0 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB_SC-04015 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 BB_SC-06789 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.78 COC1=CC=C(C=O)C=C1OC BB_NC-02052 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.78 COC1=CC=C(CO)C=C1OC BB_SC-09385 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.279 COC1=C(O)C=C(C=O)C=C1 BB_NC-02245 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB_SC-12404 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.280 COC1=CC(C=O)=CC=C1O BB_NC-02264 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.280 COC1=CC(CO)=CC=C1O BB_NC-02797 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.99 COC1=CC=C(C(C)=O)C(OC)=C1 BB_SC-09384 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 BB_NC-00711 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.386 CC=CC1=CC=C(OC)C(OC)=C1 BB_NC-00656 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB_SC-12415 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 BB_SC-02804 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.3091 COC1=CC=C(C(=O)Cl)C=C1OC BB_SC-03122 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.3091 COC1=CC=C(C(C)=O)C=C1OC BB_SC-12397 [0,1,0,0,0,0|0,0,0]=1 15 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 BB_SC-00693 [0,0,0,1,0,0|0,0,0]=1 16 B10R1.20 COC1=CC=CC=C1CN BB_SC-06448 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.25 COC1=CC=C(N)C=C1Cl BB_SC-11214 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.3 COC1=CC=C(C=O)C=C1 BB_NC-02206 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.3 COC1=CC=C(CN)C=C1 BB_NC-02172 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.3 COC1=CC=C(CO)C=C1 BB_NC-02176 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.3 COC1=CC=C(NN)C=C1 BB_SC-09378 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.3 CSC1=CC=C(C=O)C=C1 BB_SC-11238 [2,0,0,0,0,0|0,1,0]=3 23 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 BB_SC-04600 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BB_NC-02317 [2,0,0,0,0,0|0,0,0]=2 25 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 BB_SC-04540 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB_SC-04543 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.57 COC1=CC(F)=CC=C1C(C)=O BB_SC-04593 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=N1 BB_SC-07322 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB_SC-02684 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.48 COC1=CC=C(C(=O)O)C=C1N BB_SC-04636 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.48 COC1=CC=C(C(=O)O)C=C1O BB_NC-02259 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BB_NC-03234 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB_NC-03101 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.288 C=CCC1=CC(O)=C(OC)C=C1 BB_NC-00478 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.288 CCCC1=CC(O)=C(OC)C=C1 BB_NC-00502 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-07114 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BB_NC-02254 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BB_NC-02250 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.270 CCOC1=CC(C=O)=CC=C1O BB_NC-02247 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 BB_NC-00470 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB_SC-01456 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB_SC-05967 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 BB_SC-02885 [0,2,0,0,0,0|1,0,1]=4 45 B14R1.1864 CCC(=O)C1=CC=C(OC)C(OC)=C1 BB_NC-00335 [0,2,0,0,0,0|0,0,0]=2 46 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 BB_SC-01998 [0,2,0,0,0,0|0,0,0]=2 47 B14R1.1864 COC1=C(OC)C=C(\C(N)=N\O)C=C1 BB_SC-12260 [0,2,0,0,0,0|0,0,1]=3 48 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC BB_NC-02258 [0,2,0,0,0,0|0,0,0]=2 49 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC BB_SC-06574 [0,2,0,0,0,0|0,0,0]=2 50 B14R1.576 COC1=CC(CO)=CC(OC)=C1OC BB_NC-03356 [0,2,0,0,0,0|0,0,2]=4 51 B14R1.101 COC1=C(OC(C)C)C=CC(C=O)=C1 BB_NC-02441 [0,2,0,0,0,0|0,0,0]=2 52 B14R1.101 COC1=C(OC(C)C)C=CC(CN)=C1 BB_NC-02447 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.101 COC1=C(OC(F)F)C=CC(C=O)=C1 BB_SC-04029 [0,2,0,0,0,0|0,0,0]=2 54 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC BB_SC-03255 [0,2,0,0,0,0|0,0,0]=2 55 B14R1.2282 COC1=CC(C=O)=C(OC)C=C1OC BB_SC-01446 [0,2,0,0,0,0|0,0,0]=2 56 B14R1.2310 COC1=C(OC)C(OC)=C(C=O)C=C1 BB_SC-04602 [0,2,0,0,0,0|0,0,0]=2 57 B12R2.24 NC1=CC=C2OCCOC2=C1 BB_SC-05353 [1,0,0,1,0,0|1,0,0]=3 58 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB_SC-02862 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 BB_SC-02400 [1,0,0,1,0,0|0,0,0]=2 60 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BB_NC-01744 [1,0,0,1,0,0|0,0,2]=4 61 B14R2.1801 CN1CCCC2=CC(C=O)=CC=C21 BB_SC-01553 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.1101 COC1=CC(C=O)=CC2=C1OCO2 BB_NC-02874 [0,1,0,1,0,0|0,0,0]=2 63 B12R1.1879 COC1=C(OC)C(CCl)=NC=C1 BB_SC-02786 [0,0,0,0,1,1|1,0,1]=4 64 B12R1.1879 COC1=C(OC)C(CN)=NC=C1 BB_SC-12356 [0,0,0,0,1,1|1,0,1]=4 65 B12R1.1879 COC1=C(OC)C(CO)=CC=C1 BB_NC-02169 [0,0,0,0,1,1|0,0,2]=4 66 B12R1.1879 COC1=CC=CC(C=O)=C1OC BB_SC-01445 [0,0,0,0,1,1|0,0,0]=2 67 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 BB_SC-02800 [0,0,0,0,1,1|0,0,0]=2