0 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.1 CCC1=CN=C(O)N=C1 BB12-3538 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 ClCC1=CC=C(Cl)N=C1 BB12-1167 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 N#CC1=CC=C(N)C=N1 BB01-7921 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.1 NNC1=CC=C(I)C=C1 BB56-2534 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.1 NNC1=CN=C(Cl)C=C1 BB12-1208 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 NNC1=NC=C(F)C=C1 BB12-1190 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 [C-]#[N+]C1=CC=C(Br)C=C1 BB56-0563 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 [C-]#[N+]C1=CC=C(Cl)C=C1 BB56-1817 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 [C-]#[N+]C1=CC=C(F)C=C1 BB56-1216 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 CC1=CN=C(C)N=C1 BB17-2149 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.3 CC1=CN=C(N)N=C1 BB12-3537 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 CC1=CN=C(O)N=C1 BB12-3539 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.3 FC1=CN=C(Cl)C=C1 BB12-1175 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.3 NC1=CN=C(Br)C=C1 BB20-4619 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.3 OC1=CC=C(Cl)N=N1 BB01-7649 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.3 OC1=NC=C(Br)C=N1 BB20-3334 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [0,1,0,0,0,0|2,1,0]=4 21 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.3 N#CC1=CC=C(NN)C=C1 BB56-0995 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.3 NCC1=CC=C(CO)C=C1 BB12-1471 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.3 [C-]#[N+]C1=CC=C(C#N)C=C1 BB56-0562 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.25 CC1=CC(Cl)=CC=C1NN BB56-0333 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.25 CC1=CC=C(NN)C(Br)=C1 BB56-0056 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.25 CC1=CC=C(NN)C(C)=C1 BB56-2530 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.25 CNC1=C(C)C=C(Cl)C=C1 BB01-7288 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.25 NCC1=CC=C(Br)C=C1F BB12-2272 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.25 NCC1=CC=C(O)C=C1O BB12-1397 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.25 NNC1=C(Br)C=C(Br)C=C1 BB56-0327 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.25 NNC1=CC=C(Br)C=C1Cl BB56-0788 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.25 NNC1=CC=C(Br)C=C1F BB56-0790 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.25 NNC1=CC=C(F)C=C1F BB56-2483 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 BB56-1846 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 BB56-1915 [0,1,0,0,0,0|1,0,2]=4 48 B10R1.25 O=CC1=C(O)C=C(F)C=C1 BB20-3279 [0,1,0,0,0,0|1,0,2]=4 49 B10R1.25 [C-]#[N+]C1=C(C)C=C(Br)C=C1 BB56-1773 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.25 [C-]#[N+]C1=C(C)C=C(Cl)C=C1 BB56-1818 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.25 [C-]#[N+]C1=C(F)C=C(Cl)C=C1 BB56-1763 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.25 [C-]#[N+]C1=CC=C(Cl)C=C1Cl BB56-1213 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.25 [C-]#[N+]C1=CC=C(F)C=C1F BB56-1681 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 BB12-1260 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.176 CC1=C(F)C=C(C=O)C=C1 BB12-2251 [0,1,0,0,0,0|1,0,2]=4 56 B10R1.176 CC1=CC(NN)=CC=C1Br BB56-0331 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.176 CC1=CC=C(NN)C=C1Cl BB56-0335 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.176 N#CC1=CC(N)=C(Cl)C=C1 BB20-4655 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.176 NNC1=CC=C(Cl)C(Cl)=C1 BB56-0055 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.176 O=C1C=C(CCl)OC=C1O BB26-0808 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [0,1,0,0,0,0|0,0,2]=3 63 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB12-4694 [0,1,0,0,0,0|1,0,2]=4 64 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(Cl)C=C1 BB56-1212 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.176 [C-]#[N+]C1=CC=C(C)C(Cl)=C1 BB56-1210 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 CC1=CSC(CO)=N1 BB12-3372 [0,0,0,0,1,0|3,0,0]=4 68 B8R1.1 CCC1=CC(O)=NN1 BB12-3505 [0,0,0,0,1,0|3,0,0]=4 69 B8R1.1 OCC1=CC=C(Br)O1 BB90-0114 [0,0,0,0,1,0|2,0,0]=3 70 B7R1.3 CC1=CC=NC=N1 BB17-0193 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.2 NC1=NC(CO)=CC=N1 BB12-1255 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.2 NNC1=CC(Br)=CC=C1 BB56-0176 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 NNC1=CC=CC(Cl)=C1 BB56-0328 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 NNC1=CC=CC(F)=C1 BB56-0065 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 [C-]#[N+]C1=CC=CC(Cl)=C1 BB56-1196 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 NCC1=CC=CN=C1N BB12-1525 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 NNC1=CC=CC=C1I BB56-0829 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.15 OCC1=CC=CN=C1Cl BB12-3681 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.15 [C-]#[N+]C1=C(I)C=CC=C1 BB56-0362 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.69 CC1=CC(=O)C(O)=CN1 BB26-0805 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.69 NC1=CC=C(F)C=C1N BB12-3004 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.69 NC1=CC=C(F)C=C1S BB17-0700 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.69 OC1=NC=C(I)C=C1I BB56-0642 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.1 BrCCOC1=CC=C(Br)C=C1 BB17-1661 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.1 CC1=CC=C(CNC#N)C=C1 BB12-1087 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.1 ClC1=CC=C(OCCBr)C=C1 BB17-1649 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.1 N#CNCC1=CC=C(Cl)C=C1 BB12-1085 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.1 N#CNCC1=CC=C(F)C=C1 BB12-1083 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.1 NCCSC1=CC=C(Cl)C=C1 BB56-2705 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB17-0633 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [0,2,0,0,0,0|1,1,0]=4 110 B11R1.20 FC(F)SC1=CC=C(Br)C=C1 BB53-1954 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.81 CC1=CC(C)=C(\C=N\O)C=C1 BB20-3236 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.81 CCNC1=CC=C(F)C=C1Cl BB01-7294 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.81 CCOC1=C(N)C=C(C)C=C1 BB17-1893 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.81 CCOC1=C(N)C=C(Cl)C=C1 BB17-1894 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.81 OCCC1=CN=C(O)N=C1O BB53-1345 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.83 [C-]#[N+]C1=CC=C(OCC)C=C1 BB56-1768 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.3 CC(C)C1=CC=C(NN)C=C1 BB56-1861 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.3 OCC1=CC=C(B(O)O)C=C1 BB12-2258 [0,2,0,0,0,0|0,0,0]=2 138 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 BB56-0919 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BB17-1449 [0,2,0,0,0,0|0,0,2]=4 140 B11R1.279 COC1=CNC(CCl)=CC1=O BB26-0379 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.279 COC1=CNC(CO)=CC1=O BB26-0375 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.279 COC1=COC(CCl)=CC1=O BB26-0376 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.279 COC1=COC(CO)=CC1=O BB26-0372 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.279 [C-]#[N+]C1=CC(Cl)=C(OC)C=C1 BB56-1215 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [0,2,0,0,0,0|0,0,2]=4 146 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 BB17-1112 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 BB53-1533 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [0,2,0,0,0,0|1,0,1]=4 149 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 BB56-0403 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.21 OB(O)C1=CC=C(F)C(Cl)=C1 BB01-0065 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [0,2,0,0,0,0|0,0,2]=4 152 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [0,2,0,0,0,0|1,0,1]=4 153 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [0,2,0,0,0,0|1,0,1]=4 155 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 BB12-2178 [0,2,0,0,0,0|1,0,1]=4 156 B11R1.464 CC1=CC(O)=CC(O)=C1C=O BB17-2252 [0,2,0,0,0,0|0,0,2]=4 157 B11R1.14 CCC1=CC(N)=C(O)C(Br)=C1 BB17-0378 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 BB12-2867 [0,2,0,0,0,0|0,0,2]=4 159 B11R1.14 O=CC1=CC(Br)=C(O)C(Cl)=C1 BB17-1454 [0,2,0,0,0,0|0,0,2]=4 160 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [0,2,0,0,0,0|0,0,0]=2 161 B11R2.36 NC1=CC2=NON=C2C=C1 BB01-4592 [0,1,0,1,0,0|2,0,0]=4 162 B11R2.36 NC1=CC=C2COCC2=C1 BB01-4521 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.1 OCC1=COC=C1 BB12-2281 [1,0,0,0,1,0|1,0,0]=3