0 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB_SC-09060 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.32 CN(CC#N)CC1=CC=CC=C1 BB_SC-08261 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 BB_NC-01383 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BB_NC-02307 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB_SC-08128 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BB_SC-07737 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.118 COC(CC1=CC=CC=C1)OC BB_SC-07095 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BB_SC-08760 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 BB_SC-00528 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,0,0,1,0,0|2,0,0]=3 29 B12R2.32 NCC1CC2=CC=CC=C2O1 BB_SC-03440 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.32 OCC1CC2=CC=CC=C2O1 BB_SC-02420 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [0,0,0,0,1,0|2,0,1]=4 33 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [2,0,0,0,0,0|0,0,0]=2 37 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [1,1,0,0,0,0|0,0,2]=4 54 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BB_SC-10569 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BB_SC-07028 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB_SC-07445 [0,1,0,0,1,0|1,0,1]=4 62 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 BB_SC-07457 [0,1,0,0,1,0|1,0,1]=4 63 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [0,1,0,0,1,0|1,0,1]=4 64 B13R1.42 CC(CCO)CCC1=CC=CC=C1 BB_NC-00136 [0,1,0,0,0,1|1,0,0]=3 65 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 BB_SC-05179 [0,1,0,0,0,1|1,0,1]=4 66 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02401 [0,1,0,0,0,1|1,0,1]=4 67 B13R1.417 CC[C@H](CO)NCC1=CC=CC=C1 BB_SC-09756 [0,1,0,0,0,1|1,0,0]=3 68 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 BB_SC-08086 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.148 CN(C)C(=O)CC1=CC=CC(N)=C1 BB_SC-07738 [0,2,0,0,0,0|1,0,1]=4 70 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N BB_SC-08129 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O BB_NC-02866 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.25 CNC(C)CCC1=CC=CO1 BB_SC-01110 [0,0,1,1,0,0|1,0,1]=4 73 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [1,0,0,1,0,0|0,0,0]=2 74 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [1,0,0,1,0,0|1,0,1]=4 76 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [1,0,0,1,0,0|1,0,1]=4 77 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 BB_SC-06595 [0,1,0,1,0,0|0,0,1]=3 78 B13R2.135 CO[C@@H]1C2=C(C=CC=C2)C[C@H]1O BB_NC-00087 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 BB_SC-11702 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.45 CN1C2=CC=CC=C2N=C1CN BB_SC-09680 [0,1,0,1,0,0|1,0,1]=4 81 B13R2.45 OCC1CC2=CC=CC=C2C1O BB_NC-00120 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BB_SC-03400 [0,1,0,1,0,0|1,0,1]=4 83 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 BB_SC-05462 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [0,1,0,1,0,0|1,0,0]=3 85 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 86 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [1,0,0,0,1,0|0,0,0]=2 87 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [1,0,0,0,1,0|2,0,0]=4 88 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [1,0,0,0,1,0|0,0,0]=2 89 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [1,0,0,0,1,0|0,0,0]=2 90 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [1,0,0,0,1,0|1,0,1]=4