0 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BB17-1060 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.286 CCOC1=CC(CO)=C(O)C=C1 BB17-1059 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.189 CCNC1=CC=CC(OC)=C1 BB32-1922 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC(CNN)=CC=C1 BB55-6524 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.192 CCNC1=CC(C)=C(C)C=C1 BB01-5258 [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|2,0,1]=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|1,0,1]=3 9 B13R1.49 COC(=O)C1=CC(CN)=C(O)C=C1 BB57-5719 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.4030 COC1=CC(\C=N\O)=CC(N)=C1O BB54-5615 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 BB12-2205 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.10 CC1=CC(\C=N\O)=CC=C1 BB20-3238 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.172 COC1=CC(NN)=CC=C1 BB01-6124 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.1 CNCC1=CC=C(O)C=C1 BB05-4614 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.30 CCC1=C(O)C=CC(C)=N1 BB57-2944 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.382 COC1=CC(CNC=O)=CC=C1 BB20-4808 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.382 COC1=CC=CC(CCCN)=C1 BB58-0572 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.382 COC1=CC=CC(OCCN)=C1 BB55-4885 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB26-0152 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB58-1431 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 BB01-6358 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 BB57-6932 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 BB55-4942 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O BB57-6482 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 BB56-1820 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Br)=C1 BB12-2858 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB54-0100 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 BB05-0510 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O BB55-4305 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.300 COC1=CC(C#N)=CC(N)=C1O BB54-5593 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB54-5279 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 BB05-0508 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 BB17-1452 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BB55-0972 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.449 COC1=CC(C=O)=C(O)C=C1O BB57-5979 [1,1,0,0,0,0|1,0,0]=3 45 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 46 B14R1.358 COC(=O)C1=CC(OC)=C(O)C(N)=C1 BB57-6472 [0,2,0,0,0,0|1,0,0]=3 47 B14R1.436 CCCC1=C(O)C=CC(C(=O)OC)=C1 BB57-7109 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.626 CCOC(=O)C1=CC=C(O)C(NC)=C1 BB57-7111 [0,2,0,0,0,0|1,0,1]=4 49 B14R1.1864 COC1=C(OC)C=C(C(=O)CN)C=C1 BB32-3056 [0,2,0,0,0,0|1,0,1]=4 50 B14R1.1864 COC1=C(OC)C=C(\C(N)=N\O)C=C1 BB54-5069 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.793 C(=O)NCC1=CC(OC)=C(OC)C=C1 BB20-3389 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 BB58-0578 [0,2,0,0,0,0|0,0,2]=4 53 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 BB54-3587 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O BB12-2811 [0,2,0,0,0,0|0,0,1]=3 55 B12R2.44 COC1=CC=C2NC=NC2=C1 BB57-3664 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.315 COC1=CC=CC2=C1C=CN2 BB01-7869 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.1008 N=C(N)NC1=CC=C2OCOC2=C1 BB57-3568 [0,1,0,1,0,0|2,0,0]=4 58 B14R2.112 CCNC1=CC2=C(C=C1)OCCO2 BB01-7306 [0,1,0,1,0,0|1,0,1]=4 59 B14R2.112 O\N=C\C1=CC2=C(C=C1)OCCO2 BB20-3235 [0,1,0,1,0,0|2,0,0]=4 60 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 BB54-2098 [0,1,0,1,0,0|0,0,2]=4 61 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 BB55-4920 [0,1,0,1,0,0|1,0,1]=4