0 B10R1.18 CC(=O)CC1=NC=CC=C1 OR302235 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 CC(=O)OC1=CC=CC=C1 OR5316 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=S)NC1=CC=CC=C1 OR53074 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(Br)CC1=CC=CC=C1 OR323250 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(C)=CC1=CC=CC=C1 OR30976 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.18 CC(C)CC1=CC=CC=C1 OR22170 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 CC(C)SC1=CC=CC=C1 OR18312 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(N)CC1=NC=CC=C1 OR40277 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 CC(O)CC1=CC=CC=C1 OR8956 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CN(C)CC1=CC=CC=C1 OR54497 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 OR150 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 NC(=O)CC1=CC=CC=C1 OR0700 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 NC(=O)NC1=NC=CC=C1 OR0956 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 NC(=S)NC1=NC=CC=C1 OR6811 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 O=C(Cl)CC1=CC=CC=C1 OR2206 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 O=C(O)CC1=NC=CC=C1 OR20009 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.18 O=C(O)CC1=NC=CN=C1 OR313069 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 OB(O)CC1=CC=CC=C1 OR6221 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.8 BrCCC1=CC=CC=C1 OR46084 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320066 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320067 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CCCC1=CC=NC=C1 OR13622 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CCNC1=CC=CC=C1 OR8988 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CCOC1=NC=CC=C1 OR40436 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 CNCC1=CC=CC=C1 OR12500 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CNCC1=CC=CN=C1 OR30155 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 CNCC1=CC=NC=C1 OR12591 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CNCC1=CC=NC=C1 OR318010 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CNCC1=NC=CC=C1 OR12501 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 CNCC1=NC=CC=C1 OR51995 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 COCC1=NC=CC=C1 OR13609 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 ClCCC1=NC=CC=C1 OR303592 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 ClCSC1=CC=CC=C1 OR0789 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 Cl[Mg]CC1=CC=CC=C1 OR320070 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 N#CCC1=CC=CC=C1 OR5457 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 N#CCC1=NC=CC=C1 OR28680 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 N#CCC1=NC=CC=N1 OR53117 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCCC1=CC=NC=C1 OR2022 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 NCCC1=NC=CC=C1 OR28599 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 NCCC1=NC=CN=C1 OR1046 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NNCC1=CC=CC=C1 OR5636 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 NOCC1=CC=CC=C1 OR15742 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NOCC1=CC=CC=C1 OR30224 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 O=C=NC1=CC=CC=N1 OR52645 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 OCCC1=CC=CN=C1 OR0520 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 OCCC1=CC=NC=C1 OR13623 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 OCCC1=NC=CC=C1 OR13610 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 ONCC1=CC=CC=C1 OR51891 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 O\N=C\C1=NC=CC=C1 OR2013 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 O\N=C\C1=NC=CC=C1 OR24107 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 SCCC1=CC=NC=C1 OR8898 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 SCCC1=NC=CC=C1 OR305591 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 OR110431 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 OR15343 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 OR4098 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 OR3204 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.20 CC(C)NC1=NC=C(Br)C=N1 OR15515 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 OR3370 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CN(C)CC1=CC=C(I)C=C1 OR3860 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 OR70028 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 OR907023 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.40 CC(=CC1=CC=CC=C1)CO OR60256 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.40 CC(CN)OC1=CC=CC=C1 OR12728 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.40 NCC(O)CC1=CC=CC=C1 OR12967 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 OR8744 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.86 CC(=O)CC1=CC=CC=C1Cl OR23885 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 OR4289 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 OR3745 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.86 CN(C)CC1=C(I)C=CC=C1 OR6960 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.86 CN(C)CC1=CC=CC=C1N OR305010 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 OR305408 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 OR5569 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.157 CC(C)CC1=CC=CC(N)=C1 OR40688 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.157 CC(C)NC1=CC(Cl)=NC=N1 OR59375 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.157 CC(C)NC1=NC(Cl)=CN=C1 OR11635 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.157 CN(C)CC1=CC(Br)=CC=C1 OR3373 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 OR1877 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 OR15010 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.509 C[Si](C)(C)CC1=CC=CC=C1 OR303372 [0,1,0,0,0,0|1,1,0]=3 81 B11R2.4 CC1NC1C2=CC=CC=C2 OR340189 [0,0,0,1,0,0|2,0,0]=3 82 B11R2.4 NC1CC1C2=CC=CC=C2 OR944624 [0,0,0,1,0,0|2,0,0]=3 83 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR16696 [0,0,0,1,0,0|2,0,0]=3 84 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR310537 [0,0,0,1,0,0|2,0,0]=3 85 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR53161 [0,0,0,1,0,0|2,0,0]=3 86 B11R2.10 CC1=CC2=C(N=CC=C2)N1 OR301214 [0,0,0,1,0,0|1,0,2]=4 87 B11R2.10 CC1=NC2=C(C=CC=N2)O1 OR110178 [0,0,0,1,0,0|2,0,1]=4 88 B11R2.10 CC1CC2=C(C=CC=C2)N1 OR10176 [0,0,0,1,0,0|2,0,0]=3 89 B11R2.10 NC1CC2=CC=CC=C2C1 OR28935 [0,0,0,1,0,0|2,0,0]=3 90 B11R2.10 NC1CC2=CC=CC=C2C1 OR30439 [0,0,0,1,0,0|2,0,0]=3 91 B11R2.10 O=C1CC2=CC=CC=C2C1 OR30508 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.10 OC1CC2=CC=CC=C2C1 OR30507 [0,0,0,1,0,0|2,0,0]=3 93 B11R2.238 C1=CC=C(SC2CC2)C=C1 OR18541 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 CC(=O)C1=NC=CC=C1 OR5045 [0,0,0,0,1,0|1,0,1]=3 95 B9R1.6 CC(=O)C1=NC=CC=N1 OR16083 [0,0,0,0,1,0|2,0,1]=4 96 B9R1.6 CC(=O)C1=NC=CN=C1 OR5593 [0,0,0,0,1,0|2,0,1]=4 97 B9R1.6 CC(Br)C1=CC=CC=C1 OR315258 [0,0,0,0,1,0|2,0,0]=3 98 B9R1.6 CC(Br)C1=CC=CN=C1 OR46058 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.6 CC(Cl)C1=CC=CC=C1 OR9525 [0,0,0,0,1,0|2,0,0]=3 100 B9R1.6 CC(N)C1=CC=NC=C1 OR01563 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.6 CC(N)C1=CN=CC=C1 OR01562 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.6 CC(N)C1=NC=CC=C1 OR01560 [0,0,0,0,1,0|1,0,0]=2 103 B9R1.6 CC(O)C1=CC=CC=N1 OR01623 [0,0,0,0,1,0|1,0,0]=2 104 B9R1.6 CC(O)C1=CC=CN=C1 OR01622 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.6 CC(O)C1=CC=NC=C1 OR01620 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.6 CN(C)C1=CC=CC=C1 OR61405 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.6 CN(C)C1=CC=NC=C1 OR28827 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.6 CN(C)C1=NC=CC=C1 OR13607 [0,0,0,0,1,0|1,0,0]=2 109 B9R1.6 CN(N)C1=CC=CC=C1 OR55581 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.6 CS(=O)C1=CC=CC=C1 OR30635 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.6 C[C@@H](N)C1=CC=CC=C1 OR5862 [0,0,0,0,1,0|2,0,0]=3 112 B9R1.6 C[C@@H](N)C1=NC=CC=C1 OR70108 [0,0,0,0,1,0|1,0,0]=2 113 B9R1.6 C[C@@H](O)C1=CC=CC=C1 OR315316 [0,0,0,0,1,0|2,0,0]=3 114 B9R1.6 C[C@H](N)C1=CC=CC=C1 OR28829 [0,0,0,0,1,0|2,0,0]=3 115 B9R1.6 C[C@H](N)C1=NC=CC=C1 OR46602 [0,0,0,0,1,0|1,0,0]=2 116 B9R1.6 N=C(N)C1=NC=CC=C1 OR1303 [0,0,0,0,1,0|2,0,1]=4 117 B9R1.6 O=C(Cl)C1=NC=CC=C1 OR20043 [0,0,0,0,1,0|2,0,1]=4 118 B9R1.6 O=C(Cl)C1=NC=CC=C1 OR6370 [0,0,0,0,1,0|2,0,1]=4 119 B9R1.6 O=C(O)C1=NC=CC=C1 OR23054 [0,0,0,0,1,0|2,0,1]=4 120 B9R1.6 O=[N+]([O-])C1=CC=CC=N1 OR16075 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.13 CC(C)CC1=NC=CS1 OR8109 [0,0,0,0,1,0|1,0,0]=2 122 B9R1.13 CC(N)CC1=CC=CS1 OR322580 [0,0,0,0,1,0|2,0,0]=3 123 B9R1.13 CC(N)CN1C=CN=C1 OR12978 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [0,0,0,0,0,1|2,0,1]=4 125 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [0,0,0,0,0,1|2,0,0]=3 126 B11R1.91 CN(C)CCC1=NC=CC=C1 OR28892 [0,0,0,0,0,1|1,0,0]=2 127 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.2 BrCC1=CC=CC=C1 OR12905 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.2 BrCC1=CC=CN=N1 OR30652 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 BrCC1=NC=CN=C1 OR40084 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 BrCC1=NC=CN=C1 OR46239 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.2 C#CC1=NC=CC=C1 OR18606 [2,0,0,0,0,0|0,0,2]=4 133 B8R1.2 C=CC1=NC=CC=C1 OR3144 [2,0,0,0,0,0|0,0,2]=4 134 B8R1.2 CCC1=CC=CC=C1 OR14988 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 CCC1=CC=NC=C1 OR345107 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 COC1=NC=CC=C1 OR13608 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 CSC1=CC=CC=C1 OR2490 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 CSC1=NC=CC=N1 OR15527 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 ClCC1=CC=CC=C1 OR16493 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 ClCC1=NC=CC=C1 OR8686 [2,0,0,0,0,0|1,0,0]=3 141 B8R1.2 ClCC1=NC=CN=C1 OR40082 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 ClCC1=NC=CN=C1 OR61057 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 NCC1=CC=CC=C1 OR16591 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 NCC1=CC=CC=C1 OR27725 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 NCC1=NC=CC=C1 OR5031 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 NCC1=NC=CC=N1 OR12993 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 NCC1=NC=CC=N1 OR48262 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 NCC1=NC=CN=C1 OR40048 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 NCC1=NN=CC=C1 OR8924 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 NNC1=NC=CC=C1 OR61068 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 O=CC1=NC=CC=C1 OR5051 [2,0,0,0,0,0|1,0,1]=4 152 B8R1.2 OCC1=CC=CC=C1 OR923999 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 OCC1=CC=CN=N1 OR6428 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 OCC1=NC=CC=C1 OR23056 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 OCC1=NC=CC=N1 OR42130 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 OCC1=NC=CN=C1 OR12341 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 OCC1=NC=NC=C1 OR42131 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.1 CCCC1=CC=C(Br)C=C1 OR13034 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.1 CCNC1=CC=C(Cl)C=C1 OR2039 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.1 CCNC1=CC=C(Cl)N=N1 OR11900 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.1 CCOC1=CC=C(Br)C=C1 OR13193 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.1 CCOC1=CC=C(I)C=C1 OR2134 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.1 CCOC1=CC=C(N)C=C1 OR6686 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.1 CCOC1=CN=C(N)C=N1 OR40077 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.1 CCOC1=NC=C(Br)C=C1 OR13065 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.1 CCOC1=NC=C(Br)C=N1 OR15514 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.1 CNCC1=CC=C(C)C=C1 OR16470 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.1 CNCC1=CC=C(Cl)C=C1 OR16428 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.1 CNCC1=CC=C(N)C=C1 OR7674 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.1 CNCC1=NC=C(Br)C=C1 OR6090 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.1 NC1=CC=C(CCO)C=C1 OR0014 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.1 NCCC1=CC=C(N)C=C1 OR40587 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.1 OC1=CC=C(CCBr)C=C1 OR45134 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.1 OCCC1=CC=C(Br)C=C1 OR30084 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.1 OCCC1=CC=C(Cl)C=C1 OR24970 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.1 OCCC1=CC=C(O)C=C1 OR2934 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.4 CCCC1=C(Br)C=NC=N1 OR11573 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.4 CCCC1=CC=CC=C1N OR24905 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.4 CCCC1=CC=CC=C1O OR30121 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.4 CCNC1=C(O)C=CC=C1 OR52438 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.4 CCOC1=C(Br)C=CC=C1 OR9597 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.4 CCOC1=C(N)C=CC=C1 OR6652 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.4 CCOC1=C(O)C=CC=N1 OR51768 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.4 CNCC1=CC=CC=C1C OR110980 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.4 CNCC1=CC=CC=C1Cl OR40030 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.4 COCC1=C(Br)C=CC=C1 OR11434 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.4 NC1=C(CCO)C=CC=C1 OR16408 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.10 CCCC1=NC(Cl)=NC=C1 OR11679 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.10 CCNC1=CC(Cl)=NC=N1 OR11549 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.10 CCNC1=NC(Cl)=CN=C1 OR59339 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.10 CCOC1=NC(Br)=CC=C1 OR59382 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.10 CCOC1=NC=CC(N)=C1 OR46228 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.10 CNCC1=CC=CC(Br)=C1 OR307051 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.10 OCCC1=CC(Br)=CC=C1 OR3522 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.15 CC(CN)C1=CC=CC=C1 OR6734 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.15 CCC(Br)C1=CC=CC=C1 OR55292 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.15 CCC(O)C1=CC=CC=C1 OR10953 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.15 CC[C@H](N)C1=CC=CC=C1 OR52676 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.15 COC(=O)C1=NC=CC=C1 OR22699 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 OR3244 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.15 NC(CO)C1=CC=CC=C1 OR17907 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.15 NCC(O)C1=CC=CC=C1 OR52511 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.15 NCC(O)C1=CC=CC=C1 OR9824 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.15 NCC(O)C1=NC=CC=C1 OR12817 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.15 NCC(O)C1=NC=CC=C1 OR60079 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 OR3013 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.15 NC[C@H](O)C1=CC=CC=C1 OR3011 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 OR19518 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.15 N[C@H](CO)C1=CC=CC=C1 OR8743 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.15 O=C(CBr)C1=NC=CC=C1 OR1299 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 OR3005 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.15 OC[C@H](O)C1=CC=CC=C1 OR3006 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 OR55062 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 OR8742 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.17 BrCCOC1=CC=CC=C1 OR0698 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.17 C=CCCC1=CC=CC=C1 OR51831 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.17 CNCCC1=CC=NC=C1 OR12592 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.17 CNCCC1=NC=CC=C1 OR22222 [1,1,0,0,0,0|0,0,0]=2 221 B10R1.17 ClCCSC1=CC=CC=C1 OR10842 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.17 NCCOC1=CC=CC=C1 OR27353 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.17 OCCNC1=CC=CC=C1 OR42170 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.17 OCCOC1=CC=CC=C1 OR4481 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.17 [O-]CCNC1=CC=CC=C1 OR55494 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 OR51752 [0,1,0,0,1,0|1,0,1]=4 228 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 OR321021 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.13 CC(C)C1=CC=C(I)C=C1 OR11205 [0,1,0,0,1,0|1,0,0]=3 230 B10R1.13 CC(C)C1=CC=C(N)C=C1 OR4957 [0,1,0,0,1,0|1,0,0]=3 231 B10R1.13 CC(C)C1=CC=C(O)C=C1 OR18281 [0,1,0,0,1,0|1,0,0]=3 232 B10R1.13 CC(C)C1=CC=C(S)C=C1 OR0781 [0,1,0,0,1,0|1,0,0]=3 233 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 OR17821 [0,1,0,0,1,0|2,0,0]=4 234 B10R1.13 CC(N)C1=CC=C(N)C=C1 OR01680 [0,1,0,0,1,0|2,0,0]=4 235 B10R1.13 CC(O)C1=CC=C(Br)C=C1 OR17616 [0,1,0,0,1,0|2,0,0]=4 236 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 OR2973 [0,1,0,0,1,0|2,0,0]=4 237 B10R1.13 CN(C)C1=CC=C(Br)C=C1 OR11136 [0,1,0,0,1,0|2,0,0]=4 238 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 OR17922 [0,1,0,0,1,0|2,0,0]=4 239 B10R1.13 CN(C)C1=CC=C(N)C=C1 OR14326 [0,1,0,0,1,0|2,0,0]=4 240 B10R1.13 CN(C)C1=CC=C(N)C=C1 OR5247 [0,1,0,0,1,0|2,0,0]=4 241 B10R1.13 CN(C)C1=CC=C(N)C=C1 OR5307 [0,1,0,0,1,0|2,0,0]=4 242 B10R1.13 CN(C)C1=CN=C(Cl)C=N1 OR42255 [0,1,0,0,1,0|2,0,0]=4 243 B10R1.13 CN(C)C1=NC=C(Br)C=C1 OR7730 [0,1,0,0,1,0|1,0,0]=3 244 B10R1.13 CN(C)C1=NC=C(Br)C=N1 OR7769 [0,1,0,0,1,0|2,0,0]=4 245 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 OR48265 [0,1,0,0,1,0|2,0,0]=4 246 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 OR322311 [0,1,0,0,1,0|2,0,0]=4 247 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 OR48261 [0,1,0,0,1,0|2,0,0]=4 248 B10R1.28 CC(C)(C)C1=CC=CC=C1 OR10947 [0,1,0,0,1,0|1,0,0]=3 249 B10R1.28 CC(C)(Cl)C1=CC=CC=C1 OR9372 [0,1,0,0,1,0|1,0,0]=3 250 B10R1.28 CC(C)(N)C1=CC=CC=N1 OR470173 [0,1,0,0,1,0|0,0,0]=2 251 B10R1.28 CC(C)(O)C1=CC=CC=C1 OR18323 [0,1,0,0,1,0|1,0,0]=3 252 B10R1.28 CC(C)(O)C1=CC=CN=C1 OR42205 [0,1,0,0,1,0|2,0,0]=4 253 B10R1.28 CC(C)(O)C1=NC=CC=C1 OR25562 [0,1,0,0,1,0|0,0,0]=2 254 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 OR904742 [0,1,0,0,1,0|2,0,0]=4 255 B10R1.28 C[Si](C)(C)C1=CC=CC=C1 OR303371 [0,1,0,0,1,0|1,1,0]=4 256 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 OR22666 [0,1,0,0,1,0|1,1,0]=4 257 B10R1.61 CC(=O)C1=NC=CC=C1C OR40729 [0,1,0,0,1,0|1,0,1]=4 258 B10R1.61 CC(=O)C1=NC=CC=C1Cl OR302156 [0,1,0,0,1,0|1,0,1]=4 259 B10R1.61 CC(C)C1=C(Br)C=NC=N1 OR11585 [0,1,0,0,1,0|1,0,0]=3 260 B10R1.61 CC(C)C1=C(I)C=CC=C1 OR11375 [0,1,0,0,1,0|1,0,0]=3 261 B10R1.61 CC(C)C1=C(N)C=CC=C1 OR28577 [0,1,0,0,1,0|1,0,0]=3 262 B10R1.61 CC(C)C1=CC=CC=C1O OR322047 [0,1,0,0,1,0|1,0,0]=3 263 B10R1.61 CC(O)C1=C(Br)C=CC=C1 OR2162 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.61 CN(C)C1=C(N)C=CC=C1 OR60254 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 OR12051 [0,1,0,0,1,0|1,0,1]=4 266 B10R1.113 CC(=O)C1=CC=CC(C)=N1 OR13601 [0,1,0,0,1,0|1,0,1]=4 267 B10R1.113 CC(C)C1=CC=CC(Br)=C1 OR2897 [0,1,0,0,1,0|1,0,0]=3 268 B10R1.113 CC(C)C1=CC=CC(N)=C1 OR0560 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.113 CC(C)C1=NC(Cl)=NC=C1 OR11532 [0,1,0,0,1,0|1,0,0]=3 270 B10R1.113 CC(N)C1=CC=CC(N)=C1 OR01676 [0,1,0,0,1,0|2,0,0]=4 271 B10R1.113 CN(C)C1=CC(Br)=CC=C1 OR3746 [0,1,0,0,1,0|2,0,0]=4 272 B10R1.113 CN(C)C1=CC(N)=CC=C1 OR40391 [0,1,0,0,1,0|2,0,0]=4 273 B10R1.113 CN(C)C1=CC=CC(O)=C1 OR14323 [0,1,0,0,1,0|2,0,0]=4 274 B10R1.113 CN(C)C1=NC=CC(Br)=N1 OR302531 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 OR9863 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 OR12706 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.125 CC(C)CCC1=C(Br)C=NC=N1 OR11584 [0,1,0,0,0,1|1,0,0]=3 278 B12R1.891 CC(C)(C)N=CC1=CC=CC=C1 OR4894 [0,1,0,0,0,1|1,0,1]=4 279 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 OR55478 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 OR1247 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 OR7788 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.20 CC(C)C(=O)C1=CC=C(Br)C=C1 OR52251 [0,2,0,0,0,0|1,0,1]=4 283 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 OR12733 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 OR3502 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.106 CC(C)(C)OC1=CC=C(O)C=C1 OR10627 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.106 CC(C)(C)SC1=CC=C(Br)C=C1 OR914606 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 OR61252 [0,2,0,0,0,0|1,0,0]=3 288 B12R1.233 CC(C)NC1=C(N)C=C(Cl)C=C1 OR4900 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 OR28298 [0,2,0,0,0,0|1,0,0]=3 290 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 OR12689 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 OR6061 [0,2,0,0,0,0|1,0,1]=4 292 B12R1.564 CC(C)(C)C(=O)C1=CC=CC=C1 OR3517 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 OR70171 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.32 C#CCN(C)CC1=CC=CC=C1 OR54425 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.32 CCOC(=O)CC1=NC=CC=C1 OR24900 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.32 CN(CCCl)CC1=CC=CC=C1 OR61419 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 OR7784 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.127 CN(C)CC1=C(Br)C=CC(O)=C1 OR7720 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.119 CC(C)(C)NC1=CC(Cl)=NC=N1 OR11966 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 OR7786 [0,2,0,0,0,0|2,0,0]=4 301 B10R2.7 C1=CC2=C(C=C1)CCC2 OR18290 [1,0,0,1,0,0|1,0,0]=3 302 B10R2.7 C1=CC2=C(C=C1)CNC2 OR350210 [1,0,0,1,0,0|2,0,0]=4 303 B10R2.7 C1=CC2=C(C=C1)NCC2 OR6520 [1,0,0,1,0,0|2,0,0]=4 304 B10R2.7 C1=CC=C2COCC2=C1 OR24902 [1,0,0,1,0,0|2,0,0]=4 305 B10R2.7 C1=CC=C2OCCC2=C1 OR28826 [1,0,0,1,0,0|2,0,0]=4 306 B10R2.7 C1=CN=C2CCCC2=C1 OR5187 [1,0,0,1,0,0|0,0,0]=2 307 B10R2.7 C1=CN=C2CNCC2=C1 OR30672 [1,0,0,1,0,0|1,0,0]=3 308 B12R2.24 CC1CNC2=CC=CC=C2O1 OR40370 [0,0,0,1,0,1|2,0,0]=4 309 B12R2.24 CC1CNC2=CC=CC=C2S1 OR61156 [0,0,0,1,0,1|2,0,0]=4 310 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 OR313014 [0,0,0,1,0,1|1,0,0]=3 311 B12R2.2403 C[Si]1(C)OCC2=CC=CC=C21 OR303380 [0,0,0,1,0,1|1,1,0]=4 312 B12R2.294 BrC1=CN=C(NC2CC2)C=C1 OR46049 [0,1,0,1,0,0|1,0,0]=3 313 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 OR310934 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.606 NC1CC2=C(C=C(Cl)C=C2)C1 OR52641 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.606 OC1CC2=C(C=C(Br)C=C2)C1 OR321364 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.18 CC1CC2=C(C=CC=C2)C1=O OR0627 [0,1,0,1,0,0|1,0,1]=4 317 B12R2.18 NC1C2=CC=CC=C2CC1O OR2608 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.18 NC1CC2=CC=CC=C2C1O OR2609 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O OR2317 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@H]1O OR55290 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O OR55258 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O OR52536 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O OR18545 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.18 OC1C2=CC=CC=C2CC1Br OR0846 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 OR0940 [0,1,0,1,0,0|1,0,0]=3 326 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 OR953381 [0,1,0,1,0,0|1,0,0]=3 327 B12R2.32 NCC1CC2=CC=CC=C2O1 OR1366 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.32 OCC1CC2=CC=CC=C2N1 OR14016 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.32 OCC1CC2=CC=CC=C2O1 OR1427 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 OR451015 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.225 NC1=CC=CN=C1NC2CC2 OR01597 [0,1,0,1,0,0|1,0,0]=3 332 B12R2.1286 ClC1=NC=NC(NC2CC2)=C1 OR11507 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.8 CCCC1=CC=CO1 OR3221 [1,0,0,0,1,0|1,0,0]=3 334 B8R1.8 CCCC1=NC=CS1 OR8147 [1,0,0,0,1,0|1,0,0]=3 335 B8R1.8 CNCC1=COC=N1 OR59851 [1,0,0,0,1,0|2,0,0]=4 336 B8R1.8 NCCC1=CC=CS1 OR10144 [1,0,0,0,1,0|2,0,0]=4 337 B8R1.8 NCCC1=CNC=N1 OR28842 [1,0,0,0,1,0|2,0,0]=4 338 B8R1.8 NCCC1=CSC=C1 OR40114 [1,0,0,0,1,0|2,0,0]=4 339 B8R1.8 NCCC1=NC=CN1 OR305182 [1,0,0,0,1,0|2,0,0]=4 340 B8R1.8 OCCC1=CC=CS1 OR6571 [1,0,0,0,1,0|2,0,0]=4 341 B8R1.8 OCCC1=CSC=C1 OR13899 [1,0,0,0,1,0|2,0,0]=4 342 B8R1.8 OCCN1C=CC=C1 OR200029 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.8 OCCN1C=CC=N1 OR11946 [1,0,0,0,1,0|2,0,0]=4 344 B8R1.7 CC(C)=C1C=CC=C1 OR52345 [0,0,0,0,2,0|0,0,1]=3 345 B8R1.7 CC(C)C1C=CC=C1 OR62075 [0,0,0,0,2,0|0,0,1]=3 346 B8R1.7 CC(N)C1=CC=CO1 OR01656 [0,0,0,0,2,0|2,0,0]=4 347 B8R1.7 CC(N)C1=CC=CS1 OR01764 [0,0,0,0,2,0|2,0,0]=4