0 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.11 CCC(C)C1=COCC1 CNP0578836.0 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.11 CCC(C)C1C=COC1 CNP0612000.0 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [0,0,0,0,0,0|0,0,2]=2 10 B9R1.11 CC[C@@H](C)[C@H]1SCSS1 CNP0352742.1 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,0,0,0,0,0|3,1,0]=4 12 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,0,0,0,0,0|1,1,1]=4 15 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,0,0,0,0,0|2,1,0]=4 19 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,0,0|2,1,0]=4 26 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,0,0|2,1,0]=4 27 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.6 CCC(C)(C)C1=NOC=C1 CNP0114020.0 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.14 CCC(=O)C1=NC(=CS1)C CNP0322098.0 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.23 C[C@@H](O)[C@H](N)C1=NC=CS1 CNP0540575.1 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,0,1,0,0,0|1,1,1]=4 39 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,0,1,0,0,0|1,1,1]=4 40 B8R0.6 C/C=C/SS[C@@H](C)CC CNP0144239.2 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.6 C/C=C/SS[C@H](C)CC CNP0144239.1 [0,0,1,0,0,0|2,0,0]=3 42 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,0,0,0,0,1|1,0,0]=2 45 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,0,0,0,0,1|3,0,0]=4 51 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [1,0,1,0,0,0|0,0,1]=3 52 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [1,0,1,0,0,0|0,0,2]=4 53 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,1,0,0,0|0,1,0]=3 54 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|1,1,0]=4 57 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,1,0,0,0|0,0,2]=4 58 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,1,0,0,0|0,0,2]=4 59 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,0,1,0,0,0|2,0,0]=4 60 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [2,0,0,0,0,0|1,1,0]=4 61 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [2,0,0,0,0,0|1,0,0]=3 62 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [2,0,0,0,0,0|0,0,0]=2 63 B7R1.1 COC1=NC=CC1 CNP0549754.0 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [2,0,0,0,0,0|2,0,0]=4 66 B9R0.1 CC[C@@H](C)/C=C/C=C(C)C CNP0154756.1 [0,1,1,0,0,0|2,0,0]=4 67 B9R0.1 CC[C@@H](C)/C=C\C=C(C)C CNP0154756.2 [0,1,1,0,0,0|2,0,0]=4 68 B9R0.50 C/C=C/SS[C@@H](CC)SC CNP0130055.1 [0,1,1,0,0,0|2,0,0]=4 69 B9R0.50 C/C=C/SS[C@H](CC)SC CNP0130055.2 [0,1,1,0,0,0|2,0,0]=4 70 B9R1.19 CC(C)(C)C1=CC=CS1 CNP0063130.0 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [1,1,0,0,0,0|1,1,0]=4 73 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [1,1,0,0,0,0|0,0,0]=2 74 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [1,1,0,0,0,0|0,1,0]=3 77 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [1,1,0,0,0,0|0,1,0]=3 78 B9R1.7 CCSC1=NN=C(S1)N CNP0027334.0 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,1,0,0,0,0|1,1,0]=4 80 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,1,0,0,0,0|1,1,0]=4 82 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,1,0,0,0,0|1,1,0]=4 83 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.222 CCC(C)C1=NN=CC=C1C CNP0391366.0 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.84 CSC(=NC1=NC=CS1)SC CNP0079354.0 [0,1,0,0,0,1|1,0,1]=4 96 B11R1.77 N[C@@H](CC(=O)O)C1=NC=CS1 CNP0270523.1 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.226 CCC(C)C1N=C(C(S1)C)C CNP0002810.0 [0,2,0,0,0,0|0,0,2]=4 98 B11R1.226 CC[C@H](C)C1=NC(=C(S1)C)C CNP0332845.1 [0,2,0,0,0,0|0,0,0]=2 99 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [1,0,0,1,0,0|1,0,0]=3 100 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,0,0,1,0,1|1,0,0]=3 101 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,1|2,0,0]=4 102 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,0,0,1,0,1|1,0,0]=3 103 B11R2.2 C1=COC(=C1)C2CCCN2 CNP0261874.0 [0,1,0,1,0,0|1,1,0]=4 104 B11R2.2 C1=CSC(=N1)C2=NCCS2 CNP0184313.0 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,1|2,0,0]=4 106 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,1|1,0,0]=3 107 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,0,0,0,0,1|2,0,0]=4 108 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,1|1,0,0]=3 109 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,1|2,0,0]=4 110 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,1|2,0,0]=4 111 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,1|1,0,0]=3 112 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,1|1,0,0]=3 113 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,1|2,0,0]=4 114 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,1|1,0,0]=3 115 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,1|2,0,0]=4 116 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,1|2,0,0]=4 117 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,0,0,0,0,2|1,0,1]=4 118 B11R1.25 CCC(C)SSC1=NC=CN1 CNP0583370.0 [0,0,0,0,0,2|1,0,0]=3