0 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 BB_SC-06916 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 BB_SC-02505 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BB_SC-06870 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BB_SC-07129 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 BB_SC-06693 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.3 CN(O)C1=CC=C(C=O)C=C1 BB_SC-03089 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BB_SC-02991 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 BB_NC-00019 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 BB_SC-05597 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 BB_SC-06968 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.3 COC1=CC=C(C=O)C=C1 BB_NC-02206 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.3 COC1=CC=C(CN)C=C1 BB_NC-02172 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.3 COC1=CC=C(CO)C=C1 BB_NC-02176 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.3 COC1=CC=C(NN)C=C1 BB_SC-09378 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.3 CSC1=CC=C(C=O)C=C1 BB_SC-11238 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.3 N#CC1=CC=C(CCl)C=C1 BB_SC-03007 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB_SC-12018 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BB_SC-11893 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 BB_SC-07015 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 BB_SC-02504 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.113 CC(C)C1=CC=C(N=C=S)C=C1 BB_SC-01817 [0,1,0,0,0,0|0,1,1]=3 31 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 BB_SC-06872 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 BB_SC-01840 [0,1,0,0,0,0|1,1,1]=4 33 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 BB_SC-06662 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 BB_SC-12556 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.31 CC(C)N1C=CC(C=O)=C1 BB_SC-08150 [0,0,0,0,1,0|1,0,2]=4 36 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB_NC-02438 [0,0,0,0,0,1|0,0,2]=3 37 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB_NC-02444 [0,0,0,0,0,1|1,0,0]=2 38 B9R0.1 C\C=C(C)\C=C\C=C(C)C BB_NC-01504 [1,0,1,0,0,0|0,0,2]=4 39 B9R1.1 CC1=CC=C(CCl)C=C1 BB_SC-06960 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 CCC1=CC=C(N)C=C1 BB_SC-07009 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.1 COC1=CC=C(S)C=C1 BB_SC-06511 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.1 ClCC1=CC=C(Br)C=C1 BB_SC-04526 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 FC1=CC=C(CCl)C=C1 BB_SC-06883 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 NCC1=CC=C(Cl)C=C1 BB_SC-04583 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 NCC1=CC=C(N)C=C1 BB_SC-08895 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.1 OCC1=CC=C(Cl)C=C1 BB_SC-06996 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 OCC1=CC=C(F)C=C1 BB_SC-06738 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.83 CCOC1=CC=C(C=O)C=C1 BB_SC-06983 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.83 COC1=CC=C(CCCl)C=C1 BB_SC-07143 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.83 COC1=CC=C(CCN)C=C1 BB_NC-02181 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.83 COC1=CC=C(CCO)C=C1 BB_SC-09388 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.83 O=CC1=CC=C(CCBr)C=C1 BB_SC-09762 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.279 COC1=COC(CO)=CC1=O BB_NC-02856 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BB_SC-00452 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB_SC-06931 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BB_SC-06905 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BB_NC-02783 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB_NC-01337 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.166 CC(=O)C1=CC=C(O)C=C1O BB_SC-06691 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 BB_SC-06774 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 BB_NC-02806 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 BB_SC-02758 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.36 COC1=CC=C(C(N)C(C)C)C=C1 BB_NC-02843 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 BB_SC-02737 [0,1,0,0,0,1|0,0,1]=3 71 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=N1 BB_NC-02868 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.537 CC(C)C1=CC=C(C(=O)CCl)C=C1 BB_SC-05742 [0,2,0,0,0,0|1,0,0]=3 73 B13R2.2130 CN1C=CC2=CC(CO)=CC=C21 BB_SC-12345 [0,1,0,1,0,0|1,0,1]=4 74 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [1,0,0,0,0,1|1,0,1]=4 75 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BB_SC-10569 [1,0,0,0,0,1|1,0,0]=3 76 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 BB_NC-02439 [0,0,0,0,0,2|0,0,2]=4 77 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 BB_NC-02445 [0,0,0,0,0,2|1,0,0]=3