0 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,0,0,0,0,0|2,0,0]=2 40 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.47 N[C@H](CC#CCO)C(=O)O CNP0253353.1 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.6 CCCCCC(S)SC CNP0002612.0 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,0,0,0,0,0|1,0,1]=3 56 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|0,0,2]=3 67 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,0,0,0,0|0,0,2]=3 70 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,0,0,0,0|0,0,2]=3 72 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|1,0,0]=2 75 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|1,0,0]=2 76 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|1,0,0]=2 77 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|0,0,0]=1 78 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|1,0,0]=2 84 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|1,0,0]=2 87 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,0,0,0,0|2,0,0]=3 89 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|1,0,0]=2 92 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|1,0,0]=2 94 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|1,0,1]=3 95 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [1,0,0,0,0,0|1,0,2]=4 96 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [1,0,0,0,0,0|1,0,2]=4 97 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [1,0,0,0,0,0|1,0,2]=4 98 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [1,0,0,0,0,0|1,0,2]=4 99 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [1,0,0,0,0,0|1,0,2]=4 100 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [1,0,0,0,0,0|1,0,2]=4 101 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [1,0,0,0,0,0|2,0,1]=4 102 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [1,0,0,0,0,0|2,0,1]=4 103 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,0,0,0,0,0|1,0,2]=4 104 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,0,0,0,0,0|0,0,2]=3 105 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,0,0,0,0,0|2,0,1]=4 106 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,0,0,0,0,0|1,0,1]=3 107 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,0,0,0,0,0|1,0,1]=3 108 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,0,0,0,0,0|0,0,0]=1 109 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,0,0,0,0,0|1,0,0]=2 110 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [1,0,0,0,0,0|2,0,0]=3 111 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,0,0,0,0,0|1,0,0]=2 112 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,0,0,0,0,0|1,0,0]=2 114 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,0,0,0,0,0|1,0,0]=2 115 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,0,0,0,0,0|2,0,0]=3 118 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,0,0,0,0,0|2,0,0]=3 120 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [1,0,0,0,0,0|3,0,0]=4 122 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [1,0,0,0,0,0|3,0,0]=4 123 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,0,0,0,0,0|1,0,0]=2 124 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [1,0,0,0,0,0|2,0,0]=3 125 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,0,0,0,0,0|2,0,0]=3 127 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,0,0,0,0,0|2,0,0]=3 130 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,0,0,0,0,0|2,0,0]=3 131 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,0,0,0,0,0|2,0,0]=3 132 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [1,0,0,0,0,0|3,0,0]=4 133 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [1,0,0,0,0,0|3,0,0]=4 134 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,0,0,0,0,0|2,0,0]=3 136 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,0,0,0,0,0|2,0,0]=3 137 B10R0.26 C#CC[C@@H](O)C[C@H](N)C(=O)O CNP0170065.1 [0,1,0,0,0,0|1,0,2]=4 138 B10R0.26 C#CC[C@H](O)C[C@H](N)C(=O)O CNP0170065.2 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,1,0,0,0,0|2,0,1]=4 140 B10R0.26 CCC[S+]([O-])C[C@H](N)C(=O)O CNP0487043.1 [0,1,0,0,0,0|2,0,0]=3 141 B10R0.26 CCC[S@+]([O-])C[C@H](N)C(=O)O CNP0487043.2 [0,1,0,0,0,0|2,0,0]=3 142 B10R0.26 CCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0538911.1 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,1,0,0,0,0|1,0,1]=3 144 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,1,0,0,0,0|2,0,1]=4 145 B10R0.26 CCOC(C)OC(C)C(=O)O CNP0445078.0 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.26 CSC[S@+]([O-])C[C@H](N)C(=O)O CNP0546443.1 [0,1,0,0,0,0|3,0,0]=4 147 B10R0.26 CSC[S@H+]([O-])C[C@H](N)C(=O)O CNP0547280.1 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.26 C[C@@H](NC(=O)CCS)C(=O)O CNP0496642.1 [0,1,0,0,0,0|2,0,1]=4 149 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.26 N[C@@H](C[S@+]([O-])CCO)C(=O)O CNP0513802.1 [0,1,0,0,0,0|3,0,0]=4 151 B10R0.26 N[C@@H](C[S@H+]([O-])CCO)C(=O)O CNP0527052.1 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,0,0,0,0|1,0,1]=3 153 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,1,0,0,0,0|0,0,0]=1 154 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|1,0,0]=2 155 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,1,0,0,0,0|1,0,0]=2 156 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|1,0,0]=2 157 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,1,0,0,0,0|1,0,0]=2 158 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,0,0,0,0|1,0,0]=2 159 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,1,0,0,0,0|2,0,0]=3 160 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|1,0,0]=2 161 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,1,0,0,0,0|1,0,1]=3 162 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|1,0,0]=2 163 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|1,0,0]=2 164 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,1,0,0,0,0|2,0,0]=3 165 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,0,0,0,0|2,0,0]=3 166 B10R0.75 N[C@@H](CSSCCO)C(=O)O CNP0533136.1 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.81 CCOCC(O)C(N)C(=O)O CNP0242428.0 [0,1,0,0,0,0|2,0,0]=3 168 B10R0.81 CCOC[C@@H](O)[C@@H](N)C(=O)O CNP0242428.1 [0,1,0,0,0,0|2,0,0]=3 169 B10R0.82 C/N=[N+](\[O-])/CC[C@H](N)C(=O)O CNP0541891.1 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.82 CN=[N+]([O-])CC[C@H](N)C(=O)O CNP0541891.2 [0,1,0,0,0,0|3,0,0]=4 171 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O CNP0587641.1 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.82 NC(CCP(=O)CO)C(=O)O CNP0023391.0 [0,1,0,0,0,0|3,0,0]=4 173 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O CNP0308911.1 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.82 O=C(O)C(=O)CC[C@H](O)CO CNP0119428.1 [0,1,0,0,0,0|2,0,1]=4 175 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,1,0,0,0,0|2,0,0]=3 176 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,1,0,0,0,0|2,0,0]=3 177 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,1,0,0,0,0|2,0,1]=4 178 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,1,0,0,0,0|0,0,0]=1 179 B10R0.86 CCCCCC(CO)C(=O)C CNP0002850.0 [0,1,0,0,0,0|1,0,0]=2 180 B10R0.86 CN[C@@H](CCCCN)C(=O)O CNP0039590.1 [0,1,0,0,0,0|1,0,0]=2 181 B10R0.86 NCCCC[C@H](NO)C(=O)O CNP0382420.1 [0,1,0,0,0,0|2,0,0]=3 182 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,1,0,0,0,0|0,0,2]=3 183 B10R0.98 CC(=O)CSC[C@H](N)C(=O)O CNP0525755.1 [0,1,0,0,0,0|2,0,1]=4 184 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,1,0,0,0,0|2,0,1]=4 185 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,1,0,0,0,0|2,0,1]=4 186 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,1,0,0,0,0|2,0,1]=4 187 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,1,0,0,0,0|0,0,0]=1 188 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,1,0,0,0,0|1,0,0]=2 189 B10R0.98 C[C@@H](NCCC(=O)O)C(=O)O CNP0294276.2 [0,1,0,0,0,0|2,0,1]=4 190 B10R0.98 C[C@H](NCCC(=O)O)C(=O)O CNP0294276.1 [0,1,0,0,0,0|2,0,1]=4 191 B10R0.98 NC(=O)CCCC(N)C(=O)O CNP0609522.0 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CNP0180807.1 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CNP0180807.2 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.98 O=C(O)CCC[C@@H](O)C(=O)O CNP0094826.1 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,0,0,1,0,0|2,0,1]=4 196 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,0,0,1,0,0|2,0,1]=4 197 B10R1.23 CC(=O)C(C)N1CCCC1 CNP0002599.0 [0,0,0,1,0,0|2,0,0]=3 198 B10R1.23 C[C@@H](C(=O)O)C1=CCCC1 CNP0313438.1 [0,0,0,1,0,0|0,0,2]=3 199 B10R1.23 NC(C(=O)O)C1CC=CC1 CNP0222178.0 [0,0,0,1,0,0|1,0,2]=4 200 B10R1.23 N[C@@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.1 [0,0,0,1,0,0|1,0,2]=4 201 B10R1.23 N[C@H](C(=O)O)C1CC=CC1 CNP0222178.1 [0,0,0,1,0,0|1,0,2]=4 202 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,0,0,1,0,0|1,0,0]=2 203 B10R1.23 N[C@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.2 [0,0,0,1,0,0|1,0,2]=4 204 B10R1.31 O=C(O)[C@@H]1C[C@@H](CN1)CO CNP0249582.1 [0,0,0,1,0,0|2,0,0]=3 205 B10R1.31 O=C(O)[C@@H]1C[C@H](CN1)CO CNP0249582.4 [0,0,0,1,0,0|2,0,0]=3 206 B10R1.31 O=C(O)[C@H]1C[C@@H](CN1)CO CNP0249582.3 [0,0,0,1,0,0|2,0,0]=3 207 B10R1.31 O=C(O)[C@H]1C[C@H](CN1)CO CNP0249582.2 [0,0,0,1,0,0|2,0,0]=3 208 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,0,0,1,0,0|2,0,0]=3 209 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,0,0,1,0,0|2,0,1]=4 210 B10R1.113 CC1=NCC[C@H](N1)C(=O)O CNP0261015.1 [0,0,0,1,0,0|2,0,1]=4 211 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O CNP0499597.2 [0,0,0,1,0,0|2,0,1]=4 212 B10R1.113 CC1=N[C@H](CCN1)C(=O)O CNP0499597.1 [0,0,0,1,0,0|2,0,1]=4 213 B10R1.113 CC1=N[C@H](CC[N]1)C(=O)O CNP0547095.1 [0,0,0,1,0,0|2,0,1]=4 214 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,0,0,1,0,0|1,0,0]=2 215 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,0,0,1,0,0|2,0,0]=3 216 B10R1.113 CN1CCC=C(C1)C(=O)O CNP0266221.0 [0,0,0,1,0,0|1,0,2]=4 217 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,0,0,1,0,0|1,0,0]=2 218 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,0,0,1,0,0|1,0,0]=2 219 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,0,0,1,0,0|1,0,0]=2 220 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,0,0,1,0,0|1,0,0]=2 221 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,0,0,1,0,0|1,0,0]=2 222 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,0,0,1,0,0|1,0,0]=2 223 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,0,0,1,0,0|1,0,0]=2 224 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,0,0,1,0,0|3,0,0]=4 225 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,0,0,1,0,0|1,0,2]=4 226 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,0,0,1,0,0|2,0,0]=3 227 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,0,0,1,0,0|3,0,0]=4 228 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,0,0,1,0,0|2,0,0]=3 229 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,0,0,1,0,0|3,0,0]=4 230 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,0,0,1,0,0|2,0,0]=3 231 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,0,0,1,0,0|3,0,0]=4 232 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,0,0,1,0,0|2,0,0]=3 233 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,0,0,1,0,0|3,0,0]=4 234 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,0,0,1,0,0|3,0,0]=4 235 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,1,0,0|1,0,1]=3 236 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,0,0,1,0,0|2,0,1]=4 237 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,0,0,1,0,0|2,0,1]=4 238 B10R1.190 C=C1CC1C[C@H](N)C(=O)O CNP0301702.2 [0,0,0,1,0,0|1,0,2]=4 239 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O CNP0301702.3 [0,0,0,1,0,0|1,0,2]=4 240 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O CNP0301702.1 [0,0,0,1,0,0|1,0,2]=4 241 B10R1.291 O=C(O)C1(COCC1O)O CNP0326065.0 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,1,0,0|0,0,0]=1 243 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|1,0,0]=2 244 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|1,0,0]=2 245 B10R1.363 CC1(CCCCC1)C(=O)O CNP0464995.0 [0,0,0,1,0,0|0,0,0]=1 246 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [0,0,0,1,0,0|1,0,0]=2 247 B10R1.363 NC1(CCSCC1)C(=O)O CNP0563448.0 [0,0,0,1,0,0|2,0,0]=3 248 B10R1.363 N[C@@]1(CCCSC1)C(=O)O CNP0604228.2 [0,0,0,1,0,0|2,0,0]=3 249 B10R1.363 N[C@]1(CCCSC1)C(=O)O CNP0604228.1 [0,0,0,1,0,0|2,0,0]=3 250 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [0,0,0,1,0,0|2,0,1]=4 251 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,0,0,0,0,1|1,0,1]=3 252 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,0,0,0,0,1|0,0,0]=1 253 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,0,0,0,0,1|1,0,0]=2 254 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,0,0,0,0,1|1,0,0]=2 255 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,0,0,0,0,1|1,0,0]=2 256 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,0,0,0,0,1|2,0,0]=3 257 B7R0.1 C=CCCCCCC CNP0246919.0 [2,0,0,0,0,0|1,0,0]=3 258 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|2,0,0]=4 259 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 260 B7R0.1 CCC=CCCC=O CNP0265888.0 [2,0,0,0,0,0|0,0,2]=4 261 B7R0.1 CCCC=CCC=O CNP0201799.0 [2,0,0,0,0,0|0,0,2]=4 262 B7R0.1 CCCCC=CC=O CNP0210810.0 [2,0,0,0,0,0|0,0,2]=4 263 B7R0.1 CCCCCCC#N CNP0186663.0 [2,0,0,0,0,0|1,0,1]=4 264 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|0,0,0]=2 265 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|1,0,1]=4 266 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,1]=4 267 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|0,0,1]=3 268 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|2,0,0]=4 269 B7R0.1 CCCCCOC=O CNP0294368.0 [2,0,0,0,0,0|1,0,0]=3 270 B7R0.1 CCCCCON=O CNP0511882.0 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.1 CCCCNCCO CNP0185911.0 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.1 NCCCCCCO CNP0568466.0 [2,0,0,0,0,0|1,0,1]=4 274 B7R0.1 NCCCCCNO CNP0455910.0 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.1 OCCCCCCBr CNP0593386.0 [2,0,0,0,0,0|1,0,1]=4 276 B7R0.1 OCCCCCCO CNP0080019.0 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.1 OCCCCCCS CNP0154751.0 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [2,0,0,0,0,0|0,0,2]=4 279 B7R0.3 C=CC(C)CCCC CNP0354372.0 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.3 CCCCC(C)CO CNP0563062.0 [2,0,0,0,0,0|0,0,1]=3 283 B7R0.3 CCCCC(O)CO CNP0481107.0 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [2,0,0,0,0,0|0,0,0]=2 285 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|1,0,1]=4 286 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|1,0,1]=4 287 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [2,0,0,0,0,0|0,0,1]=3 288 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|1,0,0]=3 290 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|0,0,2]=4 291 B7R0.4 CC(C)CCCCO CNP0497904.0 [2,0,0,0,0,0|1,0,1]=4 292 B7R0.4 CC(O)CCCCO CNP0285438.0 [2,0,0,0,0,0|1,0,0]=3 293 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|0,0,2]=4 294 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|0,0,2]=4 295 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|0,0,2]=4 296 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 297 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|0,0,2]=4 298 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|0,0,2]=4 299 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|0,0,1]=3 300 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,0]=3 301 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,0]=2 302 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|0,1,0]=3 303 B7R0.4 CCCCCC(C)C CNP0146536.0 [2,0,0,0,0,0|0,0,1]=3 304 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,0]=2 305 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [2,0,0,0,0,0|1,0,0]=3 306 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|0,0,0]=2 307 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [2,0,0,0,0,0|0,1,0]=3 308 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [2,0,0,0,0,0|1,0,0]=3 309 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|0,0,0]=2 310 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [2,0,0,0,0,0|0,1,0]=3 311 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|1,0,1]=4 312 B7R0.4 CCCNCC(C)C CNP0333564.0 [2,0,0,0,0,0|1,0,1]=4 313 B7R0.4 CCCSCC(C)C CNP0116113.0 [2,0,0,0,0,0|1,0,1]=4 314 B7R0.4 CCNCCC(C)C CNP0184897.0 [2,0,0,0,0,0|1,0,1]=4 315 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|1,0,1]=4 316 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,0]=3 317 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|1,0,1]=4 318 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,0]=3 319 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|1,0,1]=4 320 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [2,0,0,0,0,0|1,0,1]=4 321 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|1,0,0]=3 323 B7R0.4 NCCNCC(=O)O CNP0461877.0 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|1,0,0]=3 325 B7R0.4 O=C(O)CNCCO CNP0333030.0 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|1,0,1]=4 327 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [2,0,0,0,0,0|0,0,2]=4 328 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [2,0,0,0,0,0|0,0,2]=4 330 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [2,0,0,0,0,0|0,0,2]=4 331 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [2,0,0,0,0,0|0,0,2]=4 332 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [2,0,0,0,0,0|1,0,1]=4 333 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [2,0,0,0,0,0|1,0,0]=3 334 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [2,0,0,0,0,0|1,0,0]=3 335 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [2,0,0,0,0,0|1,0,0]=3 336 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [2,0,0,0,0,0|0,0,0]=2 337 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [2,0,0,0,0,0|1,0,0]=3 338 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [2,0,0,0,0,0|1,0,0]=3 340 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [2,0,0,0,0,0|1,0,0]=3 341 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [2,0,0,0,0,0|0,0,0]=2 342 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [2,0,0,0,0,0|2,0,0]=4 346 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [2,0,0,0,0,0|2,0,0]=4 347 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [2,0,0,0,0,0|2,0,0]=4 349 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [2,0,0,0,0,0|2,0,0]=4 350 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [2,0,0,0,0,0|1,0,0]=3 351 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [2,0,0,0,0,0|1,0,0]=3 352 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [2,0,0,0,0,0|2,0,0]=4 354 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [2,0,0,0,0,0|2,0,0]=4 359 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [2,0,0,0,0,0|2,0,0]=4 360 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [2,0,0,0,0,0|2,0,0]=4 361 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [1,1,0,0,0,0|0,0,2]=4 362 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [1,1,0,0,0,0|1,0,0]=3 363 B9R0.1 C=C[C@@H](C)CCCC(=C)C CNP0304623.1 [1,1,0,0,0,0|1,0,1]=4 364 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [1,1,0,0,0,0|0,0,2]=4 365 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [1,1,0,0,0,0|0,0,2]=4 366 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [1,1,0,0,0,0|0,0,2]=4 367 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [1,1,0,0,0,0|0,0,0]=2 368 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [1,1,0,0,0,0|0,0,1]=3 369 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [1,1,0,0,0,0|0,0,0]=2 370 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [1,1,0,0,0,0|0,0,1]=3 371 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [1,1,0,0,0,0|1,0,1]=4 372 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [1,1,0,0,0,0|1,0,1]=4 373 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [1,1,0,0,0,0|2,0,0]=4 374 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [1,1,0,0,0,0|0,0,0]=2 375 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [1,1,0,0,0,0|0,0,0]=2 376 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [1,1,0,0,0,0|0,0,0]=2 378 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [1,1,0,0,0,0|2,0,0]=4 379 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [1,1,0,0,0,0|1,0,1]=4 380 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [1,1,0,0,0,0|1,0,1]=4 381 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [1,1,0,0,0,0|1,0,1]=4 382 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [1,1,0,0,0,0|1,0,1]=4 383 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [1,1,0,0,0,0|1,0,1]=4 384 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [1,1,0,0,0,0|1,0,1]=4 385 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [1,1,0,0,0,0|1,0,1]=4 386 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [1,1,0,0,0,0|1,0,1]=4 387 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [1,1,0,0,0,0|0,0,1]=3 392 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [1,1,0,0,0,0|1,0,1]=4 393 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,1,0,0,0,0|0,0,0]=2 394 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,1,0,0,0,0|0,0,1]=3 395 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [1,1,0,0,0,0|2,0,0]=4 396 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 397 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,1,0,0,0,0|1,0,1]=4 398 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,1,0,0,0,0|2,0,0]=4 399 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [1,1,0,0,0,0|2,0,0]=4 401 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [1,1,0,0,0,0|1,0,1]=4 402 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [1,1,0,0,0,0|1,0,0]=3 403 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [1,1,0,0,0,0|1,0,1]=4 404 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [1,1,0,0,0,0|0,0,2]=4 405 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,1,0,0,0,0|1,0,1]=4 406 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,1,0,0,0,0|1,0,0]=3 407 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [1,1,0,0,0,0|2,0,0]=4 408 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,1,0,0,0,0|0,0,1]=3 409 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,1,0,0,0,0|1,0,1]=4 410 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [1,1,0,0,0,0|0,0,1]=3 411 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [1,1,0,0,0,0|0,0,1]=3 412 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [1,1,0,0,0,0|1,0,1]=4 413 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [1,1,0,0,0,0|0,0,1]=3 414 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,1,0,0,0,0|1,0,0]=3 415 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,1,0,0,0,0|1,0,0]=3 416 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,1,0,0,0,0|1,0,0]=3 417 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,1,0,0,0,0|0,0,0]=2 418 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,1,0,0,0,0|0,0,1]=3 419 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,1,0,0,0,0|0,0,1]=3 420 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,1,0,0,0,0|0,0,1]=3 421 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,1,0,0,0,0|0,0,1]=3 422 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,1,0,0,0,0|0,0,1]=3 423 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,1,0,0,0,0|0,0,1]=3 424 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,1,0,0,0,0|1,0,1]=4 425 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,1,0,0,0,0|1,0,1]=4 426 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,1,0,0,0,0|1,0,0]=3 427 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,1,0,0,0,0|1,0,1]=4 428 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,1,0,0,0,0|0,0,0]=2 430 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [1,1,0,0,0,0|1,0,0]=3 431 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,1,0,0,0,0|0,0,0]=2 432 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [1,1,0,0,0,0|0,0,2]=4 433 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [1,1,0,0,0,0|0,0,2]=4 434 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|1,0,1]=4 435 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|0,0,0]=2 436 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [1,1,0,0,0,0|2,0,0]=4 437 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|0,0,0]=2 438 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [1,1,0,0,0,0|1,0,1]=4 439 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [1,1,0,0,0,0|1,0,0]=3 440 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [1,1,0,0,0,0|2,0,0]=4 441 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,1,0,0,0,0|1,0,0]=3 442 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,1,0,0,0,0|1,0,0]=3 443 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|1,0,1]=4 444 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [1,1,0,0,0,0|1,0,0]=3 446 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|0,0,0]=2 447 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|0,0,0]=2 448 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|0,0,0]=2 449 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|0,0,0]=2 450 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,1,0,0,0,0|1,0,1]=4 451 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,1,0,0,0,0|0,0,1]=3 452 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [1,1,0,0,0,0|1,0,0]=3 453 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [1,1,0,0,0,0|1,0,1]=4 454 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [1,1,0,0,0,0|1,0,0]=3 455 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [1,1,0,0,0,0|0,0,0]=2 456 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [1,1,0,0,0,0|1,0,1]=4 457 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [1,1,0,0,0,0|0,0,2]=4 458 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [1,1,0,0,0,0|1,0,0]=3 459 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [1,1,0,0,0,0|1,0,0]=3 460 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [1,1,0,0,0,0|1,0,1]=4 461 B9R0.3 CCCC[C@H](N)P(=O)(O)O CNP0507860.1 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [1,1,0,0,0,0|1,0,0]=3 464 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [1,1,0,0,0,0|1,0,1]=4 465 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [1,1,0,0,0,0|1,0,1]=4 466 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [1,1,0,0,0,0|1,0,0]=3 467 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [1,1,0,0,0,0|1,0,1]=4 472 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [1,1,0,0,0,0|0,0,1]=3 473 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [1,1,0,0,0,0|1,0,1]=4 475 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [1,1,0,0,0,0|1,0,0]=3 476 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [1,1,0,0,0,0|1,0,1]=4 478 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [1,1,0,0,0,0|1,0,0]=3 480 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [1,1,0,0,0,0|2,0,0]=4 481 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [1,1,0,0,0,0|1,0,0]=3 482 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [1,1,0,0,0,0|2,0,0]=4 483 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [1,1,0,0,0,0|2,0,0]=4 484 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [1,1,0,0,0,0|2,0,0]=4 487 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [1,1,0,0,0,0|2,0,0]=4 488 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [1,1,0,0,0,0|2,0,0]=4 490 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [1,1,0,0,0,0|2,0,0]=4 493 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [1,1,0,0,0,0|2,0,0]=4 494 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [1,1,0,0,0,0|1,0,1]=4 498 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [1,1,0,0,0,0|1,0,0]=3 499 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [1,1,0,0,0,0|1,0,0]=3 500 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [1,1,0,0,0,0|0,0,0]=2 501 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [1,1,0,0,0,0|0,0,0]=2 502 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [1,1,0,0,0,0|0,0,0]=2 503 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [1,1,0,0,0,0|0,0,0]=2 504 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [1,1,0,0,0,0|1,0,0]=3 505 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [1,1,0,0,0,0|1,0,1]=4 506 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [1,1,0,0,0,0|1,0,1]=4 507 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [1,1,0,0,0,0|1,0,1]=4 508 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [1,1,0,0,0,0|1,0,0]=3 509 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [1,1,0,0,0,0|1,0,0]=3 510 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [1,1,0,0,0,0|1,0,0]=3 511 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [1,1,0,0,0,0|2,0,0]=4 512 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [1,1,0,0,0,0|2,0,0]=4 513 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [1,1,0,0,0,0|2,0,0]=4 514 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [1,1,0,0,0,0|2,0,0]=4 516 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [1,1,0,0,0,0|2,0,0]=4 517 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [1,1,0,0,0,0|2,0,0]=4 518 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [1,1,0,0,0,0|2,0,0]=4 519 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [1,1,0,0,0,0|2,0,0]=4 520 B11R0.1 C=C(C)CC(C)CC(C)CCC CNP0549740.0 [0,1,0,0,0,1|2,0,0]=4 521 B11R0.1 CCC[C@@H](C)C[C@H](N)CC(=O)O CNP0510136.1 [0,1,0,0,0,1|1,0,0]=3 522 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [0,1,0,0,0,1|1,0,1]=4 523 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [0,1,0,0,0,1|1,0,1]=4 524 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [0,1,0,0,0,1|1,0,1]=4 525 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [0,1,0,0,0,1|1,0,1]=4 526 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [0,1,0,0,0,1|2,0,0]=4 527 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [0,1,0,0,0,1|1,0,0]=3 528 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [0,1,0,0,0,1|1,0,0]=3 529 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [0,1,0,0,0,1|1,0,0]=3 530 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C CNP0402865.1 [0,1,0,0,0,1|0,0,2]=4 531 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C CNP0402865.2 [0,1,0,0,0,1|0,0,2]=4 532 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [0,1,0,0,0,1|1,0,0]=3 533 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [0,1,0,0,0,1|1,0,1]=4 534 B11R0.68 CCCC[C@H](O)[C@@H](C)CC(=O)O CNP0548280.1 [0,1,0,0,0,1|0,0,0]=2 535 B11R0.77 C=CC(CCCCC)CC(=O)O CNP0535039.0 [0,1,0,0,0,1|0,0,1]=3 536 B11R0.77 C=C[C@@H](CCCCC)OC(=O)C CNP0392840.2 [0,1,0,0,0,1|1,0,1]=4 537 B11R0.77 C=C[C@H](CCCCC)OC(=O)C CNP0392840.1 [0,1,0,0,0,1|1,0,1]=4 538 B11R0.77 CCCCC[C@@H](CC)OC(=O)C CNP0232221.2 [0,1,0,0,0,1|1,0,0]=3 539 B11R0.77 CCCCC[C@H](CC)OC(=O)C CNP0232221.1 [0,1,0,0,0,1|1,0,0]=3 540 B11R0.139 CCCCCC(O)C(O)C(=O)O CNP0086711.0 [0,1,0,0,0,1|1,0,0]=3 541 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [0,1,0,0,0,1|1,0,0]=3 542 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [0,1,0,0,0,1|1,0,0]=3 543 B11R0.33 CC(C)CC(=O)N[C@@H](C)C(=O)O CNP0083830.1 [0,2,0,0,0,0|1,0,1]=4 544 B11R0.33 CC(CC(=O)O)CC(C)C(=O)O CNP0084063.0 [0,2,0,0,0,0|1,0,1]=4 545 B11R0.33 C[S+](C)CC(O)CC(N)C(=O)O CNP0271154.0 [0,2,0,0,0,0|2,0,0]=4 546 B11R0.117 O=C(O)[C@@H](O)C[C@@H](O)[C@H](O)CO CNP0205149.2 [0,2,0,0,0,0|2,0,0]=4 547 B11R0.117 O=C(O)[C@@H](O)C[C@H](O)[C@H](O)CO CNP0205149.1 [0,2,0,0,0,0|2,0,0]=4 548 B11R0.163 CCCC[C@H](C)/C=C(\C)/C(=O)O CNP0121150.1 [0,2,0,0,0,0|0,0,1]=3 549 B11R0.163 CCCC[S+]([O-])C[C@@H](N)C(=O)O CNP0549891.2 [0,2,0,0,0,0|1,0,0]=3 550 B11R0.163 CCCC[S+]([O-])C[C@H](N)C(=O)O CNP0549891.1 [0,2,0,0,0,0|1,0,0]=3 551 B11R0.163 CCCC[S@+]([O-])C[C@H](N)C(=O)O CNP0549891.4 [0,2,0,0,0,0|1,0,0]=3 552 B11R0.163 CCCC[S@@+]([O-])C[C@H](N)C(=O)O CNP0549891.3 [0,2,0,0,0,0|1,0,0]=3 553 B11R0.163 CCCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0604446.1 [0,2,0,0,0,0|1,0,0]=3 554 B11R0.187 CCC[C@H](C)C[C@@H](C)C(=O)OC CNP0161963.1 [0,2,0,0,0,0|0,0,0]=2 555 B11R0.187 CCC[C@H](C)C[C@H](C)C(=O)CC CNP0288196.1 [0,2,0,0,0,0|1,0,0]=3 556 B11R0.202 CC(=O)C(C)(C)CCC[C@H](C)O CNP0130558.1 [0,2,0,0,0,0|1,0,0]=3 557 B11R0.202 CC(=O)CCCC(C)(C)C(=O)C CNP0612162.0 [0,2,0,0,0,0|1,0,1]=4 558 B11R0.202 CC(=O)CCCC(C)(C)C(=O)O CNP0186044.0 [0,2,0,0,0,0|0,0,1]=3 559 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O CNP0237359.1 [0,2,0,0,0,0|1,0,1]=4 560 B11R0.29 CC(=O)NCCC[C@@H](O)C(=O)O CNP0256684.1 [0,2,0,0,0,0|1,0,1]=4 561 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [0,2,0,0,0,0|1,0,1]=4 562 B11R0.29 CC(C)CCCC[C@H](N)C(=O)O CNP0257008.1 [0,2,0,0,0,0|1,0,0]=3 563 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O CNP0190712.1 [0,2,0,0,0,0|1,0,0]=3 564 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,2,0,0,0,0|1,0,0]=3 565 B11R0.29 N=C(N)CCCC[C@H](N)C(=O)O CNP0377487.1 [0,2,0,0,0,0|1,0,1]=4 566 B11R0.29 NC(N)NCCC[C@H](N)C(=O)O CNP0178652.1 [0,2,0,0,0,0|2,0,0]=4 567 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CNP0196777.1 [0,2,0,0,0,0|1,0,1]=4 568 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O CNP0196777.2 [0,2,0,0,0,0|1,0,1]=4 569 B11R0.29 O=C(O)CCCC[C@H](O)C(=O)O CNP0228172.1 [0,2,0,0,0,0|1,0,1]=4 570 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [0,2,0,0,0,0|1,0,0]=3 571 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [0,2,0,0,0,0|1,0,0]=3 572 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [0,2,0,0,0,0|1,0,1]=4 573 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,2,0,0,0,0|1,0,0]=3 574 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,2,0,0,0,0|1,0,0]=3 575 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,2,0,0,0,0|0,0,0]=2 576 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,2,0,0,0,0|1,0,0]=3 577 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,2,0,0,0,0|1,0,0]=3 578 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [0,2,0,0,0,0|1,0,1]=4 579 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,2,0,0,0,0|1,0,0]=3 580 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,2,0,0,0,0|1,0,0]=3 581 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [0,2,0,0,0,0|1,0,0]=3 582 B11R0.76 CCCCCCC(CC)C(=O)C CNP0533246.0 [0,2,0,0,0,0|1,0,0]=3 583 B11R0.109 CC[C@H](C)CCC[C@@H](C)C(=O)O CNP0357116.1 [0,2,0,0,0,0|0,0,0]=2 584 B11R0.141 CCCC(=O)SC[C@H](N)C(=O)O CNP0511063.1 [0,2,0,0,0,0|1,0,1]=4 585 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O CNP0109625.1 [0,2,0,0,0,0|1,0,1]=4 586 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [0,2,0,0,0,0|1,0,0]=3 587 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [0,2,0,0,0,0|1,0,0]=3 588 B11R0.90 CC=C(CCC(C)CC)C(=O)O CNP0561486.0 [0,2,0,0,0,0|0,0,1]=3 589 B11R0.150 CC(=O)C(N)CC[C@H](N)C(=O)O CNP0501029.1 [0,2,0,0,0,0|1,0,1]=4 590 B11R0.150 C[C@H](CC[C@H](C)C(=O)O)C(=O)O CNP0271100.1 [0,2,0,0,0,0|1,0,1]=4 591 B11R0.75 CCCCCC(CC)C(=O)OC CNP0271120.0 [0,2,0,0,0,0|0,0,0]=2 592 B11R0.145 CC[C@H](O)[C@H](C)CCC[C@H](C)O CNP0407566.1 [0,2,0,0,0,0|1,0,1]=4 593 B11R0.153 CCCCCC(C(=O)O)C(=O)O CNP0584632.0 [0,2,0,0,0,0|0,0,1]=3 594 B11R0.273 CCC(CCCC(=O)O)C(=O)O CNP0180760.0 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [1,0,0,1,0,0|1,0,1]=4 596 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [1,0,0,1,0,0|1,0,1]=4 597 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [1,0,0,1,0,0|1,0,1]=4 598 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [1,0,0,1,0,0|0,0,0]=2 599 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [1,0,0,1,0,0|1,0,1]=4 600 B9R1.3 CN1CCCN(C1=O)C CNP0493752.0 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [1,0,0,1,0,0|0,0,1]=3 602 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [1,0,0,1,0,0|1,0,1]=4 604 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [1,0,0,1,0,0|1,0,1]=4 605 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|0,0,0]=2 606 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|1,0,0]=3 607 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,1,0,0|1,0,1]=4 609 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 610 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|1,0,1]=4 612 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [1,0,0,1,0,0|1,0,1]=4 613 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [1,0,0,1,0,0|1,0,1]=4 614 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,1,0,0|1,0,0]=3 615 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,1,0,0|2,0,0]=4 616 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,1,0,0|1,0,0]=3 617 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [1,0,0,1,0,0|2,0,0]=4 618 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [1,0,0,1,0,0|2,0,0]=4 619 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,1,0,0|1,0,0]=3 620 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [1,0,0,1,0,0|0,0,2]=4 621 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [1,0,0,1,0,0|1,0,1]=4 622 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|0,0,0]=2 623 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,1,0,0|1,0,0]=3 624 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,1,0,0|1,0,1]=4 625 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|1,0,0]=3 626 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,1,0,0|1,0,0]=3 627 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [1,0,0,1,0,0|2,0,0]=4 628 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,1,0,0|0,0,2]=4 630 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|1,0,0]=3 631 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,1,0,0|1,0,0]=3 632 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [1,0,0,1,0,0|2,0,0]=4 633 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|1,0,0]=3 634 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [1,0,0,1,0,0|2,0,0]=4 635 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,1,0,0|2,0,0]=4 636 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,1,0,0|2,0,0]=4 637 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|0,0,0]=2 638 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|1,0,0]=3 639 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|0,0,2]=4 640 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,1,0,0|1,0,0]=3 641 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|0,0,2]=4 642 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [1,0,0,1,0,0|1,0,0]=3 643 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|0,0,0]=2 645 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|0,0,0]=2 646 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [1,0,0,1,0,0|2,0,0]=4 647 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|1,0,0]=3 648 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [1,0,0,1,0,0|2,0,0]=4 649 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [1,0,0,1,0,0|2,0,0]=4 650 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|1,0,0]=3 651 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [1,0,0,1,0,0|2,0,0]=4 652 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [1,0,0,1,0,0|2,0,0]=4 653 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [1,0,0,1,0,0|2,0,0]=4 654 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [1,0,0,1,0,0|2,0,0]=4 655 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [1,0,0,1,0,0|2,0,0]=4 656 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [1,0,0,1,0,0|2,0,0]=4 657 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [1,0,0,1,0,0|2,0,0]=4 658 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|1,0,0]=3 659 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|0,0,0]=2 660 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|1,0,1]=4 661 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|0,0,0]=2 662 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [1,0,0,1,0,0|1,0,1]=4 663 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [1,0,0,1,0,0|2,0,0]=4 664 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [1,0,0,1,0,0|1,0,0]=3 665 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [1,0,0,1,0,0|0,0,0]=2 666 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [1,0,0,1,0,0|1,0,0]=3 667 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [1,0,0,1,0,0|1,0,0]=3 668 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [1,0,0,1,0,0|1,0,0]=3 669 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [1,0,0,1,0,0|1,0,0]=3 670 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [1,0,0,1,0,0|1,0,0]=3 671 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [1,0,0,1,0,0|1,0,0]=3 672 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [1,0,0,1,0,0|2,0,0]=4 673 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [1,0,0,1,0,0|2,0,0]=4 674 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [1,0,0,1,0,0|2,0,0]=4 675 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [1,0,0,1,0,0|2,0,0]=4 676 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [1,0,0,1,0,0|2,0,0]=4 677 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [1,0,0,1,0,0|2,0,0]=4 678 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [1,0,0,1,0,0|0,0,0]=2 679 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [1,0,0,1,0,0|0,0,0]=2 680 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [1,0,0,1,0,0|0,0,0]=2 681 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [1,0,0,1,0,0|1,0,0]=3 682 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [1,0,0,1,0,0|1,0,0]=3 683 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [1,0,0,1,0,0|1,0,0]=3 684 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [1,0,0,1,0,0|1,0,0]=3 685 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [1,0,0,1,0,0|1,0,0]=3 686 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [1,0,0,1,0,0|1,0,0]=3 687 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [1,0,0,1,0,0|2,0,0]=4 688 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [1,0,0,1,0,0|1,0,0]=3 689 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [1,0,0,1,0,0|1,0,0]=3 690 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [1,0,0,1,0,0|2,0,0]=4 694 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,0,0,1,0,1|1,0,1]=4 695 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,0,0,1,0,1|1,0,0]=3 696 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,0,0,1,0,1|1,0,0]=3 697 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,0,0,1,0,1|1,0,1]=4 698 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,0,0,1,0,1|1,0,0]=3 699 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,0,0,1,0,1|1,0,1]=4 700 B11R1.77 C[C@@H](CC(=O)O)[C@@H]1CCCO1 CNP0360838.3 [0,0,0,1,0,1|1,0,0]=3 701 B11R1.77 C[C@@H](CC(=O)O)[C@H]1CCCO1 CNP0360838.2 [0,0,0,1,0,1|1,0,0]=3 702 B11R1.77 C[C@H](CC(=O)O)[C@@H]1CCCO1 CNP0360838.1 [0,0,0,1,0,1|1,0,0]=3 703 B11R1.77 C[C@H](CC(=O)O)[C@H]1CCCO1 CNP0360838.4 [0,0,0,1,0,1|1,0,0]=3 704 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,0,0,1,0,1|2,0,0]=4 705 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,0,0,1,0,1|2,0,0]=4 706 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,0,0,1,0,1|2,0,0]=4 707 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,0,0,1,0,1|2,0,0]=4 708 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,0,0,1,0,1|2,0,0]=4 709 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,0,0,1,0,1|2,0,0]=4 710 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,0,0,1,0,1|1,0,0]=3 711 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,0,0,1,0,1|1,0,0]=3 712 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,0,0,1,0,1|1,0,0]=3 713 B11R1.157 C[C@@H]1C=C(CCC1)CC(=O)O CNP0142469.1 [0,0,0,1,0,1|0,0,2]=4 714 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,0,0,1,0,1|1,0,0]=3 715 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,0,0,1,0,1|1,0,1]=4 716 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,0,0,1,0,1|0,0,0]=2 717 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,0,0,1,0,1|0,0,0]=2 718 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,0,0,1,0,1|0,0,0]=2 719 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,0,0,1,0,1|0,0,0]=2 720 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,0,0,1,0,1|1,0,0]=3 721 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,0,0,1,0,1|1,0,0]=3 722 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [0,0,0,1,0,1|0,0,0]=2 723 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,0,0,1,0,1|1,0,0]=3 724 B11R1.928 C[N+]1(CCCCC1)CC(=O)[O-] CNP0083853.0 [0,0,0,1,0,1|1,0,1]=4 725 B11R1.928 NC1(CCOCC1)CC(=O)O CNP0399325.0 [0,0,0,1,0,1|2,0,0]=4 726 B11R1.928 NC1(CCSCC1)CC(=O)O CNP0257879.0 [0,0,0,1,0,1|2,0,0]=4 727 B11R1.35 N[C@H](CC1CCCC1)C(=O)O CNP0066983.1 [0,1,0,1,0,0|1,0,0]=3 728 B11R1.48 CC[C@@H]1CN(C[C@@H]1C)C(=O)N CNP0096058.1 [0,1,0,1,0,0|2,0,0]=4 729 B11R1.48 CC[C@@H]1CN(C[C@H]1C)C(=O)N CNP0096058.2 [0,1,0,1,0,0|2,0,0]=4 730 B11R1.48 CC[C@H]1CN(C[C@@H]1C)C(=O)N CNP0096058.3 [0,1,0,1,0,0|2,0,0]=4 731 B11R1.48 CC[C@H]1CN(C[C@H]1C)C(=O)N CNP0096058.4 [0,1,0,1,0,0|2,0,0]=4 732 B11R1.48 O=C(O)[C@@H]1C[C@@H]([C@H](N1)CO)O CNP0371477.1 [0,1,0,1,0,0|2,0,0]=4 733 B11R1.74 C[C@@H]1C[S@+](C[C@H](N1)C(=O)O)[O-] CNP0570484.3 [0,1,0,1,0,0|2,0,0]=4 734 B11R1.74 C[C@@H]1C[S@H+](C[C@H](N1)C(=O)O)[O-] CNP0509943.2 [0,1,0,1,0,0|2,0,0]=4 735 B11R1.74 C[C@H]1C[S+](C[C@H](N1)C(=O)O)[O-] CNP0570484.2 [0,1,0,1,0,0|2,0,0]=4 736 B11R1.74 C[C@H]1C[S@+](C[C@H](N1)C(=O)O)[O-] CNP0570484.1 [0,1,0,1,0,0|2,0,0]=4 737 B11R1.74 C[C@H]1C[S@H+](C[C@H](N1)C(=O)O)[O-] CNP0509943.1 [0,1,0,1,0,0|2,0,0]=4 738 B11R1.124 C/C=C/[C@H]1CN[C@@H](C1)C(=O)O CNP0436033.1 [0,1,0,1,0,0|0,0,2]=4 739 B11R1.277 CC[C@@H]1OC(=O)[C@@H](C[C@H]1C)C CNP0145697.1 [0,1,0,1,0,0|0,0,0]=2 740 B11R1.277 CC[C@H]1OC(=O)[C@@H](C[C@H]1C)C CNP0145697.2 [0,1,0,1,0,0|0,0,0]=2 741 B11R1.277 O=C1OC(C(CC1O)O)CO CNP0597288.0 [0,1,0,1,0,0|2,0,0]=4 742 B11R1.667 C[C@@H]1CCC[C@@](C1)(N)C(=O)O CNP0546770.4 [0,1,0,1,0,0|0,0,0]=2 743 B11R1.667 C[C@@H]1CCC[C@](C1)(N)C(=O)O CNP0546770.3 [0,1,0,1,0,0|0,0,0]=2 744 B11R1.667 C[C@H]1CCC[C@@](C1)(N)C(=O)O CNP0546770.1 [0,1,0,1,0,0|0,0,0]=2 745 B11R1.667 C[C@H]1CCC[C@](C1)(N)C(=O)O CNP0546770.2 [0,1,0,1,0,0|0,0,0]=2 746 B11R1.173 CC(C)(C(=O)O)N1CCCC1 CNP0564721.0 [0,1,0,1,0,0|1,0,0]=3 747 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,1,0,0|0,0,0]=2 748 B11R1.36 C[C@@H](C(=O)O)C1=CCCCC1 CNP0363942.1 [0,1,0,1,0,0|0,0,1]=3 749 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,1,0,0|1,0,0]=3 750 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,1,0,0|1,0,0]=3 751 B11R1.36 N[C@H](C(=O)O)[C@@H]1CC=CCC1 CNP0213115.1 [0,1,0,1,0,0|1,0,1]=4 752 B11R1.36 O=C(O)C(O)[C@H]1CC=CCC1 CNP0339850.1 [0,1,0,1,0,0|1,0,1]=4 753 B11R1.231 CCCCC1=NN(C(=O)O1)C CNP0345142.0 [0,1,0,1,0,0|1,0,1]=4 754 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O CNP0128045.2 [0,1,0,1,0,0|1,0,0]=3 755 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O CNP0128045.1 [0,1,0,1,0,0|1,0,0]=3 756 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,1,0,1,0,0|1,0,0]=3 757 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,1,0,1,0,0|1,0,0]=3 758 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,1,0,1,0,0|1,0,0]=3 759 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,1,0,1,0,0|1,0,0]=3 760 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|0,0,1]=3 761 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|0,0,1]=3 762 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0104577.2 [0,1,0,1,0,0|2,0,0]=4 763 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O CNP0104577.1 [0,1,0,1,0,0|2,0,0]=4 764 B11R1.167 CN1CC[C@@H](C[C@H]1C(=O)O)O CNP0239748.2 [0,1,0,1,0,0|2,0,0]=4 765 B11R1.167 CN1CC[C@H](C[C@H]1C(=O)O)O CNP0239748.1 [0,1,0,1,0,0|2,0,0]=4 766 B11R1.186 CCCC1CC(=C(C1=O)O)C CNP0333773.0 [0,1,0,1,0,0|0,0,1]=3 767 B11R1.186 CCCC1OC(=C(C1=O)O)C CNP0442329.0 [0,1,0,1,0,0|1,0,1]=4 768 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [0,1,0,1,0,0|2,0,0]=4 769 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O CNP0204071.1 [0,1,0,1,0,0|1,0,0]=3 770 B11R1.21 C=C(C)C1C=C(C(CC1)C)O CNP0095337.0 [0,1,0,1,0,0|1,0,1]=4 771 B11R1.21 C=C(C)C1CC[C@H](C(=O)C1)C CNP0183834.2 [0,1,0,1,0,0|1,0,1]=4 772 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C(=O)C1)C CNP0183834.4 [0,1,0,1,0,0|1,0,1]=4 773 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C CNP0183834.1 [0,1,0,1,0,0|1,0,1]=4 774 B11R1.21 C=C(C)[C@H]1CC[C@@H](C(=O)C1)C CNP0183834.5 [0,1,0,1,0,0|1,0,1]=4 775 B11R1.21 C=C(C)[C@H]1CC[C@H](C(=O)C1)C CNP0183834.3 [0,1,0,1,0,0|1,0,1]=4 776 B11R1.21 CC(C)C1=CC(=O)[C@H](CC1)C CNP0214671.1 [0,1,0,1,0,0|1,0,1]=4 777 B11R1.21 CC(C)[C@@H]1C=C([C@@H](CC1)C)O CNP0560097.1 [0,1,0,1,0,0|1,0,0]=3 778 B11R1.21 CC(C)[C@@H]1CC[C@@H]([C@H](C1)O)C CNP0166770.2 [0,1,0,1,0,0|1,0,1]=4 779 B11R1.21 CC(C)[C@@H]1CC[C@H]([C@H](C1)O)C CNP0166770.3 [0,1,0,1,0,0|1,0,1]=4 780 B11R1.21 CC(C)[C@H]1CC[C@@H](C(=O)C1)C CNP0191922.1 [0,1,0,1,0,0|1,0,0]=3 781 B11R1.21 CC(C)[C@H]1CC[C@@H]([C@H](C1)O)C CNP0166770.1 [0,1,0,1,0,0|1,0,1]=4 782 B11R1.21 CC(C)[C@H]1CC[C@H](C(=O)C1)C CNP0191922.2 [0,1,0,1,0,0|1,0,0]=3 783 B11R1.21 CC(C)[C@H]1CC[C@H]([C@H](C1)O)C CNP0166770.4 [0,1,0,1,0,0|1,0,1]=4 784 B11R1.21 C[C@@H]1N[C@@H](CC[C@@H]1O)C(=O)O CNP0279818.2 [0,1,0,1,0,0|1,0,0]=3 785 B11R1.21 C[C@@H]1N[C@@H](CC[C@H]1O)C(=O)O CNP0279818.1 [0,1,0,1,0,0|1,0,0]=3 786 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@@H](CN1)O)O CNP0196662.2 [0,1,0,1,0,0|2,0,0]=4 787 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@H](CN1)O)O CNP0196662.1 [0,1,0,1,0,0|2,0,0]=4 788 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0518569.1 [0,1,0,1,0,0|2,0,0]=4 789 B11R1.21 O=C(O)[C@@H]1C[C@H]([C@@H](CN1)O)O CNP0196662.4 [0,1,0,1,0,0|2,0,0]=4 790 B11R1.21 O=C(O)[C@@H]1C[C@H]([C@H](CN1)O)O CNP0196662.3 [0,1,0,1,0,0|2,0,0]=4 791 B11R1.220 CC1CCC(CC1)(N)C(=O)O CNP0542248.0 [0,1,0,1,0,0|1,0,0]=3 792 B11R1.220 NC1(CCC(=O)CC1)C(=O)O CNP0121063.0 [0,1,0,1,0,0|1,0,1]=4 793 B11R1.1270 CN1C(=O)CC[C@@]1(C)C(=O)O CNP0505125.2 [0,1,0,1,0,0|1,0,1]=4 794 B11R1.1270 CN1C(=O)CC[C@]1(C)C(=O)O CNP0505125.1 [0,1,0,1,0,0|1,0,1]=4 795 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C CNP0201885.1 [0,1,0,1,0,0|1,0,0]=3 796 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O CNP0041469.1 [0,1,0,1,0,0|2,0,0]=4 797 B11R1.23 COC(=O)[C@H]1CCCN(C1)C CNP0201885.2 [0,1,0,1,0,0|1,0,0]=3 798 B11R1.31 CCC(=O)C(C)N1CCCC1 CNP0382793.0 [0,1,0,1,0,0|2,0,0]=4 799 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,1,0,1,0,0|1,0,1]=4 800 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|1,0,0]=3 801 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|0,0,0]=2 802 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,1,0,1,0,0|1,0,0]=3 803 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,1,0,1,0,0|1,0,0]=3 804 B11R1.878 COC(=O)C1(CCNCC1)N CNP0567140.0 [0,1,0,1,0,0|2,0,0]=4 805 B11R1.878 COC(=O)C1(CCSCC1)N CNP0481809.0 [0,1,0,1,0,0|2,0,0]=4 806 B11R1.159 O=C(O)C1NCCC(C1O)O CNP0528572.0 [0,1,0,1,0,0|2,0,0]=4 807 B11R1.298 CCC(C(=O)C)N1CCCC1 CNP0318500.0 [0,1,0,1,0,0|2,0,0]=4 808 B11R1.1074 CNC1(CCCCC1)C(=O)O CNP0498429.0 [0,1,0,1,0,0|0,0,0]=2 809 B11R1.1074 CNC1(CCOCC1)C(=O)O CNP0487299.0 [0,1,0,1,0,0|1,0,0]=3 810 B11R1.1074 CNC1(CCSCC1)C(=O)O CNP0599231.0 [0,1,0,1,0,0|1,0,0]=3 811 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,1,0,1,0,0|0,0,1]=3 812 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,1,0,1,0,0|0,0,1]=3 813 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,1,0,1,0,0|0,0,1]=3 814 B11R1.80 CC(C)C[C@H]1C[C@@H](C(=O)O1)O CNP0356426.1 [0,1,0,1,0,0|1,0,0]=3 815 B11R1.730 C=C(C)[C@@H]1CCC[C@@](C1)(C)O CNP0184664.2 [0,1,0,1,0,0|2,0,0]=4 816 B11R1.730 C=C(C)[C@H]1CCC[C@@](C1)(C)O CNP0184664.1 [0,1,0,1,0,0|2,0,0]=4 817 B11R1.730 CC1(C[C@@H](CCO1)C(=O)O)C CNP0383185.1 [0,1,0,1,0,0|1,0,0]=3 818 B11R1.730 CC1(C[C@H](CCO1)C(=O)O)C CNP0383185.2 [0,1,0,1,0,0|1,0,0]=3 819 B11R1.1386 CC1(CCC[C@]1(C)C(=O)O)C CNP0129719.1 [0,1,0,1,0,0|0,0,0]=2 820 B11R2.204 C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@]1(C)O CNP0164307.2 [0,0,0,2,0,0|1,0,1]=4 821 B11R2.204 C[C@H]1[C@H]2CC[C@H](C2)[C@]1(C)O CNP0164307.1 [0,0,0,2,0,0|1,0,1]=4 822 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,2,0,0|0,0,0]=2 823 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,2,0,0|0,0,0]=2 824 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,2,0,0|0,0,0]=2 825 B11R2.1775 C[C@@H]1[C@@H]2CC[C@]1([C@@H](C2)O)C CNP0311859.1 [0,0,0,2,0,0|1,0,1]=4 826 B11R2.1775 C[C@@H]1[C@H]2CC[C@@]1(C(=O)C2)C CNP0145932.2 [0,0,0,2,0,0|1,0,0]=3 827 B11R2.1775 C[C@H]1[C@@H]2CC[C@]1(C(=O)C2)C CNP0145932.1 [0,0,0,2,0,0|1,0,0]=3 828 B11R2.1775 C[C@H]1[C@H]2CC[C@@]1([C@@H](C2)O)C CNP0311859.2 [0,0,0,2,0,0|1,0,1]=4 829 B11R2.538 CC1C(=O)C2C1CCN2C CNP0344754.0 [0,0,0,2,0,0|2,0,0]=4 830 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [0,0,0,0,0,2|1,0,1]=4 831 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,0,0,0,0,2|1,0,1]=4 832 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [0,0,0,0,0,2|1,0,1]=4 833 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [0,0,0,0,0,2|0,0,0]=2 834 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [0,0,0,0,0,2|1,0,0]=3 835 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [0,0,0,0,0,2|1,0,0]=3 836 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [0,0,0,0,0,2|1,0,0]=3 837 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [0,0,0,0,0,2|1,0,0]=3 838 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [0,0,0,0,0,2|1,0,0]=3 839 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [0,0,0,0,0,2|2,0,0]=4