0 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BB17-1060 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.286 CCOC1=CC(CO)=C(O)C=C1 BB17-1059 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.189 CCNC1=CC=CC(OC)=C1 BB32-1922 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.189 COC1=CC(CNN)=CC=C1 BB55-6524 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.192 CCNC1=CC(C)=C(C)C=C1 BB01-5258 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.192 NNCC1=CC(Cl)=C(Cl)C=C1 BB57-4065 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB05-0505 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.280 O=CC1=C(O)C=CC(CCl)=C1 BB57-7172 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.280 O=CC1=CC(CO)=CC=C1O BB55-7415 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,1,0,0,0,0|0,0,2]=3 13 B13R1.4030 COC1=CC(\C=N\O)=CC(N)=C1O BB54-5615 [0,1,0,0,0,0|2,0,1]=4 14 B13R2.449 NCCC1=CC2=C(C=C1)NC=C2 BB58-2999 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 BB12-2205 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.599 COC1=CC2=C(C=C1N)OCO2 BB54-3058 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.10 CC1=CC=CC(CCN)=N1 BB55-7666 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.10 NNCC1=CC(Cl)=CC=C1 BB57-4023 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.10 NNCC1=CC(F)=CC=C1 BB57-4011 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.172 COC1=CC(NN)=CC=C1 BB01-6124 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.172 NCC1=CC(CO)=CC=C1 BB57-3669 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 CC1=CC=C(CON)C=C1 BB05-1789 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 CNCC1=CC=C(O)C=C1 BB05-4614 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.1 NNCC1=CC=C(Cl)C=C1 BB57-4024 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.1 NNCC1=CC=C(F)C=C1 BB57-4012 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 CC1=C(Br)C=CC(CN)=C1 BB31-2860 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.176 CC1=CC(NN)=CC=C1Br BB56-0331 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.176 OCC1=CC(Br)=C(O)C=C1 BB55-8702 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.30 CCC1=C(O)C=CC(C)=N1 BB57-2944 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.382 COC1=CC(CNC=O)=CC=C1 BB20-4808 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.382 COC1=CC=CC(CCCN)=C1 BB58-0572 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.382 COC1=CC=CC(OCCN)=C1 BB55-4885 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB26-0152 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB58-1431 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 BB01-6358 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.367 CC1=CC=C(C(N)CO)C=C1C BB56-2162 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 BB05-3120 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.385 CC1=C(Cl)C=CC(OCCBr)=C1 BB17-1658 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 BB54-2242 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.385 NCCOC1=CC(Cl)=C(Cl)C=C1 BB55-4930 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 BB56-1820 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Br)=C1 BB12-2858 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB54-0100 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 BB05-0510 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O BB55-4305 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.300 COC1=CC(C#N)=CC(N)=C1O BB54-5593 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB54-5279 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 BB05-0508 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 BB17-1452 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BB55-0972 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.449 COC1=CC(C=O)=C(O)C=C1O BB57-5979 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 BB56-0073 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.1864 COC1=C(OC)C=C(C(=O)CN)C=C1 BB32-3056 [0,2,0,0,0,0|0,0,1]=3 62 B14R1.6787 CCOC1=C(OC)C=CC(CCN)=C1 BB54-4863 [0,2,0,0,0,0|0,0,0]=2 63 B14R1.793 C(=O)NCC1=CC(OC)=C(OC)C=C1 BB20-3389 [0,2,0,0,0,0|1,0,1]=4 64 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 BB58-0578 [0,2,0,0,0,0|0,0,0]=2 65 B14R1.793 [C-]#[N+]CCC1=CC=C(OC)C(OC)=C1 BB56-0009 [0,2,0,0,0,0|0,0,1]=3 66 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 BB54-3587 [0,2,0,0,0,0|1,0,0]=3 67 B12R2.44 COC1=CC=C2NC=NC2=C1 BB57-3664 [1,0,0,1,0,0|1,0,1]=4 68 B12R2.44 NCC1=CC=C2NCCC2=C1 BB55-7116 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.100 CC1=CC2=C(C=C1O)OCO2 BB58-0141 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.966 NC(CO)C1=CC2=C(C=C1)OCO2 BB56-2231 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.1008 N=C(N)NC1=CC=C2OCOC2=C1 BB57-3568 [0,1,0,1,0,0|1,0,1]=4 72 B14R2.112 CCNC1=CC2=C(C=C1)OCCO2 BB01-7306 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 BB54-2098 [0,1,0,1,0,0|1,0,0]=3 74 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 BB55-4920 [0,1,0,1,0,0|0,0,0]=2 75 B14R2.991 NCCOC1=CC=C2CCCC2=C1 BB55-4921 [0,1,0,1,0,0|2,0,0]=4