0 B9R1.2 CC1=CC=CC(CCl)=C1 BB_SC-07069 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.2 CC1=CC=CC(NN)=C1 BB_SC-06209 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [1,0,0,0,0,0|1,1,0]=3 5 B9R1.2 ClCC1=CC(Cl)=CC=C1 BB_SC-06965 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 ClCC1=CC=CC(Br)=C1 BB_SC-09626 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 NCC1=CC(Cl)=CC=C1 BB_SC-04584 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 NCC1=CC(F)=CC=C1 BB_SC-04586 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 NCC1=CC(N)=CC=C1 BB_SC-08894 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 NNC1=CC=CC(F)=C1 BB_SC-06249 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.9 COC1=CC(OC)=NC(N)=N1 BB_SC-08193 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.189 COC1=CC(N=C=S)=CC=C1 BB_SC-01849 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.189 CSC1=CC(N=C=S)=CC=C1 BB_SC-01833 [0,1,0,0,0,0|1,1,1]=4 15 B11R1.266 COC1=CC(C(C)=O)=CC=C1 BB_SC-06240 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB_SC-04908 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.267 COC1=CC=CC(C=O)=C1O BB_NC-00156 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB_SC-12404 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB_SC-04549 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB_SC-09407 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.280 COC1=CC(C=O)=CC=C1O BB_NC-02264 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.280 COC1=CC(CO)=CC=C1O BB_NC-02797 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.21 COC1C=CC(OC)O1 BB_SC-06551 [0,0,0,0,1,0|1,0,2]=4 24 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.4 CC1=CC=CC(C)=N1 BB_SC-06945 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.4 CC1=CC=CC(N)=N1 BB_SC-06591 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 CC1=CC=NC(C)=C1 BB_SC-06947 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.4 NC1=CC(S)=CC=C1 BB_SC-04635 [2,0,0,0,0,0|1,1,0]=4 31 B8R1.4 [O-][N+]1=CC=CC(O)=C1 BB_SC-05501 [2,0,0,0,0,0|1,0,1]=4 32 B10R0.59 COC(=O)\C=C\CC(=O)OC BB_SC-07228 [0,1,1,0,0,0|1,0,1]=4 33 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BB_SC-06839 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.176 COC1=NN(C)C(=O)C=C1 BB_SC-09954 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BB_NC-02317 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 BB_SC-02800 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB_SC-01456 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB_SC-05967 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.270 CCOC1=CC(C=O)=CC=C1O BB_NC-02247 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.280 CNCC1=CC=CC(OC)=C1O BB_NC-03314 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 BB_NC-00470 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.382 O=CC1=CC=CC(OCCBr)=C1 BB_SC-04905 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 BB_SC-04030 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.435 COC(=O)C1=CC=CC(OC)=C1 BB_SC-02898 [0,2,0,0,0,0|0,0,0]=2 51 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB_SC-11037 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.435 COC1=CC=CC(\C(N)=N\O)=C1 BB_SC-12256 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 BB_SC-08511 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 BB_SC-10974 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.438 O=CC1=CC=CC(OC(F)F)=C1 BB_SC-04553 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-07114 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BB_NC-02254 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BB_NC-02250 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.440 COC1=C(O)C(C(=O)O)=CC=C1 BB_NC-02251 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 BB_SC-00029 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 BB_SC-07209 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 BB_NC-02804 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.1879 COC1=C(OC)C(CO)=CC=C1 BB_NC-02169 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.1879 COC1=CC=CC(C=O)=C1OC BB_SC-01445 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 BB_SC-06789 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.78 COC1=CC=C(C=O)C=C1OC BB_NC-02052 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.78 COC1=CC=C(CO)C=C1OC BB_SC-09385 [0,2,0,0,0,0|2,0,0]=4 68 B12R2.44 COC1=CC2=C(C=C1)NC=C2 BB_NC-01198 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB_SC-02862 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 BB_SC-02400 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BB_NC-01744 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.315 COC1=CC=CC2=C1C=CN2 BB_NC-02162 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.3 COC1=CC=C(C=O)C=C1 BB_NC-02206 [0,0,0,0,1,1|2,0,0]=4 74 B10R1.3 COC1=CC=C(CN)C=C1 BB_NC-02172 [0,0,0,0,1,1|2,0,0]=4 75 B10R1.3 COC1=CC=C(CO)C=C1 BB_NC-02176 [0,0,0,0,1,1|2,0,0]=4 76 B10R1.3 COC1=CC=C(NN)C=C1 BB_SC-09378 [0,0,0,0,1,1|2,0,0]=4