0 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.34 CC1OC(OC(O1)C)C CNP0019542.0 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.34 CC1OC(SC(O1)C)C CNP0002634.0 [0,0,0,0,0,0|0,1,0]=1 5 B9R1.34 C[C@@H]1S[C@@H](N[C@@H](S1)C)C CNP0249742.1 [0,0,0,0,0,0|1,2,0]=3 6 B9R1.34 C[C@H]1C[C@@H](C[C@H](C1)C)C CNP0111309.1 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C CNP0566092.0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.34 C[C@H]1O[C@H](O[C@H](O1)C)C CNP0582281.0 [0,0,0,0,0,0|0,0,0]=0 9 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.4 CC1NC(SCS1)C CNP0059396.0 [1,0,0,0,0,0|1,2,0]=4 11 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.8 CC[C@@H]1C[C@@H](C[C@@H](C1)C)C CNP0177504.1 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.22 C[C@H]1S[C@H](N([C@H](S1)C)C)C CNP0127616.1 [0,1,0,0,0,0|1,2,0]=4 18 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.5 CCSC(C)SC(C)S CNP0609795.0 [0,0,1,0,0,0|0,3,0]=4 24 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,0,0,0,1,0|1,0,1]=3 25 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,0,0,0,1,0|1,1,1]=4 26 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,0,1,0|1,0,1]=3 28 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,0,0,0,1,0|0,0,0]=1 29 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,0,1,0|2,0,1]=4 30 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,0,0,0,1,0|2,0,1]=4 31 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,0,1,0|2,0,1]=4 33 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,1,0,0,0|0,0,2]=4 34 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,1,0,0,0|0,0,2]=4 36 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,1,0,0,0|2,0,0]=4 37 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,0,1,0,0,0|0,0,2]=4 40 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,1,0,0,0|1,1,0]=4 43 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,1,0,0,0|1,0,0]=3 45 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,1,0,0,0|0,0,0]=2 47 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.7 CCSC(C)SCC CNP0610536.0 [1,0,1,0,0,0|0,2,0]=4 49 B7R1.3 CC1CCCCO1 CNP0292894.0 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.3 CC1CCOCO1 CNP0130543.0 [2,0,0,0,0,0|1,0,0]=3 51 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [2,0,0,0,0,0|1,1,0]=4 52 B9R0.53 CC(C)OC(C)OC(C)C CNP0324928.0 [0,1,1,0,0,0|1,0,0]=3 53 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [1,1,0,0,0,0|1,1,0]=4 58 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.37 C[C@H]1[C@@H]([C@H](C[C@@H]1C)C)C CNP0315068.1 [0,1,0,0,1,0|2,0,0]=4 60 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,1,1,0,0|0,0,2]=4 61 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,0,1,1,0,0|2,0,0]=4 62 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,0,1,0,1,0|2,0,0]=4 63 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,0,1,0,1,0|1,0,1]=4 64 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,0,1,0,1,0|1,0,1]=4 65 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,1,0,1,0|0,0,2]=4 66 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,0,1,0,1,0|1,1,0]=4 67 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [1,0,0,0,1,0|1,0,1]=4 68 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,0,0,0,1,0|1,0,1]=4 69 B7R1.2 CC1CCC(S1)C CNP0003500.0 [1,0,0,0,1,0|1,1,0]=4 70 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,0,1,0|1,0,1]=4 71 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,0,1,0|2,0,0]=4 72 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,0,1,0|1,0,0]=3 73 B7R1.4 CC1OCCC1O CNP0002607.0 [1,0,0,0,1,0|2,0,0]=4 74 B7R1.4 CC1OCCC1S CNP0002942.0 [1,0,0,0,1,0|2,0,0]=4 75 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,0,1,0|2,0,0]=4 76 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,0,1,0|2,0,0]=4 77 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,0,1,0|2,0,0]=4