0 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BB_SC-01802 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 N#CCC(=O)C1=CC=CC=C1 BB_SC-05743 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 BB_NC-02800 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 BB_NC-00040 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BB_SC-07010 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB_SC-07343 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 BB_NC-01383 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BB_NC-02307 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BB_NC-00092 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB_SC-06077 [0,0,0,1,0,0|0,0,0]=1 27 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,0,0,1,0,0|2,0,0]=3 28 B12R2.1081 O=C1CCCC2=CC=CC=C12 BB_SC-01603 [0,0,0,1,0,0|2,0,1]=4 29 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BB_SC-05481 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.32 CN(CC#N)CC1=CC=CC=C1 BB_SC-08261 [0,0,0,0,0,1|3,0,0]=4 31 B12R1.32 CNCC(=O)NC1=CC=CN=C1 BB_SC-06037 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [2,0,0,0,0,0|0,0,0]=2 40 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [2,0,0,0,0,0|0,0,0]=2 44 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB_SC-06931 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BB_SC-06905 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB_SC-07445 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB_SC-11368 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB_NC-01337 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BB_SC-06986 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 BB_SC-07457 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.23 NCC(O)C1=CC(O)=CC=C1 BB_NC-02015 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 BB_SC-06886 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [1,1,0,0,0,0|0,0,2]=4 66 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.44 CNCCC(=O)NC1=CC=CC=C1 BB_SC-08649 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02401 [0,1,0,0,0,1|1,0,1]=4 73 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BB_NC-00514 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 BB_NC-00791 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.466 [C@H](O)(CNC)C1=CC(O)=C(O)C=C1 BB_NC-03284 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.24 CC(NCCCO)C1=CC=CN=C1 BB_SC-01370 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.24 CC(NCCCO)C1=NC=CC=C1 BB_SC-01368 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 BB_SC-05581 [0,2,0,0,0,0|1,0,1]=4 79 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [1,0,0,1,0,0|0,0,0]=2 80 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.26 CNCC1=NC2=CC=CC=C2N1 BB_SC-09302 [0,0,0,1,0,1|1,0,1]=4 82 B13R2.135 CO[C@@H]1C2=C(C=CC=C2)C[C@H]1O BB_NC-00087 [0,0,0,1,0,1|2,0,0]=4 83 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 BB_SC-04193 [0,1,0,1,0,0|0,0,1]=3 84 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 BB_SC-08889 [0,1,0,1,0,0|0,0,0]=2 85 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 BB_SC-09363 [0,1,0,1,0,0|0,0,0]=2 86 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 BB_SC-06514 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 BB_SC-03472 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 BB_SC-12599 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.3 C1=CN=CC(C2CCCCN2)=C1 BB_NC-00036 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.3 C1=CN=CC(C2CCCCN2)=C1 BB_NC-02926 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.1613 NCC1OCCC2=C1C=CC=C2 BB_SC-02761 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 BB_SC-08832 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 BB_SC-05669 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BB_SC-03400 [0,1,0,1,0,0|1,0,1]=4 95 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [0,1,0,1,0,0|1,0,0]=3 96 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 BB_SC-02410 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 BB_SC-05224 [0,1,0,1,0,0|2,0,0]=4 98 B13R1.42 CC(CCO)CCC1=CC=CC=C1 BB_NC-00136 [0,0,0,0,0,2|2,0,0]=4 99 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 BB_SC-05179 [0,0,0,0,0,2|1,0,1]=4