0 B5R1.1 C1=NC=CN1 M10031231P [0,0,0,0,0,0|1,0,0]=1 1 B5R1.1 N1N=NC=C1 M10187991P [0,0,0,0,0,0|2,0,0]=2 2 B5R1.1 N1N=NN=C1 M10200440P [0,0,0,0,0,0|3,0,0]=3 3 B5R1.1 N1N=NNC1 M12024331P [0,0,0,0,0,0|3,0,1]=4 4 B5R1.1 O1C=NN=C1 M10007544P [0,0,0,0,0,0|2,0,1]=3 5 B5R1.1 O1N=CC=C1 M10007514P [0,0,0,0,0,0|1,0,1]=2 6 B5R1.1 O1NCCC1 M10012567P [0,0,0,0,0,0|1,0,3]=4 7 B5R1.1 S1N=CC=C1 M10007515P [0,0,0,0,0,0|1,0,1]=2 8 B6R1.2 BrC1=CN=CS1 M10050406P [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 BrC1=CNC=N1 M10042301P [0,1,0,0,0,0|1,0,0]=2 10 B6R1.2 BrC1=CSN=C1 M10184329P [0,1,0,0,0,0|1,0,1]=3 11 B6R1.2 BrC1=NC=CN1 M10144381P [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 BrC1=NC=NN1 M10104062P [0,1,0,0,0,0|2,0,0]=3 13 B6R1.2 BrC1=NN=CS1 M10351620P [0,1,0,0,0,0|2,0,1]=4 14 B6R1.2 BrC1=NNC=C1 M10131684P [0,1,0,0,0,0|1,0,0]=2 15 B6R1.2 CC1=CC=CN1 M10017268P [0,1,0,0,0,0|0,0,0]=1 16 B6R1.2 CC1=CC=NN1 M10522458P [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 CC1=CN=CS1 M10055792P [0,1,0,0,0,0|1,0,1]=3 18 B6R1.2 CC1=CNN=N1 M10199661P [0,1,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=COC=C1 M10023353P [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 CC1=NNC=N1 M10102125P [0,1,0,0,0,0|2,0,0]=3 21 B6R1.2 CN1N=CN=C1 M10083614P [0,1,0,0,0,0|2,0,0]=3 22 B6R1.2 ClC1=CNN=C1 M10139166P [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 ClC1=NC=CS1 M10050403P [0,1,0,0,0,0|1,0,1]=3 24 B6R1.2 ClC1=NNC=N1 M10096435P [0,1,0,0,0,0|2,0,0]=3 25 B6R1.2 IC1=CSC=C1 M10115512P [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 IC1=NC=CN1 M10050409P [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 IC1=NNC=N1 M10105169P [0,1,0,0,0,0|2,0,0]=3 28 B6R1.2 NC1=CC=NO1 M10132694P [0,1,0,0,0,0|1,0,1]=3 29 B6R1.2 NC1=COC=N1 M10159955P [0,1,0,0,0,0|1,0,1]=3 30 B6R1.2 NC1=CSC=C1 M10189866P [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 NC1=CSC=C1 M11005288P [0,1,0,0,0,0|1,0,0]=2 32 B6R1.2 NC1=NC=CN1 M10110055P [0,1,0,0,0,0|1,0,0]=2 33 B6R1.2 NC1=NC=CS1 M10084286P [0,1,0,0,0,0|1,0,1]=3 34 B6R1.2 NC1=NC=NS1 M10108595P [0,1,0,0,0,0|2,0,1]=4 35 B6R1.2 NC1=NN=NN1 M10136971P [0,1,0,0,0,0|3,0,0]=4 36 B6R1.2 NC1CC=CC1 M10604219P [0,1,0,0,0,0|1,0,2]=4 37 B6R1.2 NN1N=CC=C1 M10059159P [0,1,0,0,0,0|1,0,0]=2 38 B6R1.2 O=C1CNCC1 M10002481P [0,1,0,0,0,0|0,0,3]=4 39 B6R1.2 O=C1CNCC1 M10057424P [0,1,0,0,0,0|0,0,3]=4 40 B6R1.2 O=C1NCNC1 M10035055P [0,1,0,0,0,0|1,0,2]=4 41 B6R1.2 O=C1NCNC1 M10140916P [0,1,0,0,0,0|1,0,2]=4 42 B6R1.2 O=C1NNC=N1 M10023357P [0,1,0,0,0,0|2,0,0]=3 43 B6R1.2 O=C1SCCN1 M10046694P [0,1,0,0,0,0|1,0,2]=4 44 B6R1.2 OC1CC=CC1 M10130348P [0,1,0,0,0,0|1,0,2]=4 45 B6R1.2 S=C1SC=CN1 M10079135P [0,1,0,0,0,0|1,0,0]=2 46 B6R1.2 SC1=NC=CS1 M10487088P [0,1,0,0,0,0|1,0,1]=3 47 B4R0.2 C(NCC)=O M10016925P [0,0,1,0,0,0|1,0,2]=4 48 B4R0.2 C=CCCCl M10023256P [0,0,1,0,0,0|1,0,2]=4 49 B4R0.2 C=CCCN M10044983P [0,0,1,0,0,0|0,0,2]=3 50 B4R0.2 C=CCOC M10016921P [0,0,1,0,0,0|1,0,2]=4 51 B4R0.2 C=CC[Mg]Br M10035431P [0,0,1,0,0,0|2,0,1]=4 52 B4R0.2 C=CC[Mg]Cl M10046066P [0,0,1,0,0,0|2,0,1]=4 53 B4R0.2 C\C=C\C=O M10004592P [0,0,1,0,0,0|1,0,1]=3 54 B4R0.2 C\C=C\CCl M10015079P [0,0,1,0,0,0|1,0,2]=4 55 B4R0.2 C\C=C\OC M10103777P [0,0,1,0,0,0|1,0,2]=4 56 B4R0.2 NOCC=C M10238130P [0,0,1,0,0,0|1,0,1]=3 57 B6R1.1 C1=CC=CC=C1 M12018253P [0,0,0,0,0,1|1,0,0]=2 58 B6R1.1 C1=CC=CCC1 M10015100P [0,0,0,0,0,1|1,0,0]=2 59 B6R1.1 C1=NC=CC=C1 M12277192P [0,0,0,0,0,1|0,0,1]=2 60 B6R1.1 P1=PP=CC=C1 M10278504P [0,0,0,0,0,1|1,1,0]=3 61 B3R0.1 C=CC#N M10003410P [1,0,1,0,0,0|0,0,2]=4 62 B3R0.1 C=CCBr M12278706P [1,0,1,0,0,0|1,0,1]=4 63 B3R0.1 C=CCI M10014069P [1,0,1,0,0,0|1,0,1]=4 64 B3R0.1 C=CCN M10003408P [1,0,1,0,0,0|0,0,1]=3 65 B3R0.1 C=COC M10003420P [1,0,1,0,0,0|1,0,1]=4 66 B3R0.1 C=C[Mg]Cl M10055369P [1,0,1,0,0,0|2,0,0]=4 67 B5R0.1 C\C=C\C(Cl)=O M10016774P [0,1,1,0,0,0|1,0,1]=4 68 B5R0.1 C\C=C\C(Cl)=O M10115520P [0,1,1,0,0,0|1,0,1]=4 69 B5R0.2 NOC\C=C\Cl M10517974P [0,1,1,0,0,0|1,0,1]=4 70 B5R0.2 NOC\C=C\Cl M10631116P [0,1,1,0,0,0|1,0,1]=4 71 B5R0.2 O=CNNC=O M10016977P [0,1,1,0,0,0|2,0,0]=4 72 B5R0.3 C=CC(NC)=O M10028554P [0,1,1,0,0,0|0,0,1]=3 73 B5R0.3 C=CC(O)C=C M10023103P [0,1,1,0,0,0|1,0,0]=3 74 B5R1.2 O=C1CNC1 M10150179P [0,1,0,0,1,0|0,0,2]=4 75 B5R1.2 O=C1NCC1 M10023349P [0,1,0,0,1,0|0,0,2]=4 76 B7R1.3 BrC1=CC=CN=C1 M10197004P [0,1,0,0,0,1|0,0,1]=3 77 B7R1.3 BrC1=CC=NN=C1 M10697925P [0,1,0,0,0,1|0,0,1]=3 78 B7R1.3 BrC1=NC=CC=C1 M10003585P [0,1,0,0,0,1|0,0,1]=3 79 B7R1.3 BrC1=NC=CC=N1 M10064662P [0,1,0,0,0,1|0,0,1]=3 80 B7R1.3 BrC1=NC=CN=C1 M10288341P [0,1,0,0,0,1|0,0,1]=3 81 B7R1.3 CC1=NN=CC=C1 M10033962P [0,1,0,0,0,1|0,0,1]=3 82 B7R1.3 ClC1=CC=NN=C1 M10147781P [0,1,0,0,0,1|0,0,1]=3 83 B7R1.3 ClC1=CN=CN=C1 M10147783P [0,1,0,0,0,1|0,0,1]=3 84 B7R1.3 FC1=CN=CN=C1 M10018150P [0,1,0,0,0,1|0,0,1]=3 85 B7R1.3 FC1=NC=CC=N1 M10214399P [0,1,0,0,0,1|0,0,1]=3 86 B7R1.3 FC1=NC=CN=C1 M10067536P [0,1,0,0,0,1|0,0,1]=3 87 B7R1.3 IC1=NC=CN=C1 M10216073P [0,1,0,0,0,1|0,0,1]=3 88 B7R1.3 NC1=CN=CN=C1 M10015058P [0,1,0,0,0,1|0,0,1]=3 89 B7R1.3 NC1=NC=CC=C1 M10192677P [0,1,0,0,0,1|0,0,1]=3 90 B7R1.3 NC1=NC=CN=N1 M10027198P [0,1,0,0,0,1|1,0,1]=4 91 B7R1.3 N[N+]1=CC=CC=C1 M10087552P [0,1,0,0,0,1|0,0,1]=3 92 B7R1.3 O=C1NC=NC=C1 M10262703P [0,1,0,0,0,1|0,0,0]=2 93 B7R1.3 OC1=CC=CC=C1 M10624650P [0,1,0,0,0,1|1,0,0]=3 94 B7R1.3 OC1=NC=CN=C1 M10086016P [0,1,0,0,0,1|0,0,1]=3 95 B7R1.3 OC1=NC=NC=C1 M10262704P [0,1,0,0,0,1|0,0,1]=3 96 B7R1.3 SC1=CC=CC=C1 M10003579P [0,1,0,0,0,1|1,0,0]=3 97 B7R1.3 [Hg+]C1=CC=CC=C1 M10000570P [0,1,0,0,0,1|1,0,0]=3 98 B7R1.3 [Li]C1=CC=CC=C1 M10015056P [0,1,0,0,0,1|1,0,0]=3 99 B7R1.3 [O-]C1=CC=CC=C1 M10005245P [0,1,0,0,0,1|1,0,0]=3 100 B7R1.3 [O-]C1=CC=CN=C1 M10265709P [0,1,0,0,0,1|0,0,1]=3 101 B7R1.3 [O-][N+]1=CC=CN=C1 M10146796P [0,1,0,0,0,1|0,0,1]=3 102 B7R1.3 [S-]C1=CC=CC=C1 M10208208P [0,1,0,0,0,1|1,0,0]=3 103 B7R1.3 [SiH3]C1=CC=CC=C1 M10018611P [0,1,0,0,0,1|1,0,0]=3 104 B7R1.1 BrCC1=CC=CO1 M10063276P [0,2,0,0,0,0|1,0,0]=3 105 B7R1.1 BrCC1=NNC=C1 M10649267P [0,2,0,0,0,0|1,0,0]=3 106 B7R1.1 C#CC1=CC=CS1 M10061791P [0,2,0,0,0,0|1,0,0]=3 107 B7R1.1 C#CC1=CSC=C1 M10423991P [0,2,0,0,0,0|1,0,0]=3 108 B7R1.1 CCC1=NC=CS1 M10138064P [0,2,0,0,0,0|1,0,1]=4 109 B7R1.1 CCN1N=CC=C1 M10047966P [0,2,0,0,0,0|1,0,0]=3 110 B7R1.1 CCN1N=CN=C1 M10145084P [0,2,0,0,0,0|2,0,0]=4 111 B7R1.1 CSC1=NC=CS1 M10068366P [0,2,0,0,0,0|1,0,1]=4 112 B7R1.1 ClCC1=CC=CS1 M10020165P [0,2,0,0,0,0|1,0,0]=3 113 B7R1.1 ClCC1=CSC=N1 M10109961P [0,2,0,0,0,0|1,0,1]=4 114 B7R1.1 ClCC1=NC=CO1 M10813721P [0,2,0,0,0,0|1,0,1]=4 115 B7R1.1 ClCN1N=CN=C1 M10496689P [0,2,0,0,0,0|2,0,0]=4 116 B7R1.1 N#CC1=CC=CO1 M10016313P [0,2,0,0,0,0|1,0,0]=3 117 B7R1.1 N#CC1=CNC=C1 M10101161P [0,2,0,0,0,0|0,0,0]=2 118 B7R1.1 N#CC1=CNN=C1 M10212651P [0,2,0,0,0,0|1,0,0]=3 119 B7R1.1 N#CC1=CSC=N1 M10030981P [0,2,0,0,0,0|1,0,1]=4 120 B7R1.1 NCC1=CC=CN1 M10405721P [0,2,0,0,0,0|0,0,0]=2 121 B7R1.1 NCC1=CN=CO1 M10111263P [0,2,0,0,0,0|1,0,1]=4 122 B7R1.1 NCC1=CN=CS1 M10790734P [0,2,0,0,0,0|1,0,1]=4 123 B7R1.1 NCC1=CN=NN1 M10706931P [0,2,0,0,0,0|2,0,0]=4 124 B7R1.1 NCC1=CNN=C1 M10233809P [0,2,0,0,0,0|1,0,0]=3 125 B7R1.1 NCC1=CNN=C1 M11111217P [0,2,0,0,0,0|1,0,0]=3 126 B7R1.1 NCC1=NC=CO1 M11020248P [0,2,0,0,0,0|1,0,1]=4 127 B7R1.1 NCC1=NC=CS1 M10283798P [0,2,0,0,0,0|1,0,1]=4 128 B7R1.1 NCC1=NNC=C1 M10233808P [0,2,0,0,0,0|1,0,0]=3 129 B7R1.1 NCC1=NOC=C1 M10109645P [0,2,0,0,0,0|1,0,1]=4 130 B7R1.1 O=CC1=CC=CN1 M10846417P [0,2,0,0,0,0|0,0,0]=2 131 B7R1.1 O=CC1=NC=CO1 M10412277P [0,2,0,0,0,0|1,0,1]=4 132 B7R1.1 O=CC1=NC=CS1 M10112946P [0,2,0,0,0,0|1,0,1]=4 133 B7R1.1 O=CC1=NNC=C1 M10058610P [0,2,0,0,0,0|1,0,0]=3 134 B7R1.1 O=CN1C=CN=C1 M10052134P [0,2,0,0,0,0|1,0,0]=3 135 B7R1.1 OCC1=CNC=N1 M10021336P [0,2,0,0,0,0|1,0,0]=3 136 B7R1.1 OCC1=NC=CO1 M10731569P [0,2,0,0,0,0|1,0,1]=4 137 B7R1.1 OCC1=NNC=C1 M10180756P [0,2,0,0,0,0|1,0,0]=3 138 B7R1.1 SCC1=CC=CS1 M10085524P [0,2,0,0,0,0|1,0,0]=3 139 B7R1.2 CC1=CC(Br)=CS1 M10206144P [0,2,0,0,0,0|1,0,0]=3 140 B7R1.2 CC1=CC=C(Br)O1 M10718133P [0,2,0,0,0,0|1,0,0]=3 141 B7R1.2 CC1=CC=C(Cl)S1 M10148223P [0,2,0,0,0,0|1,0,0]=3 142 B7R1.2 CC1=CN(C)N=C1 M10026171P [0,2,0,0,0,0|1,0,0]=3 143 B7R1.2 CC1=COC(Br)=N1 M11097892P [0,2,0,0,0,0|1,0,1]=4 144 B7R1.2 CC1=CSC(C)=C1 M10017342P [0,2,0,0,0,0|1,0,0]=3 145 B7R1.2 CC1=CSC(Cl)=N1 M10195545P [0,2,0,0,0,0|1,0,1]=4 146 B7R1.2 CC1=NN(C)C=C1 M10018607P [0,2,0,0,0,0|1,0,0]=3 147 B7R1.2 CC1=NN=C(C)N1 M10104063P [0,2,0,0,0,0|2,0,0]=4 148 B7R1.2 CN1C=C(Br)N=C1 M10190735P [0,2,0,0,0,0|1,0,0]=3 149 B7R1.2 CN1N=C(Br)C=C1 M10776437P [0,2,0,0,0,0|1,0,0]=3 150 B7R1.2 CN1N=C(Cl)C=C1 M10392492P [0,2,0,0,0,0|1,0,0]=3 151 B7R1.2 CN1N=NC(Br)=C1 M10122296P [0,2,0,0,0,0|2,0,0]=4 152 B7R1.2 C[N+]1=CN(C)C=C1 M10477361P [0,2,0,0,0,0|1,0,0]=3 153 B7R1.2 ClC1=CN=C(Br)S1 M10144006P [0,2,0,0,0,0|1,0,1]=4 154 B7R1.2 IC1=CC=C(Br)S1 M10206408P [0,2,0,0,0,0|1,0,0]=3 155 B7R1.2 NC1=CC(C)=NS1 M10184328P [0,2,0,0,0,0|1,0,1]=4 156 B7R1.2 NC1=CC=C(C)S1 M10282879P [0,2,0,0,0,0|1,0,0]=3 157 B7R1.2 NC1=CN(C)N=N1 M11004385P [0,2,0,0,0,0|2,0,0]=4 158 B7R1.2 NC1=CSC(Br)=N1 M10246711P [0,2,0,0,0,0|1,0,1]=4 159 B7R1.2 NC1=NC(C)=CO1 M10228028P [0,2,0,0,0,0|1,0,1]=4 160 B7R1.2 NC1=NC(N)=CS1 M10424794P [0,2,0,0,0,0|1,0,1]=4 161 B7R1.2 NC1=NC=C(C)O1 M10219349P [0,2,0,0,0,0|1,0,1]=4 162 B7R1.2 NC1=NN(C)C=N1 M10252599P [0,2,0,0,0,0|2,0,0]=4 163 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,2,0,0,0,0|1,0,0]=3 164 B7R1.2 O=C1NC(CC1)=O M10004579P [0,2,0,0,0,0|0,0,2]=4 165 B7R1.2 O=C1NCC(O1)=O M10040935P [0,2,0,0,0,0|1,0,1]=4 166 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,2,0,0,0,0|1,0,1]=4 167 B7R1.2 OC1=CC(C)=NN1 M10735473P [0,2,0,0,0,0|1,0,0]=3 168 B7R1.4 BrC1=C(Br)N=NN1 M10136045P [0,2,0,0,0,0|2,0,0]=4 169 B7R1.4 CC1=C(C)SC=C1 M11197216P [0,2,0,0,0,0|1,0,0]=3 170 B7R1.4 CC1=CCCC1=O M10027183P [0,2,0,0,0,0|1,0,1]=4 171 B7R1.4 CC1=CNN=C1C M10047993P [0,2,0,0,0,0|1,0,0]=3 172 B7R1.4 CC1=CNN=C1C M10830281P [0,2,0,0,0,0|1,0,0]=3 173 B7R1.4 CC1=NNC=C1I M10138633P [0,2,0,0,0,0|1,0,0]=3 174 B7R1.4 CN1C(Cl)=CN=C1 M10064184P [0,2,0,0,0,0|1,0,0]=3 175 B7R1.4 NC1=C(Br)C=NN1 M10142900P [0,2,0,0,0,0|1,0,0]=3 176 B7R1.4 NC1=C(C)ON=C1 M10520047P [0,2,0,0,0,0|1,0,1]=4 177 B7R1.4 NC1=CC=NN1C M10028700P [0,2,0,0,0,0|1,0,0]=3 178 B7R1.4 NC1=CN=CN1C M10098336P [0,2,0,0,0,0|1,0,0]=3 179 B7R1.4 NC1=NC=CN1C M10095148P [0,2,0,0,0,0|1,0,0]=3 180 B7R1.4 NC1=NNC=C1C M10407369P [0,2,0,0,0,0|1,0,0]=3 181 B7R1.4 NC1=NNC=C1Cl M10275881P [0,2,0,0,0,0|1,0,0]=3 182 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [0,2,0,0,0,0|1,0,0]=3 183 B3R1.1 N1CC1 M10005679P [0,0,0,0,2,0|0,0,2]=4 184 B3R1.1 O1NC1 M10654283P [0,0,0,0,2,0|1,0,1]=4 185 B7R1.24 C1=CC=CC=CC1 M10013742P [0,0,0,0,0,2|1,0,0]=3