0 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.4 C=CCOS(=S)C CNP0604033.0 [0,0,0,0,0,0|1,1,2]=4 6 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,0,0,0,0,0|0,1,2]=3 7 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.4 CC(C)CCCO CNP0344466.0 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.4 CC(C)NCCN CNP0082470.0 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 CC(C)NCCO CNP0141461.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CC(C)OCCO CNP0079907.0 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,0,0,0,0|1,0,1]=2 26 B6R0.4 CCCCB(O)O CNP0482760.0 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.4 CCCCC(C)C CNP0312749.0 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,0,0,0,0,0|0,0,0]=0 36 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,0,0,0,0,0|0,1,0]=1 37 B6R0.4 CCCSC(C)C CNP0228244.0 [0,0,0,0,0,0|1,1,1]=3 38 B6R0.4 CCCSC(C)S CNP0609747.0 [0,0,0,0,0,0|0,2,1]=3 39 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,0,0,0,0,0|1,1,1]=3 40 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.4 CCNCC(C)C CNP0165310.0 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.4 CCSCC(C)C CNP0208462.0 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.4 CCSSC(C)C CNP0003135.0 [0,0,0,0,0,0|2,1,1]=4 47 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.4 CNCCC(C)C CNP0254439.0 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.4 COCC=C(C)C CNP0493784.0 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 COCCC(C)C CNP0316382.0 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.4 COCCN(C)C CNP0429553.0 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,0,0,0,0,0|1,1,0]=2 59 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.4 NCCOB(O)O CNP0548675.0 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.4 NCCOP(O)O CNP0382987.0 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,0,0,0,0,0|3,0,0]=3 70 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,0,0,0,0,0|3,0,0]=3 71 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,0,0,0,0,0|3,0,0]=3 73 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,0,0,0,0,0|4,0,0]=4 74 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|0,0,2]=3 84 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|0,0,2]=3 96 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|0,0,0]=1 103 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,0]=2 105 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,0]=2 106 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|0,1,1]=3 108 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|0,0,2]=3 111 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|0,0,2]=3 112 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 114 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|0,0,0]=1 115 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|0,0,0]=1 119 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|2,1,0]=4 120 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|0,1,0]=2 121 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|1,1,1]=4 122 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|0,2,1]=4 123 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|2,1,0]=4 124 B5R0.1 CN(C)CCCl CNP0328789.0 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,0,0,0,0|3,0,0]=4 126 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 148 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|3,0,0]=4 154 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|1,0,2]=4 156 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,2]=4 157 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,0,0,0,0|1,0,2]=4 158 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,0,0,0,0|0,0,3]=4 161 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|1,1,1]=4 164 B5R0.2 CC#CCCO CNP0515871.0 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|1,0,2]=4 168 B5R0.2 CC=CCC#N CNP0080085.0 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|1,0,2]=4 170 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,0]=2 171 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|3,0,0]=4 173 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|1,0,1]=3 174 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|1,0,1]=3 177 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|1,0,0]=2 180 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|1,0,2]=4 185 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|1,1,1]=4 186 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|2,0,0]=3 190 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|1,1,1]=4 191 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|0,0,0]=1 192 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|1,1,1]=4 193 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|0,1,1]=3 194 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|1,1,0]=3 195 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,0,1]=3 199 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|1,1,1]=4 200 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|1,1,1]=4 201 B5R0.2 CCSSSC CNP0407481.0 [1,0,0,0,0,0|2,1,0]=4 202 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|3,0,0]=4 203 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|3,0,0]=4 204 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|3,0,0]=4 206 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|3,0,0]=4 207 B5R0.2 CSCSSC CNP0313036.0 [1,0,0,0,0,0|2,1,0]=4 208 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|2,0,1]=4 213 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,0|1,0,1]=3 214 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|1,0,1]=3 215 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|1,0,1]=3 217 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|1,0,0]=2 223 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|0,0,0]=1 225 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,0,0,0,0|2,1,0]=4 230 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,0,0,0,0|2,1,0]=4 231 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|0,0,0]=1 232 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|1,0,1]=3 246 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|2,0,0]=3 247 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|2,0,0]=3 248 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|1,0,1]=3 249 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,0,0,0,0|1,0,1]=3 250 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,0,0,0,0|1,0,2]=4 252 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,0,0,0,0|0,1,2]=4 253 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|1,0,0]=2 258 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|1,0,0]=2 259 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|1,0,1]=3 262 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|1,0,2]=4 265 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.3 CCCNC(=S)NN CNP0494468.0 [0,1,0,0,0,0|2,1,0]=4 270 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|0,0,0]=1 271 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,0,0,0,0|0,2,1]=4 272 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,1,0,0,0,0|1,0,2]=4 275 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,0,0,0,0|1,0,2]=4 284 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,1,0,0,0,0|1,0,1]=3 287 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,1,0,0,0,0|0,0,0]=1 288 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,0,0,0,0|1,0,0]=2 296 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,0,0,0,0|1,0,0]=2 298 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,0,0,0,0|2,0,0]=3 303 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,0,0,0,0|1,0,2]=4 305 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,1,0,0,0,0|1,1,1]=4 306 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,1,0,0,0,0|1,1,1]=4 309 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,1,0,0,0,0|2,1,0]=4 310 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,0,0,0,0|0,0,0]=1 311 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,1,0,0,0,0|1,1,1]=4 312 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,1,0,0,0,0|1,1,1]=4 313 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,1,0,0,0,0|1,1,1]=4 315 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,1,0,0,0,0|0,0,0]=1 316 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,1,0,0,0,0|1,1,1]=4 317 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,1,0,0,0,0|2,0,1]=4 323 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,0,0,0,0|2,0,0]=3 324 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,1,0,0,0,0|0,0,0]=1 326 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.4 N=C(N)NCCCO CNP0451152.0 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,1,0,0,0,0|2,0,0]=3 330 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,0,0,0,0|2,0,0]=3 332 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,1,0,0,0,0|3,0,0]=4 333 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [0,1,0,0,0,0|2,0,0]=3 338 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|3,0,0]=4 340 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|3,0,0]=4 342 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|3,0,0]=4 343 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,0]=3 344 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|1,0,0]=2 346 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,0]=3 347 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|1,0,2]=4 350 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|1,0,2]=4 351 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|1,0,0]=2 352 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|2,0,0]=3 353 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|2,0,0]=3 354 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|2,0,0]=3 355 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|1,0,0]=2 357 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|2,0,0]=3 358 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|2,0,0]=3 359 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|2,0,0]=3 360 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,0]=3 365 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|2,0,0]=3 366 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|3,0,0]=4 367 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|3,0,0]=4 371 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|3,0,0]=4 372 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|3,0,0]=4 374 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|3,0,0]=4 375 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|3,0,0]=4 376 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|3,0,0]=4 378 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|3,0,0]=4 379 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,1,0,0,0,0|1,0,1]=3 383 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,1,0,0,0,0|1,0,2]=4 384 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,1,0,0,0,0|1,0,1]=3 385 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,1,0,0,0,0|1,0,1]=3 386 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,1,0,0,0,0|0,0,1]=2 391 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,1,0,0,0,0|1,0,0]=2 394 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,1,0,0,0,0|1,0,1]=3 396 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,1,0,0,0,0|0,0,0]=1 397 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,1,0,0,0,0|2,0,1]=4 398 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,1,0,0,0,0|1,0,1]=3 399 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,1,0,0,0,0|2,0,0]=3 403 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,1,0,0,0,0|1,0,1]=3 407 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,1,0,0,0,0|2,0,0]=3 409 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,1,0,0,0,0|3,0,0]=4 412 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,1,0,0,0,0|3,0,0]=4 413 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,1,0,0,0,0|3,0,0]=4 415 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,1,0,0,0,0|3,0,0]=4 416 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [0,1,0,0,0,0|3,0,0]=4 419 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [0,1,0,0,0,0|3,0,0]=4 420 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [0,1,0,0,0,0|2,0,0]=3 421 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [0,1,0,0,0,0|1,0,0]=2 422 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,1,0,0,0,0|1,1,1]=4 423 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [0,1,0,0,0,0|2,1,0]=4 424 B7R0.8 CSCSS(=O)(=O)C CNP0177425.0 [0,1,0,0,0,0|2,1,0]=4 425 B7R0.8 NCCOP(=O)(O)O CNP0179004.0 [0,1,0,0,0,0|3,0,0]=4 426 B7R0.8 NCCOS(=O)(=O)O CNP0107858.0 [0,1,0,0,0,0|3,0,0]=4 427 B7R0.8 O=P(O)(O)OCCO CNP0082124.0 [0,1,0,0,0,0|3,0,0]=4 428 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|1,0,2]=4 429 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,0|2,0,1]=4 430 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|0,0,2]=3 431 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,1,0,0|2,1,0]=4 432 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,1,0,0|1,0,2]=4 433 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,1,0,0|1,0,2]=4 434 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,1,0,0|2,0,0]=3 435 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,1,0,0|1,0,2]=4 436 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,0|3,0,0]=4 437 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,1,0,0|2,0,0]=3 438 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,1,0,0|2,0,1]=4 439 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|1,0,2]=4 440 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|2,0,1]=4 441 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|2,1,0]=4 442 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|1,0,0]=2 443 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|2,0,0]=3 444 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|1,0,2]=4 445 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,1,0,0|1,1,1]=4 446 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|1,0,0]=2 447 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|1,0,0]=2 448 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|2,0,0]=3 449 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|2,0,1]=4 450 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,0|1,0,2]=4 451 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|0,0,0]=1 452 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|2,0,0]=3 453 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|0,0,0]=1 454 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,1,0,0|1,1,0]=3 455 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,0|1,0,2]=4 456 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|2,0,1]=4 458 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|3,0,0]=4 459 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|3,0,0]=4 460 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|2,0,0]=3 461 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|1,0,0]=2 462 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|2,0,0]=3 463 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|1,0,0]=2 464 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|2,0,1]=4 465 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|2,0,0]=3 466 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|2,0,0]=3 467 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|2,0,1]=4 468 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|1,0,1]=3 469 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|2,0,1]=4 470 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,1,0,0|3,0,0]=4 471 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|2,0,1]=4 472 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|0,1,1]=3 473 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|2,0,1]=4 474 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|2,0,1]=4 475 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|1,0,1]=3 476 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|1,0,2]=4 477 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|1,0,2]=4 478 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|0,0,2]=3 479 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|1,0,1]=3 480 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|1,0,0]=2 481 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|1,0,0]=2 482 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|0,0,0]=1 483 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|2,0,0]=3 484 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|1,0,1]=3 486 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|1,0,1]=3 487 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|1,0,2]=4 488 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,1,0,0|1,1,0]=3 489 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|1,0,2]=4 490 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,0,1,0,0|1,0,2]=4 491 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|1,0,2]=4 492 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,0|1,0,2]=4 493 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,0,0,1,0,0|2,0,1]=4 494 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,0,0,1,0,0|1,0,2]=4 495 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,0,0,1,0,0|0,2,1]=4 496 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,0,0,1,0,0|3,0,0]=4 497 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,0,1,0,0|2,0,0]=3 498 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,1,0,0|3,0,0]=4 499 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,1,0,0|3,0,0]=4 500 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,0,0,1,0,0|1,0,1]=3 501 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 502 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|2,0,0]=4 503 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,2]=4 504 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 505 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 506 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 507 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 508 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 509 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 512 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 513 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 514 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 517 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 518 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 520 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,0]=3 524 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,0]=3 526 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|1,0,1]=4 528 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 530 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 531 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 532 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 536 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 537 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,0]=3 538 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 540 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 541 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 542 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 545 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 546 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|2,0,0]=4 547 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|2,0,0]=4 548 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|2,0,0]=4 549 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|2,0,0]=4 551 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 552 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 553 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 554 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 555 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 556 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 557 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 558 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 559 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|0,0,1]=3 560 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|0,1,1]=4 561 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 562 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 563 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,1]=3 564 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,1]=4 565 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,1]=4 566 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,1]=4 567 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|0,1,1]=4 568 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 569 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,1]=3 570 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 571 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,1]=4 572 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,2]=4 573 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,1]=4 574 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,0]=3 575 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|0,0,0]=2 576 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|0,1,0]=3 577 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|0,1,1]=4 578 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 579 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|0,0,0]=2 580 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|0,0,1]=3 581 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|1,0,0]=3 582 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|0,1,1]=4 583 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|1,1,0]=4 584 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 585 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|2,0,0]=4 586 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|1,0,0]=3 587 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,0]=3 588 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|0,1,0]=3 589 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,0]=3 590 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,1,0]=4 591 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|1,1,0]=4 592 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 593 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 594 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,0]=3 595 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|1,0,1]=4 596 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|0,0,1]=3 599 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|0,0,1]=3 600 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,1,0,0,0,0|0,0,2]=4 601 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|0,0,2]=4 603 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|0,0,2]=4 604 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|0,0,1]=3 606 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|0,0,2]=4 607 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|0,0,1]=3 608 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,1,0,0,0,0|0,0,1]=3 609 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|0,0,1]=3 610 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|0,0,0]=2 611 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,0]=2 612 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|0,0,0]=2 613 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|0,0,0]=2 614 B6R0.1 CCCC(C)C#N CNP0583202.0 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|0,0,1]=3 616 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|0,0,2]=4 618 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,1,0,0,0,0|0,1,1]=4 619 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,1,0,0,0,0|0,0,2]=4 620 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|0,0,2]=4 622 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,1,0,0,0,0|0,0,2]=4 624 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,0]=3 626 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,0]=3 627 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|0,0,0]=2 629 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|0,0,0]=2 630 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|0,0,0]=2 631 B6R0.1 CCOC(C)CC CNP0086282.0 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.1 CCOC(C)OC CNP0612171.0 [1,1,0,0,0,0|0,0,2]=4 633 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [1,1,0,0,0,0|0,0,2]=4 634 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|0,1,0]=3 635 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|1,0,0]=3 636 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,1]=4 637 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|1,0,0]=3 638 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|0,0,1]=3 641 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|0,0,2]=4 643 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|0,0,1]=3 644 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|0,0,2]=4 645 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|0,0,2]=4 646 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|0,0,1]=3 647 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,0]=2 650 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|0,0,0]=2 651 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|0,0,0]=2 652 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|0,0,1]=3 654 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|0,0,0]=2 655 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,1,0,0,0,0|0,1,1]=4 656 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [1,1,0,0,0,0|0,1,1]=4 657 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|0,1,0]=3 658 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|1,0,0]=3 659 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|0,0,2]=4 661 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,1,0,0,0,0|1,0,1]=4 662 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,0]=3 666 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|2,0,0]=4 667 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|2,0,0]=4 668 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|2,0,0]=4 669 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,0]=3 670 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|1,0,0]=3 671 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|0,0,2]=4 672 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,0]=3 673 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|1,0,0]=3 674 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|2,0,0]=4 677 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|2,0,0]=4 678 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|1,0,0]=3 679 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|1,0,1]=4 680 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|0,0,2]=4 682 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|0,0,1]=3 684 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|0,0,0]=2 686 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,1,0,0,0,0|0,0,2]=4 688 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|0,0,0]=2 689 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|0,0,0]=2 691 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|1,0,0]=3 692 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|1,0,0]=3 693 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|1,0,0]=3 694 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,1,0,0,0,0|0,0,2]=4 695 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|1,0,0]=3 696 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|0,0,0]=2 697 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|1,0,0]=3 698 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|0,0,0]=2 699 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|1,0,0]=3 700 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|1,0,0]=3 701 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|1,0,0]=3 702 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,1,0,0,0,0|0,0,2]=4 704 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|1,0,0]=3 705 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|1,0,0]=3 706 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,1,0,0,0,0|2,0,0]=4 707 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,1,0,0,0,0|2,0,0]=4 708 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|1,0,1]=4 709 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|1,0,0]=3 710 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|1,0,0]=3 711 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,1,0,0,0,0|2,0,0]=4 712 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,1,0,0,0,0|2,0,0]=4 714 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,1,0,0,0,0|2,0,0]=4 715 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [1,1,0,0,0,0|2,0,0]=4 716 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [1,1,0,0,0,0|2,0,0]=4 717 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,1,0,0,0,0|2,0,0]=4 718 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,1,0,0,0,0|2,0,0]=4 719 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,1,0,0,0,0|2,0,0]=4 720 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,1,0,0,0,0|2,0,0]=4 721 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,1,0,0,0,0|2,0,0]=4 722 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,1,0,0,0,0|2,0,0]=4 723 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,1,0,0,0,0|2,0,0]=4 724 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,1,0,0,0,0|2,0,0]=4 725 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,1,0,0,0,0|2,0,0]=4 726 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,1,0,0,0,0|2,0,0]=4 727 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,1,0,0,0,0|2,0,0]=4 728 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,1,0,0,0,0|2,0,0]=4 729 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,1,0,0,0,0|2,0,0]=4 730 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,1,0,0,0,0|2,0,0]=4 731 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,1,0,0,0,0|2,0,0]=4 732 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,1,0,0,0,0|2,0,0]=4 733 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,1,0,0,0,0|2,0,0]=4 734 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|1,0,1]=4 735 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|0,0,2]=4 736 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [1,1,0,0,0,0|2,0,0]=4 737 B6R0.5 CCOC(C)(C)C CNP0285210.0 [1,1,0,0,0,0|1,0,1]=4 738 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [1,1,0,0,0,0|2,0,0]=4 739 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|1,0,0]=3 740 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [1,1,0,0,0,0|2,0,0]=4 741 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [1,1,0,0,0,0|2,0,0]=4 742 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,1,0,0,0,0|2,0,0]=4 743 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,1,0,0,0,0|2,0,0]=4 744 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.6 C=CCCC=CC CNP0426808.0 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.6 C=CCCCCC CNP0226691.0 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.6 C=CCCCCO CNP0162421.0 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.6 C=CCOCCO CNP0248950.0 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.6 C=CCSCCC CNP0150756.0 [1,1,0,0,0,0|0,1,1]=4 750 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|0,0,1]=3 751 B6R0.6 CC#CCCCO CNP0320046.0 [1,1,0,0,0,0|1,0,1]=4 752 B6R0.6 CC=CC=CCC CNP0608489.0 [1,1,0,0,0,0|1,0,1]=4 753 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,0]=3 755 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|1,0,0]=3 756 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,0]=3 757 B6R0.6 CC=COC=CC CNP0612224.0 [1,1,0,0,0,0|0,0,2]=4 758 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|0,1,0]=3 759 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|1,1,0]=4 760 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.6 CCC=C=CCC CNP0518397.0 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|1,0,1]=4 763 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,0]=3 764 B6R0.6 CCC=CCCO CNP0255718.0 [1,1,0,0,0,0|2,0,0]=4 765 B6R0.6 CCCC#CCO CNP0314465.0 [1,1,0,0,0,0|1,0,1]=4 766 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|1,0,0]=3 767 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|1,0,0]=3 768 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|1,0,1]=4 769 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|1,0,1]=4 770 B6R0.6 CCCCC=NO CNP0149695.0 [1,1,0,0,0,0|1,0,1]=4 771 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|1,0,0]=3 772 B6R0.6 CCCCCCC CNP0290800.0 [1,1,0,0,0,0|1,0,1]=4 773 B6R0.6 CCCCCCN CNP0213933.0 [1,1,0,0,0,0|1,0,1]=4 774 B6R0.6 CCCCCCO CNP0317600.0 [1,1,0,0,0,0|1,0,1]=4 775 B6R0.6 CCCCCCS CNP0167948.0 [1,1,0,0,0,0|1,0,1]=4 776 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,1,0,0,0,0|1,0,1]=4 777 B6R0.6 CCCCCNC CNP0276164.0 [1,1,0,0,0,0|1,0,1]=4 778 B6R0.6 CCCCCOC CNP0358174.0 [1,1,0,0,0,0|1,0,1]=4 779 B6R0.6 CCCCCSC CNP0293012.0 [1,1,0,0,0,0|1,0,1]=4 780 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|1,0,0]=3 781 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|0,0,0]=2 782 B6R0.6 CCCCON=O CNP0003508.0 [1,1,0,0,0,0|1,0,0]=3 783 B6R0.6 CCCCSSC CNP0532819.0 [1,1,0,0,0,0|1,1,0]=4 784 B6R0.6 CCCNCCC CNP0129820.0 [1,1,0,0,0,0|1,0,1]=4 785 B6R0.6 CCCOCCO CNP0079853.0 [1,1,0,0,0,0|0,0,1]=3 786 B6R0.6 CCCSCCC CNP0173387.0 [1,1,0,0,0,0|0,1,1]=4 787 B6R0.6 CCCSSCC CNP0322971.0 [1,1,0,0,0,0|0,1,1]=4 788 B6R0.6 CCCSSSC CNP0104471.0 [1,1,0,0,0,0|1,1,0]=4 789 B6R0.6 CCOCCCO CNP0304052.0 [1,1,0,0,0,0|0,0,1]=3 790 B6R0.6 CCOCCCS CNP0267296.0 [1,1,0,0,0,0|0,0,1]=3 791 B6R0.6 CCSCCCO CNP0355297.0 [1,1,0,0,0,0|0,1,1]=4 792 B6R0.6 CNCCCCN CNP0157274.0 [1,1,0,0,0,0|2,0,0]=4 793 B6R0.6 COCCCCO CNP0570905.0 [1,1,0,0,0,0|2,0,0]=4 794 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|1,0,0]=3 795 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|2,0,0]=4 796 B6R0.6 ClCCOCCCl CNP0082891.0 [1,1,0,0,0,0|1,0,1]=4 797 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|1,0,0]=3 798 B6R0.6 NCCOCCN CNP0447264.0 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.6 O=CCCCC=O CNP0204417.0 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.6 OCCOCCO CNP0333860.0 [1,1,0,0,0,0|1,0,1]=4 801 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|1,0,1]=4 806 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,2,0,0,0,0|2,0,0]=4 818 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,2,0,0,0,0|2,0,0]=4 823 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,2,0,0,0,0|2,0,0]=4 824 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|1,0,0]=3 826 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,0]=3 829 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|1,0,1]=4 831 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|1,0,0]=3 832 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|0,0,0]=2 835 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|1,0,1]=4 837 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,2,0,0,0,0|0,0,0]=2 838 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,2,0,0,0,0|2,0,0]=4 839 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,2,0,0,0,0|2,0,0]=4 841 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,2,0,0,0,0|2,0,0]=4 842 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,0]=3 845 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,0]=3 846 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|0,0,1]=3 847 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|0,0,0]=2 848 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|1,0,0]=3 850 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|1,0,1]=4 852 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,2,0,0,0,0|1,0,1]=4 854 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|1,0,0]=3 855 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,2,0,0,0,0|1,0,0]=3 856 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,2,0,0,0,0|1,0,1]=4 857 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,2,0,0,0,0|1,0,1]=4 858 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,2,0,0,0,0|1,0,0]=3 859 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,2,0,0,0,0|0,0,1]=3 862 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|2,0,0]=4 864 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,2,0,0,0,0|2,0,0]=4 866 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,2,0,0,0,0|2,0,0]=4 867 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,2,0,0,0,0|2,0,0]=4 868 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,2,0,0,0,0|2,0,0]=4 869 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,2,0,0,0,0|2,0,0]=4 870 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,2,0,0,0,0|2,0,0]=4 871 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,2,0,0,0,0|2,0,0]=4 873 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|2,0,0]=4 874 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,2,0,0,0,0|2,0,0]=4 877 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,2,0,0,0,0|2,0,0]=4 878 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,2,0,0,0,0|2,0,0]=4 879 B8R0.34 C=CC(C)(C)OC(=O)C CNP0166315.0 [0,2,0,0,0,0|0,0,2]=4 880 B8R0.34 CC(=O)OC(C)(C)C#N CNP0160424.0 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,2,0,0,0,0|0,0,0]=2 882 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,2,0,0,0,0|2,0,0]=4 883 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,2,0,0,0,0|2,0,0]=4 884 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,2,0,0,0,0|0,0,2]=4 885 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|0,0,2]=4 886 B8R0.1 C=CCS(=S)OCCC CNP0529420.0 [0,2,0,0,0,0|1,1,0]=4 887 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|1,0,0]=3 888 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|1,0,0]=3 889 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|1,0,0]=3 890 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|1,0,0]=3 891 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|0,0,0]=2 892 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,2,0,0,0,0|0,0,2]=4 893 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|2,0,0]=4 895 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,1]=4 896 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,0]=3 897 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,0]=3 898 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,0]=3 899 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|1,0,0]=3 900 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,2,0,0,0,0|1,0,1]=4 905 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,2,0,0,0,0|0,0,1]=3 906 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,2,0,0,0,0|1,0,1]=4 907 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,2,0,0,0,0|1,0,1]=4 908 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|1,0,1]=4 909 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,2,0,0,0,0|1,0,0]=3 910 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|1,0,0]=3 911 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,2,0,0,0,0|1,0,0]=3 912 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|1,0,0]=3 914 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,2,0,0,0,0|1,0,0]=3 915 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,2,0,0,0,0|1,0,0]=3 916 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,2,0,0,0,0|1,0,0]=3 917 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|0,0,0]=2 918 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,2,0,0,0,0|0,0,2]=4 919 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,2,0,0,0,0|1,0,1]=4 920 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,2,0,0,0,0|1,0,0]=3 922 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,2,0,0,0,0|1,0,0]=3 924 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,2,0,0,0,0|0,0,2]=4 925 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,2,0,0,0,0|1,0,0]=3 926 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,2,0,0,0,0|1,0,1]=4 927 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|1,0,0]=3 929 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|1,0,0]=3 930 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|1,0,0]=3 931 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,1]=4 932 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|1,0,0]=3 933 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|1,0,0]=3 934 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|1,0,0]=3 935 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|1,0,1]=4 936 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|2,0,0]=4 940 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|2,0,0]=4 941 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|0,0,0]=2 942 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,0,0]=3 945 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|2,0,0]=4 946 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,2,0,0,0,0|2,0,0]=4 947 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,2,0,0,0,0|2,0,0]=4 948 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,2,0,0,0,0|2,0,0]=4 949 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|2,0,0]=4 950 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,2,0,0,0,0|2,0,0]=4 951 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|2,0,0]=4 952 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,2,0,0,0,0|2,0,0]=4 957 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,2,0,0,0,0|1,0,0]=3 959 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,2,0,0,0,0|0,0,0]=2 961 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,2,0,0,0,0|0,0,0]=2 962 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,2,0,0,0,0|0,0,1]=3 964 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,2,0,0,0,0|1,0,1]=4 965 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,2,0,0,0,0|2,0,0]=4 966 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|1,0,0]=3 969 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,2,0,0,0,0|0,0,0]=2 971 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|0,0,0]=2 972 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|1,0,0]=3 974 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|2,0,0]=4 976 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,2,0,0,0,0|0,0,0]=2 977 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|2,0,0]=4 981 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,2,0,0,0,0|0,0,0]=2 982 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,2,0,0,0,0|1,0,0]=3 985 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,2,0,0,0,0|1,0,0]=3 987 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,2,0,0,0,0|2,0,0]=4 988 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,2,0,0,0,0|2,0,0]=4 990 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|1,0,1]=4 996 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|1,0,1]=4 998 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.25 COP(=O)(O)OCCCl CNP0107078.0 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,2,0,0,0,0|1,0,0]=3 1002 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,2,0,0,0,0|0,0,0]=2 1003 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,2,0,0,0,0|1,0,0]=3 1005 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,2,0,0,0,0|1,0,0]=3 1006 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,2,0,0,0,0|1,0,1]=4 1007 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,2,0,0,0,0|1,0,0]=3 1009 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,2,0,0,0,0|1,0,1]=4 1011 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,2,0,0,0,0|1,0,0]=3 1015 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,2,0,0,0,0|1,0,1]=4 1018 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,2,0,0,0,0|1,0,0]=3 1019 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,2,0,0,0,0|2,0,0]=4 1020 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,2,0,0,0,0|0,0,0]=2 1023 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,2,0,0,0,0|1,0,0]=3 1024 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,2,0,0,0,0|0,0,2]=4 1025 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,2,0,0,0,0|0,0,0]=2 1026 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,2,0,0,0,0|0,0,0]=2 1027 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,2,0,0,0,0|0,0,0]=2 1028 B8R0.7 N=C(N)NOCCCN CNP0419375.0 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.21 CC(C)(C)OCCCN CNP0186216.0 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [0,2,0,0,0,0|1,0,0]=3 1035 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [0,2,0,0,0,0|1,0,0]=3 1036 B8R0.21 CNCCOP(=O)(O)O CNP0449084.0 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.21 C[N+]CCOP(=O)([O-])O CNP0595348.0 [0,2,0,0,0,0|2,0,0]=4 1038 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,2,0,0,0,0|1,0,0]=3 1040 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,2,0,0,0,0|0,0,0]=2 1042 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,2,0,0,0,0|2,0,0]=4 1043 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,2,0,0,0,0|2,0,0]=4 1044 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,2,0,0,0,0|1,0,0]=3 1045 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,2,0,0,0,0|1,0,0]=3 1047 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,2,0,0,0,0|1,0,0]=3 1049 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,2,0,0,0,0|0,0,0]=2 1050 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,2,0,0,0,0|1,0,0]=3 1052 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,2,0,0,0,0|0,0,1]=3 1053 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,2,0,0,0,0|0,0,0]=2 1054 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,2,0,0,0,0|0,0,0]=2 1055 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,2,0,0,0,0|1,0,0]=3 1056 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,2,0,0,0,0|0,1,1]=4 1057 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,2,0,0,0,0|0,1,0]=3 1058 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,2,0,0,0,0|2,0,0]=4 1059 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,2,0,0,0,0|1,0,1]=4 1062 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,2,0,0,0,0|0,0,2]=4 1064 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|2,0,0]=4 1068 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.12 CNCC(C)(C)C(=O)C CNP0433251.0 [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,2,0,0,0,0|1,0,0]=3 1071 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.29 O=C(Cl)OCC(Cl)(Cl)Cl CNP0030286.0 [0,2,0,0,0,0|2,0,0]=4 1075 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|1,0,0]=3 1076 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|1,0,0]=3 1077 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,1,1]=4 1078 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|2,0,0]=4 1079 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|2,0,0]=4 1080 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|1,0,0]=3 1081 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,1,0,0|1,1,0]=4 1082 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,1,0,0|2,0,0]=4 1083 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,1]=4 1084 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,0,2]=4 1085 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,1,0,0|0,0,2]=4 1086 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|2,0,0]=4 1087 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,1]=4 1088 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|2,0,0]=4 1089 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,1,0,0|2,0,0]=4 1090 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,2]=4 1091 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,2]=4 1092 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,2]=4 1093 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,0]=2 1094 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,0]=3 1095 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,0]=2 1096 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,0]=3 1097 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 1098 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,0]=3 1099 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 1100 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,0]=3 1101 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,0]=3 1102 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,1]=4 1103 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|0,0,2]=4 1104 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,1,0,0|1,1,0]=4 1105 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,1,0,0|1,1,0]=4 1106 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|0,1,1]=4 1107 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,1]=4 1108 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,0]=2 1109 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,0,0]=3 1110 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,1]=4 1111 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,0]=3 1112 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|1,0,1]=4 1113 B6R1.10 CC1(CCO1)C CNP0252865.0 [1,0,0,1,0,0|1,0,1]=4 1114 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,0]=3 1115 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|2,0,0]=4 1116 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 1117 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,1]=3 1118 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,0]=3 1119 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|1,0,1]=4 1120 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,1]=4 1121 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,0,1]=3 1122 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,1,0,0|1,0,1]=4 1123 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,1,0,0|1,0,1]=4 1124 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|0,1,1]=4 1125 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|1,0,1]=4 1126 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|1,0,0]=3 1127 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [1,0,0,1,0,0|0,1,1]=4 1128 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|2,0,0]=4 1129 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|1,0,1]=4 1130 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|1,0,1]=4 1131 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|0,0,1]=3 1132 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,1,0,0|1,0,1]=4 1133 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,1,0,0|1,0,1]=4 1134 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,1,0,0|1,0,1]=4 1135 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,1,0,0|1,0,1]=4 1136 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,1,0,0|1,0,1]=4 1137 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|0,0,1]=3 1138 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|0,0,0]=2 1139 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,1,0,0|1,1,0]=4 1140 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|0,0,0]=2 1141 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|0,0,0]=2 1142 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,1,0,0|1,1,0]=4 1143 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,1,0,0|0,0,2]=4 1144 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,1,0,0|1,0,1]=4 1145 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|2,0,0]=4 1146 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|0,0,0]=2 1147 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|1,0,0]=3 1148 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,1,0,0|0,0,2]=4 1149 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,1,0,0|1,0,1]=4 1150 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|1,0,0]=3 1151 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|2,0,0]=4 1152 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|1,0,1]=4 1156 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,1]=4 1157 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|0,0,1]=3 1158 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|2,0,0]=4 1159 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|2,0,0]=4 1160 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|1,0,1]=4 1161 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|2,0,0]=4 1162 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|2,0,0]=4 1164 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,0]=2 1166 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,1,0,1,0,0|0,0,2]=4 1167 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,2]=4 1168 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|1,0,0]=3 1169 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,0]=2 1170 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,2]=4 1171 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|1,0,0]=3 1172 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,0]=2 1173 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|1,1,0]=4 1174 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,1,0,0|0,0,2]=4 1175 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|0,0,2]=4 1177 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|0,0,1]=3 1178 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|1,0,1]=4 1179 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|0,0,1]=3 1180 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|2,0,0]=4 1181 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|1,0,0]=3 1182 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,1,0,1,0,0|0,0,2]=4 1183 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|1,0,1]=4 1184 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|0,0,0]=2 1185 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|0,0,0]=2 1186 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|2,0,0]=4 1187 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|0,0,0]=2 1189 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,1]=4 1190 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,1,0,1,0,0|2,0,0]=4 1191 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|1,0,1]=4 1192 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,1,0,1,0,0|0,0,0]=2 1193 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,1,0,0|0,0,0]=2 1195 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,1,0,1,0,0|1,0,0]=3 1196 B8R1.51 CC1COC(O1)(C)C CNP0082638.0 [0,1,0,1,0,0|0,0,2]=4 1197 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|2,0,0]=4 1198 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|2,0,0]=4 1199 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,1,0,0|1,0,1]=4 1200 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,1,0,0|1,0,1]=4 1201 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|1,0,1]=4 1202 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,1,0,0|2,0,0]=4 1203 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|1,0,0]=3 1204 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|1,0,1]=4 1205 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,1,0,0|2,0,0]=4 1206 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,1,0,0|2,0,0]=4 1207 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|1,0,1]=4 1208 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,1,0,0|0,0,2]=4 1209 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,1,0,0|1,0,1]=4 1210 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|1,0,1]=4 1211 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|1,0,0]=3 1213 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,1,0,0|1,0,1]=4 1215 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,1,0,0|0,0,1]=3 1216 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|1,0,1]=4 1218 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|2,0,0]=4 1219 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|1,0,0]=3 1220 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,0]=2 1221 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|1,0,0]=3 1222 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|1,0,1]=4 1223 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|1,0,1]=4 1224 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|1,0,0]=3 1225 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|1,0,0]=3 1226 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,1,0,1,0,0|2,0,0]=4 1227 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,1,0,1,0,0|2,0,0]=4 1228 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|1,0,1]=4 1229 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|1,0,0]=3 1230 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|1,0,0]=3 1231 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|0,0,0]=2 1232 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,1,0,1,0,0|1,0,0]=3 1233 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,1,0,0|1,0,1]=4 1234 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|1,0,1]=4 1235 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|1,0,1]=4 1236 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,1]=4 1237 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|2,0,0]=4 1238 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,0]=3 1239 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,0]=3 1240 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|1,0,1]=4 1241 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|2,0,0]=4 1242 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,0]=3 1243 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,0]=3 1244 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|0,0,0]=2 1245 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|0,1,0]=3 1246 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,0]=3 1247 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|2,0,0]=4 1248 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,1]=4 1249 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,0]=3 1250 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,0]=3 1251 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,0]=3 1252 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,0]=3 1253 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [0,1,0,1,0,0|0,0,2]=4 1254 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|1,0,0]=3 1255 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,1,0,1,0,0|1,1,0]=4 1256 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,1,0,1,0,0|0,0,2]=4 1257 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,0]=3 1258 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,1,0,1,0,0|1,1,0]=4 1259 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,1,0,1,0,0|1,0,1]=4 1260 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,1,0,1,0,0|2,0,0]=4 1261 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|2,0,0]=4 1262 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|2,0,0]=4 1263 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|2,0,0]=4 1264 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|1,1,0]=4 1265 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|2,0,0]=4 1266 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|2,0,0]=4 1267 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|2,0,0]=4 1268 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|1,0,0]=3 1269 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|2,0,0]=4 1270 B8R1.35 CC(C)OCC1CO1 CNP0071169.0 [0,1,0,1,0,0|1,0,1]=4 1271 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,1,0,1,0,0|0,0,2]=4 1272 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,1,0,1,0,0|2,0,0]=4 1273 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,1,0,1,0,0|2,0,0]=4 1274 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,2,0,0|0,0,2]=4 1275 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,2,0,0|2,0,0]=4