0 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.33 CC1=C(SC=N1)CCCl CNP0572414.0 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,0,0|2,1,0]=4 4 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [1,0,0,0,0,0|0,0,0]=1 15 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [1,0,0,0,0,0|0,0,2]=3 20 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [1,0,0,0,0,0|1,1,1]=4 21 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [1,0,0,0,0,0|0,1,0]=2 24 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.5 CCCC1=C(N=CS1)CC CNP0002550.0 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.29 CC1=COC=C1CCCO CNP0206041.0 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.29 CCCCC1=C(SC=N1)C CNP0218284.0 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.64 CC1=C(SC=N1)CC(=O)O CNP0480742.0 [0,1,0,0,0,0|0,0,1]=2 30 B10R1.130 CC1=NN(C(=C1)C)CCO CNP0060265.0 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.130 CCCC1=C(N=C(O1)C)C CNP0300414.0 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.130 CCCC1=C(N=C(S1)C)C CNP0002545.0 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.130 CCCC1=C(SC(=N1)C)C CNP0094529.0 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.149 CC1=C(SC=N1)[C@@H](O)CO CNP0389910.1 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,0,1,0,0,0|2,0,1]=4 37 B10R2.7 C1=NC2=C(N1)CCNC2 CNP0546774.0 [0,0,0,1,0,0|2,0,0]=3 38 B10R2.7 C1=NC2=C(N1)CNCC2 CNP0329463.0 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,0,0,0,0,1|3,0,0]=4 46 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,0,1,0,0,0|1,1,0]=4 53 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,0,1,0,0,0|1,1,0]=4 56 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [2,0,0,0,0,0|1,1,0]=4 57 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [2,0,0,0,0,0|1,0,0]=3 58 B7R1.1 CCC1=COC=C1 CNP0136418.0 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [2,0,0,0,0,0|1,1,0]=4 62 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [2,0,0,0,0,0|1,0,0]=3 63 B7R1.1 OCC1=COC=C1 CNP0248845.0 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [2,0,0,0,0,0|1,1,0]=4 66 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [2,0,0,0,0,0|1,1,0]=4 68 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [2,0,0,0,0,0|0,1,0]=3 69 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [2,0,0,0,0,0|1,0,0]=3 70 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [2,0,0,0,0,0|0,0,0]=2 71 B7R1.4 CC1=NC=CN1C CNP0511652.0 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [1,1,0,0,0,0|1,1,0]=4 73 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [1,1,0,0,0,0|1,1,0]=4 76 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,1,0,0,0,0|1,1,0]=4 77 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [1,1,0,0,0,0|0,0,2]=4 82 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [1,1,0,0,0,0|0,1,0]=3 83 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [1,1,0,0,0,0|0,0,0]=2 84 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.41 C=CC1=CN=CC=C1CCO CNP0267884.0 [0,1,0,0,0,1|1,0,1]=4 92 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.189 COC1=CC=CC(=C1)CCO CNP0066003.0 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.18 CCCCC1=C(N=CS1)CC CNP0126711.0 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.183 CCCC1=C(N=C(O1)C)CC CNP0002744.0 [0,2,0,0,0,0|1,1,0]=4 99 B11R1.183 CCCC1=C(N=C(S1)C)CC CNP0186317.0 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.230 CCCCC1=C(N=C(O1)C)C CNP0339739.0 [0,2,0,0,0,0|1,1,0]=4 101 B11R1.89 CC1=C(SC=C1)[C@@H](N)C(=O)O CNP0587156.2 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.89 CC1=C(SC=C1)[C@H](N)C(=O)O CNP0587156.1 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.185 CCCC1=C(N=C(O1)CC)C CNP0002745.0 [0,2,0,0,0,0|1,1,0]=4 104 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,0,0,1,0,1|2,0,0]=4 106 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,0,0,1,0,1|2,0,0]=4 107 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,0,0,1,0,1|2,0,0]=4 108 B11R2.1 CN1C=NC2=C1CCNC2 CNP0365062.0 [0,1,0,1,0,0|2,0,0]=4