0 B10R1.3 C#CC1=CC=C(C=C1)C#N Z1069202674 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.3 C#CC1=CC=C(C=C1)C=O Z1203159515 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.3 C#CC1=CC=C(C=C1)CC Z1080385542 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.3 C#CC1=CC=C(C=C1)CO Z1255489573 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.3 C#CC1=NC=C(C=C1)C=O Z1255384622 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.3 C#CC1=NC=C(C=C1)OC Z1255436508 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.3 C=CC1=CC=C(C=C1)C=O Z1198150327 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.3 CCC1=CC=C(C=C1)C#N Z57900361 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.3 CCC1=CN=C(C=C1)C=O Z1198235245 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 CCC1=CN=C(N=C1)C=O Z3243083127 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.3 CCC1=NC=C(C=C1)C=O Z1255494858 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.3 CCC1=NC=C(C=N1)C=O Z274575084 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.3 CNC1=CC=C(C=C1)C#N Z331873490 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.3 CNC1=CN=C(C=C1)OC Z335249570 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.3 CNC1=NC=C(C=C1)C#N Z281802064 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.3 CNC1=NC=C(C=C1)OC Z1255359415 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.3 CNC1=NC=C(C=N1)C=O Z274575552 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.3 COC1=CN=C(N=C1)C=O Z1198277529 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.3 COC1=NC=C(C=C1)C#N Z212050236 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.3 COC1=NC=C(C=N1)C=O Z274574980 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.3 COC1=NN=C(C=C1)C=O Z1198278266 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.3 CSC1=CC=C(C=C1)C#N Z57900348 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.3 CSC1=CC=C(C=C1)CCl Z56347089 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.3 CSC1=CC=C(C=C1)CN Z54751956 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.3 CSC1=CN=C(C=C1)C#N Z1498951501 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.3 ClCC1=CC=C(C=C1)CCl Z99600486 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.3 N#CC1=CC=C(C=C1)C=O Z104478052 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.3 N#CC1=CC=C(C=C1)CBr Z56995138 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.3 N#CC1=CC=C(C=C1)CO Z335244916 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.3 N#CC1=CN=C(C=C1)C=O Z1255495682 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.3 N#CC1=CN=C(C=C1)CO Z1198311143 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.3 NCC1=CC=C(C=C1)C=O Z2418414207 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.3 NCC1=CC=C(C=C1)CO Z385458374 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.3 O=CC1=CC=C(C=C1)C=O Z104478582 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.3 O=CC1=CC=C(C=C1)CBr Z1201624503 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.3 O=CC1=CC=C(C=C1)CCl Z1198151895 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.3 O=CC1=CC=C(C=C1)CF Z1255498899 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.1 C=CC1=CN=C(C=C1)Cl Z4879401150 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 C=CC1=CN=C(C=C1)F Z1255363901 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 C=CC1=NC=C(C=C1)C Z1198181628 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.1 CC1=CC=C(C=C1)C#N Z56965882 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.1 CC1=CC=C(C=C1)C=O Z104477698 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.1 CC1=CC=C(C=C1)NN Z56911942 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 CC1=CN=C(C=C1)C=O Z1198172069 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 CC1=NC=C(C=C1)C#N Z362778572 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 CC1=NC=C(C=C1)C=O Z744849420 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 CC1=NC=C(C=C1)CN Z444349734 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 CC1=NC=C(C=N1)C=O Z274575088 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 CC1=NC=C(N=C1)C=O Z1079442402 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 CC1=NN=C(C=C1)C=O Z1198176701 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=CN=C(N=C1)Br Z1255367602 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 CCC1=CN=C(N=C1)Cl Z1255423971 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 CCC1=CN=C(N=C1)N Z1137168329 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CCC1=NC=C(C=N1)N Z381402598 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 CCC1=NC=C(N=C1)Br Z1198319305 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CNC1=NC=C(C=C1)Br Z359297630 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CNC1=NC=C(C=C1)C Z359297596 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.1 CNC1=NC=C(C=C1)Cl Z359297632 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 CNC1=NC=C(C=C1)F Z802823886 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 CSC1=CN=C(C=C1)N Z412025068 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 CSC1=NC=C(C=C1)N Z412022842 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 N#CC1=CC=C(C=C1)Br Z55928801 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.1 N#CC1=CC=C(C=C1)Cl Z56942044 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.1 N#CC1=CC=C(C=C1)I Z57899725 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.1 N#CC1=CC=C(C=C1)N Z57073771 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 NCC1=CN=C(C=C1)Cl Z247612574 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 NCC1=CN=C(C=C1)F Z1198311144 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 NCC1=NC=C(C=C1)Br Z3241254216 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 NCC1=NC=C(C=C1)Cl Z636367336 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 NCC1=NC=C(C=C1)F Z1198277779 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 NCC1=NC=C(C=C1)N Z3244746175 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 NNC1=CC=C(C=C1)Cl Z56776889 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 O=CC1=CC=C(C=C1)Br Z57162109 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 O=CC1=CC=C(C=C1)Cl Z57772447 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 O=CC1=CC=C(C=C1)F Z104472914 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 O=CC1=CC=C(C=C1)I Z57887684 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 O=CC1=CC=C(C=C1)S Z1198150788 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 O=CC1=CN=C(C=C1)O Z1741969170 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 O=CC1=NC=C(C=C1)Br Z1079442796 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 O=CC1=NC=C(C=C1)Cl Z1198177123 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 O=CC1=NC=C(C=C1)F Z1201624239 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 O=CC1=NC=C(C=C1)O Z1741979912 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.3 C#CC1=CC=C(C=C1)C(=O)N Z1203579154 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.3 C=CC1=CC=C(C=C1)B(O)O Z1255403096 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.3 C=CC1=CC=C(C=C1)C(=O)N Z1203578780 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N Z56820417 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.3 CC(=O)C1=CC=C(C=C1)CN Z3018118044 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.3 CC(C)C1=CC=C(C=C1)C#N Z56964596 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.3 CC(C)C1=CC=C(C=C1)C=O Z104476006 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.3 CC(C)C1=CN=C(C=C1)C#N Z1255468507 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.3 CC(C)C1=CN=C(C=C1)CN Z5003080135 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.3 CC(C)C1=CN=C(N=C1)C=O Z1347205914 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.3 CC(C)C1=NC=C(C=C1)C#N Z1255453358 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.3 CC(C)C1=NC=C(C=C1)C=O Z1255402249 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.3 CC(C)C1=NC=C(C=N1)C=O Z274575086 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.3 CC(N)C1=CC=C(C=C1)C#N Z381061562 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.3 CC(N)C1=CC=C(C=C1)CN Z2063791526 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.3 CCC1=CC=C(C=C1)B(O)O Z336079952 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.3 CCC1=CC=C(C=C1)C(=N)N Z1268152427 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.3 CCC1=CC=C(C=C1)C(=O)O Z104478474 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.3 CCC1=CC=C(C=C1)C(=S)N Z57989304 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [0,1,0,0,0,0|0,0,2]=3 155 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [0,1,0,0,0,0|0,0,2]=3 156 B11R1.3 CCC1=CN=C(C=C1)C(=O)O Z3693286572 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.3 CCC1=NC=C(C=C1)C(=O)O Z5589439234 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.3 CN(C)C1=CC=C(C=C1)C#N Z57756572 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.3 CN(C)C1=CC=C(C=C1)C=O Z57127528 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.3 CN(C)C1=CC=C(C=C1)CN Z90122421 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.3 CN(C)C1=CC=C(C=C1)CO Z228585234 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.3 CN(C)C1=CN=C(C=C1)C=O Z1255434290 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.3 CN(C)C1=NC=C(C=C1)C=O Z1162448666 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.3 CNC1=CC=C(C=C1)C(=N)N Z1815149179 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.3 CNC1=CC=C(C=C1)C(=O)N Z744754554 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.3 CNC1=CC=C(C=C1)C(=O)O Z727574068 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.3 CNC1=CN=C(C=C1)C(=O)O Z1498958162 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.3 CNC1=NC=C(C=C1)C(=O)N Z960186538 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.3 CNC1=NC=C(C=C1)C(=O)O Z330796292 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] Z31131411 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.3 COC1=CN=C(C=C1)C(=N)N Z1255420591 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.3 COC1=NC=C(C=C1)C(=N)N Z594272030 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.3 COC1=NC=C(C=C1)C(=O)O Z135188086 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.3 CS(=O)C1=CC=C(C=C1)C=O Z1184878668 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.3 CS(=O)C1=CC=C(C=C1)CN Z1269182102 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.3 CSC1=CC=C(C=C1)B(O)O Z381540922 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.3 CSC1=CC=C(C=C1)C(=N)N Z1267881768 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.3 CSC1=CC=C(C=C1)C(=O)O Z57989066 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.3 CSC1=NC=C(C=C1)C(=O)O Z732206884 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.3 N#CC1=CC=C(C=C1)C(=O)N Z33546655 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.3 N#CC1=CC=C(C=C1)C(=O)O Z104476114 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O Z316909626 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.3 NC(=O)C1=CC=C(C=C1)CCl Z154669306 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.3 NCC1=CC=C(C=C1)B(O)O Z1741960674 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.3 NCC1=CC=C(C=C1)C(=O)N Z57036329 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.3 NCC1=CC=C(C=C1)[N+](=O)[O-] Z1259155974 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.3 NCC1=CN=C(C=C1)C(=O)O Z2887729927 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.3 NCC1=NC=C(C=C1)C(=O)O Z2901372939 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.3 NNC1=CC=C(C=C1)C(=O)O Z56957167 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.3 O=C(O)C1=CC=C(C=C1)CBr Z55993105 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.3 O=C(O)C1=CC=C(C=C1)CCl Z111868896 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.3 O=C(O)C1=CC=C(C=C1)CS Z57989315 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.3 O=C(O)C1=NC=C(C=C1)CO Z3015401233 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.3 O=CC1=CC=C(C=C1)B(O)O Z819251758 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O Z104475878 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.3 O=CC1=CC=C(C=C1)C(Cl)Cl Z1262488914 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.3 O=CC1=CC=C(C=C1)C(F)F Z1216817922 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] Z57772464 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.3 O=CC1=CN=C(C=C1)C(F)F Z1255438049 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.3 O=CC1=NC=C(C=C1)C(F)F Z1255441765 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CBr Z56757346 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CCl Z56938009 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.3 OB(O)C1=CC=C(C=C1)CBr Z1269236418 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.3 OCC1=CC=C(C=C1)B(O)O Z1203162320 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.83 C#CC1=CC=C(C=C1)CCN Z4634952920 [0,1,0,0,0,0|0,0,2]=3 223 B11R1.83 C#CC1=CC=C(C=C1)OCC Z1080385490 [0,1,0,0,0,0|0,0,2]=3 224 B11R1.83 C#CC1=CN=C(C=C1)OCC Z1255495748 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.83 C/C=C/C1=CC=C(C=C1)OC Z2315575049 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.83 C=CCC1=CC=C(C=C1)C=O Z1511744017 [0,1,0,0,0,0|1,0,1]=3 227 B11R1.83 CC#CC1=CC=C(C=C1)C=O Z1322793976 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.83 CCC1=CC=C(C=C1)/C=N/O Z49568588 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [0,1,0,0,0,0|0,0,2]=3 230 B11R1.83 CCC1=CC=C(C=C1)CCO Z992949606 [0,1,0,0,0,0|0,0,2]=3 231 B11R1.83 CCCC1=CC=C(C=C1)C=O Z147641436 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.83 CCNC1=CC=C(C=C1)C#N Z126933712 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.83 CCNC1=CC=C(C=C1)CC Z286410160 [0,1,0,0,0,0|0,0,2]=3 234 B11R1.83 CCNC1=CC=C(C=C1)CN Z954985480 [0,1,0,0,0,0|1,0,1]=3 235 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [0,1,0,0,0,0|1,0,1]=3 236 B11R1.83 CCNC1=CN=C(C=C1)OC Z334876678 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.83 CCNC1=NC=C(C=C1)C#N Z219104216 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.83 CCNC1=NC=C(C=N1)C=O Z274575550 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.83 CCOC1=CC=C(C=C1)C#N Z53834532 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.83 CCOC1=CC=C(C=C1)C=O Z53833126 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.83 CCOC1=CC=C(C=C1)NC Z335255846 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.83 CCOC1=CN=C(C=C1)C=O Z1255437994 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.83 CCOC1=CN=C(N=C1)C=O Z3674830556 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.83 CCOC1=NC=C(C=C1)C#N Z295203536 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.83 CCOC1=NC=C(C=C1)C=O Z1198331588 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.83 CCOC1=NC=C(C=N1)C=O Z1216842962 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.83 CCSC1=CC=C(C=C1)C#N Z332378580 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.83 CNCC1=CC=C(C=C1)C#N Z123857104 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.83 CNCC1=CC=C(C=C1)CO Z5435726703 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.83 CNCC1=CC=C(C=C1)SC Z56960262 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.83 CNCC1=CN=C(C=C1)OC Z2490025030 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.83 CNCC1=NC=C(C=C1)OC Z1849014421 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.83 COC1=CC=C(C=C1)/C=N/O Z49568452 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.83 COC1=CC=C(C=C1)N=C=S Z56921427 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.83 COCC1=CC=C(C=C1)C#N Z295205408 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.83 COCC1=CC=C(C=C1)C=O Z1198331617 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.83 COCC1=CC=C(C=C1)CN Z240084734 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.83 COCC1=CC=C(C=C1)CO Z1255394253 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.83 CSC1=CC=C(C=C1)/C=N/O Z49568577 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.83 CSC1=CC=C(C=C1)CC#N Z1114998149 [0,1,0,0,0,0|1,0,2]=4 265 B11R1.83 CSC1=CC=C(C=C1)CC=O Z1198331627 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.83 CSCC1=CC=C(C=C1)C#N Z432419878 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.83 CSCC1=CC=C(C=C1)C=O Z2216784275 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.83 CSCC1=CC=C(C=C1)SC Z599630492 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.83 N#CC1=CC=C(C=C1)CCN Z1741971794 [0,1,0,0,0,0|1,0,1]=3 270 B11R1.83 N#CC1=CC=C(C=C1)CCO Z964982550 [0,1,0,0,0,0|1,0,1]=3 271 B11R1.83 N#CCC1=CC=C(C=C1)C=O Z1255373857 [0,1,0,0,0,0|1,0,1]=3 272 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [0,1,0,0,0,0|1,0,1]=3 273 B11R1.83 O=CC1=CC=C(C=C1)CCF Z1813165432 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.83 O=CC1=CC=C(C=C1)OCF Z4875012342 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.83 [N-]=[N+]=NC1=CC=C(C=C1)C=O Z1255356482 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.83 [N-]=[N+]=NC1=CC=C(C=C1)CN Z2065616393 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.279 C#CC1=C(C=C(C=C1)OC)Cl Z1862017872 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.279 C#CC1=CC(=C(C=C1)C=O)F Z1511771827 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.279 C#CC1=CC(=C(C=C1)CN)F Z3491366019 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.279 C#CC1=CC(=C(C=C1)OC)Br Z1269196997 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.279 C#CC1=CC(=C(C=C1)OC)Cl Z1649746536 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.279 C#CC1=CC(=C(C=C1)OC)F Z1080385564 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.279 C=CC1=CC(=C(C=C1)OC)O Z1513804703 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.279 CC1=C(C=CC(=C1)C#N)CO Z1255402462 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.279 CC1=C(C=CC(=C1)C=O)C#N Z1255505718 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.279 CCC1=C(C=C(C=C1)C=O)F Z2472525344 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.279 CCC1=CC(=C(C=C1)C#N)Br Z1416194449 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.279 CCC1=CC(=C(C=C1)C=O)C Z1511897707 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.279 CCC1=CC(=C(C=C1)C=O)F Z3244744229 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.279 CCC1=CC(=C(C=C1)CC)Br Z1203016482 [0,1,0,0,0,0|0,0,2]=3 291 B11R1.279 CCC1=CC(=C(C=C1)CC)N Z1276502928 [0,1,0,0,0,0|0,0,2]=3 292 B11R1.279 CCC1=CC(=C(C=C1)OC)N Z1209420082 [0,1,0,0,0,0|1,0,1]=3 293 B11R1.279 CNC1=C(C=C(C=C1)C#N)F Z445160706 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.279 CNC1=C(C=C(C=C1)C#N)N Z425853148 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.279 CNC1=C(C=C(C=C1)OC)I Z1878448486 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.279 CNC1=CC(=C(C=C1)C#N)Cl Z391901098 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.279 CNC1=CC(=C(C=C1)C=O)O Z1255444978 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.279 CNC1=CC(=C(C=C1)OC)Br Z5133569872 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.279 COC1=C(C=C(C=C1)C#N)C Z57900343 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.279 COC1=C(C=C(C=C1)C#N)N Z425853642 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.279 COC1=C(C=C(C=C1)C=O)Br Z54603118 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.279 COC1=C(C=C(C=C1)C=O)C Z199532230 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.279 COC1=C(C=C(C=C1)C=O)Cl Z57313891 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.279 COC1=C(C=C(C=C1)C=O)F Z94599216 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.279 COC1=C(C=C(C=C1)C=O)O Z104478184 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.279 COC1=C(C=C(C=C1)CCl)Br Z104341250 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.279 COC1=C(C=C(C=C1)CCl)F Z57980555 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.279 COC1=C(C=C(C=C1)CN)C Z446021090 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.279 COC1=C(C=C(C=C1)CN)Cl Z815287230 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.279 COC1=C(C=C(C=C1)CN)F Z355423270 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.279 COC1=C(C=C(C=C1)CN)O Z415728036 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.279 COC1=C(C=C(C=C1)CO)Cl Z385370262 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.279 COC1=C(C=C(C=N1)C=O)Br Z1269227157 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.279 COC1=C(C=C(C=N1)C=O)C Z1255428321 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.279 COC1=C(C=C(C=N1)C=O)Cl Z1198165226 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.279 COC1=C(C=C(C=N1)C=O)F Z1198164109 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.279 COC1=C(C=C(N=C1)C=O)Cl Z1255459195 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.279 COC1=C(C=C(N=C1)C=O)O Z1201626854 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.279 COC1=C(N=C(C=C1)C=O)C Z1255392726 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.279 COC1=CC(=C(C=C1)C#N)F Z1160930711 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.279 COC1=CC(=C(C=C1)C#N)N Z1198165398 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.279 COC1=CC(=C(C=C1)C=O)Br Z1190318854 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.279 COC1=CC(=C(C=C1)C=O)C Z385370020 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.279 COC1=CC(=C(C=C1)C=O)Cl Z178955320 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.279 COC1=CC(=C(C=C1)C=O)F Z1190318848 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.279 COC1=CC(=C(C=C1)C=O)O Z188964138 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.279 COC1=CC(=C(C=C1)CN)C Z1190318959 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.279 COC1=CC(=C(C=C1)CN)Cl Z5510271229 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.279 COC1=CC(=C(C=C1)CN)F Z1416282396 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.279 COC1=CC(=C(C=C1)CN)O Z2472857389 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.279 COC1=CC(=C(C=C1)OC)Br Z299596102 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.279 COC1=CC(=C(C=C1)OC)N Z56973491 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.279 COC1=CC(=C(N=C1)C=O)C Z1255504594 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.279 COC1=CC(=C(N=C1)C=O)Cl Z1255463662 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.279 COC1=NC(=C(C=C1)C=O)C Z1198307211 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.279 COC1=NC(=C(C=C1)C=O)F Z1255500299 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.279 COC1=NC=C(C(=C1)Br)C=O Z1269207586 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.279 COC1=NC=C(C(=C1)C)C=O Z1198172235 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.279 CSC1=C(C=C(C=C1)C#N)N Z732207082 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.279 CSC1=C(C=C(C=C1)C=O)Cl Z1436297421 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.279 CSC1=C(C=C(C=C1)CN)C Z732208378 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.279 CSC1=C(C=C(C=C1)CO)Cl Z1436298631 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.279 CSC1=CC(=C(C=C1)C#N)Cl Z1042088810 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.279 CSC1=CC(=C(C=C1)C#N)I Z1551931504 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.279 CSC1=CC(=C(C=C1)C=O)Br Z1948219399 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.279 CSC1=CC(=C(C=C1)C=O)F Z1686577681 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.279 N#CC1=C(C=C(C=C1)C=O)Cl Z1255505615 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.279 N#CC1=C(C=C(C=C1)C=O)F Z1255446726 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.279 N#CC1=C(C=C(C=C1)CN)F Z2239081609 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.279 N#CC1=CC(=C(C=C1)C=O)Br Z1269207666 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.279 N#CC1=CC(=C(C=C1)C=O)F Z1201624059 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.279 N#CC1=CC(=C(C=C1)CBr)F Z199533566 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.279 N#CC1=CC(=C(C=C1)CO)Br Z1269221754 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.279 N#CC1=CC(=C(C=C1)CO)Cl Z1255441952 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.21 CCC1=CC(=NO1)C=O Z1255421513 [0,0,0,0,1,0|3,0,0]=4 356 B9R1.21 CCC1=CC=C(N1)C=O Z1251356864 [0,0,0,0,1,0|2,0,0]=3 357 B9R1.21 CCC1=CC=C(N1)CN Z5211093745 [0,0,0,0,1,0|2,0,1]=4 358 B9R1.21 CCC1=CC=C(O1)C=O Z274774406 [0,0,0,0,1,0|2,0,0]=3 359 B9R1.21 CCC1=CC=C(O1)CN Z4604674433 [0,0,0,0,1,0|2,0,1]=4 360 B9R1.21 CCC1=CC=C(S1)C=O Z385369988 [0,0,0,0,1,0|2,0,0]=3 361 B9R1.21 CCC1=CN=C(O1)C=O Z1198173205 [0,0,0,0,1,0|3,0,0]=4 362 B9R1.21 CCC1=CN=C(S1)C=O Z1037606524 [0,0,0,0,1,0|3,0,0]=4 363 B9R1.21 CCC1=CNC(=N1)C=O Z1255404762 [0,0,0,0,1,0|3,0,0]=4 364 B9R1.21 CCC1=NC(=CS1)C=O Z728138492 [0,0,0,0,1,0|3,0,0]=4 365 B9R1.21 CCC1=NC=C(N1)C=O Z3235022503 [0,0,0,0,1,0|3,0,0]=4 366 B9R1.21 CCC1=NOC(=C1)C=O Z1201627025 [0,0,0,0,1,0|3,0,0]=4 367 B9R1.21 CCN1C=C(C=N1)C=O Z802540778 [0,0,0,0,1,0|3,0,0]=4 368 B9R1.21 CCN1C=CC(=C1)C=O Z1255361868 [0,0,0,0,1,0|2,0,0]=3 369 B9R1.21 CCN1C=CC(=N1)C=O Z1198162451 [0,0,0,0,1,0|3,0,0]=4 370 B9R1.21 CCN1C=NC(=C1)C=O Z1486030409 [0,0,0,0,1,0|3,0,0]=4 371 B9R1.21 COC1=CC=C(O1)C=O Z1309664827 [0,0,0,0,1,0|3,0,0]=4 372 B9R1.21 COC1=CC=C(S1)C=O Z1255429054 [0,0,0,0,1,0|3,0,0]=4 373 B9R1.21 CSC1=CC=C(N1)C=O Z1198158851 [0,0,0,0,1,0|3,0,0]=4 374 B9R1.21 CSC1=CC=C(O1)C=O Z1157748816 [0,0,0,0,1,0|3,0,0]=4 375 B9R1.21 CSC1=CC=C(S1)C=O Z367487368 [0,0,0,0,1,0|3,0,0]=4 376 B9R1.21 O=CC1=CC=C(O1)CCl Z1198159874 [0,0,0,0,1,0|3,0,0]=4 377 B9R1.21 O=CC1=CC=C(O1)CO Z1238542812 [0,0,0,0,1,0|3,0,0]=4 378 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,0]=2 379 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [2,0,0,0,0,0|1,0,0]=3 380 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,0]=2 381 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,0]=3 390 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|1,0,1]=4 393 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|1,0,0]=3 402 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.3 BrC1=CC=C(C=C1)Br Z104474572 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.3 BrC1=CC=C(C=C1)I Z299596184 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [2,0,0,0,0,0|0,0,1]=3 408 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [2,0,0,0,0,0|1,0,0]=3 409 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [2,0,0,0,0,0|1,0,0]=3 410 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [2,0,0,0,0,0|1,0,0]=3 411 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [2,0,0,0,0,0|1,0,0]=3 412 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.3 ClC1=CC=C(C=C1)Cl Z104476304 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.3 NC1=CC=C(C=C1)Cl Z104472774 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.3 NC1=CC=C(C=C1)F Z57127563 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.3 NC1=CC=C(C=C1)I Z57127369 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.3 NC1=CC=C(C=C1)N Z104472524 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.3 NC1=CC=C(C=C1)O Z57127517 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.3 OC1=CC=C(C=C1)Br Z57127362 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.3 OC1=CC=C(C=C1)Cl Z104473434 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.3 OC1=CC=C(C=C1)I Z104496300 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.3 SC1=CC=C(C=C1)Cl Z57834219 [2,0,0,0,0,0|2,0,0]=4 430 B10R1.1 CC1=CC=C(C=C1)/C=N/O Z49568558 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|0,0,2]=4 432 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|0,0,1]=3 434 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|0,0,1]=3 435 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|0,0,1]=3 447 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.1 CCSC1=NC=C(C=C1)Br Z742922262 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|0,0,1]=3 454 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.1 CSCC1=CN=C(C=C1)Cl Z732206922 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.1 O/N=C/C1=CC=C(C=C1)Br Z49568330 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.1 O/N=C/C1=CC=C(C=C1)Cl Z49568332 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.1 O/N=C/C1=CC=C(C=C1)F Z49568341 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.13 C=C(C)C1=CN=C(C=C1)Br Z1999517490 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [1,1,0,0,0,0|0,0,1]=3 494 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [1,1,0,0,0,0|0,0,1]=3 517 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [1,1,0,0,0,0|0,0,1]=3 518 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [1,1,0,0,0,0|0,0,1]=3 519 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.13 CC1=CN=C(C=C1)C(=O)O Z1511494596 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.13 CC1=NC=C(C=C1)C(=O)N Z57493539 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.13 CC1=NC=C(C=C1)C(=O)O Z235485476 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.13 N=C(N)C1=CC=C(C=C1)Br Z1263602346 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl Z56771179 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.13 N=C(N)C1=CC=C(C=C1)F Z2289798423 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.13 N=C(N)C1=CC=C(C=C1)I Z2574914411 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.13 NC(=S)C1=CC=C(C=C1)Br Z56964597 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.13 NC(=S)C1=CC=C(C=C1)Cl Z57070431 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.25 C=CC1=C(N=C(C=C1)Cl)Cl Z1255390099 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.25 CC1=C(C=CC(=C1)Br)C=O Z1079442722 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.25 CC1=C(C=CC(=C1)Br)CN Z1266854915 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.25 CC1=C(C=CC(=C1)Br)CO Z444299166 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O Z1201621733 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.25 CC1=C(C=CC(=C1)Cl)CN Z4862693322 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.25 CC1=C(C=CC(=C1)F)C=O Z853084730 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.25 CC1=C(C=CC(=C1)F)CN Z4450359823 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.25 CC1=C(C=CC(=C1)F)CO Z959356974 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 CC1=C(C=CC(=C1)N)CN Z2574928353 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.25 CC1=C(C=CC(=C1)O)C=O Z1161074806 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 CC1=CC(=C(C=C1)C#N)Br Z1255415787 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.25 CC1=CC(=C(C=C1)C#N)F Z972601888 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.25 CC1=CC(=C(C=C1)C=O)Br Z1255427913 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.25 CC1=CC(=C(C=C1)C=O)C Z104479608 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.25 CC1=CC(=C(C=C1)C=O)Cl Z1198280103 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.25 CC1=CC(=C(C=C1)C=O)F Z732814038 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.25 CC1=CC(=C(C=C1)C=O)N Z1198276968 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.25 CC1=CC(=C(C=C1)C=O)O Z1203159482 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.25 CC1=CC(=C(C=C1)CN)C Z239626330 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.25 CC1=CC(=C(C=C1)CN)F Z3071128846 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.25 CC1=CC(=C(C=C1)CN)N Z5524803288 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.25 CC1=CC(=C(C=C1)CN)O Z4525848236 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.25 CC1=CC(=C(C=C1)CO)C Z335244716 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.25 CC1=CC(=C(C=C1)CO)Cl Z1255382519 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.25 CC1=CC(=C(C=C1)CO)N Z1198176996 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.25 CC1=CC(=C(C=C1)NN)C Z56961369 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 CC1=CC(=C(N=C1)C=O)C Z1198234199 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.25 CC1=NC(=C(C=C1)C=O)C Z1079442778 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 CC1=NC=C(C(=C1)Cl)C=O Z1255420960 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.25 CCC1=C(C=C(C=C1)Br)Cl Z1551924119 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.25 CCC1=C(C=C(C=C1)C)O Z1198181015 [1,1,0,0,0,0|0,0,1]=3 588 B10R1.25 CCC1=C(C=C(C=C1)Cl)Cl Z1862006036 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.25 CCC1=C(C=C(C=C1)F)N Z4670692131 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.25 CCC1=C(C=C(C=C1)N)F Z1203583183 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.25 CCC1=C(C=C(C=C1)N)I Z4120967362 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.25 CCC1=C(C=C(C=C1)O)O Z104499414 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.25 CCC1=C(C=C(N=C1)C)N Z1198157196 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.25 CCC1=C(N=C(C=C1)C)N Z1201619216 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.25 CNC1=C(C=C(C=C1)Br)C Z335260018 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 CNC1=C(C=C(C=C1)Br)Cl Z391885374 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 CNC1=C(C=C(C=C1)Br)F Z803129926 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 CNC1=C(C=C(C=C1)Br)N Z359511404 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.25 CNC1=C(C=C(C=C1)C)Br Z335255150 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.25 CNC1=C(C=C(C=C1)C)C Z335249338 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.25 CNC1=C(C=C(C=C1)C)F Z2289768913 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.25 CNC1=C(C=C(C=C1)C)N Z394648996 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.25 CNC1=C(C=C(C=C1)Cl)F Z1966571852 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.25 CNC1=C(C=C(C=C1)Cl)I Z4968144357 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.25 CNC1=C(C=C(C=C1)Cl)N Z359511424 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 CNC1=C(C=C(C=C1)F)Cl Z4102405978 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.25 CNC1=C(C=C(C=C1)F)I Z3476924845 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.25 CNC1=C(C=C(C=C1)F)N Z359511402 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.25 CNC1=C(C=C(C=C1)N)C Z385462228 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.25 CNC1=C(C=C(C=C1)O)C Z2740415969 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 COC1=C(C=C(C=C1)Br)F Z54183592 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 COC1=C(C=C(C=C1)Br)N Z330803600 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 COC1=C(C=C(C=C1)Br)S Z367661854 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 COC1=C(C=C(C=C1)C)N Z104477476 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.25 COC1=C(C=C(C=C1)Cl)I Z1269181635 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 COC1=C(C=C(C=C1)Cl)N Z56782009 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.25 COC1=C(C=C(C=C1)F)N Z332375930 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.25 COC1=C(C=C(C=C1)I)Br Z362776936 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 COC1=C(C=C(C=C1)I)F Z57073900 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 COC1=C(C=C(C=C1)N)Br Z57450975 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 COC1=C(C=C(C=C1)N)F Z362635046 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 COC1=C(C=C(C=C1)N)O Z104494830 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 COC1=C(C=C(C=C1)O)F Z415739536 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 COC1=C(C=C(C=C1)O)I Z1269222013 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 CSC1=C(C=C(C=C1)Br)N Z412043196 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 CSC1=C(C=C(C=C1)Cl)N Z234894267 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 CSC1=C(C=C(C=C1)F)N Z803129932 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 CSC1=C(C=C(C=C1)N)Br Z852342876 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 CSC1=C(C=C(C=C1)N)Cl Z412040302 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 CSC1=C(C=C(C=C1)N)F Z412032312 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.25 CSC1=C(C=C(C=C1)O)Br Z1269227695 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.25 CSC1=C(C=C(C=C1)O)C Z277164168 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 ClCC1=C(C=C(C=C1)Cl)Cl Z57834457 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.25 NC1=C(C=CC(=C1)Br)CO Z1269175206 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 NC1=C(C=CC(=C1)Cl)CO Z955147660 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 NC1=C(C=CC(=C1)F)CO Z1198159868 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 NC1=CC(=C(C=C1)C=O)Cl Z1206884716 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.25 NCC1=C(C=C(C=C1)Br)Br Z3244847417 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 NCC1=C(C=C(C=C1)Br)Cl Z448247302 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 NCC1=C(C=C(C=C1)Br)F Z1266933858 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.25 NCC1=C(C=C(C=C1)Br)O Z1269160590 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 NCC1=C(C=C(C=C1)Cl)Br Z2787455611 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 NCC1=C(C=C(C=C1)Cl)Cl Z316170412 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 NCC1=C(C=C(C=C1)Cl)F Z2238931004 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.25 NCC1=C(C=C(C=C1)Cl)I Z1889706351 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 NCC1=C(C=C(C=C1)F)Br Z2238930616 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 NCC1=C(C=C(C=C1)F)F Z239626462 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 NCC1=C(C=C(C=C1)I)Cl Z1973465512 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 NCC1=C(C=C(C=C1)N)F Z5197774367 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.25 NCC1=C(C=C(C=C1)N)O Z3034846582 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 NCC1=C(C=C(C=C1)O)F Z3244923137 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 NCC1=C(C=C(C=C1)O)O Z2350903951 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.25 O=CC1=C(C=C(C=C1)Br)Br Z1269133882 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.25 O=CC1=C(C=C(C=C1)Br)Cl Z1079442724 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.25 O=CC1=C(C=C(C=C1)Br)F Z104486154 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 O=CC1=C(C=C(C=C1)Br)I Z1269178376 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 O=CC1=C(C=C(C=C1)Br)O Z405051414 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 O=CC1=C(C=C(C=C1)Cl)Br Z1269165294 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.25 O=CC1=C(C=C(C=C1)Cl)Cl Z57127525 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F Z1079442614 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 O=CC1=C(C=C(C=C1)Cl)O Z1201623478 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 O=CC1=C(C=C(C=C1)F)Br Z1079442442 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 O=CC1=C(C=C(C=C1)F)Cl Z1079442562 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 O=CC1=C(C=C(C=C1)F)F Z104495222 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 O=CC1=C(C=C(C=C1)F)I Z1269211883 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 O=CC1=C(C=C(C=C1)F)O Z1201622454 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 O=CC1=C(C=C(C=C1)I)Cl Z1269135461 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 O=CC1=C(C=C(C=C1)O)Br Z622749802 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 O=CC1=C(C=C(C=C1)O)Cl Z1255419357 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 O=CC1=C(C=C(C=C1)O)F Z1201623850 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 O=CC1=C(C=C(C=C1)O)O Z104497974 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 OCC1=C(C=C(C=C1)Br)Br Z1269234186 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 OCC1=C(C=C(C=C1)Br)Cl Z448248274 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 OCC1=C(C=C(C=C1)Br)I Z1269215229 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 OCC1=C(C=C(C=C1)Cl)Br Z1269183118 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.25 OCC1=C(C=C(C=C1)Cl)Cl Z111479786 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 OCC1=C(C=C(C=C1)Cl)I Z1269244634 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 OCC1=C(C=C(C=C1)F)Br Z397587428 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 OCC1=C(C=C(C=C1)F)I Z1269118341 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 OCC1=C(C=C(C=C1)I)Cl Z1269140641 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.176 CC1=C(C=C(C=C1)C#N)Br Z1255458213 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.176 CC1=C(C=C(C=C1)C#N)Cl Z1097119561 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.176 CC1=C(C=C(C=C1)C#N)N Z939944650 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.176 CC1=C(C=C(C=C1)C#N)O Z1198177234 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.176 CC1=C(C=C(C=C1)C=O)Br Z1198165094 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.176 CC1=C(C=C(C=C1)C=O)C Z147641440 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl Z1097119562 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.176 CC1=C(C=C(C=C1)C=O)F Z1079442530 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.176 CC1=C(C=C(C=C1)C=O)O Z1198157218 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.176 CC1=C(C=C(C=C1)CN)Cl Z4658099850 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.176 CC1=C(C=C(C=C1)CN)F Z166652084 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.176 CC1=C(C=C(C=C1)CN)N Z5023069916 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.176 CC1=C(C=C(C=C1)CN)O Z3951014909 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.176 CC1=C(C=C(C=C1)CO)Br Z1269190523 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.176 CC1=C(C=C(C=C1)CO)I Z1269159118 [1,1,0,0,0,0|1,0,1]=4 697 B10R1.176 CC1=C(C=C(C=C1)CO)N Z1203578220 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.176 CC1=C(C=CC(=C1)C=O)Br Z1198175071 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl Z1201621734 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.176 CC1=C(C=CC(=C1)C=O)F Z732814060 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.176 CC1=C(C=CC(=C1)C=O)I Z1269181559 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.176 CC1=C(C=CC(=C1)C=O)O Z1082846778 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.176 CC1=C(C=CC(=C1)CN)Br Z2293605627 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.176 CC1=C(C=CC(=C1)CN)Cl Z1255503196 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.176 CC1=C(C=CC(=C1)CN)I Z1992316385 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.176 CC1=C(C=CC(=C1)CO)Br Z1269142250 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.176 CC1=C(C=CC(=C1)CO)Cl Z1201623310 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.176 CC1=C(N=C(C=C1)C=O)C Z1255398335 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.176 CC1=C(N=CC(=C1)C=O)C Z1255402338 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.176 CCC1=CC(=C(C=C1)Br)Cl Z1551924078 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.176 CCC1=CC(=C(C=C1)Br)N Z2753220544 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.176 CCC1=CC(=C(C=C1)N)F Z1255421063 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.176 CCC1=CC(=C(C=C1)N)N Z1198311235 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.176 CCC1=CC(=C(C=C1)O)C Z1255463943 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.176 CCC1=CC(=C(C=C1)O)N Z1318147478 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.176 CCN1C=CC(=O)C(=C1)N Z1455314607 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.176 CN1C=CC(=CC1=O)C=O Z1511751846 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.176 CNC1=CC(=C(C=C1)Br)C Z335264426 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.176 CNC1=CC(=C(C=C1)F)F Z335273034 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.176 COC1=CC(=C(C=C1)Br)N Z406520438 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.176 COC1=CC(=C(C=C1)C)N Z1203578033 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.176 COC1=CC(=C(C=C1)Cl)C Z54850187 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.176 COC1=CC(=C(C=C1)Cl)N Z1259341039 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.176 COC1=CC(=C(C=C1)F)Br Z1269188737 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.176 COC1=CC(=C(C=C1)F)N Z1198319952 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.176 COC1=CC(=C(C=C1)I)C Z1269244593 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.176 COC1=CC(=C(C=C1)N)Br Z425366392 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.176 COC1=CC(=C(C=C1)N)C Z239604794 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.176 COC1=CC(=C(C=C1)N)Cl Z425366376 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.176 COC1=CC(=C(C=C1)N)F Z425366382 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.176 COC1=CC(=C(C=C1)N)I Z1868316833 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.176 CSC1=CC(=C(C=C1)Br)O Z1269146558 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.176 CSC1=CC(=C(C=C1)C)N Z1037567098 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.176 CSC1=CC(=C(C=C1)Cl)N Z2507870687 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.176 ClC1=C(C=C(C=C1)CBr)Br Z1269140591 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 ClC1=C(C=C(C=C1)CBr)Cl Z56969314 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 NC1=C(C=C(C=C1)C=O)Cl Z1198314265 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.176 NC1=C(C=CC(=C1)CO)Br Z1269218344 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 NC1=C(C=CC(=C1)CO)Cl Z394691290 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.176 NC1=C(C=CC(=C1)CO)F Z4518011880 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.176 NCC1=CC(=C(C=C1)Br)F Z2327126749 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.176 NCC1=CC(=C(C=C1)Cl)F Z3244773428 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.176 NCC1=CC(=C(C=C1)Cl)N Z1480642430 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 NCC1=CC(=C(C=C1)F)Cl Z992424146 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.176 NCC1=CC(=C(C=C1)F)F Z239626576 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 NCC1=CC(=C(C=C1)F)O Z2786079401 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 NCC1=CC(=C(C=C1)O)Br Z1436472846 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.176 NCC1=CC(=C(C=C1)O)Cl Z2757555437 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.176 NCC1=CC(=C(C=C1)O)F Z1250080941 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 NCC1=CC(=C(C=C1)O)O Z1272096628 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 O=CC1=CC(=C(C=C1)Br)Br Z1269188996 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 O=CC1=CC(=C(C=C1)Br)Cl Z1269162864 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.176 O=CC1=CC(=C(C=C1)Br)F Z1079442824 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.176 O=CC1=CC(=C(C=C1)Cl)Br Z1269163997 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 O=CC1=CC(=C(C=C1)Cl)Cl Z57887872 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.176 O=CC1=CC(=C(C=C1)Cl)F Z838969200 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.176 O=CC1=CC(=C(C=C1)Cl)O Z1255452805 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.176 O=CC1=CC(=C(C=C1)F)Br Z104489526 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.176 O=CC1=CC(=C(C=C1)F)Cl Z586248502 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 O=CC1=CC(=C(C=C1)F)F Z104477800 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 O=CC1=CC(=C(C=C1)F)I Z1269142176 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 O=CC1=CC(=C(C=C1)O)Br Z56960236 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 O=CC1=CC(=C(C=C1)O)Cl Z57313902 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.176 O=CC1=CC(=C(C=C1)O)F Z385458796 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.176 O=CC1=CC(=C(C=C1)O)O Z56957508 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.176 OCC1=CC(=C(C=C1)Br)Cl Z1269181450 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.176 OCC1=CC(=C(C=C1)Cl)Br Z1269238306 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.176 OCC1=CC(=C(C=C1)I)Cl Z1269236145 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.176 OCC1=CC(=C(C=C1)I)O Z1269159331 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.176 OCC1=CC(=C(C=C1)O)Cl Z839172284 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.176 OCC1=CC(=C(C=C1)O)F Z385458838 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.31 CC(C)C1=CC=C(S1)C=O Z1416177549 [0,1,0,0,1,0|2,0,0]=4 776 B10R1.31 CC(C)N1C=CC(=C1)C=O Z1201625737 [0,1,0,0,1,0|2,0,0]=4 777 B10R1.31 CCC1=CC=C(N1)C(=O)O Z1416166268 [0,1,0,0,1,0|2,0,0]=4 778 B10R1.31 CCC1=CC=C(O1)C(=O)O Z57564911 [0,1,0,0,1,0|2,0,0]=4 779 B10R1.31 CCC1=CC=C(S1)C(=O)C Z89267050 [0,1,0,0,1,0|1,0,1]=4 780 B10R1.31 CCC1=CNC(=C1)C(=O)O Z3243445142 [0,1,0,0,1,0|2,0,0]=4 781 B10R1.35 CCC1=C(C=C(S1)C=O)Br Z1162153819 [0,1,0,0,1,0|2,0,0]=4 782 B10R1.35 CCC1=CC(=C(S1)C=O)Br Z1416170804 [0,1,0,0,1,0|2,0,0]=4 783 B10R1.96 CCCC1=CC=C(S1)C=O Z1198171732 [0,1,0,0,1,0|2,0,0]=4 784 B10R1.96 CCCN1C=CC(=C1)C=O Z1274736901 [0,1,0,0,1,0|2,0,0]=4 785 B10R1.96 CCOC1=CC=C(O1)C=O Z1309664832 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.96 COCC1=CC=C(O1)C=O Z1198159985 [0,1,0,0,1,0|2,0,0]=4 787 B10R1.96 COCC1=CC=C(S1)C=O Z1198171031 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.96 COCC1=CSC(=C1)C=O Z1198171052 [0,1,0,0,1,0|2,0,0]=4 789 B12R1.5 C=C(CO)C1=CC=C(C=C1)OC Z1896425058 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.5 C=CC1=CC=C(C=C1)C(=O)CCl Z1999524831 [0,2,0,0,0,0|0,0,1]=3 791 B12R1.5 CCC(=O)C1=CC=C(C=C1)C#N Z1251353904 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC Z285137084 [0,2,0,0,0,0|0,0,1]=3 793 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [0,2,0,0,0,0|1,0,1]=4 795 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.5 CCC1=CC=C(C=C1)/C(=N/O)/N Z104442610 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl Z56881220 [0,2,0,0,0,0|0,0,1]=3 798 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN Z56926664 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.5 CCC1=CC=C(C=C1)C(C)C=O Z1255424702 [0,2,0,0,0,0|0,0,1]=3 800 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.5 CCN(C)C1=NC=C(C=C1)C=O Z1255447297 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.5 CNC(=O)C1=CC=C(C=C1)C=O Z235353065 [0,2,0,0,0,0|1,0,1]=4 803 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN Z234893745 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC Z51983114 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC Z3014412034 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O Z18297598 [0,2,0,0,0,0|1,0,1]=4 809 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr Z57358719 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.5 COC(=O)C1=CC=C(C=C1)CN Z56839665 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [0,2,0,0,0,0|1,0,1]=4 812 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/N Z57169545 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [0,2,0,0,0,0|1,0,1]=4 814 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [0,2,0,0,0,0|1,0,1]=4 815 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.5 COC1=CC=C(C=C1)C(=O)NO Z59181957 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,2,0,0,0,0|1,0,1]=4 818 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.5 CSC1=CC=C(C=C1)C(=O)C=O Z2289798581 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.5 CSC1=CC=C(C=C1)C(=O)CCl Z104493412 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.5 CSC1=CC=C(C=C1)C(C)C=O Z1511826610 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.5 N#CC1=CC=C(C=C1)C(N)CF Z3270204937 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.5 NCC1=CC=C(C=C1)C(=O)NO Z2065616423 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.6 C=CC1=CC=C(C=C1)S(=O)(=O)Cl Z1203132661 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.6 C=CC1=CC=C(C=C1)S(=O)(=O)F Z2071109409 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O Z57887687 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CBr Z104482926 [0,2,0,0,0,0|1,0,1]=4 830 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN Z54748270 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.6 CC(C)(C)C1=CN=C(C=C1)C=O Z1255438018 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.6 CC(C)(C)C1=NC=C(C=C1)C=O Z1198182869 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.6 CC(C)(N)C1=CC=C(C=C1)C#N Z4657441325 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C#N Z1322795164 [0,2,0,0,0,0|1,0,1]=4 835 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C=O Z1511747837 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CN Z1198305621 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.6 CC(F)(F)C1=CC=C(C=C1)C#N Z1255385883 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.6 CC(F)(F)C1=CC=C(C=C1)C=O Z1255389617 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.6 CCC1=CC=C(C=C1)C(C)(C)N Z905155800 [0,2,0,0,0,0|0,0,2]=4 840 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)C Z1198163251 [0,2,0,0,0,0|1,0,1]=4 841 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl Z104505328 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)F Z1198321297 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)N Z57902253 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.6 CNC1=CC=C(C=C1)C(C)(C)C Z335259092 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O Z449374328 [0,2,0,0,0,0|1,0,1]=4 846 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O Z732216198 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O Z56785107 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=O Z1198176233 [0,2,0,0,0,0|1,1,0]=4 849 B12R1.6 O=CC1=CC=C(C=C1)C(Cl)(Cl)Cl Z2751119164 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.6 O=CC1=CC=C(C=C1)C(F)(F)F Z104473706 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.48 CC(C)C1=CC(=C(C=C1)C=O)F Z1171158410 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.48 CC1=C(C=CC(=C1)C(C)N)C#N Z4876961979 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C=O Z959352824 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)Cl Z1255376027 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)F Z1255438299 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)N Z1079174536 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.48 CCC1=C(C=C(C=C1)[N+](=O)[O-])O Z3247263630 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.48 CCN1C=CC(=CC1=O)C(=O)O Z1201626394 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)O Z1255364776 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)F Z995130308 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.48 CNC1=C(C=C(C=C1)C(=O)O)N Z1945708092 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.48 COC1=C(C=C(C=C1)C(=N)N)Cl Z2452277009 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [0,2,0,0,0,0|1,0,1]=4 864 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [0,2,0,0,0,0|1,0,1]=4 865 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)Br Z101186024 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)F Z87615059 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N Z239125322 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br Z57663652 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl Z57790676 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F Z57169536 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I Z57200689 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N Z274783176 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.48 COC1=C(C=C(C=C1)C(C)C)O Z1255440315 [0,2,0,0,0,0|1,0,1]=4 878 B12R1.48 COC1=C(C=C(C=C1)C(C)O)Cl Z756121270 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.48 COC1=C(C=C(C=C1)C(C)O)F Z220335558 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.48 COC1=C(C=C(C=C1)[C@@H](C)O)Br Z360056130 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.48 CSC1=C(C=C(C=C1)C(=O)C)F Z732207810 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)Br Z2901372894 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)F Z4679492911 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.48 NCC1=C(C=C(C=C1)C(=O)O)O Z3413989910 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)Cl Z1551918094 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.48 O=C(O)C1=CC(=C(C=C1)CO)F Z1080722404 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.48 O=C(O)C1=CC(=C(C=C1)CS)F Z381364016 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.48 O=CC1=C(C=C(C=C1)C(F)F)F Z3243453169 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.113 C/N=C/C1=CC=C(C=C1)C(C)C Z56944543 [0,2,0,0,0,0|0,0,1]=3 890 B12R1.113 CC(C)C1=CC=C(C=C1)/C=N/O Z49568517 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.113 CC(C)C1=CC=C(C=C1)CC#N Z295878594 [0,2,0,0,0,0|0,0,2]=4 892 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O Z1020792742 [0,2,0,0,0,0|0,0,1]=3 893 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S Z56896772 [0,2,0,0,0,0|1,0,1]=4 894 B12R1.113 CCCC1=CC=C(C=C1)B(O)O Z336079950 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O Z285150282 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.113 CCCC1=CC=C(C=C1)[C@@H](C)O Z360056068 [0,2,0,0,0,0|0,0,2]=4 897 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O Z381340222 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.113 CCOC1=CC=C(C=C1)B(O)O Z336079910 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.113 CCOC1=CC=C(C=C1)C(=N)N Z1262327405 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [0,2,0,0,0,0|0,0,1]=3 901 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N Z33546681 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O Z56759338 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N Z56953071 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.113 CCOC1=CC=C(C=C1)C(C)N Z203884180 [0,2,0,0,0,0|0,0,2]=4 905 B12R1.113 CCOC1=CC=C(C=C1)S(=O)[O-] Z2111525259 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O Z360055638 [0,2,0,0,0,0|0,0,2]=4 907 B12R1.113 CCOC1=CC=C(C=C1)[C@H](C)O Z360055632 [0,2,0,0,0,0|0,0,2]=4 908 B12R1.113 CCOC1=NC=C(C=C1)C(=O)N Z449377044 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O Z240114982 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.113 CCSC1=CC=C(C=C1)C(=O)C Z332382324 [0,2,0,0,0,0|0,0,1]=3 911 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O Z228030812 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.113 CCSC1=CC=C(C=C1)C(C)N Z332384546 [0,2,0,0,0,0|0,0,2]=4 913 B12R1.113 CCSC1=NC=C(C=C1)C(=O)O Z332377502 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.113 CN(C)C1=CC=C(C=C1)/C=N/O Z49568328 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.113 CN(C)C1=CC=C(C=C1)CCN Z285143748 [0,2,0,0,0,0|1,0,1]=4 916 B12R1.113 CNCC1=CC=C(C=C1)C(=O)N Z316170532 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.113 CNCC1=CC=C(C=C1)C(C)C Z56951193 [0,2,0,0,0,0|0,0,2]=4 918 B12R1.113 CNCC1=CC=C(C=C1)N(C)C Z57327129 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.113 CNCC1=CC=C(C=C1)S(=O)C Z1262607272 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.113 CNCC1=CC=C(C=C1)[N+](=O)[O-] Z102766816 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.113 CNCC1=NC=C(C=C1)C(=O)O Z1255404522 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.113 COCC1=CC=C(C=C1)B(O)O Z823983404 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.113 COCC1=CC=C(C=C1)C(=O)N Z52214428 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.113 COCC1=CC=C(C=C1)C(=O)O Z57981093 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.113 COCC1=NC=C(C=C1)C(=O)O Z1255402225 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O Z51581091 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)N Z219997172 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.113 N#CCC1=CC=C(C=C1)C(=O)O Z274531454 [0,2,0,0,0,0|1,0,1]=4 929 B12R1.113 NCCC1=CC=C(C=C1)B(O)O Z3244520031 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.113 NCCC1=CC=C(C=C1)C(=O)O Z104341512 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.113 NCCC1=CC=C(C=C1)C(F)F Z4652528870 [0,2,0,0,0,0|1,0,1]=4 932 B12R1.113 NCCC1=CN=C(C=C1)C(=O)O Z5777724066 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO Z1198159608 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.113 O=[N+]([O-])C1=CC=C(C=C1)/C=C/Br Z1269168638 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O Z335574216 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,2,0,0,0,0|0,0,1]=3 937 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C Z56978035 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.256 CC(=O)C1=CC=C(C=C1)S(=O)C Z1276746404 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O Z336080004 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.256 CC(C)C1=CC=C(C=C1)C(=N)N Z1184858180 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)N Z33546608 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.256 CC(C)C1=CC=C(C=C1)C(=S)N Z55993078 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)N Z56347268 [0,2,0,0,0,0|0,0,2]=4 944 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)O Z335245028 [0,2,0,0,0,0|0,0,2]=4 945 B12R1.256 CC(C)C1=CC=C(C=C1)[C@@H](C)N Z1688198407 [0,2,0,0,0,0|0,0,2]=4 946 B12R1.256 CC(C)C1=CN=C(C=C1)C(=O)O Z2168282673 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)O Z1474026485 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.256 CC(O)C1=CC=C(C=C1)B(O)O Z1255489462 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.256 CC(O)C1=CC=C(C=C1)C(=O)O Z1198155605 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.256 CC(O)C1=CC=C(C=C1)N(C)C Z228586338 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.256 CC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z228586132 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.256 CN(C)C1=CC=C(C=C1)C(=N)N Z2327588276 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N Z33546672 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O Z104476964 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.256 CS(=O)C1=CC=C(C=C1)C(=O)O Z119989874 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.256 O=C(O)C1=CC=C(C=C1)C(F)F Z995167754 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.452 CC(C)C1=C(C=C(C=C1)C=O)Br Z3242862201 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.452 CC(N)C1=C(C=C(C=C1)C#N)F Z1688198406 [0,2,0,0,0,0|1,0,1]=4 959 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)C Z1255422069 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)Cl Z1255359653 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)F Z1255434596 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)N Z1188031184 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.452 CCC1=CC(=C(C=C1)C(=O)O)O Z1255367412 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)Br Z1269238713 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)C Z1255381842 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.452 CCC1=NC(=C(C=C1)C(=O)O)O Z1198233393 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.452 CN(C)C1=C(C=C(C=C1)C=O)F Z335439982 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.452 CNC1=CC(=C(C=C1)C(=O)N)Br Z2511811300 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.452 CNC1=CC(=C(C=C1)C(=O)O)Cl Z1042084040 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,2,0,0,0,0|1,0,1]=4 973 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [0,2,0,0,0,0|1,0,1]=4 974 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O Z57032591 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br Z454080610 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl Z431962480 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F Z89264974 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I Z1269201449 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N Z367452116 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O Z104499836 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.452 COC1=CC(=C(C=C1)[C@H](C)O)Br Z1541833075 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.452 CSC1=CC(=C(C=C1)C(=O)C)Cl Z871801792 [0,2,0,0,0,0|1,0,1]=4 983 B12R1.452 CSC1=CC(=C(C=C1)C(=O)O)Cl Z1042085326 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.452 O=C(O)C1=C(C=C(C=C1)CO)F Z1255383867 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.452 O=CC1=CC(=C(C=C1)C(F)F)F Z2792063700 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.4 C#CC1=CC=C(C=C1)OC(C)C Z1080385566 [0,2,0,0,0,0|0,0,2]=4 987 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O Z104472864 [0,2,0,0,0,0|1,0,1]=4 988 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN Z235336571 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O Z57887890 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl Z1255365081 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.4 CC(=O)OC1=CC=C(C=C1)CN Z2216303143 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [0,2,0,0,0,0|1,0,0]=3 994 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.4 CC(C)CC1=NC=C(C=C1)C=O Z2732484016 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.4 CC(C)NC1=CC=C(C=C1)CN Z4905251594 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.4 CC(C)OC1=CC=C(C=C1)C#N Z53834533 [0,2,0,0,0,0|1,0,1]=4 998 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [0,2,0,0,0,0|1,0,1]=4 1000 B12R1.4 CC(C)OC1=NC=C(C=C1)C=O Z1198172232 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [0,2,0,0,0,0|1,0,1]=4 1002 B12R1.4 CC(O)CC1=CC=C(C=C1)C=O Z1511913303 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.4 CCC1=CC=C(C=C1)CC(=O)O Z274782844 [0,2,0,0,0,0|0,0,1]=3 1004 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C Z30917832 [0,2,0,0,0,0|0,0,1]=3 1005 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N Z271134316 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.4 CCC1=CC=C(C=C1)NC(C)C Z266668684 [0,2,0,0,0,0|0,0,2]=4 1007 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N Z54750053 [0,2,0,0,0,0|1,0,1]=4 1008 B12R1.4 CN(C)CC1=CC=C(C=C1)C=O Z1065726000 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [0,2,0,0,0,0|1,0,1]=4 1010 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C Z335252368 [0,2,0,0,0,0|1,0,1]=4 1011 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,2,0,0,0,0|1,0,1]=4 1014 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,2,0,0,0,0|1,0,1]=4 1015 B12R1.4 COC1=CC=C(C=C1)NC(=N)N Z118438372 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,2,0,0,0,0|1,0,1]=4 1017 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.4 COC1=CC=C(C=C1)NC(=S)N Z56921428 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,2,0,0,0,0|1,0,1]=4 1020 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O Z1212966448 [0,2,0,0,0,0|1,0,1]=4 1021 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C Z25066204 [0,2,0,0,0,0|1,0,1]=4 1022 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N Z228589054 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.4 O=CC1=CC=C(C=C1)CC(=O)O Z1198269767 [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.4 O=CC1=CC=C(C=C1)OC(F)F Z55671895 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.4 O=CC1=CC=C(C=C1)SC(F)F Z1255396808 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.71 C#CCOC1=CC=C(C=C1)C=O Z54475573 [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.71 C=CCOC1=CC=C(C=C1)C=O Z54337085 [0,2,0,0,0,0|1,0,1]=4 1028 B12R1.71 C=CCOC1=CC=C(C=C1)CO Z54636167 [0,2,0,0,0,0|1,0,0]=3 1029 B12R1.71 CCC1=CC=C(C=C1)/C=C/CO Z1913661008 [0,2,0,0,0,0|0,0,0]=2 1030 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [0,2,0,0,0,0|0,0,1]=3 1031 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [0,2,0,0,0,0|1,0,0]=3 1032 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [0,2,0,0,0,0|1,0,1]=4 1033 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [0,2,0,0,0,0|0,0,2]=4 1034 B12R1.71 CCCOC1=CC=C(C=C1)C#N Z53834534 [0,2,0,0,0,0|1,0,1]=4 1035 B12R1.71 CCCOC1=CC=C(C=C1)C=O Z53833128 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [0,2,0,0,0,0|1,0,1]=4 1037 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [0,2,0,0,0,0|1,0,1]=4 1038 B12R1.71 CCNCC1=CC=C(C=C1)C#N Z123866350 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [0,2,0,0,0,0|1,0,1]=4 1040 B12R1.71 CCOCC1=CC=C(C=C1)C#N Z295205422 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.71 CN/N=C/C1=CC=C(C=C1)SC Z56818293 [0,2,0,0,0,0|1,0,1]=4 1042 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [0,2,0,0,0,0|1,0,1]=4 1044 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [0,2,0,0,0,0|1,0,1]=4 1045 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [0,2,0,0,0,0|1,0,1]=4 1046 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [0,2,0,0,0,0|1,0,1]=4 1049 B12R1.71 N#CC1=CC=C(C=C1)/C=C/C=O Z2240804591 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.71 N#CC1=CC=C(C=C1)NCCO Z196118762 [0,2,0,0,0,0|1,0,1]=4 1052 B12R1.71 N#CC1=CC=C(C=C1)OCCBr Z56960251 [0,2,0,0,0,0|1,0,1]=4 1053 B12R1.71 N#CC1=CC=C(C=C1)OCCN Z1262398529 [0,2,0,0,0,0|1,0,1]=4 1054 B12R1.71 N#CC1=CC=C(C=C1)OCCO Z149165452 [0,2,0,0,0,0|1,0,1]=4 1055 B12R1.71 N#CCOC1=CC=C(C=C1)C=O Z53791012 [0,2,0,0,0,0|1,0,1]=4 1056 B12R1.71 NCC1=CC=C(C=C1)OCCO Z1891774500 [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.71 NCC1=CC=C(C=C1)SCCO Z4457865489 [0,2,0,0,0,0|1,0,1]=4 1058 B12R1.71 O=CC1=CC=C(C=C1)OCCO Z295452566 [0,2,0,0,0,0|1,0,0]=3 1059 B12R1.71 O=CC1=CN=C(C=C1)OCCO Z1255497432 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.71 O=CC1=NC=C(C=C1)OCCF Z1416227908 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.114 C#CC1=CC(=C(C=C1)OCC)F Z1650045861 [0,2,0,0,0,0|0,0,2]=4 1062 B12R1.114 CCOC1=C(C=C(C=C1)C#N)Cl Z57756799 [0,2,0,0,0,0|1,0,1]=4 1063 B12R1.114 CCOC1=C(C=C(C=C1)C#N)F Z445161840 [0,2,0,0,0,0|1,0,1]=4 1064 B12R1.114 CCOC1=C(C=C(C=C1)C#N)N Z425853644 [0,2,0,0,0,0|1,0,1]=4 1065 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F Z335440274 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.114 CCOC1=C(C=C(C=C1)C=O)O Z1198155327 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.114 CCOC1=C(C=C(C=C1)CN)C Z606260618 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.114 CCOC1=C(C=C(C=C1)CN)F Z362597728 [0,2,0,0,0,0|1,0,1]=4 1069 B12R1.114 CCOC1=C(C=C(C=C1)OC)N Z239604774 [0,2,0,0,0,0|1,0,1]=4 1070 B12R1.114 COC1=CC(=C(C=C1)CC=O)C Z1198313230 [0,2,0,0,0,0|1,0,1]=4 1071 B12R1.114 COC1=CC(=C(C=C1)CCN)Cl Z1198183309 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.114 COCC1=C(C=C(C=C1)CN)F Z285164108 [0,2,0,0,0,0|1,0,1]=4 1073 B12R1.116 CCOC1=CC=C(C=C1)/C=N/O Z49568529 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.116 CNCC1=CC=C(C=C1)CNC Z5600604489 [0,2,0,0,0,0|0,0,2]=4 1075 B12R1.116 NCCC1=CC=C(C=C1)CCN Z3025680672 [0,2,0,0,0,0|0,0,2]=4 1076 B12R1.288 CC1=C(C=CC(=C1)CCN)C#N Z3571126634 [0,2,0,0,0,0|1,0,1]=4 1077 B12R1.288 CCCC1=CC(=C(C=C1)OC)O Z87001810 [0,2,0,0,0,0|1,0,1]=4 1078 B12R1.288 CCNC1=CC(=C(C=C1)C#N)Cl Z391897754 [0,2,0,0,0,0|1,0,1]=4 1079 B12R1.288 CCNC1=CC(=C(C=C1)C=O)O Z1262605772 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.288 CCOC1=CC(=C(C=C1)C=O)C Z1198168460 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.288 CCOC1=CC(=C(C=C1)C=O)Cl Z1511766843 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.288 CCOC1=CC(=C(C=C1)C=O)O Z56862355 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.288 CCOC1=CC(=C(C=C1)CN)C Z5009842923 [0,2,0,0,0,0|1,0,1]=4 1084 B12R1.288 CNCC1=CC(=C(C=C1)OC)Br Z3243654223 [0,2,0,0,0,0|1,0,1]=4 1085 B12R1.288 CNCC1=CC(=C(C=C1)OC)C Z1101435075 [0,2,0,0,0,0|1,0,1]=4 1086 B12R1.288 CNCC1=CC(=C(C=C1)OC)Cl Z839166898 [0,2,0,0,0,0|1,0,1]=4 1087 B12R1.288 CNCC1=CC(=C(C=C1)OC)F Z85956704 [0,2,0,0,0,0|1,0,1]=4 1088 B12R1.288 CNCC1=CC(=C(C=C1)OC)O Z57842333 [0,2,0,0,0,0|1,0,1]=4 1089 B12R1.288 COC1=C(C=C(C=C1)CCN)Br Z5122698103 [0,2,0,0,0,0|1,0,1]=4 1090 B12R1.288 COC1=C(C=C(C=C1)CCN)Cl Z3295464152 [0,2,0,0,0,0|1,0,1]=4 1091 B12R1.288 COC1=C(C=C(C=C1)CCN)F Z382820754 [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.288 COC1=C(C=C(C=C1)CCO)O Z1198339386 [0,2,0,0,0,0|1,0,1]=4 1093 B12R1.78 CCC1=C(C=CC(=C1)C=O)OC Z1201623458 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.78 CCC1=C(C=CC(=C1)OC)C=O Z1222423530 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.78 CCC1=CC(=C(C=C1)C=O)OC Z1511784907 [0,2,0,0,0,0|1,0,0]=3 1096 B12R1.78 COC1=C(C=C(C=C1)C=O)C#N Z1255390259 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl Z275197002 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.78 COC1=C(C=C(C=C1)C=O)OC Z53837671 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.78 COC1=C(C=C(C=C1)C=O)SC Z1172375520 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.78 COC1=C(C=CC(=C1)C=O)SC Z906125142 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.78 COC1=C(C=CC(=C1)SC)C=O Z1255405607 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.78 COC1=CC(=C(C=C1)C=O)OC Z57772445 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.301 COC1=C(C=C(C=C1Br)C=O)Br Z57772454 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.301 COC1=C(C=C(C=C1C)C=O)C Z361434506 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.301 COC1=C(C=C(C=C1O)C=O)O Z1511745745 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.301 COC1=CC(=C(C(=C1)C)C=O)C Z1198165095 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.301 COC1=CC(=C(C(=C1)C)C=O)O Z1198168937 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.301 COC1=CC(=C(C(=C1)Cl)C=O)Cl Z1269136118 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.301 COC1=CC(=C(C(=C1)F)C=O)Cl Z1511895025 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.301 COC1=CC(=C(C(=C1)F)C=O)F Z1190318855 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.301 COC1=CC(=C(C(=C1)F)C=O)I Z3325870574 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.301 O=CC1=C(C=C(C=C1Cl)CO)Cl Z1269226633 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.450 COC1=C(C=C(C(=C1)Br)C=O)O Z56899131 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.450 COC1=C(C=C(C(=C1)C)C=O)O Z1198157147 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.450 COC1=C(C=C(C(=C1)Cl)C=O)Cl Z1269121971 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.450 COC1=C(C=C(C(=C1)Cl)C=O)O Z1486034909 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)Br Z1269238964 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)C Z1504686729 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F Z1741970484 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)I Z3325778589 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.450 COC1=C(C=C(C(=C1)O)C=O)C Z1222424474 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.450 COC1=C(C=C(C(=C1)O)C=O)F Z1511910157 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.653 COC1=C(C(=C(C=C1)C=O)Br)O Z1269242179 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.653 COC1=C(C(=C(C=C1)C=O)C)C Z1255485215 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.653 COC1=C(C(=C(C=C1)C=O)F)Br Z1862017928 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.653 COC1=C(C(=C(C=C1)C=O)F)F Z1201622919 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.653 COC1=C(C(=C(C=C1)C=O)O)F Z1681334575 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.2 CCC1=C(C(=CC=C1)C)N Z104472756 [0,0,1,1,0,0|1,0,1]=4 1129 B10R1.2 CCC1=C(C(=CC=C1)F)Br Z2631039917 [0,0,1,1,0,0|2,0,0]=4 1130 B10R1.2 CCC1=C(C(=CC=C1)F)N Z4658051452 [0,0,1,1,0,0|2,0,0]=4 1131 B10R1.2 CCC1=C(C(=CC=C1)N)O Z2895200771 [0,0,1,1,0,0|2,0,0]=4 1132 B10R1.2 CCC1=C(C(=CC=C1)O)C Z1255437459 [0,0,1,1,0,0|1,0,1]=4 1133 B12R2.9 CCC1=CC=C(C=C1)C2CO2 Z285186478 [0,1,0,1,0,0|0,0,2]=4 1134 B12R2.9 COC1=CC=C(C=C1)C2CO2 Z278165224 [0,1,0,1,0,0|1,0,1]=4 1135 B12R2.9 N#CC1=CC=C(C=C1)C2CO2 Z278165196 [0,1,0,1,0,0|1,0,1]=4 1136 B12R2.9 NCC1=CC=C(C=C1)C2CC2 Z992239712 [0,1,0,1,0,0|1,0,1]=4 1137 B12R2.9 O=CC1=CC=C(C=C1)C2CC2 Z992239772 [0,1,0,1,0,0|1,0,0]=3 1138 B12R2.9 O=CC1=CN=C(C=C1)C2CC2 Z1255503250 [0,1,0,1,0,0|2,0,0]=4 1139 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 Z1205494871 [0,1,0,1,0,0|1,0,0]=3 1140 B12R2.44 C#CC1=CC2=C(C=C1)NC=C2 Z1201625706 [0,1,0,1,0,0|0,0,2]=4 1141 B12R2.44 CCC1=CC2=C(C=C1)NC=N2 Z1474026103 [0,1,0,1,0,0|1,0,0]=3 1142 B12R2.44 CCC1=CC2=C(C=C1)NCC2 Z1270207865 [0,1,0,1,0,0|0,0,2]=4 1143 B12R2.44 COC1=CC2=C(C=C1)NC=C2 Z104507276 [0,1,0,1,0,0|1,0,0]=3 1144 B12R2.44 COC1=CC2=C(C=C1)NCC2 Z235539064 [0,1,0,1,0,0|1,0,1]=4 1145 B12R2.44 COC1=CC2=C(C=C1)OC=N2 Z1198314976 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.44 COC1=CC2=C(C=C1)SC=N2 Z1198169594 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.44 COC1=NC2=C(C=CN2)C=C1 Z1203732536 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.44 N#CC1=CC2=C(C=C1)CCC2 Z1079178836 [0,1,0,1,0,0|1,0,1]=4 1149 B12R2.44 N#CC1=CC2=C(C=C1)CCN2 Z1198179940 [0,1,0,1,0,0|1,0,1]=4 1150 B12R2.44 N#CC1=CC2=C(C=C1)CCO2 Z1255394026 [0,1,0,1,0,0|1,0,1]=4 1151 B12R2.44 N#CC1=CC2=C(C=C1)CNC2 Z2488962478 [0,1,0,1,0,0|1,0,1]=4 1152 B12R2.44 N#CC1=CC2=C(C=C1)NC=C2 Z1203730728 [0,1,0,1,0,0|1,0,1]=4 1153 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 Z1095349984 [0,1,0,1,0,0|1,0,1]=4 1154 B12R2.44 N#CC1=CC2=C(C=C1)OCC2 Z448237308 [0,1,0,1,0,0|1,0,1]=4 1155 B12R2.44 N#CC1=CC2=C(C=C1)SC=C2 Z1198165874 [0,1,0,1,0,0|1,0,1]=4 1156 B12R2.44 N#CC1=CC2=C(C=CN2)C=C1 Z1201617280 [0,1,0,1,0,0|1,0,1]=4 1157 B12R2.44 NCC1=CC2=C(C=C1)C=NN2 Z3235024497 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Z425449738 [0,1,0,1,0,0|1,0,1]=4 1159 B12R2.44 NCC1=CC2=C(C=C1)CNC2 Z1723549285 [0,1,0,1,0,0|1,0,1]=4 1160 B12R2.44 NCC1=CC2=C(C=C1)COC2 Z970077252 [0,1,0,1,0,0|1,0,1]=4 1161 B12R2.44 NCC1=CC2=C(C=C1)N=CS2 Z3681771763 [0,1,0,1,0,0|2,0,0]=4 1162 B12R2.44 NCC1=CC2=C(C=C1)NC=N2 Z2235810192 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.44 NCC1=CC2=C(C=C1)OCC2 Z448237126 [0,1,0,1,0,0|1,0,1]=4 1164 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 Z1198323676 [0,1,0,1,0,0|1,0,0]=3 1165 B12R2.44 NCC1=CC2=C(C=C1)SC=N2 Z5067435523 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 Z965074230 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.44 NCC1=CC2=NC=CN2C=C1 Z4862494269 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.44 NCC1=CN2C=NC=C2C=C1 Z3093906553 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.44 NCC1=NC2=C(C=C1)OC=C2 Z5197556882 [0,1,0,1,0,0|2,0,0]=4 1170 B12R2.44 NCC1=NC2=C(C=CN2)C=C1 Z2310702029 [0,1,0,1,0,0|2,0,0]=4 1171 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 Z385369954 [0,1,0,1,0,0|1,0,0]=3 1172 B12R2.44 O=CC1=CC2=C(C=C1)CCO2 Z1255367296 [0,1,0,1,0,0|1,0,0]=3 1173 B12R2.44 O=CC1=CC2=C(C=C1)COC2 Z1154372748 [0,1,0,1,0,0|1,0,0]=3 1174 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 Z254198328 [0,1,0,1,0,0|1,0,1]=4 1175 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 Z1201622196 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 Z362120102 [0,1,0,1,0,0|1,0,0]=3 1177 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 Z1201623148 [0,1,0,1,0,0|1,0,1]=4 1178 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 Z1203162328 [0,1,0,1,0,0|1,0,1]=4 1179 B12R2.44 O=CC1=CC2=C(CCC2)N=C1 Z1504670007 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.44 O=CC1=CC2=C(COC2)N=C1 Z3242865178 [0,1,0,1,0,0|2,0,0]=4 1181 B12R2.44 O=CC1=CC2=C(N=C1)NCC2 Z3483964675 [0,1,0,1,0,0|2,0,0]=4 1182 B12R2.44 O=CC1=NC2=C(C=C1)CCC2 Z1551929683 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.44 O=CC1=NC2=C(C=C1)OCC2 Z1813150326 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.44 OCC1=CC2=C(C=C1)C=NN2 Z1198309357 [0,1,0,1,0,0|2,0,0]=4 1185 B12R2.44 OCC1=CC2=C(C=C1)CCC2 Z385370372 [0,1,0,1,0,0|1,0,1]=4 1186 B12R2.44 OCC1=CC2=C(C=C1)COC2 Z1154371719 [0,1,0,1,0,0|1,0,1]=4 1187 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 Z1201621651 [0,1,0,1,0,0|1,0,0]=3 1188 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 Z1201622887 [0,1,0,1,0,0|1,0,0]=3 1189 B12R2.44 OCC1=CC2=CC=NN2C=C1 Z1255416906 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.44 OCC1=CC2=NC=CN2C=C1 Z5087170256 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.44 OCC1=NC2=C(C=CN2)C=C1 Z1486000639 [0,1,0,1,0,0|2,0,0]=4 1192 B8R1.1 C=CC1=CN(N=C1)C Z1238836268 [1,0,0,0,1,0|2,0,0]=4 1193 B8R1.1 CC1=CC(=CS1)C=O Z1198175165 [1,0,0,0,1,0|2,0,0]=4 1194 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [1,0,0,0,1,0|2,0,0]=4 1195 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [1,0,0,0,1,0|2,0,0]=4 1196 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [1,0,0,0,1,0|2,0,0]=4 1197 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [1,0,0,0,1,0|2,0,0]=4 1198 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [1,0,0,0,1,0|2,0,0]=4 1199 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [1,0,0,0,1,0|2,0,0]=4 1200 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [1,0,0,0,1,0|2,0,0]=4 1201 B10R1.172 C=CC1=CC(=CN=C1)C=O Z4958191467 [0,0,0,0,1,1|1,0,1]=4 1202 B10R1.172 C=CC1=NC=CC(=C1)C=O Z1618142690 [0,0,0,0,1,1|1,0,1]=4 1203 B10R1.172 CCC1=CC(=CC=C1)C#N Z1201618078 [0,0,0,0,1,1|1,0,1]=4 1204 B10R1.172 CCC1=CC(=CC=C1)C=O Z1198218859 [0,0,0,0,1,1|1,0,0]=3 1205 B10R1.172 CCC1=CC(=CC=C1)NC Z335280692 [0,0,0,0,1,1|1,0,1]=4 1206 B10R1.172 CCC1=CC(=CN=C1)C=O Z1255382321 [0,0,0,0,1,1|1,0,0]=3 1207 B10R1.172 CCC1=CC(=CN=C1)CN Z2310718462 [0,0,0,0,1,1|1,0,1]=4 1208 B10R1.172 CCC1=CC(=NC=C1)C#N Z1201628048 [0,0,0,0,1,1|1,0,1]=4 1209 B10R1.172 CCC1=CC(=NC=C1)C=O Z1255380583 [0,0,0,0,1,1|1,0,0]=3 1210 B10R1.172 CCC1=NC(=CC=C1)C=O Z1255375781 [0,0,0,0,1,1|2,0,0]=4 1211 B10R1.172 CCC1=NC=CC(=C1)C=O Z1255362037 [0,0,0,0,1,1|1,0,0]=3 1212 B10R1.172 CNC1=CC(=CC=C1)C=O Z1203829743 [0,0,0,0,1,1|2,0,0]=4 1213 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [0,0,0,0,1,1|2,0,0]=4 1214 B10R1.172 COC1=CC(=CN=C1)C=O Z1255365477 [0,0,0,0,1,1|2,0,0]=4 1215 B10R1.172 COC1=CC(=NC=C1)C=O Z1198176555 [0,0,0,0,1,1|2,0,0]=4 1216 B10R1.172 CSC1=CC(=CC=C1)C=O Z1198235179 [0,0,0,0,1,1|2,0,0]=4 1217 B10R1.172 NCC1=CC(=CC=C1)C=O Z3481427925 [0,0,0,0,1,1|2,0,0]=4 1218 B10R1.172 O=CC1=CC=CC(=C1)CBr Z1201623840 [0,0,0,0,1,1|2,0,0]=4 1219 B10R1.172 O=CC1=CC=CC(=C1)CCl Z1205658947 [0,0,0,0,1,1|2,0,0]=4 1220 B10R1.172 O=CC1=CC=CC(=C1)CF Z1511848007 [0,0,0,0,1,1|2,0,0]=4