0 B7R1.1 BrCC1=CC=CO1 M10063276P [0,0,0,0,0,0|1,0,0]=1 1 B7R1.1 BrCC1=NNC=C1 M10649267P [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C#CC1=CC=CS1 M10061791P [0,0,0,0,0,0|0,1,2]=3 3 B7R1.1 C#CC1=CSC=C1 M10423991P [0,0,0,0,0,0|2,0,2]=4 4 B7R1.1 CCC1=NC=CS1 M10138064P [0,0,0,0,0,0|1,1,0]=2 5 B7R1.1 CCC1=NCCO1 M10115051P [0,0,0,0,0,0|1,0,2]=3 6 B7R1.1 CCN1N=CC=C1 M10047966P [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 CCN1N=CN=C1 M10145084P [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CSC1=NC=CS1 M10068366P [0,0,0,0,0,0|2,1,0]=3 9 B7R1.1 ClCC1=CC=CS1 M10020165P [0,0,0,0,0,0|1,1,0]=2 10 B7R1.1 ClCC1=CSC=N1 M10109961P [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 ClCC1=NC=CO1 M10813721P [0,0,0,0,0,0|2,0,0]=2 12 B7R1.1 ClCC1=NN=CO1 M10450928P [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 ClCN1N=CN=C1 M10496689P [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 N#CC1=CC=CO1 M10016313P [0,0,0,0,0,0|1,0,1]=2 15 B7R1.1 N#CC1=CNC=C1 M10101161P [0,0,0,0,0,0|3,0,1]=4 16 B7R1.1 N#CC1=CSC=N1 M10030981P [0,0,0,0,0,0|3,0,1]=4 17 B7R1.1 NCC1=CC=CN1 M10405721P [0,0,0,0,0,0|2,0,0]=2 18 B7R1.1 NCC1=CN=CO1 M10111263P [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 NCC1=CN=CS1 M10790734P [0,0,0,0,0,0|2,1,0]=3 20 B7R1.1 NCC1=CN=NN1 M10706931P [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 NCC1=CNN=C1 M10233809P [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 NCC1=CNN=C1 M11111217P [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 NCC1=NC=CO1 M11020248P [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 NCC1=NC=CS1 M10283798P [0,0,0,0,0,0|2,1,0]=3 25 B7R1.1 NCC1=NNC=C1 M10233808P [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 NCC1=NOC=C1 M10109645P [0,0,0,0,0,0|3,0,0]=3 27 B7R1.1 O=CC1=CC=CN1 M10846417P [0,0,0,0,0,0|2,0,1]=3 28 B7R1.1 O=CC1=NC=CO1 M10412277P [0,0,0,0,0,0|2,0,1]=3 29 B7R1.1 O=CC1=NC=CS1 M10112946P [0,0,0,0,0,0|2,1,1]=4 30 B7R1.1 O=CC1=NNC=C1 M10058610P [0,0,0,0,0,0|3,0,1]=4 31 B7R1.1 OCC1=CNC=N1 M10021336P [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 OCC1=NC=CO1 M10731569P [0,0,0,0,0,0|2,0,0]=2 33 B7R1.1 OCC1=NNC=C1 M10180756P [0,0,0,0,0,0|3,0,0]=3 34 B7R1.1 SCC1=CC=CS1 M10085524P [0,0,0,0,0,0|1,1,0]=2 35 B6R1.2 BrC1=CN=CS1 M10050406P [1,0,0,0,0,0|2,1,0]=4 36 B6R1.2 BrC1=CNC=N1 M10042301P [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 BrC1=NC=CN1 M10144381P [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 BrC1=NNC=C1 M10131684P [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 CC1=CC=CN1 M10017268P [1,0,0,0,0,0|1,0,0]=2 40 B6R1.2 CC1=CC=NN1 M10522458P [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 CC1=CN=CS1 M10055792P [1,0,0,0,0,0|1,1,0]=3 42 B6R1.2 CC1=CNN=N1 M10199661P [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 CC1=COC=C1 M10023353P [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,0,0,0|1,0,2]=4 45 B6R1.2 CC1=NNC=N1 M10102125P [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 CN1N=CN=C1 M10083614P [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 ClC1=NC=CS1 M10050403P [1,0,0,0,0,0|2,1,0]=4 48 B6R1.2 IC1=CSC=C1 M10115512P [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 IC1=NC=CN1 M10050409P [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 NC1=CC=NO1 M10132694P [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 NC1=COC=N1 M10159955P [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 NC1=CSC=C1 M10189866P [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 NC1=CSC=C1 M11005288P [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 NC1=NC=CN1 M10110055P [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 NC1=NC=CS1 M10084286P [1,0,0,0,0,0|2,1,0]=4 56 B6R1.2 NN1N=CC=C1 M10059159P [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 S=C1SC=CN1 M10079135P [1,0,0,0,0,0|2,1,0]=4 58 B6R1.2 SC1=NC=CS1 M10487088P [1,0,0,0,0,0|2,1,0]=4 59 B8R1.1 BrCC1=CN=C(Br)S1 M10733773P [0,1,0,0,0,0|2,1,0]=4 60 B8R1.1 CC1=CC=C(CC)S1 M10242382P [0,1,0,0,0,0|0,1,0]=2 61 B8R1.1 CC1=NC(CO)=CN1 M10251327P [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 CC1=NC=C(CC)N1 M10205568P [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 COC1=CC=C(Br)S1 M10292628P [0,1,0,0,0,0|1,1,0]=3 64 B8R1.1 CSC1=CC=C(C)O1 M10125717P [0,1,0,0,0,0|1,0,0]=2 65 B8R1.1 C[N+]1=CN(CC)C=C1 M10409475P [0,1,0,0,0,0|3,0,0]=4 66 B8R1.1 C[N+]1=CN(CC)C=C1 M10761770P [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 C[N+]1=CN(CC)C=C1 M10761771P [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 C[N+]1=CN(CC)C=C1 M10767700P [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 C[N+]1=CN(CC)C=C1 M10782580P [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 N#CC1=CC=C(Br)S1 M10040641P [0,1,0,0,0,0|1,1,1]=4 71 B8R1.1 N#CC1=CC=C(I)S1 M10158165P [0,1,0,0,0,0|1,1,1]=4 72 B8R1.1 NC1=CC(SC)=NN1 M10174874P [0,1,0,0,0,0|3,0,0]=4 73 B8R1.1 NC1=NC(CCl)=CS1 M10308466P [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 NCC1=CN(C)C=N1 M10142044P [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 NCC1=CN=C(Br)S1 M10733774P [0,1,0,0,0,0|2,1,0]=4 76 B8R1.1 NCC1=CSC(C)=N1 M10651863P [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,1,0,0,0,0|1,0,1]=3 78 B8R1.1 O=CC1=CC(Br)=NO1 M10839436P [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 O=CC1=CC(F)=CS1 M10217163P [0,1,0,0,0,0|1,1,1]=4 80 B8R1.1 O=CC1=CC=C(Br)N1 M10023412P [0,1,0,0,0,0|2,0,1]=4 81 B8R1.1 OCC1=CC(Br)=CS1 M10476713P [0,1,0,0,0,0|1,1,0]=3 82 B8R1.1 OCC1=CN(C)C=N1 M10148485P [0,1,0,0,0,0|3,0,0]=4 83 B8R1.1 OCC1=CN=C(Cl)S1 M10767693P [0,1,0,0,0,0|2,1,0]=4 84 B8R1.7 CC(C1=CC=CO1)C M10116563P [0,1,0,0,0,0|0,0,0]=1 85 B8R1.7 CC(C1=CNC=N1)=O M10353238P [0,1,0,0,0,0|2,0,1]=4 86 B8R1.7 CC(C1=NC=CS1)C M10138065P [0,1,0,0,0,0|1,1,0]=3 87 B8R1.7 CC(C1=NNC=C1)C M10252677P [0,1,0,0,0,0|2,0,0]=3 88 B8R1.7 CC(N1C=CN=C1)C M10064195P [0,1,0,0,0,0|3,0,0]=4 89 B8R1.7 O=C(C1=CC=CO1)O M10193915P [0,1,0,0,0,0|1,0,1]=3 90 B8R1.7 O=C(C1=CC=CS1)N M10080706P [0,1,0,0,0,0|1,1,1]=4 91 B8R1.7 O=C(C1=NC=CO1)O M10937159P [0,1,0,0,0,0|2,0,1]=4 92 B8R1.7 OB(C1=CC=CS1)O M10084567P [0,1,0,0,0,0|2,1,0]=4 93 B8R1.7 S=C(C1=CC=CO1)N M10150220P [0,1,0,0,0,0|1,0,1]=3 94 B8R1.7 S=C(C1=CC=CS1)N M10165254P [0,1,0,0,0,0|1,1,1]=4 95 B8R1.8 BrCCC1=CC=CS1 M10194071P [0,1,0,0,0,0|0,1,0]=2 96 B8R1.8 CCCN1N=CC=C1 M10217397P [0,1,0,0,0,0|2,0,0]=3 97 B8R1.8 CCOC1=NC=CS1 M10138070P [0,1,0,0,0,0|1,1,0]=3 98 B8R1.8 COCN1C=CN=C1 M10164190P [0,1,0,0,0,0|3,0,0]=4 99 B8R1.8 ClCCN1C=CN=C1 M10158400P [0,1,0,0,0,0|3,0,0]=4 100 B8R1.8 NCCC1=CNC=N1 M10000170P [0,1,0,0,0,0|2,0,0]=3 101 B8R1.8 NCCC1=CSC=C1 M10306606P [0,1,0,0,0,0|2,0,0]=3 102 B8R1.8 NCCC1=NC=CN1 M10159749P [0,1,0,0,0,0|2,0,0]=3 103 B8R1.11 BrCC1=C(Br)SC=C1 M10241441P [0,1,0,0,0,0|3,0,0]=4 104 B8R1.11 ClC1=C(CBr)C=CS1 M10241443P [0,1,0,0,0,0|3,0,0]=4 105 B8R1.11 ClCC1=C(Cl)SC=C1 M10671517P [0,1,0,0,0,0|3,0,0]=4 106 B8R1.11 N#CC1=C(C)C=CS1 M10282344P [0,1,0,0,0,0|1,1,1]=4 107 B8R1.11 NC1=NNC=C1CC M10250285P [0,1,0,0,0,0|3,0,0]=4 108 B8R1.11 NCC1=C(Br)SC=C1 M10785616P [0,1,0,0,0,0|3,0,0]=4 109 B8R1.11 O=CC1=C(F)C=CS1 M10217168P [0,1,0,0,0,0|1,1,1]=4 110 B8R1.11 OCC1=C(Br)N=CS1 M10848388P [0,1,0,0,0,0|2,1,0]=4 111 B8R1.11 OCC1=C(Br)SC=C1 M10437755P [0,1,0,0,0,0|3,0,0]=4 112 B8R1.11 OCC1=C(C)SC=N1 M10997559P [0,1,0,0,0,0|3,0,0]=4 113 B6R0.1 C\C=C\C(OC)=O M10156893P [0,0,1,0,0,0|1,0,2]=4 114 B6R0.1 O=C(OC=C)CCl M10186320P [0,0,1,0,0,0|2,0,0]=3 115 B6R0.6 C=CCOCCO M10003808P [0,0,1,0,0,0|1,0,2]=4 116 B6R0.6 C\C=C\C=C\C=O M10005449P [0,0,1,0,0,0|0,0,2]=3 117 B6R0.6 C\C=C\C=C\CO M10147270P [0,0,1,0,0,0|0,0,2]=3 118 B6R0.9 C=CC(OC)OC M10083121P [0,0,1,0,0,0|1,0,2]=4 119 B8R2.34 C12CC(C=C1)CC2 M10012355P [0,0,0,1,0,0|1,0,2]=4 120 B8R1.2 BrCC1=CC=CN=C1 M10067250P [0,0,0,0,0,1|2,0,0]=3 121 B8R1.2 BrCC1=NC=CC=C1 M10212637P [0,0,0,0,0,1|2,0,0]=3 122 B8R1.2 Br[Mg]C1=CC=CC=C1 M10002827P [0,0,0,0,0,1|3,0,0]=4 123 B8R1.2 COC1=CC=NN=C1 M10167172P [0,0,0,0,0,1|3,0,0]=4 124 B8R1.2 COC1=NN=CC=C1 M10158813P [0,0,0,0,0,1|2,0,0]=3 125 B8R1.2 COC1CCC=CO1 M11192011P [0,0,0,0,0,1|1,0,2]=4 126 B8R1.2 CSC1=NC=CC=N1 M10021362P [0,0,0,0,0,1|2,0,0]=3 127 B8R1.2 ClCC1=CC=CC=C1 M10002812P [0,0,0,0,0,1|2,0,0]=3 128 B8R1.2 ClCC1=NC=CC=N1 M10084385P [0,0,0,0,0,1|2,0,0]=3 129 B8R1.2 ClCC1=NC=CC=N1 M10275251P [0,0,0,0,0,1|2,0,0]=3 130 B8R1.2 ClCC1=NN=CC=C1 M10245250P [0,0,0,0,0,1|2,0,0]=3 131 B8R1.2 ClSC1=CC=CC=C1 M10023430P [0,0,0,0,0,1|3,0,0]=4 132 B8R1.2 Cl[Mg]C1=CC=CC=C1 M10002828P [0,0,0,0,0,1|3,0,0]=4 133 B8R1.2 FCC1=CC=NC=C1 M10489322P [0,0,0,0,0,1|2,0,0]=3 134 B8R1.2 NCC1=NC=CN=C1 M10163885P [0,0,0,0,0,1|2,0,0]=3 135 B8R1.2 NCC1=NC=CN=C1 M10239061P [0,0,0,0,0,1|2,0,0]=3 136 B8R1.2 NCC1=NN=CC=C1 M10614464P [0,0,0,0,0,1|2,0,0]=3 137 B8R1.2 NNC1=CC=CC=C1 M10000491P [0,0,0,0,0,1|3,0,0]=4 138 B8R1.2 NNC1=CC=NC=C1 M10197350P [0,0,0,0,0,1|3,0,0]=4 139 B8R1.2 NNC1=NC=CN=C1 M10277619P [0,0,0,0,0,1|3,0,0]=4 140 B8R1.2 NOC1=CC=CC=C1 M10083691P [0,0,0,0,0,1|3,0,0]=4 141 B8R1.2 O=CC1=NC=NC=C1 M10043890P [0,0,0,0,0,1|2,0,1]=4 142 B8R1.2 O=CC1=NN=CC=C1 M10312358P [0,0,0,0,0,1|2,0,1]=4 143 B8R1.2 OCC1=CC=NC=C1 M10365167P [0,0,0,0,0,1|2,0,0]=3 144 B8R1.2 OCC1=CCCCO1 M12277756P [0,0,0,0,0,1|1,0,2]=4 145 B8R1.2 OCC1=CN=CN=C1 M10188264P [0,0,0,0,0,1|3,0,0]=4 146 B8R1.2 OCC1=NC=NC=C1 M10220939P [0,0,0,0,0,1|2,0,0]=3 147 B8R1.2 ONC1=CC=CC=C1 M10002834P [0,0,0,0,0,1|3,0,0]=4 148 B8R1.2 [C-]#[N+]C1=CC=CC=C1 M10023426P [0,0,0,0,0,1|2,0,1]=4 149 B5R0.1 C=C(OCC)C M10023218P [1,0,1,0,0,0|0,0,2]=4 150 B5R0.1 C=COC(C)C M10023217P [1,0,1,0,0,0|0,0,2]=4 151 B5R0.1 CC(OC=O)=O M10041862P [1,0,1,0,0,0|2,0,0]=4 152 B5R0.2 C=CCOCC M10014106P [1,0,1,0,0,0|0,0,1]=3 153 B5R0.2 C=COCCO M10020115P [1,0,1,0,0,0|1,0,1]=4 154 B5R0.2 CCCOC=C M10020114P [1,0,1,0,0,0|0,0,1]=3 155 B5R0.2 C\C=C\OCC M10023285P [1,0,1,0,0,0|0,0,1]=3 156 B5R0.2 OC\C=C\CCl M10033040P [1,0,1,0,0,0|1,0,1]=4 157 B5R0.3 C=CC(NC)=O M10028554P [1,0,1,0,0,0|1,0,1]=4 158 B5R0.3 C=CC(O)CC M10016219P [1,0,1,0,0,0|0,0,1]=3 159 B5R0.3 C=C[C@H](O)CO M10361006P [1,0,1,0,0,0|1,0,1]=4 160 B5R0.3 CCC(C=O)=C M10023101P [1,0,1,0,0,0|1,0,0]=3 161 B5R1.1 C1=NC=CN1 M10031231P [2,0,0,0,0,0|2,0,0]=4 162 B5R1.1 O1C=NN=C1 M10007544P [2,0,0,0,0,0|2,0,0]=4 163 B5R1.1 O1N=CC=C1 M10007514P [2,0,0,0,0,0|1,0,0]=3 164 B5R1.1 S1N=CC=C1 M10007515P [2,0,0,0,0,0|1,1,0]=4 165 B7R0.3 O=C(OCC=C)CCl M10049025P [0,1,1,0,0,0|2,0,0]=4 166 B7R0.7 C=C(OCC)OCC M10046654P [0,1,1,0,0,0|0,0,2]=4 167 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,1,1,0,0,0|0,0,2]=4 168 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,1,1,0,0,0|1,0,1]=4 169 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [0,1,1,0,0,0|1,0,1]=4 170 B7R1.2 CC1=CC(Br)=CS1 M10206144P [1,1,0,0,0,0|0,1,0]=3 171 B7R1.2 CC1=CC=C(Br)O1 M10718133P [1,1,0,0,0,0|0,0,0]=2 172 B7R1.2 CC1=CC=C(Cl)S1 M10148223P [1,1,0,0,0,0|0,1,0]=3 173 B7R1.2 CC1=CN(C)N=C1 M10026171P [1,1,0,0,0,0|2,0,0]=4 174 B7R1.2 CC1=COC(Br)=N1 M11097892P [1,1,0,0,0,0|2,0,0]=4 175 B7R1.2 CC1=CSC(C)=C1 M10017342P [1,1,0,0,0,0|0,1,0]=3 176 B7R1.2 CC1=CSC(Cl)=N1 M10195545P [1,1,0,0,0,0|2,0,0]=4 177 B7R1.2 CC1=NN(C)C=C1 M10018607P [1,1,0,0,0,0|2,0,0]=4 178 B7R1.2 CN1N=C(Br)C=C1 M10776437P [1,1,0,0,0,0|2,0,0]=4 179 B7R1.2 CN1N=C(Cl)C=C1 M10392492P [1,1,0,0,0,0|2,0,0]=4 180 B7R1.2 IC1=CC=C(Br)S1 M10206408P [1,1,0,0,0,0|1,1,0]=4 181 B7R1.2 NC1=CC(C)=NS1 M10184328P [1,1,0,0,0,0|2,0,0]=4 182 B7R1.2 NC1=CC=C(C)S1 M10282879P [1,1,0,0,0,0|0,1,0]=3 183 B7R1.2 NC1=NC(C)=CO1 M10228028P [1,1,0,0,0,0|2,0,0]=4 184 B7R1.2 NC1=NC=C(C)O1 M10219349P [1,1,0,0,0,0|1,0,0]=3 185 B7R1.2 O=C1NC(C)=CN1 M10028708P [1,1,0,0,0,0|2,0,0]=4 186 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,1,0,0,0,0|0,0,1]=3 187 B7R1.2 OC1=CC(C)=NN1 M10735473P [1,1,0,0,0,0|2,0,0]=4 188 B7R1.4 CC1=C(C)SC=C1 M11197216P [1,1,0,0,0,0|0,1,0]=3 189 B7R1.4 CC1=CNN=C1C M10047993P [1,1,0,0,0,0|2,0,0]=4 190 B7R1.4 CC1=CNN=C1C M10830281P [1,1,0,0,0,0|2,0,0]=4 191 B7R1.4 CC1=NNC=C1I M10138633P [1,1,0,0,0,0|2,0,0]=4 192 B7R1.4 NC1=C(C)ON=C1 M10520047P [1,1,0,0,0,0|1,0,0]=3 193 B7R1.4 NC1=CC=NN1C M10028700P [1,1,0,0,0,0|2,0,0]=4 194 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [1,1,0,0,0,0|1,0,1]=4 195 B9R1.1 BrCC1=CN=C(Br)C=C1 M10646101P [0,1,0,0,0,1|2,0,0]=4 196 B9R1.1 CC1=CC=C(C=C1)NC M10016620P [0,1,0,0,0,1|2,0,0]=4 197 B9R1.1 CC1=CC=C(C=C1)NC M10186142P [0,1,0,0,0,1|2,0,0]=4 198 B9R1.1 CC1=CN=C(CCl)C=C1 M10020245P [0,1,0,0,0,1|2,0,0]=4 199 B9R1.1 CC1=NC=C(CBr)C=C1 M10944411P [0,1,0,0,0,1|2,0,0]=4 200 B9R1.1 CC1=NC=C(CCl)C=C1 M10664175P [0,1,0,0,0,1|2,0,0]=4 201 B9R1.1 CCC1=NC=C(Br)C=C1 M10237559P [0,1,0,0,0,1|1,0,0]=3 202 B9R1.1 CNC1=CC=C(Br)C=C1 M10097143P [0,1,0,0,0,1|2,0,0]=4 203 B9R1.1 CNC1=NN=C(Br)C=C1 M11113469P [0,1,0,0,0,1|2,0,0]=4 204 B9R1.1 COC1=CN=C(Br)C=C1 M10657138P [0,1,0,0,0,1|2,0,0]=4 205 B9R1.1 COC1=NC=C(Br)C=N1 M10127996P [0,1,0,0,0,1|2,0,0]=4 206 B9R1.1 COC1=NC=C(Cl)C=N1 M10236363P [0,1,0,0,0,1|2,0,0]=4 207 B9R1.1 COC1=NN=C(Br)C=C1 M10148737P [0,1,0,0,0,1|2,0,0]=4 208 B9R1.1 COC1=NN=C(Cl)C=C1 M10035305P [0,1,0,0,0,1|2,0,0]=4 209 B9R1.1 CSC1=CN=C(Br)C=N1 M11096900P [0,1,0,0,0,1|2,0,0]=4 210 B9R1.1 IC1=CN=C(OC)C=C1 M10124057P [0,1,0,0,0,1|2,0,0]=4 211 B9R1.1 NC1=CC=C(CC)N=C1 M10723729P [0,1,0,0,0,1|1,0,0]=3 212 B9R1.1 NC1=CC=C(CN)C=C1 M10062858P [0,1,0,0,0,1|2,0,0]=4 213 B9R1.1 NC1=CC=C(CN)C=C1 M10278744P [0,1,0,0,0,1|2,0,0]=4 214 B9R1.1 NC1=CC=C(NC)C=C1 M10016621P [0,1,0,0,0,1|2,0,0]=4 215 B9R1.1 NC1=CN=C(NC)C=C1 M10200529P [0,1,0,0,0,1|2,0,0]=4 216 B9R1.1 NC1=CN=C(OC)N=C1 M10289614P [0,1,0,0,0,1|2,0,0]=4 217 B9R1.1 NC1=NN=C(OC)C=C1 M10103130P [0,1,0,0,0,1|2,0,0]=4 218 B9R1.1 NCC1=CC=C(Br)N=C1 M10711508P [0,1,0,0,0,1|2,0,0]=4 219 B9R1.1 OC1=CC=C(NC)C=C1 M10005653P [0,1,0,0,0,1|2,0,0]=4 220 B9R1.1 OC1=CN=C(OC)N=C1 M10602718P [0,1,0,0,0,1|2,0,0]=4 221 B9R1.1 OCC1=CC=C(C)N=C1 M10222716P [0,1,0,0,0,1|2,0,0]=4 222 B9R1.1 OCC1=CC=C(S)C=C1 M10270070P [0,1,0,0,0,1|2,0,0]=4 223 B9R1.1 OCC1=CN=C(Br)C=C1 M10714795P [0,1,0,0,0,1|2,0,0]=4 224 B9R1.1 OCC1=NC=C(F)C=C1 M10960625P [0,1,0,0,0,1|2,0,0]=4 225 B9R1.1 SC1=CC=C(CC)C=C1 M10067515P [0,1,0,0,0,1|1,0,0]=3 226 B9R1.2 BrCC1=CC=CC(Br)=N1 M10489838P [0,1,0,0,0,1|2,0,0]=4 227 B9R1.2 CC1=CC(CBr)=CC=C1 M10016435P [0,1,0,0,0,1|2,0,0]=4 228 B9R1.2 CC1=CC(CCl)=NC=C1 M10444009P [0,1,0,0,0,1|2,0,0]=4 229 B9R1.2 CC1=CC=CC(CC)=N1 M10027285P [0,1,0,0,0,1|1,0,0]=3 230 B9R1.2 CC1=CN=CC(CCl)=C1 M11092291P [0,1,0,0,0,1|2,0,0]=4 231 B9R1.2 CNC1=CC(Br)=CN=C1 M12277746P [0,1,0,0,0,1|2,0,0]=4 232 B9R1.2 CNC1=NC=NC(Cl)=C1 M10415172P [0,1,0,0,0,1|2,0,0]=4 233 B9R1.2 COC1=CC(Br)=CC=C1 M10043370P [0,1,0,0,0,1|2,0,0]=4 234 B9R1.2 COC1=CC(Br)=NC=C1 M10572179P [0,1,0,0,0,1|2,0,0]=4 235 B9R1.2 COC1=CC(Br)=NC=N1 M10434770P [0,1,0,0,0,1|2,0,0]=4 236 B9R1.2 COC1=CC(Cl)=NC=C1 M10148084P [0,1,0,0,0,1|2,0,0]=4 237 B9R1.2 COC1=CC(Cl)=NC=N1 M10193957P [0,1,0,0,0,1|2,0,0]=4 238 B9R1.2 COC1=CC(I)=NC=N1 M10790358P [0,1,0,0,0,1|2,0,0]=4 239 B9R1.2 COC1=CC=CC(F)=N1 M10700396P [0,1,0,0,0,1|2,0,0]=4 240 B9R1.2 COC1=CC=NC(Br)=N1 M10086277P [0,1,0,0,0,1|2,0,0]=4 241 B9R1.2 COC1=C[N+]([O-])=CC=C1 M10133877P [0,1,0,0,0,1|2,0,0]=4 242 B9R1.2 COC1=NC(I)=NC=C1 M10186756P [0,1,0,0,0,1|2,0,0]=4 243 B9R1.2 COC1=NC=CC(I)=C1 M10634449P [0,1,0,0,0,1|2,0,0]=4 244 B9R1.2 CSC1=CC(Br)=NC=N1 M10113605P [0,1,0,0,0,1|2,0,0]=4 245 B9R1.2 CSC1=CC(Cl)=NC=N1 M10565189P [0,1,0,0,0,1|2,0,0]=4 246 B9R1.2 CSC1=CC=CC(Br)=N1 M10454533P [0,1,0,0,0,1|2,0,0]=4 247 B9R1.2 CSC1=NC(Cl)=NC=C1 M10253231P [0,1,0,0,0,1|2,0,0]=4 248 B9R1.2 CSC1=NC=CC(Br)=N1 M11090114P [0,1,0,0,0,1|2,0,0]=4 249 B9R1.2 CSC1=NC=CC(C)=N1 M10127994P [0,1,0,0,0,1|2,0,0]=4 250 B9R1.2 ClC1=NC=CC(CBr)=N1 M10809079P [0,1,0,0,0,1|2,0,0]=4 251 B9R1.2 IC1=CC(CBr)=CC=C1 M10252627P [0,1,0,0,0,1|2,0,0]=4 252 B9R1.2 NC1=NC(CCl)=NC=C1 M10476274P [0,1,0,0,0,1|2,0,0]=4 253 B9R1.2 NC1=NC(OC)=CN=C1 M10097094P [0,1,0,0,0,1|2,0,0]=4 254 B9R1.2 NC1=NC=CC(CC)=C1 M10219781P [0,1,0,0,0,1|1,0,0]=3 255 B9R1.2 NCC1=CC(Br)=NC=C1 M11003796P [0,1,0,0,0,1|2,0,0]=4 256 B9R1.2 NCC1=CC=CC(Br)=C1 M10241157P [0,1,0,0,0,1|2,0,0]=4 257 B9R1.2 NCC1=NC(C)=CC=C1 M10094154P [0,1,0,0,0,1|2,0,0]=4 258 B9R1.2 NCC1=NC=CC(Br)=C1 M10091425P [0,1,0,0,0,1|2,0,0]=4 259 B9R1.2 O=C1C=C(OC)C=CN1 M10265734P [0,1,0,0,0,1|2,0,0]=4 260 B9R1.2 O=C1N=C(OC)NC=C1 M10191767P [0,1,0,0,0,1|2,0,0]=4 261 B9R1.2 OC1=CC=CC(CC)=C1 M10016438P [0,1,0,0,0,1|1,0,0]=3 262 B9R1.2 OCC1=CC=CC(C)=C1 M10014885P [0,1,0,0,0,1|2,0,0]=4 263 B9R1.2 OCC1=NC(F)=CC=C1 M10857387P [0,1,0,0,0,1|2,0,0]=4 264 B9R1.2 OCC1=NC=CC(Br)=C1 M10733744P [0,1,0,0,0,1|2,0,0]=4 265 B9R1.6 CC(C1=NC=CC=N1)=O M10270086P [0,1,0,0,0,1|1,0,1]=4 266 B9R1.6 CC(N)C1=NC=CC=C1 M10247824P [0,1,0,0,0,1|1,0,0]=3 267 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [0,1,0,0,0,1|1,0,0]=3 268 B9R1.6 CC(O)C1=CC=CN=C1 M10066006P [0,1,0,0,0,1|1,0,0]=3 269 B9R1.6 CN(C)C1=NC=NC=C1 M10213745P [0,1,0,0,0,1|2,0,0]=4 270 B9R1.6 C[C@@H](N)C1=NC=CC=C1 M10251364P [0,1,0,0,0,1|1,0,0]=3 271 B9R1.6 C[C@H](N)C1=NC=CC=C1 M10199865P [0,1,0,0,0,1|1,0,0]=3 272 B9R1.6 C[SiH](C)C1=CC=CC=C1 M10020227P [0,1,0,0,0,1|1,1,0]=4 273 B9R1.6 NC(C)C1=CC=CC=C1 M10209842P [0,1,0,0,0,1|1,0,0]=3 274 B9R1.8 Br[Mg]CC1=CC=CC=C1 M10033223P [0,1,0,0,0,1|2,0,0]=4 275 B9R1.8 CCNC1=CC=CN=C1 M10217063P [0,1,0,0,0,1|1,0,0]=3 276 B9R1.8 CCOC1=NN=CC=C1 M10375586P [0,1,0,0,0,1|1,0,0]=3 277 B9R1.8 CCOC1CCC=CO1 M10003099P [0,1,0,0,0,1|0,0,2]=4 278 B9R1.8 COCC1=CC=CC=C1 M10013562P [0,1,0,0,0,1|1,0,0]=3 279 B9R1.8 Cl[Mg]CC1=CC=CC=C1 M10097238P [0,1,0,0,0,1|2,0,0]=4 280 B9R1.8 NCCC1=CC=CC=C1 M10005773P [0,1,0,0,0,1|1,0,0]=3 281 B9R1.8 NNCC1=CC=CC=C1 M10014053P [0,1,0,0,0,1|2,0,0]=4 282 B9R1.8 NOCC1=CC=CC=C1 M10016568P [0,1,0,0,0,1|2,0,0]=4 283 B9R1.8 NOCC1=CC=CC=C1 M10046733P [0,1,0,0,0,1|2,0,0]=4 284 B9R1.8 OCCC1=CC=NC=C1 M10071683P [0,1,0,0,0,1|1,0,0]=3 285 B9R1.8 OCCC1=CN=CN=C1 M10014182P [0,1,0,0,0,1|2,0,0]=4 286 B9R1.8 OCCC1=NC=CN=C1 M10095634P [0,1,0,0,0,1|1,0,0]=3 287 B9R1.8 ONCC1=CC=CC=C1 M10016566P [0,1,0,0,0,1|2,0,0]=4 288 B9R1.8 SCCC1=CC=CC=C1 M10062928P [0,1,0,0,0,1|1,0,0]=3 289 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 M10114263P [0,1,0,0,0,1|1,0,1]=4 290 B9R1.15 CC1=C(CBr)C=NC=C1 M10141630P [0,1,0,0,0,1|2,0,0]=4 291 B9R1.15 CC1=CC=CC=C1CBr M10001945P [0,1,0,0,0,1|2,0,0]=4 292 B9R1.15 CC1=CC=CC=C1NC M10015911P [0,1,0,0,0,1|2,0,0]=4 293 B9R1.15 CNC1=CC=CC=C1Br M10096542P [0,1,0,0,0,1|2,0,0]=4 294 B9R1.15 CNC1=CC=CN=C1Cl M10244388P [0,1,0,0,0,1|2,0,0]=4 295 B9R1.15 COC1=CC=CC=C1Br M10014608P [0,1,0,0,0,1|2,0,0]=4 296 B9R1.15 COC1=NC=CN=C1Cl M10241827P [0,1,0,0,0,1|2,0,0]=4 297 B9R1.15 COC1=NC=NC=C1Br M10061985P [0,1,0,0,0,1|2,0,0]=4 298 B9R1.15 COC1=NC=NC=C1Cl M10696565P [0,1,0,0,0,1|2,0,0]=4 299 B9R1.15 CSC1=NC=CN=C1C M10428474P [0,1,0,0,0,1|2,0,0]=4 300 B9R1.15 IC1=CC=CC=C1CCl M10307641P [0,1,0,0,0,1|2,0,0]=4 301 B9R1.15 NC1=CC=CC=C1CN M10062856P [0,1,0,0,0,1|2,0,0]=4 302 B9R1.15 NC1=CC=CC=C1NC M10066051P [0,1,0,0,0,1|2,0,0]=4 303 B9R1.15 NCC1=C(F)C=NC=C1 M11008987P [0,1,0,0,0,1|2,0,0]=4 304 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [0,1,0,0,0,1|2,0,0]=4 305 B9R1.15 O=C1C(CN)=CC=CN1 M10502587P [0,1,0,0,0,1|2,0,0]=4 306 B9R1.15 OC1=CC=CC=C1CBr M10300898P [0,1,0,0,0,1|2,0,0]=4 307 B9R1.15 OCC1=NC=CC=C1N M10264876P [0,1,0,0,0,1|2,0,0]=4 308 B9R1.15 OCC1=NC=CC=C1O M10129274P [0,1,0,0,0,1|2,0,0]=4 309 B9R1.7 CC1=NC(CCN)=CN1 M10230514P [0,2,0,0,0,0|2,0,0]=4 310 B9R1.7 NC1=NNC(COC)=C1 M10947587P [0,2,0,0,0,0|2,0,0]=4 311 B9R1.21 ClCC1=CC=C(CCl)S1 M10202767P [0,2,0,0,0,0|1,1,0]=4 312 B9R1.21 O=CC1=CC=C(C=O)O1 M10021390P [0,2,0,0,0,0|1,0,1]=4 313 B9R1.21 O=CC1=CC=C(CC)S1 M10231895P [0,2,0,0,0,0|0,1,0]=3 314 B9R1.21 O=CC1=CC=C(CO)O1 M10000689P [0,2,0,0,0,0|1,0,0]=3 315 B9R1.21 O=CC1=CN(CC)N=C1 M10855199P [0,2,0,0,0,0|2,0,0]=4 316 B9R1.22 CC1=CC(C)=NN1CC M10150613P [0,2,0,0,0,0|2,0,0]=4 317 B9R1.23 NC1=CN(CC)N=C1C M10087436P [0,2,0,0,0,0|2,0,0]=4 318 B9R1.23 NC1=CN(CC)N=C1C M11108144P [0,2,0,0,0,0|2,0,0]=4 319 B9R1.35 CC(C1=CC(Br)=CS1)=O M10102448P [0,2,0,0,0,0|0,1,1]=4 320 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [0,2,0,0,0,0|1,0,1]=4 321 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [0,2,0,0,0,0|1,0,1]=4 322 B9R1.35 O=C(O)C1=CC(Br)=CO1 M10054505P [0,2,0,0,0,0|1,0,1]=4 323 B9R1.11 BrCC(C1=CC=CS1)=O M10115924P [0,2,0,0,0,0|0,1,1]=4 324 B9R1.11 O=C(C1=CC=CO1)SC M10125734P [0,2,0,0,0,0|0,0,1]=3 325 B9R1.11 O=C(C1=CC=CS1)OC M10072317P [0,2,0,0,0,0|0,1,1]=4 326 B9R1.11 O=C(C1=CC=NO1)OC M10134693P [0,2,0,0,0,0|1,0,1]=4 327 B9R1.19 CC(C1=NN=CO1)(C)C M10845549P [0,2,0,0,0,0|2,0,0]=4 328 B9R1.19 FC(C1=CC=NO1)(F)F M10702154P [0,2,0,0,0,0|2,0,0]=4 329 B9R1.41 CC(C1=C(Br)C=CS1)=O M10249884P [0,2,0,0,0,0|0,1,1]=4 330 B9R1.12 CCCCC1=CC=CS1 M10031024P [0,2,0,0,0,0|0,1,0]=3 331 B9R1.12 CCCCC1C=CC=C1 M10596335P [0,2,0,0,0,0|1,0,1]=4 332 B9R1.12 CSSCC1=CC=CO1 M10295500P [0,2,0,0,0,0|0,0,0]=2 333 B9R1.12 O=CSCC1=CC=CO1 M10304820P [0,2,0,0,0,0|0,0,1]=3 334 B9R1.13 CC(N)CC1=CC=CO1 M10295935P [0,2,0,0,0,0|0,0,0]=2 335 B9R1.27 CC1=CNC(C)=C1CC M10012904P [0,2,0,0,0,0|2,0,0]=4 336 B7R1.3 OC1=CC=CC=C1 M10624650P [0,0,1,1,0,0|0,0,2]=4 337 B7R1.24 C1=CC=CC=CC1 M10013742P [0,0,1,1,0,0|1,0,1]=4 338 B9R2.50 C12=CC=CC=C1CC2 M10018631P [0,0,0,1,0,1|1,0,0]=3 339 B5R1.3 CC[C@H]1OC1 M10057431P [0,0,0,0,2,0|0,0,2]=4