0 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 BB05-0511 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.270 CCOC1=C(O)C=CC(CN)=C1 BB54-4742 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.182 CCNC1=C(O)C=CC(C)=C1 BB57-5463 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.182 CCNC1=CC(C)=CC=C1C BB01-7293 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.189 CCNC1=CC=CC(OC)=C1 BB32-1922 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.280 CC1=C(C#N)C=C(C=O)C=C1 BB12-1259 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB05-0505 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 BB12-3557 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.354 CCCC1=C(O)C=CC(C(=O)O)=C1 BB57-5840 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.355 CCNC1=CC(OC)=CC=C1OC BB01-8192 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.355 CCOC1=C(OC)C=CC(CN)=C1 BB54-4757 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.2431 CCC(=O)C1=CC(OC)=CC=C1O BB54-4718 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 BB05-0514 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.2900 CCOC1=C(O)C=C(Br)C(C=O)=C1 BB05-0513 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.2900 CCOC1=CC(C=O)=C(Br)C=C1O BB55-0973 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O BB54-0278 [0,1,0,0,0,0|0,0,0]=1 18 B13R2.57 C(=O)C1=CC2=C(C=C1)OCCO2 BB54-4268 [0,0,0,1,0,0|0,0,0]=1 19 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 BB58-4735 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.57 N#CC1=CC=C2OCCOC2=C1 BB54-4462 [0,0,0,1,0,0|1,0,1]=3 21 B13R2.57 NNC1=CC=C2OCCOC2=C1 BB56-0053 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.2121 CC1CC2=CC(C#N)=CC=C2O1 BB54-4485 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.2121 CC1CC2=CC(C=O)=CC=C2O1 BB58-4721 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.185 CCCC1=C(Br)C=C(C=O)S1 BB05-3206 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.4 CCOC1=C(N)N=CC=C1 BB54-3639 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.4 CCOC1=NC=CC=C1N BB32-2785 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.30 CCC1=C(N)C=CC(I)=C1 BB17-0313 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.30 CCC1=C(O)C=CC(C)=N1 BB57-2944 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.172 CCC1=NC=CC(C=O)=N1 BB58-0533 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.172 COC1=CC(NN)=CC=C1 BB01-6124 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 BB12-1260 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.176 CC1=C(F)C=C(C=O)C=C1 BB12-2251 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB12-4694 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.374 CC1=CC(OCCBr)=C(C)C=C1 BB17-1655 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.374 CC1=CC(OCCN)=C(C)C=C1 BB54-2453 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 BB55-4946 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.374 NCCOC1=C(Cl)C=CC(Cl)=C1 BB55-4931 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.279 CCCC1=NC=CC(C(=O)O)=C1 BB57-6484 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.279 CCOC1=CC(C(=O)Cl)=CC=C1 BB55-5558 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.279 CCOC1=CC=CC(C(C)N)=C1 BB55-1644 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BB17-1060 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.286 CCOC1=CC(CO)=C(O)C=C1 BB17-1059 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.382 CCCOC1=CC=CC(C=O)=C1 BB05-0093 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.382 COC1=CC=CC(OCCN)=C1 BB55-4885 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.435 CNC(=O)C1=CC=CC(C=O)=C1 BB17-2997 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 BB54-2084 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.438 CN(C)CC1=CC(C=O)=CC=C1 BB55-8248 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.56 CCC1=CC(C(=O)O)=CC=C1F BB58-4734 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O BB57-6482 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 BB12-4663 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.56 NCC1=C(O)C=CC(C(=O)O)=C1 BB57-4979 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.56 O=[N+]([O-])C1=CC=C(O)C(CCl)=C1 BB12-1837 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Br)=C1 BB12-2858 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB54-0100 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 BB05-0510 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O BB55-4305 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.300 COC1=CC(C#N)=CC(N)=C1O BB54-5593 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB54-5279 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 BB05-0508 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 BB17-1452 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BB55-0972 [1,1,0,0,0,0|0,0,0]=2 65 B12R1.449 COC1=CC(C=O)=C(O)C=C1O BB57-5979 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.3723 COC1=C(CN(C)C)C=C(C=O)C=C1 BB56-1556 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.436 CCCC1=C(O)C=CC(C(=O)OC)=C1 BB57-7109 [0,2,0,0,0,0|1,0,0]=3 68 B14R1.441 COCC1=C(OC)C=CC(C(=O)O)=C1 BB55-3454 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.759 C#CCOC1=C(OC)C=CC(C=O)=C1 BB17-1445 [0,2,0,0,0,0|0,0,1]=3 70 B14R1.759 CCOCC1=CC(C=O)=CC=C1OC BB05-0899 [0,2,0,0,0,0|0,0,0]=2 71 B14R1.759 CCOCC1=CC(C=O)=CC=C1OC BB12-2102 [0,2,0,0,0,0|0,0,0]=2 72 B14R1.5236 CCOC1=CC=C(CN)C=C1OCC BB01-6395 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.5317 CCOC1=C(OC)C(Br)=CC(C=O)=C1 BB05-0587 [0,2,0,0,0,0|0,0,0]=2 74 B14R1.5317 CCOC1=C(OC)C(I)=CC(C=O)=C1 BB05-0690 [0,2,0,0,0,0|0,0,0]=2 75 B14R1.5317 CCOC1=C(OC)C(I)=CC(C=O)=C1 BB17-1568 [0,2,0,0,0,0|0,0,0]=2 76 B14R1.5317 CCOC1=CC(C=O)=CC(Cl)=C1OC BB05-0566 [0,2,0,0,0,0|0,0,0]=2 77 B14R1.5317 CCOC1=CC(C=O)=CC(Cl)=C1OC BB17-1176 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.5317 CCOC1=CC(CO)=CC(Br)=C1OC BB17-1801 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.6787 CCOC1=C(OC)C=CC(CCN)=C1 BB54-4863 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.15069 CCOC1=C(OC)C=C(Br)C(C=O)=C1 BB05-0631 [0,2,0,0,0,0|0,0,0]=2 81 B14R1.15069 CCOC1=CC(C#N)=C(Br)C=C1OC BB55-4307 [0,2,0,0,0,0|1,0,1]=4 82 B14R1.15069 CCOC1=CC(C=O)=C(Br)C=C1OC BB55-0960 [0,2,0,0,0,0|0,0,0]=2 83 B14R1.3228 CCOC1=C(O)C(Br)=C(Br)C(C#N)=C1 BB05-0515 [0,2,0,0,0,0|1,0,1]=4 84 B14R1.3228 CCOC1=C(O)C(Br)=C(Br)C(C=O)=C1 BB17-1586 [0,2,0,0,0,0|0,0,0]=2 85 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 BB54-4288 [1,0,0,1,0,0|1,0,0]=3 86 B14R2.134 O=CC1=CC2=C(C=C1)OCC(=O)N2 BB57-6450 [0,1,0,1,0,0|1,0,1]=4 87 B14R2.3303 CC1(C)CC2=C(C=CC(C=O)=C2)O1 BB12-1767 [0,1,0,1,0,0|1,0,0]=3 88 B14R2.601 CC1=CC2=CC(C(=O)O)=CC=C2O1 BB12-1983 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.601 CC1CC2=CC(C(=O)O)=CC=C2O1 BB57-6404 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 BB54-4223 [0,1,0,1,0,0|0,0,0]=2 91 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 BB01-5772 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.781 O=C(Cl)C1=CC=C2OCCOC2=C1 BB55-5711 [0,1,0,1,0,0|0,0,0]=2 93 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 BB31-6652 [0,1,0,1,0,0|1,0,0]=3 94 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCC2 BB54-3388 [0,1,0,1,0,0|1,0,0]=3 95 B14R2.781 OB(O)C1=CC=C2OCCOC2=C1 BB54-4044 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 BB05-4265 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.2400 O=CC1=CC2=C(C=C1)OCCCO2 BB57-3912 [0,1,0,1,0,0|0,0,0]=2 98 B14R2.2400 O=CC1=CC=C2OCCNCC2=C1 BB57-1293 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.112 CCNC1=CC2=C(C=C1)OCCO2 BB01-7306 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.112 O=C=NC1=CC2=C(C=C1)OCCO2 BB01-4465 [0,1,0,1,0,0|0,0,1]=3 101 B14R2.112 O\N=C\C1=CC2=C(C=C1)OCCO2 BB20-3235 [0,1,0,1,0,0|0,0,1]=3 102 B14R2.1128 CC1=CC2=C(C=C1CN)OCCO2 BB54-3387 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.35 CCC1=C(Br)C=C(C=O)S1 BB05-0498 [1,0,0,0,1,0|2,0,0]=4