0 B8R1.18 CC1=NN(C)C(Br)=C1 M10079924P [0,0,0,0,0,0|3,0,0]=3 1 B8R1.18 IC1=C(I)N=C(I)N1 M10035716P [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 NC1=CC(Br)=NN1C M11139490P [0,0,0,0,0,0|4,0,0]=4 3 B8R1.18 NC1=NC(C)=C(C)S1 M10443572P [0,0,0,0,0,0|1,1,0]=2 4 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 OC1=CC(C)=NN1C M10069623P [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 SC1=C(C)OC(C)=C1 M10284510P [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 CC1=CC(Br)=CS1 M10206144P [1,0,0,0,0,0|2,1,0]=4 8 B7R1.2 CC1=CC=C(Br)O1 M10718133P [1,0,0,0,0,0|2,0,0]=3 9 B7R1.2 CC1=CC=C(Cl)S1 M10148223P [1,0,0,0,0,0|2,1,0]=4 10 B7R1.2 CC1=CN(C)N=C1 M10026171P [1,0,0,0,0,0|2,0,0]=3 11 B7R1.2 CC1=COC(Br)=N1 M11097892P [1,0,0,0,0,0|1,0,0]=2 12 B7R1.2 CC1=CSC(C)=C1 M10017342P [1,0,0,0,0,0|1,1,0]=3 13 B7R1.2 CC1=CSC(Cl)=N1 M10195545P [1,0,0,0,0,0|1,1,0]=3 14 B7R1.2 CC1=NN(C)C=C1 M10018607P [1,0,0,0,0,0|2,0,0]=3 15 B7R1.2 CC1=NN=C(Br)S1 M10274347P [1,0,0,0,0,0|2,1,0]=4 16 B7R1.2 CC1=NN=C(C)N1 M10104063P [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 CN1C=C(Br)N=C1 M10190735P [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 CN1N=C(Br)C=C1 M10776437P [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 CN1N=C(Cl)C=C1 M10392492P [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 ClC1=CN=C(Br)S1 M10144006P [1,0,0,0,0,0|2,1,0]=4 21 B7R1.2 NC1=CC(C)=NS1 M10184328P [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 NC1=CC=C(C)S1 M10282879P [1,0,0,0,0,0|2,1,0]=4 23 B7R1.2 NC1=CSC(Br)=N1 M10246711P [1,0,0,0,0,0|2,1,0]=4 24 B7R1.2 NC1=NC(C)=CO1 M10228028P [1,0,0,0,0,0|1,0,0]=2 25 B7R1.2 NC1=NC(N)=CS1 M10424794P [1,0,0,0,0,0|2,1,0]=4 26 B7R1.2 NC1=NC=C(C)O1 M10219349P [1,0,0,0,0,0|1,0,0]=2 27 B7R1.2 NC1=NN(C)C=N1 M10252599P [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 O=C1NC(C)=CN1 M10028708P [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,0,0,0|2,0,0]=3 30 B7R1.2 OC1=CC(C)=NN1 M10735473P [1,0,0,0,0,0|3,0,0]=4 31 B7R1.4 CC1=C(C)SC=C1 M11197216P [1,0,0,0,0,0|1,1,0]=3 32 B7R1.4 CC1=CNN=C1C M10047993P [1,0,0,0,0,0|2,0,0]=3 33 B7R1.4 CC1=CNN=C1C M10830281P [1,0,0,0,0,0|2,0,0]=3 34 B7R1.4 CC1=NNC=C1I M10138633P [1,0,0,0,0,0|3,0,0]=4 35 B7R1.4 NC1=C(C)ON=C1 M10520047P [1,0,0,0,0,0|3,0,0]=4 36 B7R1.4 NC1=CC=NN1C M10028700P [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 NC1=NC=CN1C M10095148P [1,0,0,0,0,0|3,0,0]=4 38 B7R1.4 NC1=NNC=C1C M10407369P [1,0,0,0,0,0|3,0,0]=4 39 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [1,0,0,0,0,0|3,0,0]=4 40 B9R1.22 CC1=CC(C)=NN1CC M10150613P [0,1,0,0,0,0|2,0,0]=3 41 B9R1.22 O=CC1=C(C)OC(C)=N1 M10612234P [0,1,0,0,0,0|0,0,1]=2 42 B9R1.22 O=CC1=C(C)SC(C)=C1 M10193813P [0,1,0,0,0,0|1,1,1]=4 43 B9R1.22 OCC1=C(C)OC(C)=N1 M10612235P [0,1,0,0,0,0|0,0,0]=1 44 B9R1.23 CC1=CC(NC)=NN1C M10911159P [0,1,0,0,0,0|2,0,0]=3 45 B9R1.23 NC1=CN(CC)N=C1C M10087436P [0,1,0,0,0,0|3,0,0]=4 46 B9R1.23 NC1=CN(CC)N=C1C M11108144P [0,1,0,0,0,0|3,0,0]=4 47 B9R1.23 O=CC1=NC(C)=C(C)N1 M10706389P [0,1,0,0,0,0|1,0,1]=3 48 B9R1.37 CC1=C(Br)C(C)=NN1C M10138628P [0,1,0,0,0,0|2,0,0]=3 49 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,0,1,0,0,0|2,0,1]=4 50 B7R0.7 C\C(OCC)=N/C#N M10032691P [0,0,1,0,0,0|1,0,2]=4 51 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,0,1,0,0,0|2,0,1]=4 52 B9R1.34 CC1=CC(Cl)=CC(C)=N1 M10055121P [0,0,0,0,0,1|2,0,0]=3 53 B9R1.34 CC1=CC(Cl)=NC(C)=N1 M10063697P [0,0,0,0,0,1|2,0,0]=3 54 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 M10240062P [0,0,0,0,0,1|3,0,0]=4 55 B9R1.34 NC1=NC(C)=CC(Cl)=C1 M10230426P [0,0,0,0,0,1|3,0,0]=4 56 B9R1.34 OC1=CC(C)=NC(C)=N1 M10093860P [0,0,0,0,0,1|2,0,0]=3 57 B9R1.34 OC1=NC(C)=CC(Br)=C1 M10006718P [0,0,0,0,0,1|3,0,0]=4 58 B9R1.34 OC1=NC(C)=CC(C)=C1 M10140776P [0,0,0,0,0,1|2,0,0]=3 59 B9R1.34 OC1=NC(C)=NC(N)=C1 M10020257P [0,0,0,0,0,1|3,0,0]=4 60 B9R1.34 OC1=NC(C)=NC(O)=C1 M10028791P [0,0,0,0,0,1|3,0,0]=4 61 B9R1.34 OC1=NC(N)=NC(C)=N1 M10142301P [0,0,0,0,0,1|3,0,0]=4 62 B9R1.69 CC1=CC(F)=CN=C1Cl M10235678P [0,0,0,0,0,1|3,0,0]=4 63 B9R1.69 CC1=CC(N)=NC=C1F M10854123P [0,0,0,0,0,1|3,0,0]=4 64 B9R1.69 CC1=CC=C(I)C(C)=C1 M10061039P [0,0,0,0,0,1|3,0,0]=4 65 B9R1.69 CC1=CN=C(Br)C(C)=C1 M10612808P [0,0,0,0,0,1|2,0,0]=3 66 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 M10413554P [0,0,0,0,0,1|3,0,0]=4 67 B9R1.69 CC1=CN=C(Br)C(F)=C1 M10224182P [0,0,0,0,0,1|3,0,0]=4 68 B9R1.69 CC1=CN=C(C)C=C1Br M10147354P [0,0,0,0,0,1|2,0,0]=3 69 B9R1.69 CC1=CN=C(Cl)C=C1I M11111464P [0,0,0,0,0,1|3,0,0]=4 70 B9R1.69 CC1=NC(Cl)=CC=C1F M11018819P [0,0,0,0,0,1|3,0,0]=4 71 B9R1.69 CC1=NC(Cl)=NC=C1Br M10905826P [0,0,0,0,0,1|3,0,0]=4 72 B9R1.69 CC1=NC=C(Br)C(Cl)=N1 M10004970P [0,0,0,0,0,1|3,0,0]=4 73 B9R1.69 NC1=CC=C(Cl)N=C1C M10793926P [0,0,0,0,0,1|3,0,0]=4 74 B9R1.69 NC1=CN=C(C)N=C1Cl M10164240P [0,0,0,0,0,1|3,0,0]=4 75 B9R1.69 NC1=CN=C(Cl)N=C1C M10164241P [0,0,0,0,0,1|3,0,0]=4 76 B9R1.69 NC1=NC(C)=CC=C1N M10219813P [0,0,0,0,0,1|3,0,0]=4 77 B9R1.69 NC1=NC(C)=CN=C1C M10121012P [0,0,0,0,0,1|2,0,0]=3 78 B9R1.69 NC1=NC(C)=CN=C1Cl M10560908P [0,0,0,0,0,1|3,0,0]=4 79 B9R1.69 NC1=NC(Cl)=C(C)C=C1 M10879309P [0,0,0,0,0,1|3,0,0]=4 80 B9R1.69 NC1=NC(Cl)=NC=C1C M10130843P [0,0,0,0,0,1|3,0,0]=4 81 B9R1.69 NC1=NC=C(C)C=C1C M10247503P [0,0,0,0,0,1|2,0,0]=3 82 B9R1.69 NC1=NC=C(C)C=C1N M10185871P [0,0,0,0,0,1|3,0,0]=4 83 B9R1.69 NC1=NC=C(C)N=C1Br M10455195P [0,0,0,0,0,1|3,0,0]=4 84 B9R1.69 O=C1NC(C(=NN1)C)=O M10023478P [0,0,0,0,0,1|3,0,0]=4 85 B9R1.69 OC1=CC=C(C)N=C1Br M10177902P [0,0,0,0,0,1|3,0,0]=4 86 B9R1.69 OC1=CC=C(C)N=C1I M10177901P [0,0,0,0,0,1|3,0,0]=4 87 B9R1.69 OC1=CN=C(C)N=C1C M10875938P [0,0,0,0,0,1|2,0,0]=3 88 B9R1.69 OC1=NC=C(C)C(N)=C1 M10625616P [0,0,0,0,0,1|3,0,0]=4 89 B9R1.69 OC1=NC=C(Cl)C=C1C M10301575P [0,0,0,0,0,1|3,0,0]=4 90 B9R1.69 OC1=NN=C(O)C=C1C M10195225P [0,0,0,0,0,1|3,0,0]=4 91 B6R0.1 C\C(OC)=N/C#N M10078674P [1,0,1,0,0,0|1,0,1]=4 92 B6R0.1 C\C=C\C(OC)=O M10156893P [1,0,1,0,0,0|2,0,0]=4 93 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,0,1,0,0,0|1,0,0]=3 94 B6R1.2 BrC1=CN=CS1 M10050406P [2,0,0,0,0,0|1,1,0]=4 95 B6R1.2 BrC1=CNC=N1 M10042301P [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 BrC1=NC=CN1 M10144381P [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 CC1=CC=CN1 M10017268P [2,0,0,0,0,0|1,0,1]=4 98 B6R1.2 CC1=CC=NN1 M10522458P [2,0,0,0,0,0|2,0,0]=4 99 B6R1.2 CC1=CN=CS1 M10055792P [2,0,0,0,0,0|0,1,0]=3 100 B6R1.2 CC1=CNN=N1 M10199661P [2,0,0,0,0,0|2,0,0]=4 101 B6R1.2 CC1=COC=C1 M10023353P [2,0,0,0,0,0|1,0,0]=3 102 B6R1.2 CC1=NCCO1 M10027175P [2,0,0,0,0,0|0,0,2]=4 103 B6R1.2 CC1=NNC=N1 M10102125P [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 CN1N=CN=C1 M10083614P [2,0,0,0,0,0|2,0,0]=4 105 B6R1.2 ClC1=NC=CS1 M10050403P [2,0,0,0,0,0|1,1,0]=4 106 B6R1.2 IC1=NC=CN1 M10050409P [2,0,0,0,0,0|2,0,0]=4 107 B6R1.2 NC1=COC=N1 M10159955P [2,0,0,0,0,0|1,0,0]=3 108 B6R1.2 NC1=NC=CN1 M10110055P [2,0,0,0,0,0|2,0,0]=4 109 B6R1.2 NC1=NC=CS1 M10084286P [2,0,0,0,0,0|1,1,0]=4 110 B6R1.2 SC1=NC=CS1 M10487088P [2,0,0,0,0,0|1,1,0]=4 111 B8R1.1 BrCC1=CN=C(Br)S1 M10733773P [1,1,0,0,0,0|1,1,0]=4 112 B8R1.1 CC1=CC=C(CC)S1 M10242382P [1,1,0,0,0,0|1,1,0]=4 113 B8R1.1 CC1=NC(C=O)=CS1 M10168174P [1,1,0,0,0,0|0,1,1]=4 114 B8R1.1 CC1=NC(CO)=CN1 M10251327P [1,1,0,0,0,0|1,0,0]=3 115 B8R1.1 CC1=NC=C(CC)N1 M10205568P [1,1,0,0,0,0|1,0,0]=3 116 B8R1.1 CSC1=CC=C(C)O1 M10125717P [1,1,0,0,0,0|1,0,0]=3 117 B8R1.1 NC1=NC(CCl)=CS1 M10308466P [1,1,0,0,0,0|1,1,0]=4 118 B8R1.1 NCC1=CN(C)C=N1 M10142044P [1,1,0,0,0,0|2,0,0]=4 119 B8R1.1 NCC1=CN=C(Br)S1 M10733774P [1,1,0,0,0,0|1,1,0]=4 120 B8R1.1 NCC1=CSC(C)=N1 M10651863P [1,1,0,0,0,0|0,1,0]=3 121 B8R1.1 O=CC1=COC(C)=N1 M10690619P [1,1,0,0,0,0|0,0,1]=3 122 B8R1.1 OCC1=CN(C)C=N1 M10148485P [1,1,0,0,0,0|2,0,0]=4 123 B8R1.1 OCC1=CN=C(Cl)S1 M10767693P [1,1,0,0,0,0|1,1,0]=4 124 B8R1.11 O=CC1=C(C)NC=N1 M10429899P [1,1,0,0,0,0|1,0,1]=4 125 B8R1.11 OCC1=C(Br)N=CS1 M10848388P [1,1,0,0,0,0|1,1,0]=4 126 B8R1.11 OCC1=C(C)SC=N1 M10997559P [1,1,0,0,0,0|0,1,0]=3 127 B10R1.8 CC1=CC(C)=CC(CBr)=C1 M10196778P [0,1,0,0,0,1|2,0,0]=4 128 B10R1.8 CC1=CC(C)=CC(OC)=C1 M10022344P [0,1,0,0,0,1|2,0,0]=4 129 B10R1.8 CC1=CC(C)=NC(CCl)=N1 M10456095P [0,1,0,0,0,1|1,0,0]=3 130 B10R1.8 CC1=CC(C)=NC(NN)=N1 M10182278P [0,1,0,0,0,1|2,0,0]=4 131 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 M10147368P [0,1,0,0,0,1|2,0,0]=4 132 B10R1.8 N#CC1=CC(C)=NC(C)=C1 M10241188P [0,1,0,0,0,1|1,0,1]=4 133 B10R1.8 O=C1C=C(OC)C=C(C)O1 M10018095P [0,1,0,0,0,1|2,0,0]=4 134 B10R1.22 CC1=C(I)C(C)=CC(C)=C1 M10059405P [0,1,0,0,0,1|2,0,0]=4 135 B10R1.22 NC1=NC(C)=C(Br)C(C)=N1 M10061045P [0,1,0,0,0,1|2,0,0]=4 136 B10R1.25 CC1=CC(Br)=CN=C1OC M10951361P [0,1,0,0,0,1|2,0,0]=4 137 B10R1.25 CC1=CN=C(CC)C(C)=N1 M10127477P [0,1,0,0,0,1|1,0,0]=3 138 B10R1.25 CC1=NC=C(CO)C(N)=N1 M10000822P [0,1,0,0,0,1|2,0,0]=4 139 B10R1.25 NCC1=CC=C(C)C=C1C M10002353P [0,1,0,0,0,1|2,0,0]=4 140 B10R1.25 O=C1N=C(C)NC=C1CO M10018784P [0,1,0,0,0,1|2,0,0]=4 141 B10R1.25 OCC1=CC=C(C)C=C1C M10142035P [0,1,0,0,0,1|2,0,0]=4 142 B10R1.30 CC1=CC=C(C)C(CCl)=C1 M10021416P [0,1,0,0,0,1|2,0,0]=4 143 B10R1.30 NC1=CN=C(C)N=C1OC M10268973P [0,1,0,0,0,1|2,0,0]=4 144 B10R1.30 OC1=CC=C(C)N=C1CC M10122199P [0,1,0,0,0,1|2,0,0]=4 145 B10R1.30 OC1=CC=C(C)N=C1CC M10725655P [0,1,0,0,0,1|2,0,0]=4 146 B10R1.118 CC1=C(Br)C=C(Br)C(C)=N1 M10054389P [0,1,0,0,0,1|2,0,0]=4 147 B10R1.119 OC1=C(C)C=CC(C)=C1C M10043603P [0,1,0,0,0,1|2,0,0]=4 148 B10R1.176 CC1=NC(CC)=CN=C1C M10138162P [0,1,0,0,0,1|1,0,0]=3 149 B10R1.176 CC1=NC(OC)=NC=C1Br M10237421P [0,1,0,0,0,1|2,0,0]=4 150 B10R1.176 CC1=NC=C(OC)C=C1Br M10123678P [0,1,0,0,0,1|2,0,0]=4 151 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 M10319560P [0,1,0,0,0,1|2,0,0]=4 152 B10R1.176 NC1=CN=C(OC)N=C1C M10032026P [0,1,0,0,0,1|2,0,0]=4 153 B10R1.176 OCC1=NC=C(C)C(Br)=C1 M10964768P [0,1,0,0,0,1|2,0,0]=4 154 B10R1.59 CC(C1=C(C)SC(C)=C1)=O M10045050P [0,2,0,0,0,0|1,1,0]=4 155 B10R1.59 CC(C1=C(C)SC(N)=N1)=O M10242484P [0,2,0,0,0,0|1,1,0]=4 156 B10R1.59 O=C(C1=C(C)OC(C)=N1)O M10177876P [0,2,0,0,0,0|0,0,1]=3 157 B8R1.4 OC1=NC(C)=CN=C1 M10167116P [0,0,1,1,0,0|1,0,1]=4 158 B10R2.2 NC1=NC2=C(CCC2)S1 M10268512P [0,1,0,1,0,0|1,1,0]=4 159 B8R1.3 CC1=CN=C(Br)N=C1 M10775116P [1,0,0,0,0,1|2,0,0]=4 160 B8R1.3 CC1=CN=C(C)C=C1 M10195697P [1,0,0,0,0,1|1,0,0]=3 161 B8R1.3 CC1=CN=C(Cl)C=N1 M10306565P [1,0,0,0,0,1|2,0,0]=4 162 B8R1.3 CC1=NC=C(F)C=N1 M10276234P [1,0,0,0,0,1|2,0,0]=4 163 B8R1.3 CC1=NN=C(Br)C=C1 M10410968P [1,0,0,0,0,1|2,0,0]=4 164 B8R1.3 CC1=NN=C(C)C=C1 M10033961P [1,0,0,0,0,1|1,0,0]=3 165 B8R1.3 NC1=CC=C(C)N=C1 M10189774P [1,0,0,0,0,1|2,0,0]=4 166 B8R1.3 NC1=NN=C(C)C=C1 M10156209P [1,0,0,0,0,1|2,0,0]=4 167 B8R1.3 OC1=NC=C(C)C=C1 M10606720P [1,0,0,0,0,1|2,0,0]=4