0 B11R1.83 COC1=CC=C(C=C1)\C=N\O M10057030P [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 COC1=CC=C(CCO)C=C1 M10018952P [0,0,0,0,0,0|1,0,1]=2 2 B11R1.83 N#CCC1=CC=C(C#C)C=C1 M10864374P [0,0,0,0,0,0|2,0,2]=4 3 B11R1.83 N#CCC1=CC=C(SC)C=C1 M10237544P [0,0,0,0,0,0|1,1,1]=3 4 B11R1.83 NNCC1=CC=C(OC)C=C1 M10038987P [0,0,0,0,0,0|2,0,0]=2 5 B11R1.83 NOCC1=CC=C(OC)C=C1 M10022423P [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 CC1=CC=C(C=C1)NCC M10016584P [1,0,0,0,0,0|1,0,2]=4 7 B10R1.1 CC1=CC=C(CCO)C=C1 M10018812P [1,0,0,0,0,0|1,0,1]=3 8 B10R1.1 CC1=CC=C(N=C=O)C=C1 M10016585P [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 ClC1=CC=C(CCBr)C=C1 M10092955P [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 ClCCC1=CC=C(Cl)C=C1 M10216722P [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 FC1=CC=C(CCN)C=C1 M10011223P [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 IC1=CC=C(CCO)C=C1 M10267797P [1,0,0,0,0,0|2,0,1]=4 13 B10R1.1 NC1=CC=C(CNC)C=C1 M10235151P [1,0,0,0,0,0|2,0,1]=4 14 B10R1.1 NCCC1=CC=C(Cl)C=C1 M10044604P [1,0,0,0,0,0|2,0,1]=4 15 B10R1.1 NNCC1=CC=C(F)C=C1 M10018815P [1,0,0,0,0,0|3,0,0]=4 16 B10R1.1 NOCC1=CC=C(Br)C=C1 M10243930P [1,0,0,0,0,0|3,0,0]=4 17 B10R1.1 NOCC1=CC=C(Cl)C=C1 M10238088P [1,0,0,0,0,0|3,0,0]=4 18 B10R1.1 NOCC1=CC=C(F)C=C1 M10036205P [1,0,0,0,0,0|3,0,0]=4 19 B10R1.1 OC1=CC=C(CCBr)C=C1 M10129025P [1,0,0,0,0,0|1,0,1]=3 20 B10R1.1 OC1=CC=C(COC)C=C1 M10072030P [1,0,0,0,0,0|1,0,1]=3 21 B10R1.3 CCC1=CC=C(CC)C=C1 M10003216P [1,0,0,0,0,0|1,0,1]=3 22 B10R1.3 CNC1=CC=C(OC)C=C1 M10082333P [1,0,0,0,0,0|1,0,1]=3 23 B10R1.3 COC1=CC=C([Mg]Br)C=C1 M10121065P [1,0,0,0,0,0|2,0,0]=3 24 B10R1.3 COC1=NN=C(CCl)C=C1 M10245251P [1,0,0,0,0,0|3,0,0]=4 25 B10R1.3 CSC1=CC=C(C=C1)CO M10054581P [1,0,0,0,0,0|1,1,0]=3 26 B10R1.3 CSC1=CC=C(CCl)C=C1 M10022361P [1,0,0,0,0,0|1,1,0]=3 27 B10R1.3 NCC1=CC=C(C=C)C=C1 M10253573P [1,0,0,0,0,0|2,0,0]=3 28 B10R1.3 O=CC1=CC=C(CO)C=C1 M10263036P [1,0,0,0,0,0|3,0,0]=4 29 B10R1.3 O=CC1=CN=C(OC)N=C1 M10600644P [1,0,0,0,0,0|3,0,0]=4 30 B10R1.3 OCC1=CC=C(C=C)C=C1 M10026270P [1,0,0,0,0,0|2,0,0]=3 31 B10R1.3 OCC1=CC=C(CBr)C=C1 M10444821P [1,0,0,0,0,0|3,0,0]=4 32 B10R1.3 OCC1=CC=C(CC)C=C1 M10020326P [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 OCC1=CC=C(CCl)C=C1 M10142971P [1,0,0,0,0,0|3,0,0]=4 34 B10R1.3 OCC1=CC=C(CN)C=C1 M10240961P [1,0,0,0,0,0|3,0,0]=4 35 B10R1.3 OCC1=NC=C(OC)C=C1 M10726704P [1,0,0,0,0,0|2,0,0]=3 36 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 M10076243P [0,1,0,0,0,0|3,0,0]=4 37 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 M10248610P [0,1,0,0,0,0|3,0,0]=4 38 B12R1.5 COC1=CC=C(C(CO)=O)C=C1 M10060351P [0,1,0,0,0,0|1,0,2]=4 39 B12R1.5 O=C(NN)C1=CC=C(OC)C=C1 M10053046P [0,1,0,0,0,0|2,0,1]=4 40 B12R1.71 O=CCCC1=CC=C(OC)C=C1 M10165707P [0,1,0,0,0,0|0,0,1]=2 41 B12R1.116 CCOC1=CC=C(OCC)C=C1 M10004529P [0,1,0,0,0,0|1,0,2]=4 42 B12R1.288 N#CCC1=CC=C(SC)C(Cl)=C1 M10087429P [0,1,0,0,0,0|1,1,1]=4 43 B12R2.44 COC1=CC=2NC=CC2C=N1 M10481119P [0,0,0,1,0,0|2,0,1]=4 44 B12R2.44 COC1=CN=C2NC=CC2=C1 M10810256P [0,0,0,1,0,0|2,0,0]=3 45 B12R2.44 COC1=NC=C2NC=CC2=C1 M10148478P [0,0,0,1,0,0|2,0,0]=3 46 B12R2.44 N#CC1=CC2=C(NC=C2)C=C1 M10138979P [0,0,0,1,0,0|3,0,0]=4 47 B12R2.44 N#CC1=CC=C2OC=CC2=C1 M10473823P [0,0,0,1,0,0|3,0,0]=4 48 B9R1.1 C=CC1=CN=C(C)C=C1 M10005326P [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 CC1=CC=C(C=C1)NC M10016620P [2,0,0,0,0,0|1,0,0]=3 50 B9R1.1 CC1=CC=C(C=C1)NC M10186142P [2,0,0,0,0,0|1,0,0]=3 51 B9R1.1 CC1=CC=C([Mg]Br)C=C1 M10061754P [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 CC1=CN=C(CCl)C=C1 M10020245P [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 CC1=NC=C(CBr)C=C1 M10944411P [2,0,0,0,0,0|2,0,0]=4 54 B9R1.1 CC1=NC=C(CCl)C=C1 M10664175P [2,0,0,0,0,0|2,0,0]=4 55 B9R1.1 CNC1=CC=C(Br)C=C1 M10097143P [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 COC1=CN=C(Br)C=C1 M10657138P [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 IC1=CN=C(OC)C=C1 M10124057P [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 NC1=CC=C(CN)C=C1 M10062858P [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 NC1=CC=C(CN)C=C1 M10278744P [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 NC1=CC=C(NC)C=C1 M10016621P [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 OC1=CC=C(N=O)C=C1 M10003202P [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 OC1=CC=C(NC)C=C1 M10005653P [2,0,0,0,0,0|1,0,1]=4 63 B9R1.1 OCC1=CC=C(C)N=C1 M10222716P [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 OCC1=CC=C(S)C=C1 M10270070P [2,0,0,0,0,0|1,1,0]=4 65 B9R1.1 SC1=CC=C(CC)C=C1 M10067515P [2,0,0,0,0,0|0,1,1]=4 66 B9R1.8 Br[Mg]CC1=CC=CC=C1 M10033223P [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 COCC1=CC=CC=C1 M10013562P [2,0,0,0,0,0|1,0,1]=4 68 B9R1.8 Cl[Mg]CC1=CC=CC=C1 M10097238P [2,0,0,0,0,0|2,0,0]=4 69 B9R1.8 NCCC1=CC=CC=C1 M10005773P [2,0,0,0,0,0|1,0,1]=4 70 B9R1.8 NNCC1=CC=CC=C1 M10014053P [2,0,0,0,0,0|2,0,0]=4 71 B9R1.8 NOCC1=CC=CC=C1 M10016568P [2,0,0,0,0,0|2,0,0]=4 72 B9R1.8 NOCC1=CC=CC=C1 M10046733P [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 ONCC1=CC=CC=C1 M10016566P [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 SCCC1=CC=CC=C1 M10062928P [2,0,0,0,0,0|1,0,1]=4 75 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 M10114263P [2,0,0,0,0,0|1,0,1]=4 76 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 M10185947P [1,1,0,0,0,0|1,0,1]=4 77 B11R1.1 OC1=CC=C(CCNC)C=C1 M10120289P [1,1,0,0,0,0|0,0,2]=4 78 B11R1.1 OC1=CC=C(OCCC)C=C1 M10158296P [1,1,0,0,0,0|0,0,2]=4 79 B11R1.1 OCCCC1=CC=C(O)C=C1 M10113021P [1,1,0,0,0,0|0,0,2]=4 80 B11R1.20 CC(CC1=CC=C(Br)C=C1)=O M10084753P [1,1,0,0,0,0|1,0,1]=4 81 B11R1.20 CC(CC1=CC=C(C)C=C1)=O M10039930P [1,1,0,0,0,0|0,0,1]=3 82 B11R1.20 CC(CC1=CC=C(Cl)C=C1)=O M10077945P [1,1,0,0,0,0|1,0,1]=4 83 B11R1.20 CC(NC1=CC=C(C)C=C1)=O M10003112P [1,1,0,0,0,0|1,0,1]=4 84 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 M10011219P [1,1,0,0,0,0|2,0,0]=4 85 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 M10037449P [1,1,0,0,0,0|2,0,0]=4 86 B11R1.3 CC(C1=CC=C(CN)C=C1)=O M10420293P [1,1,0,0,0,0|2,0,0]=4 87 B11R1.3 COC1=CC=C(C(C)C)C=C1 M10060325P [1,1,0,0,0,0|0,0,1]=3 88 B11R1.3 NCC1=CC=C(C(C)C)C=C1 M10062782P [1,1,0,0,0,0|2,0,0]=4 89 B11R1.3 O=CC1=CC=C(C(C)=O)C=C1 M10054651P [1,1,0,0,0,0|2,0,0]=4 90 B11R1.3 O=CC1=CC=C(N(C)C)C=C1 M10002781P [1,1,0,0,0,0|2,0,0]=4 91 B11R1.279 CC1=CC(OC)=CC=C1OC M10185655P [1,1,0,0,0,0|1,0,1]=4 92 B11R1.279 COC1=CC=C(OC)C(F)=C1 M10489141P [1,1,0,0,0,0|1,0,1]=4 93 B11R1.279 CSC1=CC=C(CCl)C=C1Cl M10671424P [1,1,0,0,0,0|1,1,0]=4 94 B11R1.279 NCC1=CC=C(OC)C(Cl)=C1 M10697927P [1,1,0,0,0,0|1,0,0]=3 95 B11R1.279 O=CC1=CC=C(OC)C(I)=C1 M10042450P [1,1,0,0,0,0|1,0,0]=3 96 B11R1.279 O=CC1=CC=C(OC)C=C1Cl M10276640P [1,1,0,0,0,0|1,0,0]=3 97 B11R1.279 OC1=CC(OC)=CC=C1OC M10153449P [1,1,0,0,0,0|1,0,1]=4 98 B11R1.279 OCC1=CC=C(OC)C(N)=C1 M10691714P [1,1,0,0,0,0|1,0,0]=3 99 B11R1.279 OCC1=CC=C(OC)C(O)=C1 M10062623P [1,1,0,0,0,0|1,0,0]=3 100 B13R1.5 OCC(N)CC1=CC=C(OC)C=C1 M10804979P [0,2,0,0,0,0|0,0,2]=4 101 B13R1.35 CC(NC1=CC=C(OC)C(N)=C1)=O M10091267P [0,2,0,0,0,0|1,0,1]=4 102 B13R1.35 O=C(O)CC1=CC=C(SC)C(Cl)=C1 M10516826P [0,2,0,0,0,0|1,1,0]=4 103 B13R1.142 O=C(O)CC1=CC=C(OCC)C=C1 M10067280P [0,2,0,0,0,0|1,0,0]=3 104 B13R1.39 COC1=CC=C(C(OC)OC)C=C1 M10040951P [0,2,0,0,0,0|1,0,1]=4 105 B13R1.452 CCCC(C1=CC=C(OC)C=C1)=O M10060556P [0,2,0,0,0,0|0,0,2]=4 106 B13R1.577 COC1=CC=C(NCCO)C=C1N M10493228P [0,2,0,0,0,0|1,0,1]=4 107 B13R1.386 C\C=C\C1=CC=C(OC)C(OC)=C1 M10002203P [0,2,0,0,0,0|0,0,2]=4 108 B11R2.36 CC1=CC2=C(NC=C2)C=N1 M11124221P [1,0,0,1,0,0|2,0,0]=4 109 B11R2.36 CC1=CC2=C(NN=C2)C=C1 M10036113P [1,0,0,1,0,0|2,0,0]=4 110 B11R2.36 CC1=CC=C2NC=NC2=C1 M10016132P [1,0,0,1,0,0|2,0,0]=4 111 B11R2.36 ClC1=CC2=C(NC=C2)C=C1 M10149485P [1,0,0,1,0,0|2,0,0]=4 112 B11R2.36 FC1=CC=C2C(C=CS2)=C1 M10437074P [1,0,0,1,0,0|2,0,0]=4 113 B11R2.36 OC1=CC2=C(CCC2)C=C1 M10031294P [1,0,0,1,0,0|0,0,2]=4 114 B11R2.36 OC1=CC2=C(NC=C2)C=C1 M10038351P [1,0,0,1,0,0|1,0,0]=3 115 B11R2.36 OC1=CC=C2NC=NC2=C1 M10245458P [1,0,0,1,0,0|2,0,0]=4 116 B11R2.190 C=CC1=CC=C2CCC2=C1 M10638336P [1,0,0,1,0,0|1,0,0]=3 117 B11R2.190 O=CC1=CC=C2CCC2=C1 M10685841P [1,0,0,1,0,0|2,0,0]=4 118 B11R2.190 OCC1=CC=C2C=CC2=C1 M10268668P [1,0,0,1,0,0|2,0,0]=4 119 B13R2.2121 CC=1NC2=C(C1)C=C(C=C2)OC M10026359P [0,1,0,1,0,0|1,0,0]=3 120 B13R2.2121 COC1=CC=C2N=C(Br)SC2=C1 M10049336P [0,1,0,1,0,0|2,0,0]=4 121 B13R2.2121 COC1=CC=C2NC(Cl)=NC2=C1 M10139703P [0,1,0,1,0,0|2,0,0]=4 122 B13R2.2121 COC1=CC=C2SC(Br)=NC2=C1 M10836070P [0,1,0,1,0,0|2,0,0]=4 123 B13R2.2121 NC1=NC2=CC(OC)=CC=C2S1 M10276110P [0,1,0,1,0,0|2,0,0]=4 124 B13R2.2121 O=C1NC2=C(C=C(OC)C=C2)C1 M10109854P [0,1,0,1,0,0|1,0,1]=4 125 B13R2.57 COC1=CC=C2N=CC=NC2=C1 M10094930P [0,1,0,1,0,0|1,0,0]=3 126 B13R2.669 COC1=CC2=C(NC=C2Br)C=N1 M10112385P [0,1,0,1,0,0|2,0,0]=4 127 B13R2.669 COC1=CN=C2NC=C(Br)C2=C1 M10097374P [0,1,0,1,0,0|2,0,0]=4 128 B13R2.654 CC1=CC(OC)=CC2=C1NC=C2 M10318987P [0,1,0,1,0,0|1,0,0]=3 129 B13R2.654 COC1=CC2=C(C(Br)=C1)C=CN2 M10871873P [0,1,0,1,0,0|1,0,1]=4 130 B13R2.449 CCOC1=CC2=C(C=C1)C=CN2 M10234691P [0,1,0,1,0,0|1,0,1]=4 131 B13R2.449 ClCCC1=CC=C2OCCC2=C1 M10085877P [0,1,0,1,0,0|1,0,1]=4 132 B13R2.449 N#CCC1=CC=C2OCOC2=C1 M11191989P [0,1,0,1,0,0|1,0,1]=4 133 B13R2.449 NCCC1=CC=C2OCOC2=C1 M10031526P [0,1,0,1,0,0|1,0,1]=4 134 B13R2.449 OCCC1=CC=C2OCCC2=C1 M10516827P [0,1,0,1,0,0|1,0,1]=4 135 B13R2.599 CC1=CC2=C(NC=C2)C=C1OC M10098635P [0,1,0,1,0,0|1,0,1]=4 136 B9R1.7 C=CC[N+]1=CN(C)C=C1 M10409476P [1,0,0,0,1,0|2,0,0]=4