0 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [1,0,0,0,0,0|2,0,1]=4 2 B14R1.793 C(=O)NCC1=CC(OC)=C(OC)C=C1 BB20-3389 [0,1,0,0,0,0|1,0,0]=2 3 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 BB58-0578 [0,1,0,0,0,0|0,0,2]=3 4 B14R1.793 [C-]#[N+]CCC1=CC=C(OC)C(OC)=C1 BB56-0009 [0,1,0,0,0,0|0,0,2]=3 5 B14R1.1864 COC1=C(OC)C=C(C(=O)CN)C=C1 BB32-3056 [0,1,0,0,0,0|1,0,2]=4 6 B14R1.1864 COC1=C(OC)C=C(\C(N)=N\O)C=C1 BB54-5069 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.6787 CCOC1=C(OC)C=CC(CCN)=C1 BB54-4863 [0,1,0,0,0,0|1,0,1]=3 8 B14R2.112 CCNC1=CC2=C(C=C1)OCCO2 BB01-7306 [0,0,0,1,0,0|1,0,2]=4 9 B14R2.112 O=C=NC1=CC2=C(C=C1)OCCO2 BB01-4465 [0,0,0,1,0,0|2,0,1]=4 10 B14R2.112 O\N=C\C1=CC2=C(C=C1)OCCO2 BB20-3235 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.37 COC1=C(OC)C=C(I)C=C1 BB12-5007 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BB17-1449 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [2,0,0,0,0,0|1,0,0]=3 14 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB05-0505 [2,0,0,0,0,0|1,0,1]=4 17 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.189 COC1=CC(CNN)=CC=C1 BB55-6524 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.83 COC1=CC=C(CNN)C=C1 BB55-6542 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [2,0,0,0,0,0|1,0,1]=4 22 B13R1.355 CCOC1=C(OC)C=CC(CN)=C1 BB54-4757 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 BB55-0971 [1,1,0,0,0,0|1,0,0]=3 24 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 BB58-2901 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 BB01-6610 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 BB17-2298 [1,1,0,0,0,0|1,0,0]=3 27 B13R1.2200 COC1=C(OC)C=C(CCl)C(Br)=C1 BB58-1708 [1,1,0,0,0,0|1,0,0]=3 28 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC BB54-1282 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.35 COC1=CC=C(CC(=O)O)C=C1C BB56-0509 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.3088 CCC(N)C1=CC(C)=C(OC)C=C1 BB58-0613 [1,1,0,0,0,0|0,0,2]=4 31 B15R1.3769 COC1=C(OC)C=C(\C=C(/C)C=O)C=C1 BB17-2258 [0,2,0,0,0,0|0,0,1]=3 32 B15R1.3769 COC1=CC=C(C\C(N)=N\O)C=C1OC BB01-3930 [0,2,0,0,0,0|1,0,0]=3 33 B15R1.12140 CCOC1=CC=C(CCCN)C=C1OC BB54-1985 [0,2,0,0,0,0|0,0,2]=4 34 B15R1.12853 COC1=CC=C(C(N)C(=O)O)C=C1OC BB56-0183 [0,2,0,0,0,0|1,0,0]=3 35 B15R1.3705 CNCC1=CC(OC)=C(OC)C(OC)=C1 BB57-6383 [0,2,0,0,0,0|1,0,1]=4 36 B15R1.529 CCOC1=CC(CC(=O)O)=CC=C1OC BB56-1646 [0,2,0,0,0,0|1,0,0]=3 37 B15R1.9548 CCOC1=CC=C(CC(=O)O)C=C1OC BB56-1587 [0,2,0,0,0,0|1,0,0]=3 38 B15R1.9641 CCOC1=C(OCC)C=C(CCN)C=C1 BB54-0397 [0,2,0,0,0,0|1,0,1]=4 39 B13R2.57 C(=O)C1=CC2=C(C=C1)OCCO2 BB54-4268 [1,0,0,1,0,0|1,0,0]=3 40 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 BB58-4735 [1,0,0,1,0,0|1,0,1]=4 41 B13R2.57 N#CC1=CC=C2OCCOC2=C1 BB54-4462 [1,0,0,1,0,0|1,0,1]=4 42 B13R2.57 NNC1=CC=C2OCCOC2=C1 BB56-0053 [1,0,0,1,0,0|2,0,0]=4 43 B15R2.21574 COC1=C(OC)C=C2C(=O)OCC2=C1 BB01-4139 [0,1,0,1,0,0|1,0,0]=3 44 B15R2.4367 C=CCC1=CC2=C(OCO2)C(OC)=C1 BB54-3418 [0,1,0,1,0,0|0,0,0]=2 45 B15R2.4367 COC1=CC(CCN)=CC2=C1OCO2 BB54-5119 [0,1,0,1,0,0|1,0,1]=4 46 B15R2.4367 C\C=C\C1=CC2=C(OCO2)C(OC)=C1 BB54-3550 [0,1,0,1,0,0|0,0,2]=4 47 B15R3.4266 C1=NC2=C(C=C3OCCOC3=C2)N1 BB55-8727 [0,0,0,2,0,0|2,0,0]=4 48 B13R1.3911 CNCC1=CC=CC(OC)=C1OC BB57-7046 [0,0,0,0,1,1|1,0,1]=4 49 B13R1.3911 COC1=CC=CC(CCO)=C1OC BB57-6621 [0,0,0,0,1,1|1,0,1]=4