0 B9R1.15 CC1=CC=CC=C1CBr M10001945P [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CC1=CC=CC=C1NC M10015911P [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 CC1=CC=CC=C1[Mg]Br M10023463P [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CNC1=CC=CC=C1Br M10096542P [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CNC1=CC=CN=C1Cl M10244388P [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 COC1=CC=CC=C1Br M10014608P [0,0,0,0,0,0|3,1,0]=4 6 B9R1.15 COC1=NC=CN=C1Cl M10241827P [0,0,0,0,0,0|1,1,0]=2 7 B9R1.15 COC1=NC=NC=C1Br M10061985P [0,0,0,0,0,0|3,1,0]=4 8 B9R1.15 COC1=NC=NC=C1Cl M10696565P [0,0,0,0,0,0|3,1,0]=4 9 B9R1.15 CSC1=NC=CN=C1C M10428474P [0,0,0,0,0,0|0,0,0]=0 10 B9R1.15 N#CC1=C(I)N=CC=C1 M10885216P [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 N#CC1=NC=CC=C1Br M10284487P [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 N#CC1=NC=CN=C1Cl M10283266P [0,0,0,0,0,0|3,0,0]=3 13 B9R1.15 NC1=CC=CC=C1NC M10066051P [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 NNC1=NC=CN=C1Cl M10391065P [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 O=CC1=NC=CC=C1F M10213085P [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 O=CC1=NC=CC=C1N M10281263P [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 O=CC1=NC=CC=C1O M10037088P [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 OCC1=NC=CC=C1N M10264876P [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 OCC1=NC=CC=C1O M10129274P [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 BrCC1=CC=CN=C1 M10067250P [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 BrCC1=NC=CC=C1 M10212637P [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 COC1=CC=NN=C1 M10167172P [1,0,0,0,0,0|2,1,0]=4 24 B8R1.2 COC1=NN=CC=C1 M10158813P [1,0,0,0,0,0|2,1,0]=4 25 B8R1.2 CSC1=NC=CC=N1 M10021362P [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 ClSC1=CC=CC=C1 M10023430P [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 NCC1=NC=CN=C1 M10163885P [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 NCC1=NC=CN=C1 M10239061P [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 NNC1=NC=CN=C1 M10277619P [1,0,0,0,0,0|2,0,0]=3 30 B8R1.5 CC1=CC=CC=C1O M10205472P [1,0,0,0,0,0|2,1,0]=4 31 B8R1.5 CC1=CC=NN=C1Br M10143003P [1,0,0,0,0,0|3,0,0]=4 32 B8R1.5 CC1=CC=NN=C1Cl M10429522P [1,0,0,0,0,0|3,0,0]=4 33 B8R1.5 CC1=NC=CC=C1Br M10237555P [1,0,0,0,0,0|2,0,0]=3 34 B8R1.5 CC1=NC=CC=C1Cl M10445941P [1,0,0,0,0,0|2,0,0]=3 35 B8R1.5 CC1=NC=CC=C1F M10139485P [1,0,0,0,0,0|2,0,0]=3 36 B8R1.5 IC1=NC=CC=C1F M10769466P [1,0,0,0,0,0|3,0,0]=4 37 B8R1.5 NC1=NC=CN=C1C M10162913P [1,0,0,0,0,0|1,0,0]=2 38 B8R1.5 O=C1C(C)=NC=CN1 M10162912P [1,0,0,0,0,0|0,1,1]=3 39 B8R1.5 OC1=CC=CN=C1I M10242165P [1,0,0,0,0,0|2,1,0]=4 40 B8R1.5 OC1=NC=CC=C1N M10306628P [1,0,0,0,0,0|2,1,0]=4 41 B8R1.5 OC1=NC=NC=C1C M10151425P [1,0,0,0,0,0|2,1,0]=4 42 B10R1.2 CC1=C(OC)N=CN=C1Cl M10090624P [0,1,0,0,0,0|2,1,0]=4 43 B10R1.2 NC1=CC=CC(OC)=C1C M11002793P [0,1,0,0,0,0|2,1,0]=4 44 B10R1.4 CC1=CC=CC=C1CCO M10162794P [0,1,0,0,0,0|3,0,0]=4 45 B10R1.4 CC1=CC=CC=C1NCC M10002326P [0,1,0,0,0,0|3,0,0]=4 46 B10R1.4 CC1=NC=CN=C1OCC M10218072P [0,1,0,0,0,0|0,1,0]=2 47 B10R1.4 CCOC1=NC=CN=C1N M10571324P [0,1,0,0,0,0|1,1,0]=3 48 B10R1.4 COCC1=NC=CN=C1Cl M10128447P [0,1,0,0,0,0|1,1,0]=3 49 B10R1.20 CCC1=CC=CC=C1CC M10005067P [0,1,0,0,0,0|3,0,0]=4 50 B10R1.20 CCC1=NC=CN=C1OC M10190762P [0,1,0,0,0,0|0,1,0]=2 51 B10R1.20 O=CC1=C(OC)N=CC=C1 M10442166P [0,1,0,0,0,0|1,1,1]=4 52 B10R1.20 O=CC1=NC=CC=C1OC M10037086P [0,1,0,0,0,0|1,1,1]=4 53 B10R1.20 OCC1=NC=CC=C1CO M10877017P [0,1,0,0,0,0|3,0,0]=4 54 B10R1.25 CC1=CC(Br)=CN=C1OC M10951361P [0,1,0,0,0,0|1,1,0]=3 55 B10R1.25 CC1=CN=C(CC)C(C)=N1 M10127477P [0,1,0,0,0,0|1,0,0]=2 56 B10R1.25 COC1=CC=C(I)N=C1Br M10858140P [0,1,0,0,0,0|2,1,0]=4 57 B10R1.25 COC1=NC=C(Cl)C=C1Cl M10124054P [0,1,0,0,0,0|2,1,0]=4 58 B10R1.25 CSC1=CN=C(Cl)N=C1Cl M10104906P [0,1,0,0,0,0|3,0,0]=4 59 B10R1.25 N#CC1=C(C)N=C(N)C=C1 M10810467P [0,1,0,0,0,0|3,0,0]=4 60 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl M10856896P [0,1,0,0,0,0|3,0,0]=4 61 B10R1.25 N#CC1=NC=C(N)C=C1C M10845746P [0,1,0,0,0,0|3,0,0]=4 62 B10R1.25 N#CC1=NC=C(O)C=C1C M10842284P [0,1,0,0,0,0|3,0,0]=4 63 B10R1.25 NC1=CC(F)=C(OC)N=C1 M11021531P [0,1,0,0,0,0|2,1,0]=4 64 B10R1.25 NC1=CC(F)=CN=C1OC M11114177P [0,1,0,0,0,0|2,1,0]=4 65 B10R1.30 COC1=NC(Br)=CN=C1Cl M10565199P [0,1,0,0,0,0|1,1,0]=3 66 B10R1.30 CSC1=NC(Cl)=NC=C1Br M10308083P [0,1,0,0,0,0|3,0,0]=4 67 B10R1.30 NC1=CC(OC)=C(Cl)N=C1 M10460637P [0,1,0,0,0,0|2,1,0]=4 68 B10R1.30 NC1=CC=C(Br)N=C1OC M10571346P [0,1,0,0,0,0|2,1,0]=4 69 B10R1.30 NC1=NC=C(Br)N=C1C#C M11113570P [0,1,0,0,0,0|2,0,1]=4 70 B10R1.30 OC1=CC=C(C)N=C1CC M10122199P [0,1,0,0,0,0|3,0,0]=4 71 B10R1.30 OC1=CC=C(C)N=C1CC M10725655P [0,1,0,0,0,0|3,0,0]=4 72 B10R1.61 CC(C1=NC=CN=C1N)=O M10712587P [0,1,0,0,0,0|2,0,0]=3 73 B10R1.61 CC(O)C1=CC=CN=C1Cl M10733656P [0,1,0,0,0,0|3,0,0]=4 74 B10R1.61 CC1=CC=CC=C1N(C)C M10015825P [0,1,0,0,0,0|3,0,0]=4 75 B10R1.61 CN(C)C1=NC=CC=C1Br M10097697P [0,1,0,0,0,0|3,0,0]=4 76 B10R1.61 ClC1=NC=CC=C1C(C)=O M10283880P [0,1,0,0,0,0|3,0,0]=4 77 B10R1.61 O=C(C1=NC=CN=C1C)O M10244952P [0,1,0,0,0,0|2,0,0]=3 78 B10R1.61 O=C(C1=NC=CN=C1Cl)O M10197914P [0,1,0,0,0,0|3,0,0]=4 79 B10R1.61 O=[N+](C1=NC=CN=C1Cl)[O-] M10518374P [0,1,0,0,0,0|3,0,0]=4 80 B10R1.245 CC1=C(OC)C(C)=CC=C1 M10024966P [0,1,0,0,0,0|2,1,0]=4 81 B10R2.7 C12=C(NCC1)C=CC=C2 M10012277P [0,0,0,1,0,0|3,0,0]=4 82 B10R2.7 C12=NC=CN=C1NC=C2 M10192276P [0,0,0,1,0,0|1,0,2]=4 83 B8R1.11 N#CC1=C(C)C=CS1 M10282344P [0,0,0,0,1,0|3,0,0]=4 84 B8R1.11 NC1=NNC=C1CC M10250285P [0,0,0,0,1,0|3,0,0]=4 85 B8R1.11 O=CC1=C(C)NC=N1 M10429899P [0,0,0,0,1,0|2,0,1]=4 86 B8R1.11 O=CC1=C(C)SC=C1 M10499253P [0,0,0,0,1,0|3,0,0]=4 87 B8R1.11 O=CC1=NC=CN1C M10126237P [0,0,0,0,1,0|3,0,0]=4 88 B8R1.11 OCC1=C(C)SC=N1 M10997559P [0,0,0,0,1,0|3,0,0]=4 89 B7R1.3 BrC1=CC=CN=C1 M10197004P [2,0,0,0,0,0|2,0,0]=4 90 B7R1.3 BrC1=NC=CC=C1 M10003585P [2,0,0,0,0,0|2,0,0]=4 91 B7R1.3 BrC1=NC=CN=C1 M10288341P [2,0,0,0,0,0|1,0,0]=3 92 B7R1.3 CC1=NN=CC=C1 M10033962P [2,0,0,0,0,0|2,0,0]=4 93 B7R1.3 FC1=NC=CN=C1 M10067536P [2,0,0,0,0,0|1,0,0]=3 94 B7R1.3 IC1=NC=CN=C1 M10216073P [2,0,0,0,0,0|1,0,0]=3 95 B7R1.3 NC1=NC=CC=C1 M10192677P [2,0,0,0,0,0|2,0,0]=4 96 B7R1.3 NC1=NC=CN=N1 M10027198P [2,0,0,0,0,0|2,0,0]=4 97 B7R1.3 OC1=NC=CN=C1 M10086016P [2,0,0,0,0,0|0,1,0]=3 98 B7R1.3 SC1=CC=CC=C1 M10003579P [2,0,0,0,0,0|2,0,0]=4 99 B7R1.3 [O-]C1=CC=CN=C1 M10265709P [2,0,0,0,0,0|1,1,0]=4 100 B9R1.1 CCC1=NC=C(Br)C=C1 M10237559P [1,1,0,0,0,0|2,0,0]=4 101 B9R1.1 COC1=CN=C(Br)C=C1 M10657138P [1,1,0,0,0,0|1,1,0]=4 102 B9R1.1 CSC1=CN=C(Br)C=N1 M11096900P [1,1,0,0,0,0|0,0,0]=2 103 B9R1.1 IC1=CN=C(OC)C=C1 M10124057P [1,1,0,0,0,0|1,1,0]=4 104 B9R1.1 NC1=CC=C(CC)N=C1 M10723729P [1,1,0,0,0,0|2,0,0]=4 105 B9R1.1 NC1=CN=C(NC)C=C1 M10200529P [1,1,0,0,0,0|2,0,0]=4 106 B9R1.1 O=CC1=NC=C(Cl)N=C1 M10543017P [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 CC1=CC=CC(CC)=N1 M10027285P [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 CC1=CN=CC(NN)=N1 M10162979P [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 CNC1=CC(Br)=CN=C1 M12277746P [1,1,0,0,0,0|2,0,0]=4 110 B9R1.2 COC1=CC=CC(F)=N1 M10700396P [1,1,0,0,0,0|1,1,0]=4 111 B9R1.2 COC1=NC=CC(I)=C1 M10634449P [1,1,0,0,0,0|1,1,0]=4 112 B9R1.2 CSC1=CC(Br)=NC=N1 M10113605P [1,1,0,0,0,0|2,0,0]=4 113 B9R1.2 CSC1=CC(Cl)=NC=N1 M10565189P [1,1,0,0,0,0|2,0,0]=4 114 B9R1.2 CSC1=CC=CC(Br)=N1 M10454533P [1,1,0,0,0,0|1,0,0]=3 115 B9R1.2 CSC1=NC(Cl)=NC=C1 M10253231P [1,1,0,0,0,0|2,0,0]=4 116 B9R1.2 CSC1=NC=CC(Br)=N1 M11090114P [1,1,0,0,0,0|2,0,0]=4 117 B9R1.2 CSC1=NC=CC(C)=N1 M10127994P [1,1,0,0,0,0|2,0,0]=4 118 B9R1.2 N#CC1=NC(N)=CN=C1 M10307778P [1,1,0,0,0,0|2,0,0]=4 119 B9R1.2 NC1=NC(OC)=CN=C1 M10097094P [1,1,0,0,0,0|0,1,0]=3 120 B9R1.6 CC(N)C1=NC=CC=C1 M10247824P [1,1,0,0,0,0|2,0,0]=4 121 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [1,1,0,0,0,0|1,0,0]=3 122 B9R1.6 CC(O)C1=CC=CN=C1 M10066006P [1,1,0,0,0,0|2,0,0]=4 123 B9R1.6 C[C@@H](N)C1=NC=CC=C1 M10251364P [1,1,0,0,0,0|2,0,0]=4 124 B9R1.6 C[C@H](N)C1=NC=CC=C1 M10199865P [1,1,0,0,0,0|2,0,0]=4 125 B9R1.6 S=C(C1=NC=CN=C1)N M10064748P [1,1,0,0,0,0|2,0,0]=4 126 B9R1.8 CCNC1=CC=CN=C1 M10217063P [1,1,0,0,0,0|2,0,0]=4 127 B9R1.8 OCCC1=NC=CN=C1 M10095634P [1,1,0,0,0,0|1,0,0]=3 128 B9R1.3 CC1=C(C)C(C)=CC=C1 M10013159P [1,1,0,0,0,0|2,0,0]=4 129 B9R1.3 CC1=CC=CC(O)=C1C M10030019P [1,1,0,0,0,0|2,0,0]=4 130 B9R1.3 NC1=C(Br)C=CN=C1C M10723209P [1,1,0,0,0,0|2,0,0]=4 131 B9R1.3 NC1=C(N)C=CN=C1C M10139486P [1,1,0,0,0,0|2,0,0]=4 132 B9R1.69 CC1=CC(F)=CN=C1Cl M10235678P [1,1,0,0,0,0|2,0,0]=4 133 B9R1.69 CC1=CN=C(Br)C(C)=C1 M10612808P [1,1,0,0,0,0|2,0,0]=4 134 B9R1.69 CC1=NC(Cl)=CC=C1F M11018819P [1,1,0,0,0,0|2,0,0]=4 135 B9R1.69 ClC1=NC=C(Br)N=C1Br M10099755P [1,1,0,0,0,0|2,0,0]=4 136 B9R1.69 NC1=CC=C(Cl)N=C1C M10793926P [1,1,0,0,0,0|2,0,0]=4 137 B9R1.69 NC1=NC(Br)=CN=C1Br M10089709P [1,1,0,0,0,0|2,0,0]=4 138 B9R1.69 NC1=NC(Br)=CN=C1Cl M11099756P [1,1,0,0,0,0|2,0,0]=4 139 B9R1.69 NC1=NC(C)=CN=C1C M10121012P [1,1,0,0,0,0|1,0,0]=3 140 B9R1.69 NC1=NC(C)=CN=C1Cl M10560908P [1,1,0,0,0,0|2,0,0]=4 141 B9R1.69 NC1=NC(Cl)=C(C)C=C1 M10879309P [1,1,0,0,0,0|2,0,0]=4 142 B9R1.69 NC1=NC=C(Br)N=C1N M10558915P [1,1,0,0,0,0|2,0,0]=4 143 B9R1.69 NC1=NC=C(C)C=C1C M10247503P [1,1,0,0,0,0|2,0,0]=4 144 B9R1.69 NC1=NC=C(C)N=C1Br M10455195P [1,1,0,0,0,0|2,0,0]=4 145 B9R1.69 OC1=NC=C(Cl)C=C1C M10301575P [1,1,0,0,0,0|1,1,0]=4 146 B9R1.22 CC1=CC(C)=NN1CC M10150613P [0,1,0,0,1,0|2,0,0]=4 147 B9R1.27 CC1=CNC(C)=C1CC M10012904P [0,1,0,0,1,0|1,0,1]=4 148 B9R1.33 CC1=NC=CN1CCN M10690687P [0,1,0,0,1,0|2,0,0]=4 149 B9R1.33 CSSC1=C(C)OC=C1 M10413228P [0,1,0,0,1,0|1,0,0]=3 150 B11R1.222 O=C(C1=NC=CN=C1C)OC M10244953P [0,2,0,0,0,0|0,1,0]=3 151 B11R1.222 O=C(C1=NC=CN=C1Cl)OC M10199725P [0,2,0,0,0,0|1,1,0]=4 152 B11R1.222 O=C(C1=NC=CN=C1O)OC M10199724P [0,2,0,0,0,0|1,1,0]=4 153 B11R1.53 COC1=NC=CN=C1C(C)C M10191291P [0,2,0,0,0,0|0,1,0]=3 154 B11R1.53 CSC1=NC=CC=C1B(O)O M10098733P [0,2,0,0,0,0|2,0,0]=4 155 B11R1.277 CC1=C(C)N=C(C)C(CBr)=N1 M10474121P [0,2,0,0,0,0|2,0,0]=4 156 B11R1.277 O=CC1=NC(C)=C(C)N=C1C M10815573P [0,2,0,0,0,0|2,0,0]=4 157 B11R1.277 OCC1=NC(C)=C(C)N=C1C M10461399P [0,2,0,0,0,0|2,0,0]=4 158 B11R1.167 O=C(C1=NC(C)=CN=C1C)O M10043888P [0,2,0,0,0,0|2,0,0]=4 159 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [0,1,0,1,0,0|1,0,0]=3 160 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [0,1,0,1,0,0|2,0,0]=4 161 B11R2.20 C12=NC=CC=C1OCCO2 M10729372P [0,1,0,1,0,0|1,1,0]=4 162 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [0,1,0,1,0,0|2,0,0]=4 163 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [0,1,0,1,0,0|2,0,0]=4 164 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [0,1,0,1,0,0|2,0,0]=4 165 B11R2.36 BrC1=CN=C2C(CCC2)=C1 M10786314P [0,1,0,1,0,0|2,0,0]=4 166 B11R2.36 BrC1=CN=C2NCCC2=C1 M10697102P [0,1,0,1,0,0|2,0,0]=4 167 B7R1.1 CCC1=NC=CS1 M10138064P [1,0,0,0,1,0|2,0,0]=4 168 B7R1.1 CCN1N=CC=C1 M10047966P [1,0,0,0,1,0|2,0,0]=4 169 B7R1.1 CCN1N=CN=C1 M10145084P [1,0,0,0,1,0|2,0,0]=4 170 B7R1.1 CSC1=NC=CS1 M10068366P [1,0,0,0,1,0|1,0,0]=3 171 B7R1.4 CC1=C(C)SC=C1 M11197216P [1,0,0,0,1,0|1,0,0]=3 172 B7R1.4 CC1=CNN=C1C M10047993P [1,0,0,0,1,0|1,0,0]=3 173 B7R1.4 CC1=CNN=C1C M10830281P [1,0,0,0,1,0|1,0,0]=3 174 B7R1.4 CC1=NNC=C1I M10138633P [1,0,0,0,1,0|2,0,0]=4 175 B7R1.4 NC1=CC=NN1C M10028700P [1,0,0,0,1,0|2,0,0]=4 176 B7R1.4 NC1=NC=CN1C M10095148P [1,0,0,0,1,0|2,0,0]=4 177 B7R1.4 NC1=NNC=C1C M10407369P [1,0,0,0,1,0|2,0,0]=4 178 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [1,0,0,0,1,0|2,0,0]=4