0 B10R1.13 C=C(C)C1=CN=C(C=C1)Br Z1999517490 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.13 CC(=O)C1=CN=C(C=C1)Br Z1269224642 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl Z1201622182 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 CC(=O)C1=CN=C(C=C1)F Z1198173101 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 CC(=O)C1=NC=C(C=C1)Br Z1945984212 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 CC(=O)C1=NC=C(C=C1)Cl Z1198173098 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 CC(=O)C1=NC=C(C=C1)F Z1575143877 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.13 CC(C)C1=CN=C(N=C1)N Z1137168328 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 CC(C)C1=NC=C(C=N1)N Z381402570 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 CC(C)C1=NN=C(C=C1)Cl Z432063460 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.13 CC1=CC=C(C=C1)B(O)O Z336079532 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.13 CC1=CC=C(C=C1)C(=O)O Z57902424 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] Z104476692 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 CC1=CC=C(C=C1)[S-](=O)=O Z104501328 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [0,0,0,0,0,0|0,0,0]=0 40 B10R1.13 CN(C)C1=NC=C(C=C1)Br Z808607100 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.13 CN(C)C1=NC=C(C=N1)N Z760032920 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 CN(C)C1=NN=C(C=C1)Cl Z108583898 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.13 N=C(N)C1=CC=C(C=C1)Br Z1263602346 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl Z56771179 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.13 N=C(N)C1=CC=C(C=C1)F Z2289798423 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.13 N=C(N)C1=CC=C(C=C1)I Z2574914411 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.13 NC(=S)C1=CC=C(C=C1)Br Z56964597 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.13 NC(=S)C1=CC=C(C=C1)Cl Z57070431 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.13 NC1=CC=C(C=C1)B(O)O Z1741970842 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 NC1=CC=C(C=C1)C(=O)O Z57127446 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] Z275127984 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 O=C(O)C1=CC=C(C=C1)Br Z57127530 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl Z104473324 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.13 O=C(O)C1=CC=C(C=C1)F Z57367354 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 O=C(O)C1=CC=C(C=C1)I Z57636572 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.13 O=C(O)C1=CC=C(C=C1)S Z223639246 [0,0,0,0,0,0|3,1,0]=4 76 B10R1.13 O=C(O)C1=CN=C(C=C1)O Z104500708 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.13 O=P(O)C1=CC=C(C=C1)Cl Z56798029 [0,0,0,0,0,0|3,1,0]=4 78 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)Br Z104474532 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)Cl Z104474568 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)I Z56924538 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O Z57127483 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.13 OB(O)C1=CC=C(C=C1)Br Z1169350731 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.13 OB(O)C1=CC=C(C=C1)Cl Z295122658 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.13 OB(O)C1=CC=C(C=C1)F Z381540956 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.13 OC1=NC=C(C=C1)C(F)F Z1726130896 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.1 CC1=CC=C(C=C1)C#N Z56965882 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 CC1=CC=C(C=C1)C=O Z104477698 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 CC1=CC=C(C=C1)NN Z56911942 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 CNC1=CC=C(C=C1)I Z744582716 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [1,0,0,0,0,0|0,0,0]=1 96 B9R1.1 CNC1=NC=C(C=C1)Br Z359297630 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 CNC1=NC=C(C=C1)C Z359297596 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CNC1=NC=C(C=C1)Cl Z359297632 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 CNC1=NC=C(C=C1)F Z802823886 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 CNC1=NC=C(C=N1)Br Z801570098 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 CNC1=NC=C(C=N1)F Z1203821135 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 CNC1=NC=C(C=N1)I Z1342834460 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 CNC1=NC=C(C=N1)N Z760033016 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 CNC1=NN=C(C=C1)C Z802821708 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 COC1=CC=C(C=C1)C Z53834227 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 COC1=CC=C(C=C1)F Z53834743 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 COC1=CC=C(C=C1)N Z56938150 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 CSC1=CN=C(C=C1)N Z412025068 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 CSC1=NC=C(C=C1)N Z412022842 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 CSC1=NC=C(C=N1)O Z1198152371 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 N#CC1=CC=C(C=C1)Br Z55928801 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 N#CC1=CC=C(C=C1)Cl Z56942044 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 N#CC1=CC=C(C=C1)I Z57899725 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 N#CC1=CC=C(C=C1)N Z57073771 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 N#CC1=CC=C(C=C1)O Z104473840 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 NNC1=CC=C(C=C1)Cl Z56776889 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 O=CC1=CC=C(C=C1)Br Z57162109 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 O=CC1=CC=C(C=C1)Cl Z57772447 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 O=CC1=CC=C(C=C1)F Z104472914 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 O=CC1=CC=C(C=C1)I Z57887684 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 O=CC1=CC=C(C=C1)O Z57127520 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.1 O=CC1=CC=C(C=C1)S Z1198150788 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.1 O=CC1=CN=C(C=C1)O Z1741969170 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 O=CC1=NC=C(C=C1)O Z1741979912 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.6 CN(C)C1=CC=NC=C1 Z104478964 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.6 CN(C)C1=CN=CC=C1 Z1201619922 [1,0,0,0,0,0|1,0,0]=2 156 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [1,0,0,0,0,0|1,0,0]=2 157 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N Z56820417 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.3 CC(=O)C1=CC=C(C=C1)CN Z3018118044 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.3 CC(C)C1=CC=C(C=C1)C#N Z56964596 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.3 CC(C)C1=CC=C(C=C1)C=O Z104476006 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.3 CC(C)C1=CN=C(C=C1)C#N Z1255468507 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.3 CC(C)C1=CN=C(C=C1)CN Z5003080135 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.3 CC(C)C1=NC=C(C=C1)C#N Z1255453358 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.3 CC(C)C1=NC=C(C=C1)C=O Z1255402249 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.3 CC(N)C1=CC=C(C=C1)C#N Z381061562 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.3 CC(N)C1=CC=C(C=C1)CN Z2063791526 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.3 CCC1=CC=C(C=C1)C(C)N Z56347251 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.3 CCC1=CC=C(C=C1)[C@H](C)N Z1536943321 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.3 CN(C)C1=CC=C(C=C1)C#N Z57756572 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.3 CN(C)C1=CC=C(C=C1)C=O Z57127528 [0,1,0,0,0,0|0,0,1]=2 185 B11R1.3 CN(C)C1=CC=C(C=C1)CN Z90122421 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.3 CN(C)C1=CC=C(C=C1)CO Z228585234 [0,1,0,0,0,0|0,0,0]=1 187 B11R1.3 CN(C)C1=CN=C(C=C1)C#N Z1255430701 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.3 CN(C)C1=CN=C(C=C1)C=O Z1255434290 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.3 CN(C)C1=NC=C(C=C1)C#N Z281802052 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.3 CN(C)C1=NC=C(C=C1)C=O Z1162448666 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.3 CN(C)C1=NC=C(C=C1)CN Z270758784 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.3 CN(C)C1=NC=C(C=N1)C=O Z274575566 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.3 CN(C)C1=NC=C(C=N1)CN Z1688198414 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.3 CN(C)C1=NC=C(N=C1)C#N Z1217200888 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.3 CN(C)C1=NC=C(N=C1)C=O Z1198277952 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.3 CN(C)C1=NC=C(N=C1)CN Z3304108429 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.3 CNC1=CC=C(C=C1)C(=O)C Z1082871512 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.3 COC1=CC=C(C=C1)B(O)O Z336079536 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.3 COC1=CC=C(C=C1)C(=N)N Z228583094 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.3 COC1=CC=C(C=C1)C(=O)C Z53832960 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.3 COC1=CC=C(C=C1)C(=O)N Z33546492 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.3 COC1=CC=C(C=C1)C(=O)O Z56931884 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.3 COC1=CC=C(C=C1)C(=S)N Z56964598 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.3 COC1=CC=C(C=C1)N(C)C Z57243982 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] Z31131411 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.3 CS(=O)C1=CC=C(C=C1)C=O Z1184878668 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.3 CS(=O)C1=CC=C(C=C1)CN Z1269182102 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.3 CSC1=CC=C(C=C1)C(=O)C Z57036277 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.3 CSC1=CC=C(C=C1)C(C)N Z425449608 [0,1,0,0,0,0|2,1,0]=4 215 B11R1.3 NC(=O)C1=CC=C(C=C1)CO Z33545420 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.3 O=C(O)C1=CC=C(C=C1)CO Z56917404 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.3 OCC1=CC=C(C=C1)B(O)O Z1203162320 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br Z299596150 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N Z104473848 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O Z57127886 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.19 CC(C)(C)C1=CNC(=O)C=C1 Z2284401490 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.19 CC(C)(C)C1=NC=C(C=C1)N Z2935931505 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.19 CC(C)(C)C1=NC=C(N=C1)O Z1255400224 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Br Z406678874 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl Z449374202 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F Z449374056 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.19 CC(C)(N)C1=CC=C(C=C1)I Z5225137620 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.19 CC(C)(O)C1=CC=C(C=C1)Br Z449374220 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.19 CC1=NC=C(C=C1)C(C)(C)O Z1095367298 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.19 CP(=O)(C)C1=CN=C(C=C1)Cl Z3300755052 [0,1,0,0,0,0|2,1,0]=4 232 B11R1.19 CP(=O)(C)C1=CN=C(C=C1)F Z4009424272 [0,1,0,0,0,0|2,1,0]=4 233 B11R1.19 CS(=N)(=O)C1=CC=C(C=C1)N Z1262638032 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br Z432550092 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Cl Z56757032 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)F Z57475486 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N Z85926241 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O Z147646800 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O Z360053740 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.19 O=S(=O)(F)C1=CC=C(C=C1)O Z1513807665 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O Z2583059497 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F Z56347220 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)C Z1269191523 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)Cl Z1269244993 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F Z1269159079 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)N Z1269218710 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)C Z104477440 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)F Z513735432 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N Z1198175137 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Br Z1269168018 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl Z104475662 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F Z1201622912 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)N Z979493752 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br Z199532232 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)C Z606338894 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Cl Z335437578 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F Z56968900 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)N Z1198150660 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O Z1201626572 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)N Z1255447249 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)O Z1198158301 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.21 CC(Br)C1=CC(=C(C=C1)Cl)Cl Z381392948 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.21 CC(Br)C1=CC(=C(C=C1)F)Cl Z381393046 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.21 CC(C)C1=CC(=C(C=C1)F)N Z4722235861 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Cl Z1262643307 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N Z1198154332 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.21 CC(C)C1=CC(=C(C=C1)O)N Z57441596 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.21 CC(C)C1=CNC(=O)C(=C1)Br Z4505547559 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)F Z3213740225 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)O Z1551939587 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)Cl Z56347253 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)F Z1198724032 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.21 CC(N)C1=CC(=C(C=C1)F)Cl Z335437988 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.21 CC(O)C1=CC(=C(C=C1)Br)F Z1436188584 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.21 CC(O)C1=CC(=C(C=C1)Cl)Cl Z335245002 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.21 CC(O)C1=CC(=C(C=C1)F)Cl Z335438560 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.21 CC(O)C1=CC(=C(C=C1)F)F Z228586306 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.21 CC1=C(C=C(C=C1)C(C)N)C Z285186052 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.21 CC1=C(C=C(C=C1)C(C)N)F Z363990474 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.21 CC1=C(C=CC(=C1)C(C)N)F Z1359429587 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.21 CC1=C(C=CC(=C1)N(C)C)O Z4988450441 [0,1,0,0,0,0|0,0,0]=1 293 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O Z415740536 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.21 CN(C)C1=CC(=C(C=C1)I)Br Z1995177367 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Br Z1696091701 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Cl Z1127664214 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055342 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)Cl Z1127664454 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)F Z360055916 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)Cl)Cl Z1962166972 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)F)Br Z360056272 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055344 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Br Z360056260 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Cl Z1127664340 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)F Z360055912 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.21 NC1=C(C=CC(=C1)[N+](=O)[O-])O Z56346992 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)Br Z442212768 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)Cl Z99601186 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)F Z382708858 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)O Z1255450010 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.22 C=C(CO)C1=CC=C(C=C1)C Z1896562587 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.22 CC(C#N)C1=CC=C(C=C1)Br Z1269233209 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.22 CC(C#N)C1=CC=C(C=C1)Cl Z1198147665 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.22 CC(C=O)C1=CC=C(C=C1)Br Z1269114153 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.22 CC(C=O)C1=CC=C(C=C1)Cl Z1198334992 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.22 CC(C=O)C1=CC=C(C=C1)F Z1255400140 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.22 CC1=CC=C(C=C1)C(C)C#N Z415654732 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.22 CC1=CC=C(C=C1)C(C)C=O Z1198150045 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl Z159528172 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.22 CNC(C)C1=CC=C(C=C1)F Z166605480 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.22 CNC(C)C1=NC=C(C=C1)Cl Z1392162358 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.22 COC(=O)C1=CC=C(C=C1)Br Z19682625 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.22 COC(=O)C1=CC=C(C=C1)I Z19776689 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.22 COC(=O)C1=CC=C(C=C1)N Z54178705 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.22 N/C(=N\O)/C1=CC=C(C=C1)O Z156964722 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br Z57708731 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.22 O=C(CBr)C1=CC=C(C=C1)F Z104495742 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Br Z56886263 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F Z1269134115 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)N Z906123248 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O Z57790679 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.166 CC(=O)C1=C(C=C(C=C1)C)O Z169857138 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl Z104477446 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O Z1255487749 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br Z1269135621 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)C Z1020765764 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl Z107334162 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F Z57046231 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O Z1080542132 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.166 CC(=O)C1=C(C=C(C=C1)I)O Z1269204587 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)C Z1198307593 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl Z1206884651 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)C Z1255386683 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl Z1222422341 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F Z1123826135 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O Z57101026 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.166 CC(C)C1=C(C=C(C=C1)Br)F Z1486025406 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.166 CC(C)C1=C(C=C(C=C1)F)N Z4697442277 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.166 CC(C)C1=C(C=C(C=C1)N)F Z1262668944 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.166 CC(C)C1=C(C=C(C=C1)N)N Z1198148869 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.166 CC(N)C1=C(C=C(C=C1)Br)F Z1269138850 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.166 CC(N)C1=C(C=C(C=C1)Cl)Cl Z55928863 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.166 CC(N)C1=C(C=C(C=C1)Cl)F Z4502817384 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.166 CC(N)C1=C(C=C(C=C1)F)Cl Z446021018 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.166 CC(N)C1=C(C=C(C=C1)F)F Z56347428 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.166 CC(O)C1=C(C=C(C=C1)Br)F Z1171210737 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.166 CC(O)C1=C(C=C(C=C1)Cl)Cl Z335245158 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.166 CC(O)C1=C(C=C(C=C1)F)F Z228586308 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.166 CC1=C(C=CC(=C1)Br)C(C)C Z1861997013 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)N Z1255467737 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O Z1255361025 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C Z104476618 [0,1,0,0,0,0|1,0,0]=2 425 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] Z85922875 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O Z57127464 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)N)C Z1217910494 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.166 CC1=CC(=C(N=N1)N(C)C)N Z2353508696 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.166 CN(C)C1=C(C=C(C=C1)Cl)N Z90662154 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl Z270758712 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.166 CS(=O)C1=C(C=C(C=C1)N)F Z1262251409 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)Cl)Cl Z1889710318 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)F)Cl Z360056252 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.166 C[C@@H](N)C1=C(C=C(C=C1)F)F Z1366975561 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)Cl Z360056250 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)F Z360055930 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.166 C[C@H](N)C1=C(C=C(C=C1)F)F Z1366975537 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)Cl Z360056244 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)F Z360055924 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)F Z1201620915 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)O Z104502292 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)Cl Z859818112 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)F Z825783030 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.166 O=[N+]([O-])C1=C(C=C(C=C1)O)O Z336080410 [0,1,0,0,0,0|2,0,1]=4 447 B11R2.34 BrC1=CC=C(C=C1)C2CO2 Z278165164 [0,0,0,1,0,0|3,0,0]=4 448 B11R2.34 BrC1=CC=C(C=C1)[C@@H]2CO2 Z1198177141 [0,0,0,1,0,0|3,0,0]=4 449 B11R2.34 BrC1=CC=C(C=C1)[C@H]2CO2 Z1198177142 [0,0,0,1,0,0|3,0,0]=4 450 B11R2.34 BrC1=CN=C(C=C1)C2CC2 Z2943484009 [0,0,0,1,0,0|3,0,0]=4 451 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [0,0,0,1,0,0|3,0,0]=4 452 B11R2.34 ClC1=CC=C(C=C1)C2CO2 Z274971352 [0,0,0,1,0,0|3,0,0]=4 453 B11R2.34 ClC1=CC=C(C=C1)[C@@H]2CO2 Z1255450845 [0,0,0,1,0,0|3,0,0]=4 454 B11R2.34 ClC1=CC=C(C=C1)[C@H]2CO2 Z1198173162 [0,0,0,1,0,0|3,0,0]=4 455 B11R2.34 FC1=CC=C(C=C1)C2CO2 Z238878272 [0,0,0,1,0,0|3,0,0]=4 456 B11R2.34 FC1=CC=C(C=C1)[C@@H]2CO2 Z1255365381 [0,0,0,1,0,0|3,0,0]=4 457 B11R2.34 FC1=CC=C(C=C1)[C@H]2CO2 Z1255356921 [0,0,0,1,0,0|3,0,0]=4 458 B11R2.34 OC1=CN=C(N=C1)C2CC2 Z1255433581 [0,0,0,1,0,0|3,0,0]=4 459 B9R1.35 CC(C)N1C=C(C=N1)O Z1617993976 [0,0,0,0,1,0|3,0,0]=4 460 B9R1.35 CC(C)N1C=CC(=N1)O Z1618149672 [0,0,0,0,1,0|3,0,0]=4 461 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Br)/[O-] Z57107891 [0,0,0,0,0,1|2,0,1]=4 462 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Cl)/[O-] Z57107890 [0,0,0,0,0,1|2,0,1]=4 463 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [0,0,0,0,0,1|3,0,0]=4 464 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [0,0,0,0,0,1|3,0,0]=4 465 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [0,0,0,0,0,1|3,0,0]=4 466 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [0,0,0,0,0,1|3,0,0]=4 467 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [0,0,0,0,0,1|3,0,0]=4 468 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [0,0,0,0,0,1|3,0,0]=4 469 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [0,0,0,0,0,1|2,0,0]=3 470 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [0,0,0,0,0,1|2,1,0]=4 471 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [0,0,0,0,0,1|2,0,0]=3 472 B11R1.20 CC(=S)NC1=CC=C(C=C1)F Z56756640 [0,0,0,0,0,1|3,0,0]=4 473 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [0,0,0,0,0,1|2,0,0]=3 474 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [0,0,0,0,0,1|3,0,0]=4 475 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [0,0,0,0,0,1|2,0,0]=3 476 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [0,0,0,0,0,1|2,0,0]=3 477 B11R1.20 CC(C)NC1=NC=C(C=C1)Br Z359297038 [0,0,0,0,0,1|3,0,0]=4 478 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [0,0,0,0,0,1|2,0,0]=3 479 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [0,0,0,0,0,1|2,0,0]=3 480 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [0,0,0,0,0,1|3,0,0]=4 481 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [0,0,0,0,0,1|2,0,0]=3 482 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [0,0,0,0,0,1|2,0,0]=3 483 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [0,0,0,0,0,1|2,0,0]=3 484 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [0,0,0,0,0,1|1,0,0]=2 485 B11R1.20 CN(C)CC1=CN=C(C=C1)N Z1723849137 [0,0,0,0,0,1|2,0,0]=3 486 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|1,0,1]=4 487 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|1,0,0]=3 488 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|0,0,0]=2 492 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|1,0,0]=3 493 B8R1.2 CNC1=NC=CC=N1 Z54628578 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.2 CNC1=NC=NC=C1 Z800212728 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.2 CNC1=NN=CC=C1 Z991530894 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,0]=3 497 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 499 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|1,0,0]=3 502 B8R1.2 NNC1=NC=CC=C1 Z56887722 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.3 BrC1=CC=C(C=C1)Br Z104474572 [2,0,0,0,0,0|2,0,0]=4 505 B8R1.3 BrC1=CC=C(C=C1)I Z299596184 [2,0,0,0,0,0|2,0,0]=4 506 B8R1.3 CC1=CC=C(C=C1)C Z199056432 [2,0,0,0,0,0|1,0,0]=3 507 B8R1.3 CC1=CC=C(C=C1)Cl Z56924546 [2,0,0,0,0,0|1,0,0]=3 508 B8R1.3 CC1=CC=C(C=C1)F Z104473648 [2,0,0,0,0,0|1,0,0]=3 509 B8R1.3 CC1=CC=C(C=C1)N Z57127875 [2,0,0,0,0,0|1,0,0]=3 510 B8R1.3 CC1=CC=C(C=C1)O Z104473818 [2,0,0,0,0,0|0,0,0]=2 511 B8R1.3 CC1=CN=C(C=C1)Br Z415645054 [2,0,0,0,0,0|2,0,0]=4 512 B8R1.3 CC1=CN=C(C=C1)N Z104475374 [2,0,0,0,0,0|2,0,0]=4 513 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [2,0,0,0,0,0|1,0,0]=3 514 B8R1.3 CC1=CN=C(C=C1)S Z271138132 [2,0,0,0,0,0|1,1,0]=4 515 B8R1.3 CC1=NC=C(C=C1)N Z425834586 [2,0,0,0,0,0|2,0,0]=4 516 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [2,0,0,0,0,0|1,0,0]=3 517 B8R1.3 ClC1=CC=C(C=C1)Cl Z104476304 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.3 NC1=CC=C(C=C1)Cl Z104472774 [2,0,0,0,0,0|1,0,0]=3 519 B8R1.3 NC1=CC=C(C=C1)F Z57127563 [2,0,0,0,0,0|1,0,0]=3 520 B8R1.3 NC1=CC=C(C=C1)I Z57127369 [2,0,0,0,0,0|1,0,0]=3 521 B8R1.3 NC1=CC=C(C=C1)N Z104472524 [2,0,0,0,0,0|1,0,0]=3 522 B8R1.3 NC1=CC=C(C=C1)O Z57127517 [2,0,0,0,0,0|0,0,0]=2 523 B8R1.3 NC1=CN=C(C=C1)Cl Z335436282 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.3 NC1=CN=C(C=C1)I Z56788762 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.3 NC1=CN=C(C=C1)N Z385438796 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.3 NC1=CN=C(C=C1)O Z385458150 [2,0,0,0,0,0|1,0,0]=3 527 B8R1.3 NC1=NC=C(C=C1)Br Z57073814 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.3 NC1=NC=C(C=C1)Cl Z104475596 [2,0,0,0,0,0|2,0,0]=4 529 B8R1.3 NC1=NC=C(C=C1)F Z223120142 [2,0,0,0,0,0|2,0,0]=4 530 B8R1.3 NC1=NC=C(C=N1)O Z1198175903 [2,0,0,0,0,0|2,0,0]=4 531 B8R1.3 O=C1C=CC(=O)C=C1 Z104474802 [2,0,0,0,0,0|1,0,1]=4 532 B8R1.3 OC1=CC=C(C=C1)Br Z57127362 [2,0,0,0,0,0|1,0,0]=3 533 B8R1.3 OC1=CC=C(C=C1)Cl Z104473434 [2,0,0,0,0,0|1,0,0]=3 534 B8R1.3 OC1=CC=C(C=C1)I Z104496300 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.3 OC1=CC=C(C=C1)O Z57127551 [2,0,0,0,0,0|1,0,0]=3 536 B8R1.3 OC1=CN=C(C=C1)Br Z1201622821 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.3 OC1=CN=C(C=C1)I Z1269183606 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.3 OC1=NC=C(C=C1)Cl Z2235409237 [2,0,0,0,0,0|2,0,0]=4 540 B8R1.3 OC1=NC=C(C=C1)F Z594267896 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.3 OC1=NC=C(C=C1)I Z1269227573 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.3 SC1=CC=C(C=C1)Cl Z57834219 [2,0,0,0,0,0|1,1,0]=4 543 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|0,0,0]=2 552 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,1,0]=4 558 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.1 O/N=C/C1=CC=C(C=C1)O Z49568314 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,1,0,0,0,0|0,0,1]=3 581 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.3 C#CC1=CC=C(C=C1)CC Z1080385542 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.3 C#CC1=CC=C(C=C1)CO Z1255489573 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.3 CCC1=CC=C(C=C1)C#N Z57900361 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.3 CNC1=CC=C(C=C1)C#N Z331873490 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [1,1,0,0,0,0|0,0,1]=3 591 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [1,1,0,0,0,0|0,0,0]=2 593 B10R1.3 CNC1=CC=C(C=C1)SC Z335261640 [1,1,0,0,0,0|0,1,0]=3 594 B10R1.3 CNC1=CN=C(C=C1)OC Z335249570 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.3 CNC1=NC=C(C=C1)C#N Z281802064 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.3 CNC1=NC=C(C=C1)OC Z1255359415 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.3 CNC1=NC=C(C=N1)OC Z1203748902 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [1,1,0,0,0,0|1,1,0]=4 602 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.3 COC1=NC=C(C=C1)CO Z800297984 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.3 CSC1=CC=C(C=C1)C#N Z57900348 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.3 CSC1=CC=C(C=C1)CCl Z56347089 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.3 CSC1=CC=C(C=C1)CN Z54751956 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.3 N#CC1=CC=C(C=C1)CO Z335244916 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.3 NCC1=CC=C(C=C1)CO Z385458374 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.3 O=CC1=CC=C(C=C1)CO Z1255384176 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.25 CC1=C(C=CC(=C1)O)C#N Z1255452759 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.25 CC1=C(C=CC(=C1)O)C=O Z1161074806 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.25 CC1=CC(=C(C=C1)NN)C Z56961369 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 CCC1=C(C=C(C=C1)Br)Cl Z1551924119 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.25 CCC1=C(C=C(C=C1)C)O Z1198181015 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.25 CCC1=C(C=C(C=C1)Cl)Cl Z1862006036 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.25 CCC1=C(C=C(C=C1)F)N Z4670692131 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.25 CCC1=C(C=C(C=C1)N)F Z1203583183 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.25 CCC1=C(C=C(C=C1)N)I Z4120967362 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.25 CCC1=C(C=C(C=C1)O)O Z104499414 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.25 CNC1=C(C=C(C=C1)Br)C Z335260018 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.25 CNC1=C(C=C(C=C1)Br)Cl Z391885374 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.25 CNC1=C(C=C(C=C1)Br)F Z803129926 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.25 CNC1=C(C=C(C=C1)Br)N Z359511404 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.25 CNC1=C(C=C(C=C1)C)Br Z335255150 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.25 CNC1=C(C=C(C=C1)C)C Z335249338 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.25 CNC1=C(C=C(C=C1)C)F Z2289768913 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.25 CNC1=C(C=C(C=C1)C)N Z394648996 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.25 CNC1=C(C=C(C=C1)Cl)F Z1966571852 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.25 CNC1=C(C=C(C=C1)Cl)I Z4968144357 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.25 CNC1=C(C=C(C=C1)Cl)N Z359511424 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.25 CNC1=C(C=C(C=C1)F)Cl Z4102405978 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.25 CNC1=C(C=C(C=C1)F)I Z3476924845 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.25 CNC1=C(C=C(C=C1)F)N Z359511402 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.25 CNC1=C(C=C(C=C1)N)C Z385462228 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.25 CNC1=C(C=C(C=C1)O)C Z2740415969 [1,1,0,0,0,0|0,0,0]=2 637 B10R1.25 CNC1=C(C=C(C=N1)Br)N Z784893422 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 CNC1=C(C=C(C=N1)Cl)Cl Z54160747 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.25 CNC1=C(C=C(C=N1)F)F Z1982493995 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 COC1=C(C=C(C=C1)Br)F Z54183592 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.25 COC1=C(C=C(C=C1)Br)N Z330803600 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.25 COC1=C(C=C(C=C1)Br)S Z367661854 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 COC1=C(C=C(C=C1)C)N Z104477476 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 COC1=C(C=C(C=C1)Cl)I Z1269181635 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 COC1=C(C=C(C=C1)Cl)N Z56782009 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.25 COC1=C(C=C(C=C1)F)N Z332375930 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 COC1=C(C=C(C=C1)I)Br Z362776936 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 COC1=C(C=C(C=C1)I)F Z57073900 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 COC1=C(C=C(C=C1)N)Br Z57450975 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.25 COC1=C(C=C(C=C1)N)F Z362635046 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 COC1=C(C=C(C=C1)N)O Z104494830 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 COC1=C(C=C(C=C1)O)F Z415739536 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=C(C=C(C=C1)O)I Z1269222013 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.25 CSC1=C(C=C(C=C1)Br)N Z412043196 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.25 CSC1=C(C=C(C=C1)Cl)N Z234894267 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 CSC1=C(C=C(C=C1)F)N Z803129932 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 CSC1=C(C=C(C=C1)N)Br Z852342876 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 CSC1=C(C=C(C=C1)N)Cl Z412040302 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.25 CSC1=C(C=C(C=C1)N)F Z412032312 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 CSC1=C(C=C(C=C1)O)Br Z1269227695 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.25 CSC1=C(C=C(C=C1)O)C Z277164168 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.25 N#CC1=C(C=C(C=C1)O)F Z1157728598 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 N#CC1=C(C=C(C=C1)O)O Z1255361029 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 NCC1=C(C=C(C=C1)O)F Z3244923137 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 NCC1=C(C=C(C=C1)O)O Z2350903951 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 NNC1=C(C=C(C=C1)F)Br Z216309312 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 NNC1=C(C=C(C=C1)F)F Z104474200 [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 B10R1.176 CC1=C(C=CC(=C1)C#N)O Z606249182 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.176 CC1=C(C=CC(=C1)C=O)O Z1082846778 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.176 CCC1=CC(=C(C=C1)Br)Cl Z1551924078 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.176 CCC1=CC(=C(C=C1)Br)N Z2753220544 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.176 CCC1=CC(=C(C=C1)N)F Z1255421063 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.176 CCC1=CC(=C(C=C1)N)N Z1198311235 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.176 CCC1=CC(=C(C=C1)O)C Z1255463943 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.176 CCC1=CC(=C(C=C1)O)N Z1318147478 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.176 CNC1=CC(=C(C=C1)Br)C Z335264426 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.176 CNC1=CC(=C(C=C1)F)F Z335273034 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.176 COC1=CC(=C(C=C1)Br)N Z406520438 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.176 COC1=CC(=C(C=C1)C)N Z1203578033 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.176 COC1=CC(=C(C=C1)Cl)C Z54850187 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.176 COC1=CC(=C(C=C1)Cl)N Z1259341039 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.176 COC1=CC(=C(C=C1)F)Br Z1269188737 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.176 COC1=CC(=C(C=C1)F)N Z1198319952 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.176 COC1=CC(=C(C=C1)I)C Z1269244593 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.176 COC1=CC(=C(C=C1)N)Br Z425366392 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.176 COC1=CC(=C(C=C1)N)C Z239604794 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.176 COC1=CC(=C(C=C1)N)Cl Z425366376 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.176 COC1=CC(=C(C=C1)N)F Z425366382 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.176 COC1=CC(=C(C=C1)N)I Z1868316833 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.176 COC1=NC(=C(C=C1)O)C Z1255447798 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.176 CSC1=CC(=C(C=C1)Br)O Z1269146558 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.176 CSC1=CC(=C(C=C1)C)N Z1037567098 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.176 CSC1=CC(=C(C=C1)Cl)N Z2507870687 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.176 N#CC1=CC(=C(C=C1)O)Cl Z99599532 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.176 N#CC1=CC(=C(C=C1)O)I Z1269175329 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.176 N#CC1=CC(=C(C=C1)O)N Z425853908 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.176 NCC1=CC(=C(C=C1)O)Br Z1436472846 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.176 NCC1=CC(=C(C=C1)O)Cl Z2757555437 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.176 NCC1=CC(=C(C=C1)O)F Z1250080941 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.176 NCC1=CC(=C(C=C1)O)O Z1272096628 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.176 NNC1=CC(=C(C=C1)Cl)Cl Z56970985 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.176 O=CC1=CC(=C(C=C1)O)Br Z56960236 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.176 O=CC1=CC(=C(C=C1)O)Cl Z57313902 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.176 O=CC1=CC(=C(C=C1)O)F Z385458796 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.176 O=CC1=CC(=C(C=C1)O)O Z56957508 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.176 OCC1=CC(=C(C=C1)O)Cl Z839172284 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.176 OCC1=CC(=C(C=C1)O)F Z385458838 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.28 CC(C)(Br)C1=CC=CC=C1 Z2520694454 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.28 CC(C)(C)C1=CC=CC=C1 Z104478422 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.28 CC(C)(N)C1=CC=CC=C1 Z336079658 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 Z431522400 [1,1,0,0,0,0|0,0,1]=3 743 B10R1.61 C=C(C)C1=C(C=CC=C1)Br Z1238836250 [1,1,0,0,0,0|1,0,1]=4 744 B10R1.61 CC(=O)C1=C(C=CC=C1)Br Z219997444 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl Z104473116 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.61 CC(=O)C1=C(C=CC=C1)F Z104475574 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.61 CC(=O)C1=C(C=CC=C1)I Z1080378952 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.61 CC(C)C1=C(C=CC=C1)Br Z1201618204 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.61 CC(C)C1=C(C=CC=C1)N Z104475672 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.61 CC(C)C1=C(C=CN=C1)N Z1192004736 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.61 CC(C)C1=C(C=CN=C1)O Z1255421924 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.61 CC(N)C1=C(C=CC=C1)F Z56347426 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.61 CC(N)C1=C(C=CC=C1)O Z234895795 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.61 CC(O)C1=C(C=CC=C1)Cl Z335244972 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.61 CC(O)C1=C(C=CC=C1)N Z734526976 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.61 CN(C)C1=C(C=CC=C1)I Z840599616 [1,1,0,0,0,0|0,0,0]=2 763 B10R1.61 CN(C)C1=C(C=CC=C1)N Z234893807 [1,1,0,0,0,0|0,0,0]=2 764 B10R1.61 CN(C)C1=C(C=CC=C1)O Z2681253687 [1,1,0,0,0,0|0,0,0]=2 765 B10R1.61 CN(C)C1=C(C=CN=C1)N Z1203580770 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.61 CN(C)C1=C(C=NC=C1)N Z359373420 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.61 CN(C)C1=C(C=NC=N1)N Z1203583481 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.61 CN(C)C1=C(N=CC=C1)N Z1203587145 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.61 CS(=O)C1=C(C=CC=C1)N Z609980396 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Br Z1696289917 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Cl Z360055184 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Br Z1127664407 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Cl Z360055178 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.61 C[C@H](N)C1=C(C=CC=C1)Br Z1696289881 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Br Z1127664292 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Cl Z360055172 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.113 C=C(C)C1=CC(=CC=C1)N Z1203585283 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.113 CC(=O)C1=CC(=CC=C1)Br Z104472956 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.113 CC(=O)C1=CC(=CC=C1)C Z104482920 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl Z104477350 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.113 CC(=O)C1=CC(=CC=C1)N Z57127443 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.113 CC(C)C1=CC(=NC=C1)N Z1203581683 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.113 CC(C)C1=NC=CC(=C1)N Z4438672474 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.113 CC(N)C1=CC(=CC=C1)Br Z239626864 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.113 CC(N)C1=CC(=CC=C1)Cl Z56347061 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.113 CC(N)C1=CC(=CC=C1)F Z56347483 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.113 CC(N)C1=CC(=CC=C1)O Z426041632 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.113 CC(O)C1=CC(=CC=C1)Cl Z335244960 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.113 CC(O)C1=CC(=CC=C1)F Z335245218 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.113 CN(C)C1=CC(=CC=C1)F Z1201621444 [1,1,0,0,0,0|0,0,0]=2 800 B10R1.113 CN(C)C1=CC(=CN=C1)Br Z1269162558 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.113 CN(C)C1=CC(=CN=C1)I Z5109364806 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.113 CN(C)C1=CC(=CN=C1)N Z1203580695 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.113 CN(C)C1=CC(=NC=C1)N Z1649893457 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.113 CN(C)C1=CC(=O)NN=C1 Z2301438383 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.113 CN(C)C1=NC(=CN=C1)Cl Z850998362 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.113 CN(C)C1=NC(=N)C=CN1 Z1255523398 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.113 CN(C)C1=NC(=NC=C1)N Z1203579775 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.113 CN(C)C1=NC=CC(=C1)Cl Z1198183149 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.113 CN(C)C1=NC=CC(=C1)N Z851809480 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.113 CN(C)C1=NC=NC(=C1)N Z1203579223 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.113 CS(=O)C1=CC(=CC=C1)N Z609980392 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Br Z803153182 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Cl Z360055382 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Br Z803153180 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Cl Z360055386 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.31 CN(C)C1=CC=C(S1)C=O Z90122611 [0,1,0,0,1,0|1,0,1]=4 819 B12R1.4 C#CC1=CC=C(C=C1)OC(C)C Z1080385566 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO Z228585230 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [0,1,0,0,0,1|1,0,1]=4 822 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [0,1,0,0,0,1|1,0,0]=3 823 B12R1.4 CC(C)NC1=CC=C(C=C1)CN Z4905251594 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.4 CC(C)OC1=CC=C(C=C1)C#N Z53834533 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [0,1,0,0,0,1|1,0,1]=4 826 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [0,1,0,0,0,1|1,0,0]=3 827 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.4 CCC1=CC=C(C=C1)NC(C)C Z266668684 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N Z54750053 [0,1,0,0,0,1|1,0,0]=3 830 B12R1.4 CN(C)CC1=CC=C(C=C1)C=O Z1065726000 [0,1,0,0,0,1|0,0,1]=3 831 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [0,1,0,0,0,1|0,0,0]=2 832 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)F Z1216844087 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.19 CC(C)NC1=CC(=C(C=C1)Cl)Cl Z267194630 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)Cl Z955172598 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)F Z839157364 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.19 CC1=C(C=C(C=C1)CN(C)C)N Z335289232 [0,1,0,0,0,1|1,0,0]=3 843 B12R1.19 CC1=C(C=CC(=C1)CN(C)C)N Z335289244 [0,1,0,0,0,1|1,0,0]=3 844 B12R1.19 CC1=C(C=CC(=C1)OC(C)C)N Z239604804 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.19 CN(C)CC1=CC(=C(C=C1)N)F Z1097100932 [0,1,0,0,0,1|1,0,0]=3 846 B12R1.19 CN(C)CC1=CC(=C(C=C1)O)Cl Z1945695050 [0,1,0,0,0,1|0,0,0]=2 847 B12R1.20 C=C(C)C(=O)C1=CC=C(C=C1)O Z1513599636 [0,1,0,0,0,1|1,0,1]=4 848 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)O Z335806634 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl Z385417200 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)N Z1198162397 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [0,1,0,0,0,1|1,0,0]=3 852 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.20 CC1=NC=C(C=C1)C(=O)N(C)C Z254582072 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br Z32014422 [0,1,0,0,0,1|1,0,0]=3 858 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl Z32014358 [0,1,0,0,0,1|1,0,0]=3 859 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I Z32014382 [0,1,0,0,0,1|1,0,0]=3 860 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)N Z56979314 [0,1,0,0,0,1|1,0,0]=3 861 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O Z68247175 [0,1,0,0,0,1|0,0,0]=2 862 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)Cl Z32014550 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)F Z1183725964 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)N Z959882994 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.49 CCC(=O)NC1=CC=C(C=C1)O Z223656304 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,1,0,0,0,1|1,0,0]=3 874 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.49 COC(=O)NC1=CC=C(C=C1)O Z335810072 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O Z166646964 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.106 CC(C)(C)CC1=CC=C(C=C1)Br Z1681356955 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)Br Z1203159865 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N Z362795876 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)N Z332377642 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Br Z1263529603 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)O Z45652935 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [0,1,0,0,0,1|1,0,0]=3 891 B12R1.233 CC(C)NC1=C(C=C(C=C1)Cl)N Z359511184 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)Cl Z267287236 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)I Z4034733287 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.233 CC(C)OC1=C(C=C(C=C1)Br)N Z330805102 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.233 CC(C)OC1=C(C=C(C=C1)Cl)N Z274542066 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.233 CC(C)OC1=C(C=C(C=C1)F)N Z332376424 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl Z239873346 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.233 CC(C)SC1=C(C=C(C=C1)Cl)N Z319450618 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.233 CC1=C(C=CC(=C1)N)OC(C)C Z385462788 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Br Z489537698 [0,1,0,0,0,1|1,0,0]=3 902 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Cl Z905073032 [0,1,0,0,0,1|1,0,0]=3 903 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)F Z1250077979 [0,1,0,0,0,1|1,0,0]=3 904 B12R1.1021 CC(C)C1=CC=CC(=O)C(=C1)O Z1255485978 [0,1,0,0,0,1|1,0,1]=4 905 B12R1.5 C=C(CO)C1=CC=C(C=C1)OC Z1896425058 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.5 CCC(C)C1=CC=C(C=C1)C=O Z385369904 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.5 CCN(C)C1=CC=C(C=C1)CO Z409026316 [0,2,0,0,0,0|0,0,0]=2 910 B12R1.5 CCN(C)C1=NC=C(C=C1)C=O Z1255447297 [0,2,0,0,0,0|1,0,1]=4 911 B12R1.5 CN(N=O)C1=CC=C(C=C1)N=O Z1198148642 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC Z32016396 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.5 CNC(C)C1=CC=C(C=C1)OC Z239628826 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.5 COC(=O)C1=CC=C(C=C1)CO Z25262776 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl Z56945957 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.5 COC1=CC=C(C=C1)C(=O)CO Z228585822 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O Z57887687 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CBr Z104482926 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN Z54748270 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.6 CC(C)(C)C1=NC=C(C=C1)CO Z1847961368 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.6 CC(C)(N)C1=CC=C(C=C1)C#N Z4657441325 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C#N Z1322795164 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.6 CC(C)(O)C1=CC=C(C=C1)C=O Z1511747837 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CN Z1198305621 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.6 CCC1=CC=C(C=C1)C(C)(C)N Z905155800 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.6 CNC1=CC=C(C=C1)C(C)(C)C Z335259092 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O Z449374328 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C Z196125820 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O Z56785107 [0,2,0,0,0,0|0,0,2]=4 934 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=O Z1198176233 [0,2,0,0,0,0|1,0,1]=4 935 B12R1.48 CC(C)C1=CC(=C(C=C1)C=O)F Z1171158410 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C#N Z1203162977 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C=O Z959352824 [0,2,0,0,0,0|0,0,1]=3 938 B12R1.48 CC1=C(C=CC(=C1)N(C)C)CN Z959357814 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.48 CC1=CC(=NC=C1C=O)N(C)C Z1198176756 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.48 CN(C)C1=CC(=C(C=C1)C#N)Br Z3243491618 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.48 CN(C)C1=CC(=C(C=C1)C#N)F Z1469660863 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.48 CN(C)C1=CC(=C(C=C1)C#N)N Z1216845763 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)O Z1255364776 [0,2,0,0,0,0|0,0,1]=3 944 B12R1.48 CN(C)C1=NC=C(C(=C1)Cl)C=O Z2511806456 [0,2,0,0,0,0|1,0,1]=4 945 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Br Z57042009 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)C Z415732058 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)Cl Z331027654 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)F Z85921976 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.48 COC1=C(C=C(C=C1)C(C)C)O Z1255440315 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.48 COC1=C(C=C(C=C1)C(C)O)Cl Z756121270 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.48 COC1=C(C=C(C=C1)C(C)O)F Z220335558 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.48 COC1=C(C=C(C=C1)[C@@H](C)O)Br Z360056130 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.113 C/N=C/C1=CC=C(C=C1)C(C)C Z56944543 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.113 CC(C)C1=CC=C(C=C1)/C=N/O Z49568517 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.113 CC(C)C1=CC=C(C=C1)CC#N Z295878594 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O Z1020792742 [0,2,0,0,0,0|1,0,1]=4 958 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S Z56896772 [0,2,0,0,0,0|1,1,0]=4 959 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C Z53832961 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.113 CCOC1=CC=C(C=C1)C(C)N Z203884180 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O Z360055638 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.113 CCOC1=CC=C(C=C1)[C@H](C)O Z360055632 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.113 CN(C)C1=CC=C(C=C1)/C=N/O Z49568328 [0,2,0,0,0,0|0,0,0]=2 964 B12R1.113 CN(C)C1=CC=C(C=C1)CCN Z285143748 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.113 CN(C)C1=CC=C(C=C1)SC#N Z87001968 [0,2,0,0,0,0|0,1,0]=3 966 B12R1.113 CNCC1=CC=C(C=C1)C(C)C Z56951193 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.113 CNCC1=CC=C(C=C1)N(C)C Z57327129 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O Z1203161683 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O Z335574216 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C Z56963407 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C Z56978035 [0,2,0,0,0,0|0,0,1]=3 972 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O Z336080004 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.256 CC(C)C1=CC=C(C=C1)C(=N)N Z1184858180 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)N Z33546608 [0,2,0,0,0,0|1,0,1]=4 975 B12R1.256 CC(C)C1=CC=C(C=C1)C(=S)N Z55993078 [0,2,0,0,0,0|1,1,0]=4 976 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)N Z56347268 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)O Z335245028 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.256 CC(C)C1=CC=C(C=C1)[C@@H](C)N Z1688198407 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.256 CC(C)C1=CN=C(C=C1)C(=O)O Z2168282673 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)O Z1474026485 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.256 CC(O)C1=CC=C(C=C1)B(O)O Z1255489462 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.256 CC(O)C1=CC=C(C=C1)C(=O)O Z1198155605 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.256 CC(O)C1=CC=C(C=C1)N(C)C Z228586338 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.256 CC(O)C1=NC=C(C=C1)N(C)C Z1575334500 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.256 CN(C)C1=CC=C(C=C1)C(=N)N Z2327588276 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N Z33546672 [0,2,0,0,0,0|0,0,1]=3 987 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O Z104476964 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.256 CN(C)C1=CN=C(C=C1)C(=O)O Z1262513670 [0,2,0,0,0,0|1,0,0]=3 989 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O Z330799458 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.256 CN(C)C1=NC=C(C=C1)[N+](=O)[O-] Z57727175 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.256 CN(C)C1=NC=C(C=N1)B(O)O Z3344488925 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.256 CN(C)C1=NC=C(C=N1)C(=O)O Z4499470264 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.256 CN(C)C1=NC=C(N=C1)C(=O)O Z1217204576 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.256 CN(C)C1=NN=C(C=C1)C(=O)O Z502339072 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.256 CS(=O)C1=CC=C(C=C1)C(=O)O Z119989874 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.452 CC(C)C1=C(C=C(C=C1)C=O)Br Z3242862201 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.452 CC1=C(C=CC(=C1)CN)N(C)C Z1266823112 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.452 CN(C)C1=C(C=C(C=C1)C#N)Br Z1544712728 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.452 CN(C)C1=C(C=C(C=C1)C#N)F Z445161418 [0,2,0,0,0,0|1,0,0]=3 1000 B12R1.452 CN(C)C1=C(C=C(C=C1)C=O)F Z335439982 [0,2,0,0,0,0|0,0,1]=3 1001 B12R1.452 CN(C)C1=C(C=C(C=C1)CN)F Z362597184 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.452 CN(C)C1=C(C=C(C=C1)CO)F Z362022086 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)Br Z454080406 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C Z285137066 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)O Z57101020 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.452 COC1=CC(=C(C=C1)[C@H](C)O)Br Z1541833075 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.9 CC(C)(C#N)C1=CC=C(C=C1)Br Z415650942 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.9 CC(C)(C=O)C1=CC=C(C=C1)Br Z1269186802 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Br Z415697662 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl Z556092664 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)F Z725146590 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.9 CC(C)(CO)C1=CC=C(C=C1)N Z4991552655 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)Br Z2050688353 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C#N Z725146308 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C=O Z1255385343 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CN Z725146612 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)Br Z1270554970 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)O Z381036150 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.9 COC(C)(C)C1=CC=C(C=C1)Br Z1269200225 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)I)O Z1269154708 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)N)O Z2004548136 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)O)O Z104476062 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.23 CC(C)(N)C1=CC(=C(C=C1)Cl)Cl Z725146798 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.23 CC(C)(N)C1=CC(=C(C=C1)F)F Z1020787660 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.23 CC1=C(C=CC(=C1)C(C)(C)C)N Z5875960931 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.23 CC1=C(C=CC(=C1)S(=O)(=O)C)O Z1486003588 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.23 CS(=O)(=O)C1=CC(=C(C=C1)O)N Z57187730 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.126 CC(C)(C)C1=C(C=C(C=C1)Cl)N Z1262627870 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)Br)F Z4574933795 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)F)Br Z4658970057 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)F)Cl Z1267881731 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.126 CC(C)(N)C1=C(C=C(C=C1)F)F Z2805859055 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.126 CC(C)(O)C1=C(C=C(C=C1)Br)Cl Z1486034916 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.126 CC1=C(C=CC(=C1)O)S(=O)(=O)C Z1278926303 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)C#N Z1198160291 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl Z56896221 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.56 CC(C)C1=CC(=C(C=C1)Br)C=O Z2511826757 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.56 CC(C)C1=CC(=C(C=C1)F)C=O Z1171158415 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O Z336080488 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)O Z57234303 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.56 COC1=C(C=CC(=C1)C(C)C)C Z54854001 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.232 CC(=O)C1=C(C=C(C(=C1)O)O)O Z274502124 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.232 CC1=CC(=C(C=C1Cl)C(C)C)O Z104485030 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O Z1407007577 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)Cl Z104495034 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O Z1198148655 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C Z1255372388 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.367 CC(CN)C1=CC(=C(C=C1)Cl)Cl Z4937190097 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)Cl Z4937045907 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)F Z415655058 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [0,2,0,0,0,0|1,0,0]=3 1061 B12R1.367 CNC(C)C1=CC(=C(C=C1)Cl)Cl Z159528194 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Br Z111782420 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Cl Z25120254 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)F Z1198152178 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N Z802838774 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)O Z56912624 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O Z57124116 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)O Z1513616099 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)N)O)F Z2865634737 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O Z1255416032 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.1005 CC1=CC(=CC(=C1Br)C)N(C)C Z1269121146 [0,2,0,0,0,0|1,0,0]=3 1072 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.12 CCC(CN)C1=CC=C(C=C1)Cl Z1198306661 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.12 CCN(C#N)C1=CC=C(C=C1)Cl Z1862008399 [0,2,0,0,0,0|1,0,1]=4 1075 B12R1.12 CCN(CC)C1=NC=C(C=C1)N Z239126196 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.12 CNC(CF)C1=CC=C(C=C1)Br Z3179025555 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.12 CNC(CN)C1=CC=C(C=C1)F Z941154056 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.12 CNC(CO)C1=CC=C(C=C1)Cl Z2235386839 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.12 NCC(CO)C1=CC=C(C=C1)Cl Z2130644164 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.12 NCC(CO)C1=CC=C(C=C1)F Z1269131038 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.12 OCC(CO)C1=CC=C(C=C1)Cl Z1198166557 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.16 CN(CC#N)C1=CC=C(C=C1)F Z645126996 [0,2,0,0,0,0|1,0,0]=3 1091 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,2,0,0,0,0|1,0,0]=3 1093 B12R1.16 CN(CCO)C1=CN=C(C=C1)N Z390185406 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.1703 CC(CN)C1=C(C=C(C=C1)F)F Z415655056 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.1703 CNC(C)C1=C(C=C(C=C1)C)C Z239628972 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.1703 CNC(C)C1=C(C=C(C=C1)Cl)Cl Z140561866 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl Z1198164600 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)F Z1198184471 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)N Z1255399732 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O Z25218921 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.1703 O=C(CCl)C1=C(C=C(C=C1)O)O Z56886635 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.57 CN(C)C1=C(C=C(C=C1)F)C=O Z415637390 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C Z1255419846 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.1000 CC1=CC(=CC(=C1C(C)C)C)O Z1513825150 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.1000 CN(C)C1=C(C=C(C=C1F)N)F Z600386488 [0,2,0,0,0,0|1,0,0]=3 1106 B10R1.29 CN1C=CC=C1/C=C/C=O Z1255493927 [0,0,1,1,0,0|0,0,2]=4 1107 B10R2.6 C1=CC(=CC=N1)C2CC2 Z3042074264 [1,0,0,1,0,0|2,0,0]=4 1108 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|2,0,0]=4 1109 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|2,0,0]=4 1110 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|2,0,0]=4 1111 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|2,0,0]=4 1112 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [0,0,0,1,0,1|1,0,0]=3 1113 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O Z1198147837 [0,0,0,1,0,1|1,0,1]=4 1114 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)O Z1255462447 [0,0,0,1,0,1|2,0,0]=4 1115 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)O Z1201620245 [0,0,0,1,0,1|2,0,0]=4 1116 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)O Z1203159861 [0,0,0,1,0,1|2,0,0]=4 1117 B12R2.606 CC1CC2=C(N1)C=CC(=C2)Br Z5212090742 [0,0,0,1,0,1|2,0,0]=4 1118 B12R2.606 CC1CC2=C(O1)C=CC(=C2)Br Z409451514 [0,0,0,1,0,1|2,0,0]=4 1119 B12R2.606 CC1CC2=C(O1)C=CC(=C2)N Z2888802910 [0,0,0,1,0,1|2,0,0]=4 1120 B12R2.606 CC1CC2=C(O1)C=CC(=C2)O Z1513815985 [0,0,0,1,0,1|1,0,0]=3 1121 B12R2.606 CN1C=C2C=C(C=CC2=N1)Br Z1269233669 [0,0,0,1,0,1|1,0,1]=4 1122 B12R2.606 CN1C=C2C=C(C=CC2=N1)O Z1198343475 [0,0,0,1,0,1|0,0,1]=3 1123 B12R2.606 CN1C=C2C=CC(=CC2=N1)N Z3352767151 [0,0,0,1,0,1|2,0,0]=4 1124 B12R2.606 CN1CC2=C(C1)C=C(C=C2)N Z406357890 [0,0,0,1,0,1|1,0,0]=3 1125 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)O Z1198147431 [0,0,0,1,0,1|2,0,0]=4 1126 B12R2.606 OC1=CC2=C(C=C1)CC(C2)O Z1198729229 [0,0,0,1,0,1|2,0,0]=4 1127 B12R2.9 COC1=CC=C(C=C1)C2CO2 Z278165224 [0,1,0,1,0,0|2,0,0]=4 1128 B12R2.9 NCC1=CC=C(C=C1)C2CC2 Z992239712 [0,1,0,1,0,0|2,0,0]=4 1129 B12R2.9 O=CC1=CC=C(C=C1)C2CC2 Z992239772 [0,1,0,1,0,0|1,0,1]=4 1130 B12R2.290 CC1(CC1)C2=CC=C(C=C2)N Z3033960685 [0,1,0,1,0,0|2,0,0]=4 1131 B12R2.290 CC1(CO1)C2=CC=C(C=C2)F Z1020684130 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.290 CC1=CC=C(C=C1)C2(CO2)C Z1020684066 [0,1,0,1,0,0|2,0,0]=4 1133 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br Z600428582 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl Z381654482 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F Z381654558 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.290 NC1(CC1)C2=CC=C(C=C2)I Z2751942844 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.290 NC1(CC1)C2=CN=C(C=C2)O Z4521497699 [0,1,0,1,0,0|2,0,0]=4 1138 B12R2.291 NC1=C(C=C(C=C1)C2CC2)F Z2738366539 [0,1,0,1,0,0|2,0,0]=4 1139 B12R2.291 NC1=C(C=C(C=C1)C2CC2)N Z1203652960 [0,1,0,1,0,0|2,0,0]=4 1140 B12R2.291 NC1=C(C=CC(=C1)C2CC2)Cl Z1037551094 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.291 NC1=C(C=CC(=C1)C2CC2)F Z4777520691 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.291 OC1=C(C=C(C=C1)C2CC2)Cl Z1575344265 [0,1,0,1,0,0|1,0,0]=3 1143 B12R2.612 CC1=CNC2=C1C=CC(=C2)O Z1203731448 [0,1,0,1,0,0|1,0,1]=4 1144 B12R2.612 CN1C=CC2=C1C=CC(=C2)Br Z274764436 [0,1,0,1,0,0|1,0,1]=4 1145 B12R2.612 CN1C=CC2=C1C=CC(=C2)N Z385461802 [0,1,0,1,0,0|1,0,1]=4 1146 B12R2.612 CN1C=NC2=C1C=CC(=C2)Br Z1269186274 [0,1,0,1,0,0|1,0,1]=4 1147 B12R2.612 CN1C=NC2=C1C=CC(=C2)F Z1255464709 [0,1,0,1,0,0|1,0,1]=4 1148 B12R2.612 CN1C=NC2=C1C=CC(=C2)N Z57290792 [0,1,0,1,0,0|1,0,1]=4 1149 B12R2.612 CN1C=NC2=C1C=CC(=C2)O Z275242686 [0,1,0,1,0,0|0,0,1]=3 1150 B12R2.612 CN1CCC2=C1C=CC(=C2)N Z992717374 [0,1,0,1,0,0|1,0,0]=3 1151 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [0,1,0,1,0,0|0,0,0]=2 1152 B12R2.612 CN1N=CC2=C1C=CC(=C2)Br Z1269209773 [0,1,0,1,0,0|1,0,1]=4 1153 B12R2.612 CN1N=CC2=C1C=CC(=C2)N Z1201622162 [0,1,0,1,0,0|1,0,1]=4 1154 B12R2.612 CN1N=NC2=C1C=CC(=C2)Br Z1269133716 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.612 CN1N=NC2=C1C=CC(=C2)N Z1198369422 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.612 O=C1COC2=C1C=CC(=C2)O Z111875098 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.612 O=C1NCC2=C1C=CC(=C2)O Z1198272536 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.612 O=C1OCC2=C1C=CC(=C2)O Z1198162647 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.2302 ClC1=CC=C(C=C1)C2CCN2 Z1267773691 [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [0,1,0,1,0,0|2,0,0]=4 1162 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [0,1,0,1,0,0|1,0,0]=3 1164 B12R2.1317 CC1=C(C=CC(=C1)N)C2CC2 Z992239704 [0,1,0,1,0,0|2,0,0]=4 1165 B12R2.1317 CC1=CC(=C(C=C1)C2CC2)N Z5779348196 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.1317 NC1=C(C=CC(=C1)F)C2CC2 Z4738544941 [0,1,0,1,0,0|2,0,0]=4 1167 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [1,0,0,0,1,0|2,0,0]=4 1168 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,0,1|2,0,0]=4 1169 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,0,0,0,0,1|1,0,0]=3 1170 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [1,0,0,0,0,1|2,0,0]=4 1171 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,0,0,0,0,1|1,0,0]=3 1172 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,0,0,0,0,1|2,0,0]=4 1173 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,0,0,0,0,1|1,0,0]=3 1174 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [1,0,0,0,0,1|2,0,0]=4 1175 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,0,1|2,0,0]=4 1176 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [1,0,0,0,0,1|1,0,0]=3 1177 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [1,0,0,0,0,1|1,0,0]=3 1178 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,0,0,0,0,2|2,0,0]=4 1179 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [0,0,0,0,0,2|2,0,0]=4 1180 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [0,0,0,0,0,2|1,0,0]=3 1181 B12R1.21 CC(C)NCC1=CC=C(C=C1)Br Z86129856 [0,0,0,0,0,2|2,0,0]=4 1182 B12R1.21 CC(C)NCC1=CC=C(C=C1)F Z86129862 [0,0,0,0,0,2|2,0,0]=4 1183 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [0,0,0,0,0,2|2,0,0]=4 1184 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [0,0,0,0,0,2|2,0,0]=4 1185 B12R1.21 CC(C)SCC1=CC=C(C=C1)Br Z54548572 [0,0,0,0,0,2|2,0,0]=4 1186 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,0,0,0,0,2|2,0,0]=4 1187 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,0,0,0,0,2|2,0,0]=4 1188 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,0,0,0,0,2|2,0,0]=4 1189 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [0,0,0,0,0,2|1,0,0]=3 1190 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [0,0,0,0,0,2|1,0,0]=3