0 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,0|0,0,0]=0 19 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,0,0|1,0,1]=2 28 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.6 O=C(O)CN[N+](=O)[O-] CNP0570107.0 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|0,0,2]=3 49 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|0,0,2]=3 52 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|0,0,3]=4 53 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,0,0,0,0,0|0,0,2]=3 62 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,0,0,0,0|0,0,1]=2 66 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,0,0,0,0,0|1,1,1]=4 67 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(C)CSC#N CNP0268195.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 CC(C)NCCN CNP0082470.0 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(C)NCCO CNP0141461.0 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CC(C)OCCO CNP0079907.0 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|0,0,2]=3 75 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|0,0,2]=3 79 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|0,0,0]=1 84 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|0,0,0]=1 86 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 CCNCC(C)C CNP0165310.0 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,0]=2 96 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 CCSCC(C)C CNP0208462.0 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,0]=2 99 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|1,0,0]=2 106 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,0,0,0,0,0|2,0,1]=4 120 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,1,0,0,0,0|1,0,1]=3 124 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,1,0,0,0,0|1,0,1]=3 125 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,1,0,0,0,0|1,0,1]=3 142 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,0,0,0,0|1,0,1]=3 144 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|0,0,2]=3 145 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,0,0,0,0|1,0,2]=4 148 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|0,0,2]=3 149 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|0,0,0]=1 150 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,1,0,0,0,0|2,1,0]=4 151 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,1,0,0,0,0|2,1,0]=4 152 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|0,0,2]=3 154 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|0,0,0]=1 158 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|0,1,0]=2 160 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,1,0,0,0,0|1,0,1]=3 161 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.9 O=C(O)CCC(=O)NO CNP0136196.0 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,0,0,0,0|1,0,0]=2 170 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,0|0,0,1]=2 172 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,0|0,0,2]=3 175 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,0|0,0,2]=3 176 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,0|1,0,0]=2 178 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,0|1,0,2]=4 180 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,0,0|1,0,1]=3 181 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,1,0,0,0,0|1,0,1]=3 183 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,1,0,0,0,0|1,0,1]=3 187 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,0|0,0,1]=2 191 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,1,0,0,0,0|1,0,2]=4 192 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,0,0|0,0,0]=1 194 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,0,0|0,0,0]=1 195 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,0,0|0,0,0]=1 198 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,0,0|0,0,0]=1 199 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,0|0,0,0]=1 200 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,0|0,0,0]=1 201 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|1,0,1]=3 203 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.23 CN(CC(=O)O)C(N)N CNP0559607.0 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,0,0,0,0|1,0,0]=2 208 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,0,0,0,0|1,0,0]=2 210 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,0,0,0,0|1,0,0]=2 211 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,0,0,0,0|1,0,0]=2 212 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.23 O=C([O-])CC(O)C(=O)O CNP0534895.0 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,1,0,0,0,0|0,0,2]=3 249 B8R0.29 CN(C)CCP(=O)(O)O CNP0185687.0 [0,1,0,0,0,0|2,0,0]=3 250 B8R0.29 CN(C)CCS(=O)(=O)O CNP0155138.0 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [0,1,0,0,0,0|1,0,1]=3 253 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [0,1,0,0,0,0|1,0,1]=3 254 B8R0.29 O=C(O)CCP(=O)(O)O CNP0502443.0 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.29 O=C(O)CCS(=O)(=O)O CNP0551286.0 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,0|1,0,2]=4 257 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,0|1,0,0]=2 258 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,0,0,1,0,0|1,1,1]=4 262 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,0,1,0,0|1,0,1]=3 264 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,0,0,1,0,0|2,0,1]=4 265 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|1,0,1]=3 267 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,0,0,1,0,0|0,0,2]=3 268 B8R1.35 CC(C)OCC1CO1 CNP0071169.0 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,0,0,1,0,0|0,0,2]=3 271 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [0,0,0,1,0,0|1,1,0]=3 272 B8R1.51 CC1(CNC(=S)O1)C CNP0263248.0 [0,0,0,1,0,0|1,1,0]=3 273 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,0,0,1,0,0|1,0,1]=3 276 B8R1.51 CC1COC(O1)(C)C CNP0082638.0 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.51 O=S1(=O)CCC(C1)Br CNP0280858.0 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|1,0,0]=2 280 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,1,0|1,0,2]=4 281 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,1,0|1,0,2]=4 282 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,1,0|1,0,2]=4 283 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,1,0|1,0,2]=4 284 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,1,0|1,0,2]=4 285 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,1,0|0,0,2]=3 286 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,1,0|1,0,2]=4 287 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,1,0|2,0,1]=4 288 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,1,0|1,0,2]=4 289 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,1,0|2,0,1]=4 290 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,1,0|1,0,2]=4 291 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,1,0|2,0,1]=4 292 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,1,0|2,0,1]=4 293 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,1,0|1,0,1]=3 294 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,1,0|1,0,0]=2 295 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,1,0|2,0,0]=3 296 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,1,0|2,0,0]=3 297 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,1,0|2,0,0]=3 298 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,1,0|2,1,0]=4 299 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,1,0|1,0,0]=2 300 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,0,0,1,0|2,0,1]=4 301 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,1,0|1,0,1]=3 302 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,1,0|2,0,1]=4 303 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,0,0,1,0|2,0,1]=4 304 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,0,0,1,0|2,0,1]=4 305 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,1,0|2,0,0]=3 306 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,0,0,0,1,0|2,1,0]=4 307 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,0,0,1,0|3,0,0]=4 308 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,1,0|2,0,0]=3 309 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,1,0|2,0,0]=3 310 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,1,0|2,0,0]=3 311 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,1,0|1,0,0]=2 312 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,1,0|1,0,0]=2 313 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,1,0|1,0,0]=2 314 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,0,0,0,1,0|2,0,1]=4 315 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,1,0|1,0,0]=2 316 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,1,0|1,0,0]=2 317 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,1,0|0,0,0]=1 318 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,1,0|0,0,1]=2 319 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,1,0|1,0,0]=2 320 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,1,0|1,0,1]=3 321 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,1,0|2,0,1]=4 322 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,1,0|2,0,1]=4 323 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,0,0,0,0,1|2,0,1]=4 324 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,1|1,0,2]=4 325 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,0,0,0,0,1|3,0,0]=4 326 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,1|1,0,2]=4 327 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,0,0,0,0,1|1,0,2]=4 328 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,0,0,0,0,1|1,0,2]=4 329 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,0,0,0,0,1|1,0,2]=4 330 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,0,0,0,0,1|1,0,1]=3 331 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,1|1,0,1]=3 332 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,1|2,0,1]=4 333 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,0,1|1,0,1]=3 334 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,0,0,0,1|1,0,0]=2 335 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,1|2,0,1]=4 336 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,0,1|1,0,1]=3 337 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,0,0,0,1|1,0,0]=2 338 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,1|1,0,2]=4 339 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,1|1,0,0]=2 340 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,0,0,0,1|2,0,0]=3 341 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,1|1,0,2]=4 342 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,0,0,0,0,1|1,1,0]=3 343 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,1|0,0,1]=2 344 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,0,0,0,1|1,0,0]=2 345 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,0,1|0,0,0]=1 346 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,0,0,0,1|0,1,0]=2 347 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,0,0,0,0,1|2,0,1]=4 348 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,0,0,0,0,1|2,0,1]=4 349 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,0,0,0,0,1|2,0,1]=4 350 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,0,0,0,0,1|1,0,1]=3 351 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,0,0,0,0,1|2,0,1]=4 352 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [0,0,0,0,0,1|2,0,1]=4 353 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,0,0,0,0,1|2,0,1]=4 354 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,0,0,0,1|1,0,1]=3 355 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,0,0,0,0,1|2,0,1]=4 356 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,0,0,0,1|1,0,0]=2 357 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,0,1|1,0,0]=2 358 B8R0.28 C[C@H](O)CCNC(=S)N CNP0153742.1 [0,0,0,0,0,1|2,1,0]=4 359 B8R0.28 N=C(N)NCCC(=O)O CNP0480617.0 [0,0,0,0,0,1|2,0,1]=4 360 B8R0.28 NC(=NCCC(=O)O)N CNP0139818.0 [0,0,0,0,0,1|2,0,1]=4 361 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,0,0,0,0,1|2,0,1]=4 362 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,0,0,0,1|2,0,1]=4 363 B8R0.28 O=C(O)CCO[N+](=O)[O-] CNP0488226.0 [0,0,0,0,0,1|3,0,0]=4 364 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,0,0,0,1|2,0,1]=4 365 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,0,1|2,0,1]=4 366 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,0,0,0,1|2,0,1]=4 367 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 368 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|0,0,2]=4 370 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 372 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|0,0,1]=3 373 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.1 C=COC(C)C CNP0491165.0 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|0,0,2]=4 376 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|0,0,2]=4 377 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,1]=3 380 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|1,0,1]=4 381 B5R0.1 CC(C)CC#N CNP0003467.0 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,0]=2 383 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,0]=2 385 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|0,1,0]=3 386 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 CC(C)N=C=O CNP0495487.0 [2,0,0,0,0,0|1,0,1]=4 388 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|1,1,0]=4 390 B5R0.1 CC(S)CCS CNP0003105.0 [2,0,0,0,0,0|1,1,0]=4 391 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 392 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 397 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 398 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|0,0,1]=3 399 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 401 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 402 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 CCSC(C)C CNP0254931.0 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.1 CN(C)CCCl CNP0328789.0 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 415 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 420 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 423 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|1,0,0]=3 426 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|1,0,0]=3 427 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 428 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 429 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 431 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,0]=3 436 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,2]=4 441 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 445 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,2]=4 447 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,1]=3 448 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,0]=2 451 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 452 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,1]=3 456 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,1,1]=4 457 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|2,0,0]=4 459 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,0]=3 462 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,0,1]=4 463 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,1]=4 464 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,0]=3 465 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,0,1]=4 466 B5R0.2 N#CCCC=O CNP0181263.0 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,0]=3 468 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|1,0,1]=4 471 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|1,0,1]=4 472 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|1,0,1]=4 473 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|2,0,0]=4 474 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|0,0,2]=4 476 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|0,0,2]=4 477 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|0,0,0]=2 478 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|0,0,0]=2 479 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|0,0,0]=2 480 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|0,0,0]=2 481 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|0,0,0]=2 482 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|0,0,0]=2 483 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|0,0,0]=2 485 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,1,0,0,0,0|0,0,1]=3 486 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,2]=4 488 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|0,0,2]=4 489 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,0,1]=3 490 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|0,0,0]=2 492 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|0,0,0]=2 496 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|1,0,0]=3 499 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|0,0,0]=2 500 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,0]=3 508 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|1,0,0]=3 509 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|1,0,0]=3 511 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|0,0,2]=4 517 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|0,0,1]=3 522 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|0,0,0]=2 524 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|0,0,2]=4 526 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 528 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.3 CSC(C)CCC#N CNP0577108.0 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|0,0,1]=3 542 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|1,0,0]=3 543 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,1,0,0,0,0|0,0,2]=4 544 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [1,1,0,0,0,0|0,0,2]=4 545 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|0,0,1]=3 549 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [1,1,0,0,0,0|0,1,1]=4 550 B7R0.4 CC(C)CCNC=O CNP0473179.0 [1,1,0,0,0,0|0,0,0]=2 551 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,1,0,0,0,0|0,0,0]=2 552 B7R0.4 CC(C)CCON=O CNP0341686.0 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,1,0,0,0,0|0,0,1]=3 555 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,1,0,0,0,0|0,0,1]=3 557 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|0,0,1]=3 559 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,0]=3 560 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|1,0,0]=3 561 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|0,0,0]=2 562 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|0,1,0]=3 563 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|1,0,1]=4 564 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|0,0,0]=2 565 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,1,0,0,0,0|1,1,0]=4 568 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|1,0,0]=3 569 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|1,0,0]=3 575 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|0,0,0]=2 576 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|0,0,0]=2 578 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,1,0,0,0,0|1,0,1]=4 581 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,1,0,0,0,0|0,0,1]=3 582 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|1,0,0]=3 584 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|0,0,0]=2 585 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,1,0,0,0,0|1,0,0]=3 586 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|0,0,0]=2 587 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,1,0,0,0,0|1,0,0]=3 588 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,1,0,0,0,0|0,0,1]=3 589 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|1,0,1]=4 590 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,1,0,0,0,0|0,0,2]=4 591 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,1,0,0,0,0|0,0,2]=4 592 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,1,0,0,0,0|0,0,2]=4 596 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|0,0,2]=4 597 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|0,0,2]=4 599 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|0,0,2]=4 600 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [1,1,0,0,0,0|0,0,1]=3 601 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|0,0,2]=4 602 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|0,0,2]=4 603 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,1]=4 604 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|0,0,1]=3 606 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|1,0,0]=3 607 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|1,0,0]=3 608 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|0,0,0]=2 610 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|0,0,0]=2 611 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|1,0,0]=3 612 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|0,0,0]=2 615 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|0,0,0]=2 618 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|0,0,0]=2 619 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,0]=3 625 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,0]=3 626 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|1,0,0]=3 627 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,1,0,0,0,0|1,0,1]=4 628 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,1,0,0,0,0|1,0,1]=4 629 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|1,0,0]=3 631 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|1,0,0]=3 632 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|1,0,0]=3 635 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|1,0,0]=3 636 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|1,0,0]=3 637 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|1,0,1]=4 642 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|1,0,0]=3 643 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|1,0,0]=3 644 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,1,0,0,0,0|2,0,0]=4 645 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|1,0,0]=3 647 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [1,1,0,0,0,0|2,0,0]=4 648 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [1,1,0,0,0,0|0,0,2]=4 649 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [1,1,0,0,0,0|0,0,2]=4 650 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [1,1,0,0,0,0|1,0,1]=4 651 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [1,1,0,0,0,0|1,0,0]=3 652 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [1,1,0,0,0,0|1,0,0]=3 653 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [1,1,0,0,0,0|2,0,0]=4 654 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [1,1,0,0,0,0|2,0,0]=4 655 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [1,1,0,0,0,0|2,0,0]=4 656 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [1,1,0,0,0,0|2,0,0]=4 657 B7R0.8 COCCC(C)(C)S CNP0210797.0 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [1,1,0,0,0,0|2,0,0]=4 659 B7R0.8 NCCCS(=O)(=O)O CNP0214317.0 [1,1,0,0,0,0|2,0,0]=4 660 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,1,0,0,1,0|2,0,0]=4 661 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,1,0|1,0,0]=3 662 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,1,0|1,0,0]=3 663 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,1,0|1,0,0]=3 664 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,0,0,1,0|2,0,0]=4 665 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,1,0,0,1,0|2,0,0]=4 666 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,1,0|0,0,0]=2 667 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,1,0,0,1,0|1,0,1]=4 668 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [0,1,0,0,1,0|2,0,0]=4 669 B7R0.9 CC(O)CP(=O)(O)O CNP0083683.0 [0,1,0,0,1,0|2,0,0]=4 670 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,1,0,0,1,0|1,0,0]=3 671 B7R0.9 C[As+](C)(C)CC(=O)[O-] CNP0085594.0 [0,1,0,0,1,0|1,0,1]=4 672 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,1,0,0,1,0|1,0,1]=4 673 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,1,0,0,1,0|1,0,1]=4 674 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [0,1,0,0,1,0|2,0,0]=4 675 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [0,1,0,0,1,0|2,0,0]=4 676 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,1,0,0,1,0|1,0,0]=3 677 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,1,0,0,1,0|1,0,0]=3 678 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0508048.0 [0,1,0,0,1,0|1,0,1]=4 679 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0513647.0 [0,1,0,0,1,0|1,0,1]=4 680 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,1,0|1,0,1]=4 681 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,1,0|1,0,1]=4 682 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,1,0|0,0,2]=4 683 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,1,0|0,0,2]=4 684 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,1,0|1,0,1]=4 685 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,1,0|1,0,1]=4 686 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,1,0|1,0,0]=3 687 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,1,0|2,0,0]=4 688 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,1,0|1,0,0]=3 689 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,1,0|1,0,0]=3 690 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,1,0|1,0,1]=4 691 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,1,0|1,0,1]=4 692 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,1,0|0,0,1]=3 693 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,1,0|0,0,0]=2 694 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,1,0|1,0,0]=3 695 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,1,0|0,0,0]=2 696 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,1,0|0,0,0]=2 697 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,1,0|0,0,0]=2 698 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,1,0|2,0,0]=4 699 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,1,0|1,0,1]=4 700 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,1,0|1,0,0]=3 701 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,1,0|1,0,0]=3 702 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,1,0|1,0,0]=3 703 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,1,0|1,0,0]=3 704 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,1,0|1,0,0]=3 705 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,1,0|1,0,1]=4 706 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,1,0|1,0,0]=3 707 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,1,0|1,0,0]=3 708 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,1,0|1,0,0]=3 709 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,1,0|1,0,0]=3 710 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,1,0|1,0,0]=3 711 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,1,0|1,0,0]=3 712 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,1,0|1,0,0]=3 713 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,1,0|1,0,0]=3 714 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,1,0|1,0,0]=3 715 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,1,0|1,0,0]=3 716 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,1,0|1,0,0]=3 717 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,1,0|1,0,0]=3 718 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,1,0|1,0,0]=3 719 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,1,0|1,0,0]=3 720 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,1,0|1,0,0]=3 721 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,1,0|1,0,0]=3 722 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,1,0|2,0,0]=4 723 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,1,0|1,0,0]=3 724 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,1,0|1,0,0]=3 725 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,1,0|1,0,0]=3 726 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,1,0|0,0,0]=2 727 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,1,0,0,0,1|2,0,0]=4 728 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,1,0,0,0,1|2,0,0]=4 729 B9R0.1 CC(=CCCC(=NO)C)C CNP0212502.0 [0,1,0,0,0,1|1,0,1]=4 730 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,1,0,0,0,1|1,0,0]=3 731 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [0,1,0,0,0,1|2,0,0]=4 732 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,1,0,0,0,1|1,0,1]=4 733 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,0,0,0,1|1,0,1]=4 734 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,1,0,0,0,1|1,0,1]=4 735 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,0,0,0,1|1,0,1]=4 736 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,1,0,0,0,1|1,0,1]=4 737 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,0,0,0,1|1,0,1]=4 738 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,1|1,0,0]=3 739 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,0,0,0,1|0,0,0]=2 740 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,1,0,0,0,1|1,0,1]=4 741 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,1,0,0,0,1|1,0,0]=3 742 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [0,1,0,0,0,1|2,0,0]=4 743 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,1|1,0,1]=4 744 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,0,0,0,1|1,0,1]=4 745 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,1|0,0,0]=2 746 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,1|1,0,0]=3 747 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,1,0,0,0,1|1,0,1]=4 748 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,1,0,0,0,1|0,0,2]=4 749 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,1,0,0,0,1|0,0,1]=3 750 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,1,0,0,0,1|1,0,1]=4 751 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,1,0,0,0,1|1,0,1]=4 752 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,1,0,0,0,1|1,0,1]=4 753 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,0,0,0,1|1,0,1]=4 754 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,1,0,0,0,1|1,0,1]=4 755 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,1,0,0,0,1|1,0,1]=4 756 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,1,0,0,0,1|1,0,1]=4 757 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,1,0,0,0,1|1,0,1]=4 758 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,1,0,0,0,1|0,0,0]=2 759 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,1,0,0,0,1|0,0,1]=3 760 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,0,0,0,1|0,0,0]=2 761 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,1,0,0,0,1|0,0,0]=2 762 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,1,0,0,0,1|0,0,1]=3 763 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,1,0,0,0,1|0,0,1]=3 764 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,1,0,0,0,1|1,0,0]=3 765 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,0,1|1,0,0]=3 766 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [0,1,0,0,0,1|1,0,1]=4 767 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,1,0,0,0,1|1,0,0]=3 768 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,1,0,0,0,1|1,0,0]=3 769 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [0,1,0,0,0,1|1,0,1]=4 770 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,1,0,0,0,1|1,0,0]=3 771 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,0,1|1,0,0]=3 772 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,1,0,0,0,1|1,0,1]=4 773 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)[O-] CNP0389259.3 [0,1,0,0,0,1|1,0,1]=4 774 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,1,0,0,0,1|1,0,0]=3 775 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,1,0,0,0,1|1,0,0]=3 776 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.1 [0,1,0,0,0,1|1,0,1]=4 777 B9R0.7 C[S+](C)CC[C@H](N)C(=O)[O-] CNP0389259.2 [0,1,0,0,0,1|1,0,1]=4 778 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,1,0,0,0,1|2,0,0]=4 779 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,1,0,0,0,1|2,0,0]=4 780 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,1,0,0,0,1|2,0,0]=4 781 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,1,0,0,0,1|2,0,0]=4 782 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,1,0,0,0,1|2,0,0]=4 783 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,1,0,0,0,1|2,0,0]=4 784 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,1,0,0,0,1|2,0,0]=4 785 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,1,0,0,0,1|1,0,0]=3 786 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,1,0,0,0,1|1,0,0]=3 787 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,1,0,0,0,1|1,0,0]=3 788 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,1,0,0,0,1|1,0,0]=3 789 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,1,0,0,0,1|2,0,0]=4 790 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,1,0,0,0,1|1,0,0]=3 791 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,0,0,0,1|1,0,1]=4 792 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,1,0,0,0,1|1,0,0]=3 793 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,1,0,0,0,1|0,0,0]=2 794 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,1,0,0,0,1|0,0,0]=2 795 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,0,0,0,1|1,0,0]=3 796 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,1,0,0,0,1|1,0,0]=3 797 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,1,0,0,0,1|1,0,0]=3 798 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,1,0,0,0,1|1,0,0]=3 799 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [0,1,0,0,0,1|2,0,0]=4 800 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [0,1,0,0,0,1|2,0,0]=4 801 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [0,1,0,0,0,1|2,0,0]=4 802 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [0,1,0,0,0,1|2,0,0]=4 803 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [0,1,0,0,0,1|2,0,0]=4 804 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [0,1,0,0,0,1|2,0,0]=4 805 B9R0.56 CN(C)CCOP(=O)(O)O CNP0082860.0 [0,1,0,0,0,1|2,0,0]=4 806 B9R0.56 C[N+](C)(C)CC=CC(=O)O CNP0058148.0 [0,1,0,0,0,1|1,0,1]=4 807 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [0,1,0,0,0,1|1,0,0]=3 808 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CNP0082937.0 [0,1,0,0,0,1|1,0,1]=4 809 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [0,1,0,0,0,1|2,0,0]=4 810 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [0,1,0,0,0,1|2,0,0]=4 811 B9R0.56 C[N+](C)CCOP(=O)([O-])O CNP0546607.0 [0,1,0,0,0,1|2,0,0]=4 812 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.21 COC(=O)C=CC(C)(C)C CNP0328379.0 [0,2,0,0,0,0|0,0,2]=4 814 B9R0.21 COC(=O)CCS(=O)(=O)C CNP0017539.0 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.23 CC(=NO)C(=O)CC(C)C CNP0240772.0 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,2,0,0,0,0|0,0,0]=2 817 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,2,0,0,0,0|1,0,1]=4 818 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,2,0,0,0,0|0,0,0]=2 819 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,2,0,0,0,0|0,0,1]=3 820 B9R0.23 COC(=O)C(C)CC(=O)O CNP0352524.0 [0,2,0,0,0,0|1,0,1]=4 821 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,2,0,0,0,0|0,0,0]=2 822 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,2,0,0,0,0|0,0,0]=2 823 B9R0.23 COC(=O)[C@@H](O)CC(=O)C CNP0113476.2 [0,2,0,0,0,0|1,0,1]=4 824 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,2,0,0,0,0|0,0,0]=2 825 B9R0.23 COC(=O)[C@H](O)CC(=O)C CNP0113476.1 [0,2,0,0,0,0|1,0,1]=4 826 B9R0.23 COC(=O)[C@H](O)CC(=O)O CNP0269332.1 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,2,0,0,0,0|1,0,0]=3 828 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|1,0,0]=3 829 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|1,0,0]=3 830 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|2,0,0]=4 831 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|0,0,0]=2 832 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|0,0,2]=4 833 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|0,0,2]=4 834 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,2,0,0,0,0|1,0,1]=4 835 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,2,0,0,0,0|1,0,1]=4 836 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,2,0,0,0,0|1,0,1]=4 837 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,2,0,0,0,0|1,0,1]=4 838 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,2,0,0,0,0|0,0,1]=3 839 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,2,0,0,0,0|0,0,1]=3 840 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,2,0,0,0,0|0,0,1]=3 841 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,2,0,0,0,0|0,0,2]=4 842 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,2,0,0,0,0|0,0,1]=3 843 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,2,0,0,0,0|0,0,1]=3 844 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,2,0,0,0,0|1,0,1]=4 845 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,2,0,0,0,0|1,0,1]=4 846 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,2,0,0,0,0|1,0,1]=4 847 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,2,0,0,0,0|0,0,0]=2 848 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,2,0,0,0,0|1,0,0]=3 849 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,2,0,0,0,0|0,0,0]=2 850 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [0,2,0,0,0,0|0,0,2]=4 854 B9R0.42 COC(=O)C[C@@H](C)C(=O)C CNP0265875.1 [0,2,0,0,0,0|1,0,1]=4 855 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,2,0,0,0,0|1,0,1]=4 856 B9R0.42 COC(=O)C[C@@H](O)C(=O)O CNP0134370.1 [0,2,0,0,0,0|1,0,1]=4 857 B9R0.42 C[C@@H](O)[C@@H](O)C[C@@H](O)C=O CNP0164103.1 [0,2,0,0,0,0|1,0,1]=4 858 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,2,0,0,0,0|0,0,0]=2 859 B9R0.42 C[C@H](O)[C@@H](O)C[C@H](O)C=O CNP0164103.2 [0,2,0,0,0,0|1,0,1]=4 860 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,2,0,0,0,0|1,0,1]=4 862 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,2,0,0,0,0|1,0,0]=3 863 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,2,0,0,0,0|1,0,1]=4 864 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,2,0,0,0,0|1,0,0]=3 866 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,2,0,0,0,0|1,0,0]=3 867 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.43 O=C(O)CCC(NCl)NCl CNP0080933.0 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,2,0,0,0,0|1,0,0]=3 873 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,2,0,0,0,0|1,0,1]=4 874 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,2,0,0,0,0|1,0,0]=3 875 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,2,0,0,0,0|1,0,0]=3 877 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|1,0,0]=3 878 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,2,0,0,0,0|0,0,2]=4 879 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|1,0,1]=4 880 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|1,0,1]=4 881 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|0,0,0]=2 882 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,2,0,0,0,0|1,0,1]=4 884 B9R0.64 C=CC(C)(C)CCC(=C)C CNP0583335.0 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O CNP0326502.2 [0,2,0,0,0,0|1,0,0]=3 886 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O CNP0326502.1 [0,2,0,0,0,0|1,0,0]=3 887 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,2,0,0,0,0|0,0,0]=2 888 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,2,0,0,0,0|0,0,0]=2 889 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,2,0,0,0,0|0,0,0]=2 890 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [0,2,0,0,0,0|1,0,1]=4 891 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,2,0,0,0,0|0,0,1]=3 892 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,2,0,0,0,0|0,0,0]=2 893 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,2,0,0,0,0|0,0,0]=2 894 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,2,0,0,0,0|1,0,0]=3 895 B9R0.39 CCC(OC(=O)C)C(C)C CNP0611985.0 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,2,0,0,0,0|0,0,0]=2 897 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,2,0,0,0,0|0,0,0]=2 898 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,2,0,0,0,0|0,0,0]=2 899 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,2,0,0,0,0|0,0,0]=2 900 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,2,0,0,0,0|1,0,0]=3 901 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)[O-] CNP0119924.1 [0,2,0,0,0,0|1,0,1]=4 902 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,2,0,0,0,0|0,0,0]=2 903 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,2,0,0,0,0|2,0,0]=4 904 B9R0.57 [2H]C([2H])([2H])C[C@H](N)C(=O)O CNP0243222.2 [0,2,0,0,0,0|2,0,0]=4 905 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,2,0,0,0,0|1,0,1]=4 906 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,2,0,0,0,0|1,0,1]=4 907 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,2,0,0,0,0|1,0,1]=4 908 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,2,0,0,0,0|0,0,0]=2 909 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,2,0,0,0,0|1,0,1]=4 910 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,2,0,0,0,0|0,0,0]=2 911 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,2,0,0,0,0|0,0,0]=2 912 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,2,0,0,0,0|1,0,0]=3 913 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,2,0,0,0,0|1,0,0]=3 914 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,2,0,0,0,0|1,0,0]=3 915 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,2,0,0,0,0|1,0,0]=3 916 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,2,0,0,0,0|1,0,0]=3 917 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,2,0,0,0,0|1,0,0]=3 918 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,2,0,0,0,0|1,0,0]=3 919 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,2,0,0,0,0|1,0,0]=3 920 B9R0.77 C[N+](C)(C)CCP(=O)(O)O CNP0532164.0 [0,2,0,0,0,0|2,0,0]=4 921 B9R0.77 C[N+](C)(C)CC[P@](=O)([O-])O CNP0505643.1 [0,2,0,0,0,0|2,0,0]=4 922 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|0,0,2]=4 923 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,2]=4 924 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|0,0,1]=3 925 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,2]=4 926 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,0]=2 927 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,0]=3 928 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|0,0,1]=3 929 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 930 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 931 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,0]=2 932 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 933 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,1,0,0|1,0,1]=4 934 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,0]=3 935 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,0]=2 936 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,0]=3 937 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|1,0,1]=4 938 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|1,0,1]=4 939 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|2,0,0]=4 940 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|2,0,0]=4 941 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 942 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|2,0,0]=4 943 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 944 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|2,0,0]=4 945 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [1,0,0,1,0,0|2,0,0]=4 946 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|2,0,0]=4 947 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 948 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 949 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 950 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|2,0,0]=4 951 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|1,0,0]=3 952 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [1,0,0,1,0,0|2,0,0]=4 953 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 954 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 955 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 956 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,0]=3 957 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 958 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 959 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|2,0,0]=4 960 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|2,0,0]=4 961 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,0]=3 962 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,0]=3 963 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,1,0,0|2,0,0]=4 964 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|1,0,1]=4 965 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 966 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|1,0,1]=4 967 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|1,0,1]=4 968 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,1]=4 969 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [1,0,0,1,0,0|1,0,1]=4 970 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,0,0,1,0,0|1,0,1]=4 971 B7R1.14 CC1(CCCC1)O CNP0579828.0 [1,0,0,1,0,0|1,0,1]=4 972 B7R1.14 CC1(CCSS1)C CNP0245767.0 [1,0,0,1,0,0|1,1,0]=4 973 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [1,0,0,1,0,0|1,0,1]=4 974 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|1,0,0]=3 975 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 976 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,0]=3 977 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,0]=3 978 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,1|0,0,2]=4 979 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,0,1|1,0,1]=4 980 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,0,0,1,0,1|1,0,0]=3 981 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,1,0,1|1,0,1]=4 982 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,1|0,0,0]=2 983 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,0,0,1,0,1|1,0,1]=4 984 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,0,0,1,0,1|0,0,1]=3 985 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,1|0,0,0]=2 986 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,1|2,0,0]=4 987 B9R1.35 CN1C=N[C@@H](C1)C(=O)O CNP0561353.1 [0,0,0,1,0,1|1,0,1]=4 988 B9R1.35 CN1C=N[C@H](C1)C(=O)O CNP0561353.2 [0,0,0,1,0,1|1,0,1]=4 989 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,1|1,0,0]=3 990 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,0,0,1,0,1|2,0,0]=4 991 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,1|1,0,0]=3 992 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,0,0,1,0,1|1,0,1]=4 993 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,1|0,0,0]=2 994 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,1|0,0,0]=2 995 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,1|0,0,0]=2 996 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,0,0,1,0,1|1,0,1]=4 997 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,1|1,0,0]=3 998 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,1|1,0,0]=3 999 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,1|0,0,0]=2 1000 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,1|0,0,0]=2 1001 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,1|1,0,0]=3 1002 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,1,0,1|1,0,0]=3 1003 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,1,0,1|1,0,1]=4 1004 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,1|1,0,0]=3 1005 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,0,0,1,0,1|2,0,0]=4 1006 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,1|1,0,0]=3 1007 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,0,0,1,0,1|1,0,1]=4 1008 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,1|1,0,0]=3 1009 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,0,0,1,0,1|1,0,1]=4 1010 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,0,0,1,0,1|2,0,0]=4 1011 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,0,0,1,0,1|2,0,0]=4 1012 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,0,0,1,0,1|2,0,0]=4 1013 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,0,0,1,0,1|1,0,1]=4 1014 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,1|1,0,0]=3 1015 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,1|1,0,0]=3 1016 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,1|1,0,1]=4 1017 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,1|2,0,0]=4 1018 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,0,0,1,0,1|1,0,0]=3 1019 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,1|2,0,0]=4 1020 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,1|2,0,0]=4 1021 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,0,1,0,1|0,0,0]=2 1022 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,0,0,1,0,1|1,0,0]=3 1023 B9R1.161 C[S+](C)[C@@H]1C[C@@H]1C(=O)[O-] CNP0427665.1 [0,0,0,1,0,1|1,0,1]=4 1024 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|1,0,0]=3 1025 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,1,0,1,0,0|1,0,1]=4 1027 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,1,0,1,0,0|1,0,1]=4 1028 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,1,0,0|1,0,0]=3 1029 B9R1.10 CC1(C=CC(CC1)O)C CNP0533712.0 [0,1,0,1,0,0|1,0,1]=4 1030 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,1,0,1,0,0|2,0,0]=4 1031 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O CNP0296660.1 [0,1,0,1,0,0|1,0,1]=4 1032 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,1,0,1,0,0|1,0,1]=4 1033 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|0,0,1]=3 1034 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,1]=4 1035 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,0]=3 1036 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,1,0,0|1,0,1]=4 1037 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|0,0,0]=2 1038 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|0,0,0]=2 1039 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,0]=3 1040 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [0,1,0,1,0,0|0,0,1]=3 1041 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|2,0,0]=4 1042 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [0,1,0,1,0,0|1,1,0]=4 1043 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [0,1,0,1,0,0|1,1,0]=4 1044 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [0,1,0,1,0,0|1,1,0]=4 1045 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,1,0,1,0,0|0,0,2]=4 1046 B9R1.133 CC1(OC[C@@H](O1)C=O)C CNP0250555.1 [0,1,0,1,0,0|1,0,1]=4 1047 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|1,0,0]=3 1048 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|1,0,0]=3 1049 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,1,0,1,0,0|2,0,0]=4 1050 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,1,0,1,0,0|1,0,0]=3 1051 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|1,0,0]=3 1052 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,1,0,1,0,0|1,0,0]=3 1053 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,1,0,1,0,0|0,0,0]=2 1054 B9R1.38 CC1(OC(=O)N=C1O)C CNP0372072.0 [0,1,0,1,0,0|1,0,1]=4 1055 B9R1.38 CC1(OC(=O)NC1=O)C CNP0571707.0 [0,1,0,1,0,0|1,0,1]=4 1056 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,1,0,1,0,0|0,0,2]=4 1057 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,1,0,1,0,0|0,0,2]=4 1058 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,1,0,1,0,0|0,0,2]=4 1059 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,1,0,1,0,0|1,0,0]=3 1060 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,1,0,1,0,0|0,0,0]=2 1061 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,1,0,1,0,0|1,0,0]=3 1062 B9R1.146 CC1(CCC(O1)(C)C)C CNP0103388.0 [0,1,0,1,0,0|1,0,1]=4 1063 B9R1.198 CS1(=O)(CCC(=O)O1)O CNP0407926.0 [0,1,0,1,0,0|2,0,0]=4 1064 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,2,0,0|2,0,0]=4 1065 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,2,0,0|2,0,0]=4 1066 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,2,0,0|1,0,0]=3 1067 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|1,0,1]=4 1068 B9R2.110 OC12CCC(C1)CC2 CNP0551977.0 [0,0,0,2,0,0|1,0,1]=4 1069 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,0]=3 1070 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,2,0|0,0,2]=4 1071 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,2,0|1,0,0]=3 1072 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,2,0|1,0,1]=4 1073 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,2,0|1,0,1]=4 1074 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,2,0|1,0,1]=4 1075 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,2,0|1,0,0]=3 1076 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,2,0|2,0,0]=4 1077 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,2,0|2,0,0]=4 1078 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,2,0|2,0,0]=4 1079 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,2,0|2,0,0]=4 1080 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,2,0|1,0,0]=3 1081 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,2,0|1,0,0]=3 1082 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,2,0|0,0,0]=2 1083 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,2,0|1,0,1]=4 1084 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,2,0|1,0,1]=4 1085 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,2,0|1,0,1]=4 1086 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,2,0|1,0,1]=4 1087 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,2,0|1,0,1]=4 1088 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,2,0|1,0,1]=4 1089 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,2,0|1,0,1]=4 1090 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,2,0|1,0,1]=4 1091 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,2,0|1,0,0]=3 1092 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,2,0|1,0,0]=3 1093 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,2,0|1,0,0]=3 1094 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,2,0|1,0,0]=3 1095 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,2,0|1,0,0]=3 1096 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,0,0,0,2,0|2,0,0]=4 1097 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,0,0,0,2,0|2,0,0]=4 1098 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,0,0,0,2,0|2,0,0]=4 1099 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,0,0,0,2,0|2,0,0]=4 1100 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,0,0,0,2,0|2,0,0]=4 1101 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,0,0,0,2,0|2,0,0]=4 1102 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,0,0,0,2,0|2,0,0]=4 1103 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,0,0,0,2,0|2,0,0]=4 1104 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,0,0,0,2,0|2,0,0]=4 1105 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,0,0,0,0,2|1,0,0]=3 1106 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,0,0,0,0,2|1,0,1]=4 1107 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,0,0,0,0,2|1,0,0]=3 1108 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,0,0,0,0,2|1,0,1]=4 1109 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [0,0,0,0,0,2|1,0,1]=4 1110 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,0,0,0,0,2|1,0,0]=3 1111 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,0,0,0,2|0,0,0]=2 1112 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,0,0,0,0,2|1,0,1]=4 1113 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,0,0,0,0,2|1,0,0]=3 1114 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,0,0,0,0,2|1,0,0]=3 1115 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,0,0,0,0,2|1,0,0]=3