cc(c1O)CO)S[13CH3] 62a_200025704644_100000185604 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.433 COc1cc(cc(c1O)OC)CO 271570a_203496583355_100010169844 [0,2,0,0,0,0|0,0,2]=4 6483 B13R1.433 COc1cc(cc(c1O)SC)C#N 62a_200000210301_100000188612 [0,2,0,0,0,0|1,0,1]=4 6484 B13R1.433 COc1cc(cc(c1O)SC)C=O 62a_200000210301_100000184534 [0,2,0,0,0,0|0,0,0]=2 6485 B13R1.433 COc1cc(cc(c1O)SC)CO 62a_200000210301_200000022573 [0,2,0,0,0,0|0,0,2]=4 6486 B13R1.433 COc1cc(cc(c1O)S[13CH3])C#N 62a_200025704644_100000188612 [0,2,0,0,0,0|1,0,1]=4 6487 B13R1.433 COc1cc(cc(c1O)S[13CH3])C=O 62a_200025704644_100000184534 [0,2,0,0,0,0|0,0,0]=2 6488 B13R1.433 COc1cc(cc(c1O)S[13CH3])CO 62a_200025704644_200000022573 [0,2,0,0,0,0|0,0,2]=4 6489 B13R1.437 C=C(C)c1cc(cc(c1C)F)C=O 271570a_100000694244_100010132949 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.437 C=C(C)c1cc(cc(c1F)Br)C=O 271570a_100000694244_100010270029 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.437 C=C(C)c1cc(cc(c1F)F)C=O 271570a_100000694244_200010341283 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.437 C=C(C)c1cc(cc(c1O)F)C=O 271570a_100000694244_100010295671 [0,2,0,0,0,0|1,0,0]=3 6493 B13R1.98 C=Cc1ccc(c(c1)C(C)(C)C)O 271570a_100011290941_100000704011 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.98 C=Cc1ccc(c(c1)S(=O)(=O)C)O 271570a_100011290941_200015712519 [0,2,0,0,0,0|1,1,0]=4 6495 B13R1.98 O=Cc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100000036162 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.3097 C=C(C)c1c(ccc(c1F)C=O)F 271570a_100000694244_100000050342 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.2277 COc1ccc(c(c1OC)OC)O 271570a_203496583355_100011320274 [0,2,0,0,0,0|2,0,0]=4 6498 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,0,1,1,0,0|1,0,0]=3 6499 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,0,1,1,0,0|2,0,0]=4 6500 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [0,0,1,1,0,0|2,0,0]=4 6501 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,0,1,1,0,0|1,0,1]=4 6502 B11R1.44 C=Cc1ccc(o1)C(=O)OC 271570a_100011290941_100000148852 [0,0,1,1,0,0|2,0,0]=4 6503 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,0,1,1,0,0|2,0,0]=4 6504 B11R1.83 CC=Cc1ccc(cn1)C=O 271570a_100016259895_100000766901 [0,0,1,1,0,0|2,0,0]=4 6505 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,0,1,1,0,0|1,0,1]=4 6506 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,1,0,0|1,0,1]=4 6507 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,1]=4 6508 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,1,0,0|0,0,1]=3 6509 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|2,0,0]=4 6510 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,1,0,1,0,0|2,0,0]=4 6511 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,1,0,0|2,0,0]=4 6512 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|1,0,0]=3 6513 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,1,0,0|2,0,0]=4 6514 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|1,0,0]=3 6515 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|0,0,0]=2 6516 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,1,0,0|1,0,1]=4 6517 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,1,0,0|1,0,1]=4 6518 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,1,0,0|1,0,1]=4 6519 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,1,0,1,0,0|1,0,1]=4 6520 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,1,0,0|2,0,0]=4 6521 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|1,0,0]=3 6522 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|0,0,0]=2 6523 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,1,0,0|1,0,1]=4 6524 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,1,0,0|1,0,1]=4 6525 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,1,0,0|1,0,1]=4 6526 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,1,0,1,0,0|1,0,1]=4 6527 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,1,0,1,0,0|1,0,1]=4 6528 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,1,0,1,0,0|2,0,0]=4 6529 B13R2.57 C=Cc1ccc2c(c1)COCC2 271570a_100011290941_100010128096 [0,1,0,1,0,0|2,0,0]=4 6530 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [0,1,0,1,0,0|2,0,0]=4 6531 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,1,0,1,0,0|2,0,0]=4 6532 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [0,1,0,1,0,0|2,0,0]=4 6533 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,1,0,1,0,0|1,0,0]=3 6534 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,1,0,1,0,0|2,0,0]=4 6535 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,1,0,1,0,0|2,0,0]=4 6536 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,1,0,1,0,0|2,0,0]=4 6537 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,1,0,1,0,0|2,0,0]=4 6538 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,1,0,1,0,0|2,0,0]=4 6539 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,1,0,1,0,0|2,0,0]=4 6540 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,1,0,1,0,0|2,0,0]=4 6541 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,1,0,1,0,0|2,0,0]=4 6542 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,1,0,1,0,0|2,0,0]=4 6543 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,1,0,1,0,0|2,0,0]=4 6544 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,1,0,1,0,0|2,0,0]=4 6545 B13R2.669 C=Cc1ccc2occ(c2c1)C 271570a_100011290941_100000728893 [0,1,0,1,0,0|2,0,0]=4 6546 B13R2.669 C=Cc1ccc2onc(c2c1)C 271570a_100011290941_100010196875 [0,1,0,1,0,0|2,0,0]=4 6547 B13R2.2130 C=Cc1ccc2c(c1)CCC2O 271570a_100011290941_100000747877 [0,1,0,1,0,0|2,0,0]=4 6548 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|1,0,1]=4 6549 B13R2.2130 C=Cc1ccc2c(c1)OCC2N 271570a_100011290941_100020628175 [0,1,0,1,0,0|2,0,0]=4 6550 B13R2.2130 C=Cc1ccc2c(noc2c1)O 271570a_100011290941_100000727085 [0,1,0,1,0,0|2,0,0]=4 6551 B13R2.2130 O=Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100010231508 [0,1,0,1,0,0|2,0,0]=4 6552 B13R2.611 C=Cc1ccc(c2c1cco2)O 271570a_100011290941_200020711608 [0,1,0,1,0,0|1,0,1]=4 6553 B13R2.611 O=Cc1ccc(c2c1nsn2)O 271570a_203496583355_100010761824 [0,1,0,1,0,0|1,1,0]=4 6554 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [0,1,0,1,0,0|2,0,0]=4 6555 B13R2.2121 C=Cc1ccc2oc(nc2c1)C 271570a_100011290941_100009816932 [0,1,0,1,0,0|2,0,0]=4 6556 B13R2.2169 Cc1ccc(cc1C2CC2)C=O 271570a_100011220607_100000695567 [0,1,0,1,0,0|2,0,0]=4 6557 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100010146563 [0,1,0,1,0,0|2,0,0]=4 6558 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100010209939 [0,1,0,1,0,0|2,0,0]=4 6559 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000211747 [0,1,0,1,0,0|2,0,0]=4 6560 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000184552 [0,1,0,1,0,0|1,0,0]=3 6561 B13R2.2169 O=Cc1cnc(c(c1)C2CC2)O 271570a_100011220607_100010064886 [0,1,0,1,0,0|2,0,0]=4 6562 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,1,0,1,0,0|2,0,0]=4 6563 B13R2.121 COc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010174914 [0,1,0,1,0,0|2,0,0]=4 6564 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,1,0,1,0,0|2,0,0]=4 6565 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [0,1,0,1,0,0|2,0,0]=4 6566 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,1,0,1,0,0|1,0,0]=3 6567 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,1,0,1,0,0|2,0,0]=4 6568 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,1,0,1,0,0|2,0,0]=4 6569 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,1,0,1,0,0|1,0,0]=3 6570 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,1,0,1,0,0|1,0,1]=4 6571 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,1,0,1,0,0|1,0,1]=4 6572 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,1,0,1,0,0|1,0,1]=4 6573 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,1,0,1,0,0|1,0,1]=4 6574 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,1,0,1,0,0|1,0,1]=4 6575 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,1,0,1,0,0|1,0,1]=4 6576 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,1,0,1,0,0|1,0,1]=4 6577 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,1,0,0|0,0,2]=4 6578 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,1,0,0|0,0,2]=4 6579 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,1,0,1,0,0|1,0,1]=4 6580 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,1,0,1,0,0|1,0,1]=4 6581 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,1,0,1,0,0|1,0,1]=4 6582 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,1,0,1,0,0|1,0,1]=4 6583 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,1,0,0|0,0,2]=4 6584 B13R2.599 C=Cc1cc2c(cc1N)OCO2 271570a_100011290941_100012557033 [0,1,0,1,0,0|1,0,0]=3 6585 B13R2.599 C=Cc1cc2c(cc1O)OCO2 271570a_100011290941_100010290809 [0,1,0,1,0,0|1,0,0]=3 6586 B13R2.599 CNc1cc2c(cc1C)OCO2 2230a_100000066439_200000210301 [0,1,0,1,0,0|2,0,0]=4 6587 B13R2.599 CNc1cc2c(cc1C)OCO2 34a_100000066439_200000210301 [0,1,0,1,0,0|2,0,0]=4 6588 B13R2.599 CNc1cc2c(cc1Cl)OCO2 34a_100000234339_200000210301 [0,1,0,1,0,0|2,0,0]=4 6589 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,1,0,1,0,0|1,0,0]=3 6590 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,1,0,1,0,0|1,0,0]=3 6591 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [0,1,0,1,0,0|2,0,0]=4 6592 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [0,1,0,1,0,0|2,0,0]=4 6593 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [0,1,0,1,0,0|2,0,0]=4 6594 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [0,1,0,1,0,0|2,0,0]=4 6595 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,1,0,1,0,0|1,0,0]=3 6596 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,1,0,1,0,0|1,0,0]=3 6597 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,1,0,1,0,0|2,0,0]=4 6598 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [0,1,0,1,0,0|2,0,0]=4 6599 B13R2.599 CSc1cc2c(cc1N)OCO2 62a_100012557033_200000210301 [0,1,0,1,0,0|2,0,0]=4 6600 B13R2.599 CSc1cc2cn[nH]c2cc1O 62a_200000210301_100010079831 [0,1,0,1,0,0|1,1,0]=4 6601 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 2230a_100000066439_200025704644 [0,1,0,1,0,0|2,0,0]=4 6602 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 34a_100000066439_200025704644 [0,1,0,1,0,0|2,0,0]=4 6603 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [0,1,0,1,0,0|2,0,0]=4 6604 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [0,1,0,1,0,0|2,0,0]=4 6605 B13R2.599 NCc1cc2c(cc1O)OCO2 271570a_203496583355_200011199097 [0,1,0,1,0,0|1,0,1]=4 6606 B13R2.599 O=Cc1cc2c(cc1O)OCO2 271570a_203496583355_100000186749 [0,1,0,1,0,0|0,0,0]=2 6607 B13R2.599 OCc1cc2c(cc1O)OCO2 271570a_203496583355_100000187691 [0,1,0,1,0,0|0,0,2]=4 6608 B13R2.599 [13CH3]Nc1cc2c(cc1Cl)OCO2 34a_100000234339_200025704644 [0,1,0,1,0,0|2,0,0]=4 6609 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [0,1,0,1,0,0|2,0,0]=4 6610 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [0,1,0,1,0,0|2,0,0]=4 6611 B13R2.599 [13CH3]Sc1cc2c(cc1N)OCO2 62a_100012557033_200025704644 [0,1,0,1,0,0|2,0,0]=4 6612 B13R2.599 [13CH3]Sc1cc2cn[nH]c2cc1O 62a_200025704644_100010079831 [0,1,0,1,0,0|1,1,0]=4 6613 B13R2.654 O=Cc1cc(c2c(c1)CCO2)O 271570a_203496583355_100009816904 [0,1,0,1,0,0|1,0,0]=3 6614 B13R2.654 O=Cc1cc(c2c(c1)OCO2)O 271570a_203496583355_100000682445 [0,1,0,1,0,0|0,0,0]=2 6615 B13R2.84 C=Cc1ccc2c(c1C)OCO2 271570a_100011290941_100010335860 [0,1,0,1,0,0|1,0,0]=3 6616 B13R2.84 C=Cc1ccc2c(c1F)OCO2 271570a_100011290941_100010223184 [0,1,0,1,0,0|1,0,0]=3 6617 B13R2.84 CSc1ccc2c(c1C)OCO2 62a_100010335860_200000210301 [0,1,0,1,0,0|2,0,0]=4 6618 B13R2.84 CSc1ccc2c(c1F)OCO2 62a_100010223184_200000210301 [0,1,0,1,0,0|2,0,0]=4 6619 B13R2.84 Cc1c(ccc2c1OCO2)S[13CH3] 62a_100010335860_200025704644 [0,1,0,1,0,0|2,0,0]=4 6620 B13R2.84 [13CH3]Sc1ccc2c(c1F)OCO2 62a_100010223184_200025704644 [0,1,0,1,0,0|2,0,0]=4 6621 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [1,0,0,0,1,0|1,1,0]=4 6622 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [1,0,0,0,1,0|1,1,0]=4 6623 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [1,0,0,0,1,0|1,1,0]=4 6624 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [1,0,0,0,1,0|1,1,0]=4 6625 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [1,0,0,0,1,0|1,1,0]=4 6626 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [1,0,0,0,1,0|1,1,0]=4 6627 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [1,0,0,0,1,0|1,1,0]=4 6628 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [1,0,0,0,1,0|1,1,0]=4 6629 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [1,0,0,0,1,0|1,1,0]=4 6630 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [1,0,0,0,1,0|1,1,0]=4 6631 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [1,0,0,0,1,0|1,1,0]=4 6632 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [1,0,0,0,1,0|1,1,0]=4 6633 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [1,0,0,0,1,0|1,1,0]=4 6634 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [1,0,0,0,1,0|1,1,0]=4 6635 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [1,0,0,0,1,0|1,1,0]=4 6636 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [1,0,0,0,1,0|1,1,0]=4 6637 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,0,0,0,1,0|1,1,0]=4 6638 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,0,0,0,1,0|1,1,0]=4 6639 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,0,0,0,1,0|1,1,0]=4 6640 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,0,0,0,1,0|1,1,0]=4 6641 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,0,0,0,1,0|1,1,0]=4 6642 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,0,0,0,1,0|1,1,0]=4 6643 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,0,0,0,1,0|1,1,0]=4 6644 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,0,0,0,1,0|1,1,0]=4 6645 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,0,0,0,1,0|1,1,0]=4 6646 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,0,0,0,1,0|1,1,0]=4 6647 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,0,0,0,1,0|1,1,0]=4 6648 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,0,0,0,1,0|1,1,0]=4 6649 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,0,0,0,1,0|1,1,0]=4 6650 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,0,0,0,1,0|1,1,0]=4 6651 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,0,0,0,1,0|1,1,0]=4 6652 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,0,0,0,1,0|1,1,0]=4 6653 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,0,0,0,1,0|1,1,0]=4 6654 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,0,0,0,1,0|1,1,0]=4 6655 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,0,0,0,1,0|1,1,0]=4 6656 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,0,0,0,1,0|1,1,0]=4 6657 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,0,0,0,1,0|1,1,0]=4 6658 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,0,0,0,1,0|1,1,0]=4 6659 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,0,0,0,1,0|1,1,0]=4 6660 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,0,0,0,1,0|1,1,0]=4 6661 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,0,0,0,1,0|1,1,0]=4 6662 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,0,0,0,1,0|1,1,0]=4 6663 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,0,0,0,1,0|1,1,0]=4 6664 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,0,0,0,1,0|1,1,0]=4 6665 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,0,0,0,1,0|1,0,0]=3 6666 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,0,0,0,1,0|1,0,0]=3 6667 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [1,0,0,0,1,0|2,0,0]=4 6668 B11R1.265 C=Cc1c(cccc1C=O)O 271570a_100011290941_100009816417 [0,0,0,0,1,1|1,0,1]=4 6669 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [0,0,0,0,1,1|2,0,0]=4 6670 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,0,0,0,1,1|2,0,0]=4 6671 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [0,0,0,0,1,1|2,0,0]=4 6672 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [0,0,0,0,1,1|2,0,0]=4 6673 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [0,0,0,0,1,1|2,0,0]=4 6674 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,0,0,0,1,1|1,0,0]=3 6675 B11R1.265 C=Cc1ccnc(c1OC)C 271570a_100011290941_100000685116 [0,0,0,0,1,1|2,0,0]=4 6676 B11R1.265 C=Cc1ccnc(c1OC)Cl 271570a_100011290941_100010068014 [0,0,0,0,1,1|2,0,0]=4 6677 B11R1.265 C=Cc1ccnc(c1OC)N 271570a_100011290941_100009880012 [0,0,0,0,1,1|2,0,0]=4 6678 B11R1.265 C=Cc1cncc(c1OC)N 271570a_100011290941_100012359933 [0,0,0,0,1,1|2,0,0]=4 6679 B11R1.265 C=Cc1nccc(c1OC)N 271570a_100011290941_100000104429 [0,0,0,0,1,1|2,0,0]=4 6680 B11R1.265 C=Cc1nccc(c1OC)O 271570a_100011290941_100000104430 [0,0,0,0,1,1|1,0,0]=3 6681 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [0,0,0,0,1,1|1,0,1]=4 6682 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [0,0,0,0,1,1|0,0,0]=2 6683 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [0,0,0,0,1,1|0,0,2]=4 6684 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [0,0,0,0,1,1|2,0,0]=4 6685 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [0,0,0,0,1,1|2,0,0]=4 6686 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [0,0,0,0,1,1|0,0,2]=4 6687 B11R1.265 COc1c(ccnc1O)C=O 271570a_203496583355_200009814792 [0,0,0,0,1,1|0,0,0]=2 6688 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [0,0,0,0,1,1|2,0,0]=4 6689 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [0,0,0,0,1,1|2,0,0]=4 6690 B11R1.265 COc1c(cncc1C#N)O 271570a_203496583355_100016142170 [0,0,0,0,1,1|1,0,1]=4 6691 B11R1.265 COc1c(cncc1C=O)O 271570a_203496583355_100015834815 [0,0,0,0,1,1|0,0,0]=2 6692 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [0,0,0,0,1,1|2,0,0]=4 6693 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [0,0,0,0,1,1|1,1,0]=4 6694 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [0,0,0,0,1,1|1,1,0]=4 6695 B11R1.265 CSc1c(cccc1C=O)F 62a_100011934749_200000210301 [0,0,0,0,1,1|1,1,0]=4 6696 B11R1.265 CSc1c(cccc1C=O)F 62a_200000210301_100011934749 [0,0,0,0,1,1|1,1,0]=4 6697 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [0,0,0,0,1,1|0,1,0]=3 6698 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [0,0,0,0,1,1|0,1,0]=3 6699 B11R1.265 CSc1c(ccnc1F)C=O 62a_100009856171_200000210301 [0,0,0,0,1,1|1,1,0]=4 6700 B11R1.265 CSc1c(ccnc1F)C=O 62a_200000210301_100009856171 [0,0,0,0,1,1|1,1,0]=4 6701 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [0,0,0,0,1,1|1,1,0]=4 6702 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [0,0,0,0,1,1|1,1,0]=4 6703 B11R1.265 N#Cc1c(cccc1C=O)O 271570a_203496583355_100000100183 [0,0,0,0,1,1|2,0,0]=4 6704 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_100011934749_200025704644 [0,0,0,0,1,1|1,1,0]=4 6705 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_200025704644_100011934749 [0,0,0,0,1,1|1,1,0]=4 6706 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [0,0,0,0,1,1|0,1,0]=3 6707 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [0,0,0,0,1,1|0,1,0]=3 6708 B11R1.265 [13CH3]Sc1c(ccnc1F)C=O 62a_100009856171_200025704644 [0,0,0,0,1,1|1,1,0]=4 6709 B11R1.265 [13CH3]Sc1c(ccnc1F)C=O 62a_200025704644_100009856171 [0,0,0,0,1,1|1,1,0]=4