0 B11R1.83 CCNC1=CC=C(CC)C=C1 BB01-8199 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 CNC1=CC=C(SC#N)C=C1 BB57-5237 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 CNCC1=CC=C(CN)C=C1 BB32-1980 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 COC1=CC=C(CNN)C=C1 BB55-6542 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.83 COC1=CC=C(\C=N/O)C=C1 BB01-7427 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.83 [C-]#[N+]C1=CC=C(OCC)C=C1 BB56-1768 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.1 CC1=CC=C(CON)C=C1 BB05-1789 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 CC1=CC=C(N=C=O)C=C1 BB01-6513 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 CCNC1=CC=C(Br)C=C1 BB31-7412 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 CCNC1=CC=C(F)C=C1 BB01-5251 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 CNCC1=CC=C(Br)C=C1 BB57-3005 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 CNCC1=CC=C(O)C=C1 BB05-4614 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.1 O=CNC1=CC=C(F)C=C1 BB01-7521 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.3 C=CC1=CC=C(CC)C=C1 BB01-8156 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.3 CCC1=CC=C(NN)C=C1 BB01-8045 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.3 COC1=CC=C(NN)C=C1 BB01-6100 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.3 COC1=NC=C(C=O)C=N1 BB54-4202 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [1,0,0,0,0,0|1,0,2]=4 23 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 BB55-6334 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 BB57-2956 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 BB54-5201 [0,1,0,0,0,0|0,0,2]=3 26 B12R1.5 CCC(=O)C1=CC=C(C#N)C=C1 BB54-5210 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 BB12-3362 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 BB12-3364 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 BB12-2994 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.71 C(=O)NCC1=CC=C(CC)C=C1 BB20-4803 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.71 COC1=CC=C(CCCN)C=C1 BB54-1986 [0,1,0,0,0,0|0,0,2]=3 33 B12R1.71 COC1=CC=C(NCCN)C=C1 BB55-6788 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.71 COC1=CC=C(OCCN)C=C1 BB54-1233 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.71 CSC1=CC=C(OCCN)C=C1 BB57-6447 [0,1,0,0,0,0|1,1,1]=4 36 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 BB05-0917 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.116 CCNC1=CC=C(OCC)C=C1 BB01-5250 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.116 [C-]#[N+]CC1=CC=C(OCC)C=C1 BB56-2765 [0,1,0,0,0,0|1,0,2]=4 39 B12R1.288 COC1=CC=C(N=C=O)C=C1Cl BB01-6578 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.288 COC1=CC=C(N=C=O)C=C1F BB01-6586 [0,1,0,0,0,0|2,0,1]=4 41 B12R2.44 COC1=CC=C2NC=NC2=C1 BB57-3664 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.44 NCC1=CC=C2C=CNC2=C1 BB53-1666 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.1 C=CCOC1=CC=C(O)C=C1 BB20-1078 [1,1,0,0,0,0|0,0,2]=4 47 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [1,1,0,0,0,0|0,0,2]=4 48 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.1 CC1=CC=C(OCCN)C=C1 BB54-2444 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 BB31-9516 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 BB57-2955 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 BB12-3477 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 BB57-6308 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.81 CC1=CC(C)=C(\C=N\O)C=C1 BB20-3236 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.81 CCOC1=C(N)C=C(C)C=C1 BB17-1893 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.192 CCNC1=CC(C)=C(C)C=C1 BB01-5258 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.3 CNC1=CC=C(N(C)C)C=C1 BB32-2491 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.3 COC1=CC=C(C(=N)N)C=C1 BB58-0024 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [1,1,0,0,0,0|0,0,1]=3 70 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BB54-0843 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 BB56-0919 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BB17-1449 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.279 COC1=CC(C)=C(CN)C=C1 BB55-8670 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.279 [C-]#[N+]C1=CC(Cl)=C(OC)C=C1 BB56-1215 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.5 CCC1=CC=C(NC(=O)CBr)C=C1 BB17-0234 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 BB31-3467 [0,2,0,0,0,0|0,0,2]=4 79 B13R1.5 COC1=CC=C(C\C(N)=N\O)C=C1 BB01-3934 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.35 COC1=CC=C(CC(=O)O)C=C1C BB56-0509 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.35 COC1=CC=C(NC(C)=O)C=C1N BB55-4804 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.142 CCOC1=CC=C(CC(=O)Cl)C=C1 BB01-8261 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB56-0010 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 BB01-7610 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.142 CNCC1=CC=C(NC(C)=O)C=C1 BB32-3596 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 BB12-1266 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 BB56-1063 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 BB57-0258 [0,2,0,0,0,0|1,0,1]=4 90 B13R1.39 COC1=CC=C(\C(C#N)=C/[O-])C=C1 BB10-0859 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.95 CCC(=O)C1=C(O)C=C(OC)C=C1 BB54-4799 [0,2,0,0,0,0|0,0,1]=3 92 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 BB55-1642 [0,2,0,0,0,0|0,0,2]=4 93 B13R1.139 CNCC1=CC=C(C(=O)NC)C=C1 BB12-2997 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.537 CCC(=O)C1=CC=C(N(C)C)C=C1 BB20-0388 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.3088 CCC(N)C1=CC(C)=C(OC)C=C1 BB58-0613 [0,2,0,0,0,0|0,0,2]=4 96 B13R1.3088 CNC(C)C1=CC(F)=C(OC)C=C1 BB53-1614 [0,2,0,0,0,0|1,0,1]=4 97 B13R1.3088 COC1=C(F)C=C(C(=O)CBr)C=C1 BB58-2052 [0,2,0,0,0,0|1,0,1]=4 98 B13R1.3088 COC1=C(F)C=C(C(=O)NN)C=C1 BB53-4196 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB54-1640 [0,2,0,0,0,0|0,0,1]=3 100 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 BB01-7607 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 BB58-0807 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BB55-5195 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.74 O=[N+]([O-])C1=CC=C(\C=C\CO)C=C1 BB57-4867 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.77 CCCC1=CC=C(OCCN)C=C1 BB57-6588 [0,2,0,0,0,0|0,0,2]=4 105 B13R1.371 C#CCNCC1=CC=C(OC)C=C1 BB54-5007 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.388 CCOC1=CC(N)=C(OCC)C=C1 BB57-4612 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB01-6273 [0,0,1,1,0,0|2,0,0]=4 108 B11R2.36 CC1=CC2=C(C=CN2)C=C1 BB01-7867 [1,0,0,1,0,0|1,0,0]=3 109 B11R2.36 CC1=CC=C2C=NNC2=C1 BB57-4110 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.36 CC1=CC=C2N=CNC2=C1 BB12-4747 [1,0,0,1,0,0|2,0,0]=4 111 B11R2.36 NC1=CC2=C(C=CN2)C=C1 BB54-3214 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.36 OC1=CC2=C(C=C1)N=CO2 BB54-5551 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.36 OC1=CC=C2NC=NC2=C1 BB57-3662 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.2121 CCC1=CC=C2NC(=O)CC2=C1 BB17-0213 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 BB57-3663 [0,1,0,1,0,0|1,0,0]=3 116 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 BB12-1347 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.2121 COC1=CC=C2SC(S)=NC2=C1 BB55-7897 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 BB12-2913 [0,1,0,1,0,0|1,0,1]=4 119 B13R2.57 COC1=CC2=C(C=C1)CNCC2 BB54-4395 [0,1,0,1,0,0|0,0,2]=4 120 B13R2.57 COC1=CC2=C(C=C1)NCCC2 BB54-0718 [0,1,0,1,0,0|0,0,2]=4 121 B13R2.669 CN1C=CC2=CC=C(C#N)C=C21 BB53-1351 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 BB31-4795 [0,1,0,1,0,0|2,0,0]=4