0 B11R1.15 CC1=CC=C(O1)C(C)CC=O CNP0108056.0 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,0,1,0,0,0|1,0,2]=4 2 B10R0.3 CC(=CCC=C(C)CC=O)C CNP0267301.0 [0,0,1,0,0,0|1,0,2]=4 3 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [0,0,1,0,0,0|1,0,2]=4 4 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [0,0,1,0,0,0|1,0,2]=4 5 B12R2.6 CC1=CC=C(O1)C2CCCN2 CNP0325112.0 [0,0,0,1,0,0|2,0,1]=4 6 B12R2.6 CC1=CC=C(S1)C2CN=CO2 CNP0345740.0 [0,0,0,1,0,0|2,1,0]=4 7 B12R1.16 CC1=CCC(CC1)C(C)CC=O CNP0025837.0 [0,0,0,0,0,1|1,0,2]=4 8 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [1,0,1,0,0,0|1,0,1]=4 9 B9R0.1 CC[C@@H](C)/C=C/C=C(C)C CNP0154756.1 [1,0,1,0,0,0|1,0,1]=4 10 B9R0.1 CC[C@@H](C)/C=C\C=C(C)C CNP0154756.2 [1,0,1,0,0,0|1,0,1]=4 11 B9R0.5 CC=COCC(C)CC=O CNP0595975.0 [1,0,1,0,0,0|0,0,2]=4 12 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [2,0,0,0,0,0|1,0,1]=4 13 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [2,0,0,0,0,0|1,0,1]=4 14 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [2,0,0,0,0,0|0,0,2]=4 15 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [2,0,0,0,0,0|0,0,1]=3 21 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [2,0,0,0,0,0|0,1,1]=4 22 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [2,0,0,0,0,0|0,0,0]=2 26 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [2,0,0,0,0,0|2,0,0]=4 28 B11R0.174 CC(=CCCC(C)CC=O)CO CNP0506134.0 [0,1,1,0,0,0|0,0,2]=4 29 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.314 CC(=O)C(=O)C1=CC=C(O1)C CNP0165601.0 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.17 C=CCC[C@H](C)C1=CC=C(C=C1)C CNP0003610.1 [0,1,0,0,0,1|2,0,0]=4 33 B13R1.17 CC1=CC=C(C=C1)[C@H](C)CCC=O CNP0199837.1 [0,1,0,0,0,1|1,0,0]=3 34 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [0,1,0,0,0,1|1,0,0]=3 35 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [0,1,0,0,0,1|1,0,0]=3 36 B13R1.132 CC(=O)N[C@@H](C)C1=CC=C(N=C1)C CNP0191708.1 [0,1,0,0,0,1|2,0,0]=4 37 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,1,0,0,0,1|2,0,0]=4 38 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,1,0,0,0,1|1,0,0]=3 39 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,1,0,0,0,1|1,0,0]=3 40 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.466 CC(=CC=O)C1=CC=C(C(=O)O1)C CNP0267185.0 [0,1,0,0,0,1|0,0,2]=4 43 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,0,1,1,0,0|1,0,1]=4 44 B11R2.67 CC1=C2C(=O)CCN2C=C1 CNP0301165.0 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.11642 CC1=COC2=C1C(=O)C[C@@H](C2)C CNP0338653.2 [0,0,0,1,0,1|2,0,0]=4 46 B13R2.11642 CC1=COC2=C1C(=O)C[C@H](C2)C CNP0338653.1 [0,0,0,1,0,1|2,0,0]=4 47 B13R2.10 CC1=CC=C(O1)C2CCCCN2 CNP0002602.0 [0,1,0,1,0,0|1,0,1]=4 48 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,0,0,0,0,1|1,0,0]=3 49 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,0,0,0,0,1|1,0,1]=4 50 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,0,0,0,0,1|1,0,1]=4 51 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,0,0,0,0,1|2,0,0]=4