0 B8R0.6 C#CCCCC(=O)OC C90747 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 C=CC(=O)CCCCC D71008 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.6 C=CC(=O)NCCCC D82024 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.6 C=CCCCC(=O)OC H11902 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.6 CCCCNC(=O)CC D88679 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.6 CCCCNC(=O)CCl 23765 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.6 CCCCOC(=O)CN F52077 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.6 CCCCOC(=O)CO D70201 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.6 CCNCCC(=O)OC 31591 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.6 CNCCCC(=O)OC AB9747 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.6 COC(=O)CCCC#N 32622 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.6 COC(=O)CCCCBr 76669 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.6 COC(=O)CCCCCl D75917 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.6 COC(=O)CCCCN 76218 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.6 COC(=O)COCCCl 39408 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.6 COCCCC(=O)OC F14920 [0,0,0,0,0,0|0,1,0]=1 20 B8R0.6 C\C=C\C=C\C(=O)OC H10763 [0,0,0,0,0,0|1,0,3]=4 21 B7R0.1 CNCCCCNC 29857 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 CSCCCN=C=S D91571 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.3 C=CCOC(=O)OC H10625 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.3 CCCCC(=O)CC D90783 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.3 CCCCC(=O)NN 74164 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.3 CCCOC(=O)OC D83836 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.3 CC\C=C\C(=O)OC S12000 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.3 CNCCC(=O)NC 30723 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.3 CNCCC(=O)OC 32388 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.3 COC(=O)CCC#N 82641 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.3 COC(=O)CCC=O 63110 [1,0,0,0,0,0|0,1,1]=3 32 B7R0.3 COC(=O)CCCBr S11981 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.3 COC(=O)CCCCl 28856 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.3 COC(=O)CCCN 64233 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.3 COC(=O)CN=[N+]=[N-] V10130 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.3 COC(=O)CNC=O C10698 [1,0,0,0,0,0|1,1,1]=4 37 B7R0.3 COC(=O)\C=C\CBr F11439 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.3 COC(=O)\C=C\CBr O11933 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.3 CO\C=C\C(=O)OC D73879 [1,0,0,0,0,0|0,1,2]=4 40 B7R0.3 CO\C=C\C(=O)OC O11915 [1,0,0,0,0,0|0,1,2]=4 41 B7R0.4 C#CCCCC(=O)O F14123 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.4 C=CCCCC(=O)O D86337 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.4 C=CCCOC(C)=O 74074 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 C=CCNCC(=O)O 54025 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CC(=O)CCCC#N D91224 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 CC(=O)CCCCCl D89394 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.4 CC(=O)OCCCCl 22019 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 CC(=O)SCCCO D86667 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.4 CCCCCB(O)O 33673 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.4 CCCCCC(N)=O D89187 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 CCCCC[C@H](C)N D90921 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.4 CCCCC[C@H](C)O D83253 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 CCCCNC(N)=O D88864 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 CCCCOC(N)=O D89279 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 CCCCSC(C)=O 79049 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.4 CCC\C=C\C(=O)O C10700 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.4 CCC\C=C\C(C)=O F17581 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.4 CC\C=C\CC(=O)O D82088 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 CNCCCC(=O)O 20515 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.4 CNCCCC(=O)O AB7427 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.4 CNCCCN(C)C D94649 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.4 N#CCCCC(=O)O RB3314 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 NCCCCC(=O)O 76219 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.4 NCCCCC(=O)O D78140 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 NCCOCC(=O)O AT23391 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 O=C(Cl)CCCCBr H11319 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.4 O=C(Cl)CCCCCl D89459 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.4 O=C(O)CCCCBr 76255 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 O=C(O)CCCCCl C10667 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 O=C(O)CNCCO AB10154 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.4 O=C(O)COCCCl 29961 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.4 O=C([O-])CCCCO F13839 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,1,0,0,0,0|1,0,0]=2 75 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,1,0,0,0,0|2,0,0]=3 76 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,1,0,0,0,0|1,0,0]=2 78 B9R0.1 COC(=O)CCC[N+](=O)[O-] W12509 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.1 COC(=O)CSCC(=O)O D80849 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [0,1,0,0,0,0|1,0,2]=4 81 B9R0.5 CCCNCC(=O)OCC 20892 [0,1,0,0,0,0|2,0,0]=3 82 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,1,0,0,0,0|1,0,2]=4 83 B9R0.5 CCOC(=O)CCCCBr 78992 [0,1,0,0,0,0|2,0,0]=3 84 B9R0.5 CCOC(=O)COCCCl 30785 [0,1,0,0,0,0|3,0,0]=4 85 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,1,0,0,0,0|1,0,0]=2 88 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,1,0,0,0,0|0,0,0]=1 91 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,1,0,0,0,0|0,0,0]=1 92 B9R0.24 CCC(=O)CCC(=O)OC D92982 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.24 COC(=O)CCC(=O)CN A11122 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,1,0,0,0,0|1,0,1]=3 95 B9R0.34 COCC(=O)CC(=O)OC 76660 [0,1,0,0,0,0|0,1,1]=3 96 B9R0.46 CCCCCCC(=O)OC D90782 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.46 COC(=O)CCCCC=O C76096 [0,1,0,0,0,0|1,0,1]=3 98 B9R0.46 COC(=O)CCCCCBr AC7709 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.46 COC(=O)CCCCCN 24451 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.46 COC(=O)CCCCCO D97618 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 CCC1CCC(=O)CC1 N10368 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.1 CCN1CCC(=O)CC1 77862 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.1 COC1CCC(=O)CC1 23774 [0,0,0,1,0,0|1,1,0]=3 106 B9R1.1 N#CC1CCC(=O)CC1 80206 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.1 O=C1CCC(CO)CC1 28378 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.5 CN1CCCCCC1=O F20350 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.5 CN1CCNCCC1=O Y10627 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.11 COC(=O)C1=CCCC1 23248 [0,0,0,1,0,0|1,0,2]=4 115 B9R1.11 COC(=O)C1CC=CC1 23138 [0,0,0,1,0,0|1,0,1]=3 116 B9R1.11 COC(=O)C1CCCC1 71026 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [0,0,0,1,0,0|1,0,0]=2 122 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [0,0,0,1,0,0|1,0,0]=2 123 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [0,0,0,1,0,0|1,0,0]=2 124 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [0,0,0,1,0,0|0,1,0]=2 125 B9R1.21 COC1CCC(OC)O1 D77900 [0,0,0,1,0,0|0,1,2]=4 126 B9R1.49 CN1CCCC(=O)CC1 34283 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.49 CN1CCNC(=O)CC1 64338 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.79 COC(=O)C=C1COC1 37057 [0,0,0,1,0,0|0,1,2]=4 132 B9R1.79 COC(=O)CC1CNC1 37323 [0,0,0,1,0,0|1,0,0]=2 133 B9R1.89 COC1=NCCCCC1 78135 [0,0,0,1,0,0|2,0,0]=3 134 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.6 CCNCCOC H11999 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.6 CNCCCCO F10210 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.6 COCCCCBr F13727 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.6 COCCCCCl 28715 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.6 COCCCCO D78159 [2,0,0,0,0,0|0,1,1]=4 140 B6R0.6 COCOCOC 75328 [2,0,0,0,0,0|1,1,0]=4 141 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.6 O=CCCCCCl C10094 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.1 C=CCC(=O)OC F15018 [2,0,0,0,0,0|0,0,2]=4 145 B6R0.1 CC#CC(=O)OC D73343 [2,0,0,0,0,0|0,0,2]=4 146 B6R0.1 CCCC(=O)CC D90801 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.1 CCCC(=O)NN O11707 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.1 CCCC(=O)SC D91533 [2,0,0,0,0,0|0,1,0]=3 149 B6R0.1 CCOC(=O)NC D91332 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.1 CCOC(=O)OC A11149 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.1 CNCC(=O)NC 71568 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.1 CNCC(=O)OC 73733 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.1 COC(=O)CC#N D77797 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.1 COC(=O)CCBr AB7483 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.1 COC(=O)CCCl D95821 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.1 COC(=O)CCN S12362 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.1 COC(=O)CCO 29940 [2,0,0,0,0,0|0,1,0]=3 158 B6R0.1 COC(=O)CCS D70327 [2,0,0,0,0,0|0,0,0]=2 159 B6R0.1 COC(=O)CSC D87959 [2,0,0,0,0,0|0,0,0]=2 160 B6R0.1 CONC(=O)OC D81547 [2,0,0,0,0,0|1,1,0]=4 161 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.4 C#CCCC(=O)O 90045 [2,0,0,0,0,0|0,0,2]=4 163 B6R0.4 C=C(C)CNCC D95542 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 C=CCCC(=O)O O12040 [2,0,0,0,0,0|0,0,2]=4 165 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|0,1,0]=3 167 B6R0.4 CC(=O)NCCN D70867 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.4 CC(=O)NCCO FD10637 [2,0,0,0,0,0|1,1,0]=4 169 B6R0.4 CC(=O)NCCS AT13754 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.4 CC(=O)OCCBr C10198 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.4 CC(=O)OCCCl D88201 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.4 CC(=O)OCCO D88371 [2,0,0,0,0,0|1,1,0]=4 173 B6R0.4 CCC#CC(=O)O D84135 [2,0,0,0,0,0|0,0,2]=4 174 B6R0.4 CCCCB(O)O 33151 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|0,0,1]=3 178 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.4 CC\C=C\C(=O)O D72497 [2,0,0,0,0,0|0,0,2]=4 184 B6R0.4 CC\C=C\C(=O)O P17755 [2,0,0,0,0,0|0,0,2]=4 185 B6R0.4 CN(C)CCCS D93440 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|0,1,0]=3 189 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|0,0,0]=2 190 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.4 CSCOC(C)=O D88428 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.4 C\C=C\CC(=O)O D92067 [2,0,0,0,0,0|0,0,2]=4 193 B6R0.4 N#CCCC(=O)O 81998 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|0,0,0]=2 199 B8R0.4 CCCCC\C=C\CO D91843 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.4 CCCCOCCOC A11001 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.4 COCCNCCOC F11888 [1,1,0,0,0,0|0,1,1]=4 202 B8R0.4 COCCOCCOC D80970 [1,1,0,0,0,0|0,1,1]=4 203 B8R0.7 CSCCCOC(C)=O D91595 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,1,0,0,0,0|0,0,0]=2 205 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,1,0,0,0,0|0,0,0]=2 206 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,1,0,0,0,0|0,0,0]=2 207 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,1,0,0,0,0|1,0,0]=3 208 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,1,0,0,0,0|1,0,0]=3 209 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,1,0,0,0,0|0,1,0]=3 210 B8R0.8 CCCCC(=O)C(C)C D91376 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [1,1,0,0,0,0|2,0,0]=4 212 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.9 COC(=O)CCC(=O)Cl S11982 [1,1,0,0,0,0|0,1,1]=4 214 B8R0.9 COC(=O)CCC(=O)O 73736 [1,1,0,0,0,0|0,1,1]=4 215 B8R0.9 COC(=O)CCC(C)=O H11992 [1,1,0,0,0,0|0,0,1]=3 216 B8R0.9 COC(=O)CCC(N)=O D92260 [1,1,0,0,0,0|0,1,1]=4 217 B8R0.9 COC(=O)CCN(C)C 32618 [1,1,0,0,0,0|1,0,0]=3 218 B8R0.9 COC(=O)CC[S@](=O)[O-] F16696 [1,1,0,0,0,0|1,0,1]=4 219 B8R0.19 CCC(=O)CC(=O)CC O11824 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.19 CCC(=O)CC(=O)OC AC7866 [1,1,0,0,0,0|0,0,1]=3 221 B8R0.19 COC(=O)CC(=O)CCl S12341 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.19 COC(=O)CC(=O)OC D72530 [1,1,0,0,0,0|0,1,1]=4 223 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.28 CC(=O)CCC=C(C)C D77716 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.28 CC(=O)CCCC(C)C D81757 [1,1,0,0,0,0|1,0,0]=3 227 B8R0.28 CC(=O)CCOC(C)=O D84229 [1,1,0,0,0,0|2,0,0]=4 228 B8R0.28 CC(=O)NCCC(=O)O 50398 [1,1,0,0,0,0|2,0,0]=4 229 B8R0.28 CC(=O)OCCN(C)C D88355 [1,1,0,0,0,0|2,0,0]=4 230 B8R0.28 CC(=O)SCCC(=O)O N12196 [1,1,0,0,0,0|2,0,0]=4 231 B8R0.28 CC(C)COCC(=O)O D79193 [1,1,0,0,0,0|2,0,0]=4 232 B8R0.28 CN(C)CCCC(=O)O F14882 [1,1,0,0,0,0|1,0,0]=3 233 B8R0.28 O=C(O)CCCC(=O)O D70283 [1,1,0,0,0,0|2,0,0]=4 234 B10R0.3 CCOC(=O)CCCC(=O)Cl D90519 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [0,2,0,0,0,0|2,0,0]=4 236 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,2,0,0,0,0|1,0,0]=3 237 B10R0.44 COC(=O)CC(=O)CC(C)C S11515 [0,2,0,0,0,0|1,0,1]=4 238 B10R0.44 COC(=O)C[C@@H](C)CC(=O)O 69426 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 28878 [0,2,0,0,0,0|2,0,0]=4 240 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 43933 [0,2,0,0,0,0|2,0,0]=4 241 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O FD21482 [0,2,0,0,0,0|2,0,0]=4 242 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 68605 [0,2,0,0,0,0|2,0,0]=4 243 B10R0.59 COC(=O)CNCC(=O)OC O11724 [0,2,0,0,0,0|0,1,1]=4 244 B10R0.59 COC(=O)CSCC(=O)OC W18648 [0,2,0,0,0,0|0,1,1]=4 245 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 23115 [0,2,0,0,0,0|2,0,0]=4 246 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21425 [0,2,0,0,0,0|2,0,0]=4 247 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21478 [0,2,0,0,0,0|2,0,0]=4 248 B10R0.82 COC(=O)CC[C@H](N)C(N)=O FD21446 [0,2,0,0,0,0|2,0,0]=4 249 B10R0.1 CCOC(=O)CCCCC=O N10652 [0,2,0,0,0,0|1,0,1]=4 250 B10R0.1 CCOC(=O)CCCCCBr 73728 [0,2,0,0,0,0|1,0,0]=3 251 B10R0.1 CCOC(=O)CCCCCN V10012 [0,2,0,0,0,0|1,0,0]=3 252 B10R0.1 CCOC(=O)CCCCCO A11137 [0,2,0,0,0,0|1,0,0]=3 253 B10R0.1 CCOC(=O)COCCCCl AC8364 [0,2,0,0,0,0|2,0,0]=4 254 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,2,0,0,0,0|1,0,0]=3 255 B10R0.2 CCOC(=O)CC(=O)COC 74076 [0,2,0,0,0,0|0,1,1]=4 256 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [0,2,0,0,0,0|2,0,0]=4 257 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [0,2,0,0,0,0|2,0,0]=4 258 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [0,2,0,0,0,0|2,0,0]=4 259 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,2,0,0,0,0|1,0,0]=3 260 B10R0.6 CCCOCC(=O)OC(C)C D81295 [0,2,0,0,0,0|2,0,0]=4 261 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [0,2,0,0,0,0|1,0,1]=4 262 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [0,2,0,0,0,0|1,0,0]=3 263 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [0,2,0,0,0,0|2,0,0]=4 264 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [0,2,0,0,0,0|0,0,0]=2 265 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [0,2,0,0,0,0|0,0,0]=2 266 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [0,2,0,0,0,0|1,0,0]=3 267 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [0,2,0,0,0,0|1,0,0]=3 268 B10R0.91 C#CCOC(=O)NCCCC D81823 [0,2,0,0,0,0|2,0,0]=4 269 B10R0.91 C=CCOC(=O)CCCCC A50641 [0,2,0,0,0,0|1,0,0]=3 270 B10R0.91 CCCCCC(=O)OCCC D92174 [0,2,0,0,0,0|1,0,0]=3 271 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [0,2,0,0,0,0|0,1,1]=4 272 B10R0.46 COC(=O)C[C@H](C)C(=O)OC 70020 [0,2,0,0,0,0|0,1,1]=4 273 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 20564 [0,2,0,0,0,0|0,1,1]=4 274 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 39370 [0,2,0,0,0,0|0,1,1]=4 275 B10R0.46 COC(=O)C[C@H](N)C(=O)OC W13852 [0,2,0,0,0,0|0,1,1]=4 276 B10R0.46 COC(=O)C[C@H](O)C(=O)OC D91488 [0,2,0,0,0,0|0,1,1]=4 277 B10R0.46 COC(=O)C[C@H](O)C(=O)OC O10223 [0,2,0,0,0,0|0,1,1]=4 278 B10R0.85 CCCC[C@H](CC)C(=O)OC D93232 [0,2,0,0,0,0|1,0,0]=3 279 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [0,2,0,0,0,0|1,0,0]=3 280 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [0,2,0,0,0,0|0,1,1]=4 281 B10R0.55 COC(=O)CCCCC(=O)Cl D81982 [0,2,0,0,0,0|1,0,1]=4 282 B10R0.55 COC(=O)CCCCC(=O)O O11605 [0,2,0,0,0,0|1,0,1]=4 283 B10R0.74 CCCCCC#CC(=O)OC D70492 [0,2,0,0,0,0|1,0,0]=3 284 B10R0.74 COC(=O)CCCCCCBr F11980 [0,2,0,0,0,0|1,0,0]=3 285 B10R0.74 COC(=O)CCCCCCN 67874 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.2 CO[C@H]1CCCNC1 32736 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.2 CO[C@H]1CCCNC1 32744 [1,0,0,1,0,0|1,0,1]=4 288 B8R1.2 CO[C@H]1CCCNC1 37169 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.2 CO[C@H]1CCCNC1 37171 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.2 CO[C@H]1CCCNC1 AB7412 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.8 CNC[C@H]1CCOC1 P16261 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.49 C1=CCCCCCC1 D89499 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [1,0,0,1,0,0|1,1,0]=4 295 B8R1.3 CC1CCC(=O)CC1 P20542 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.3 CN1CCC(=O)CC1 67677 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.3 NC1CCC(=O)CC1 24439 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.3 O=C1CCC(O)CC1 24546 [1,0,0,1,0,0|1,1,0]=4 300 B8R1.3 O=C1CC[C@H](O)CN1 62216 [1,0,0,1,0,0|1,1,0]=4 301 B8R1.3 O=C1CC[C@H](O)CN1 62217 [1,0,0,1,0,0|1,1,0]=4 302 B8R1.38 COC(=O)C1CCC1 TD1247 [1,0,0,1,0,0|0,0,0]=2 303 B8R1.38 COC(=O)C1CNC1 27444 [1,0,0,1,0,0|1,0,0]=3 304 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [1,0,0,1,0,0|1,0,0]=3 306 B8R1.38 NNC(=O)C1CCC1 P10255 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.38 O=C(CBr)C1CCC1 P18349 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [1,0,0,1,0,0|1,1,0]=4 309 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [1,0,0,1,0,0|1,0,0]=3 310 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|1,0,0]=3 316 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.4 O=C1CCCC(=O)C1 70018 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.7 CC(=O)N1CCCC1 A12496 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.7 O=C(O)C1CC=CC1 68357 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.7 O=C(O)[C@@H]1CSCN1 26064 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.7 O=C(O)[C@@H]1CSCN1 D97373 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.7 O=C(O)[C@@H]1CSCN1 O10231 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,1,0,0|1,0,0]=3 339 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,1,0,0|1,0,0]=3 341 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,1,0,0|0,1,0]=3 342 B8R1.34 CC(=O)NC1CNC1 38121 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|1,0,0]=3 344 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|1,0,0]=3 345 B10R1.13 CC(C)C1CCC(=O)CC1 28968 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.13 CN(C)C1CCC(=O)CC1 25279 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.14 COC(=O)C1CCC(N)C1 31701 [0,1,0,1,0,0|1,0,0]=3 348 B10R1.14 COC(=O)N1CCC(=O)C1 O11916 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 64392 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 64393 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 AB3989 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [0,1,0,1,0,0|1,0,0]=3 353 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 64818 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 21005 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 28347 [0,1,0,1,0,0|2,0,0]=4 356 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 23840 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 62580 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 21282 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 Y10581 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.54 CC(C)C[C@H]1COC(=O)N1 AC1174 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.153 COC(=O)CCNC1CC1 32671 [0,1,0,1,0,0|1,0,0]=3 363 B10R1.408 COC(=O)C1CC1C(=O)O P15322 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.11 CCOC(=O)C1CC=CC1 H11362 [0,1,0,1,0,0|1,0,1]=4 365 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.11 CCOC(=O)[C@@H]1CSCN1 F17226 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [0,1,0,1,0,0|1,0,0]=3 372 B10R1.135 CCOC(=O)C1CC1C=O C73848 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.137 CCOC(=O)CC1CCC1 83274 [0,1,0,1,0,0|1,0,0]=3 374 B10R1.138 CCOC(=O)CNC1CC1 20926 [0,1,0,1,0,0|2,0,0]=4 375 B10R1.15 CCC(=O)C1CCNCC1 D80905 [0,1,0,1,0,0|2,0,0]=4 376 B10R1.15 CNC(=O)C1CCNCC1 Y10624 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.15 CNC(=O)C1CCNCC1 Y10987 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.15 COC(=O)C1=CCCCC1 O11977 [0,1,0,1,0,0|1,0,1]=4 379 B10R1.15 COC(=O)C1=CCOCC1 39206 [0,1,0,1,0,0|0,1,1]=4 380 B10R1.15 COC(=O)C1=COCCC1 F52671 [0,1,0,1,0,0|0,1,1]=4 381 B10R1.15 COC(=O)C1CCCCC1 D77686 [0,1,0,1,0,0|1,0,0]=3 382 B10R1.15 COC(=O)C1CCNCC1 64367 [0,1,0,1,0,0|1,0,0]=3 383 B10R1.15 COC(=O)C1CCNCC1 F11229 [0,1,0,1,0,0|1,0,0]=3 384 B10R1.15 COC(=O)C1CCOCC1 63174 [0,1,0,1,0,0|0,1,0]=3 385 B10R1.15 COC(=O)N1CCNCC1 63508 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.15 COC(=O)[C@@H]1CC=CCC1 H10726 [0,1,0,1,0,0|1,0,0]=3 387 B10R1.15 COC(=O)[C@@H]1CC=CCC1 P18355 [0,1,0,1,0,0|1,0,0]=3 388 B10R1.15 COC(=O)[C@@H]1CCCCN1 26190 [0,1,0,1,0,0|1,0,0]=3 389 B10R1.15 COC(=O)[C@@H]1CCCCN1 33254 [0,1,0,1,0,0|1,0,0]=3 390 B10R1.15 COC(=O)[C@@H]1CCCCN1 68797 [0,1,0,1,0,0|1,0,0]=3 391 B10R1.15 COC(=O)[C@@H]1CCCCN1 C10695 [0,1,0,1,0,0|1,0,0]=3 392 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.15 COC(=O)[C@@H]1CNCCN1 65230 [0,1,0,1,0,0|1,0,0]=3 394 B10R1.15 COC(=O)[C@@H]1CNCCN1 68439 [0,1,0,1,0,0|1,0,0]=3 395 B10R1.15 COC(=O)[C@@H]1CNCCN1 70261 [0,1,0,1,0,0|1,0,0]=3 396 B10R1.15 COC(=O)[C@@H]1CNCCO1 72534 [0,1,0,1,0,0|1,0,0]=3 397 B10R1.15 COC(=O)[C@@H]1CNCCO1 77678 [0,1,0,1,0,0|1,0,0]=3 398 B10R1.15 COC(=O)[C@@H]1CNCCO1 77679 [0,1,0,1,0,0|1,0,0]=3 399 B10R1.15 COC(=O)[C@@H]1COCCN1 77674 [0,1,0,1,0,0|0,1,0]=3 400 B10R1.15 COC(=O)[C@@H]1COCCN1 AC2358 [0,1,0,1,0,0|0,1,0]=3 401 B10R1.15 COC(=O)[C@@H]1COCCN1 S10486 [0,1,0,1,0,0|0,1,0]=3 402 B10R1.15 COC(=O)[C@H]1CCCNC1 26438 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.15 COC(=O)[C@H]1CCCNC1 64008 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.15 COC(=O)[C@H]1CCCNC1 78888 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.15 COC(=O)[C@H]1CCCNC1 AB1541 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.15 COC(=O)[C@H]1CCCOC1 SC3171 [0,1,0,1,0,0|0,1,0]=3 407 B10R1.184 COC(=O)[C@@H](N)CC1CC1 D80594 [0,1,0,1,0,0|1,0,0]=3 408 B10R1.275 CN1CCCC[C@H](N)C1=O 11067 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.411 COC(=O)C1(N)CCCC1 36697 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.411 COC(=O)C1(N)CCCC1 64390 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.411 COC(=O)[C@]1(C)CCCN1 72717 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.411 COC(=O)[C@]1(C)CCCN1 85144 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.27 COC(=O)CC1CCCC1 F11964 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.134 COC(=O)CC(=O)C1CC1 71192 [0,1,0,1,0,0|1,0,1]=4 415 B10R1.149 COC(=O)[C@@H]1CCCC1=O FD9017 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.149 COC(=O)[C@@H]1COCC1=O 39228 [0,1,0,1,0,0|0,1,1]=4 417 B10R1.149 COC(=O)[C@@H]1CSCC1=O 96575 [0,1,0,1,0,0|0,0,1]=3 418 B10R1.1 CCCC1CCC(=O)CC1 65224 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.1 CCCN1CCC(=O)CC1 F17115 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.1 CCOC1CCC(=O)CC1 F31362 [0,1,0,1,0,0|1,1,0]=4 421 B10R1.2 CN1C(=O)CCC[C@@H]1CN P14725 [0,1,0,1,0,0|2,0,0]=4 422 B10R2.2 O=C1CC2CNCC2C1 P12510 [0,0,0,2,0,0|2,0,0]=4 423 B10R2.14 O=C1C[C@H](C2CC2)CN1 Y10368 [0,0,0,2,0,0|2,0,0]=4