0 B8R0.1 C#CCCC(=O)OCC 90044 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.1 C=CCCC(=O)OCC H10612 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.1 CCC#CC(=O)OCC AB21618 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.1 CCOC(=O)CCCBr F11167 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.1 CCOC(=O)CCCI 74907 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.1 CCOC(=O)CCCN 20516 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.1 CCOC(=O)CCNC 30981 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.1 CCOC(=O)CCOC D91424 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.1 CCOC(=O)CCSC D90571 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.1 CCOC(=O)CN=C=O AC9274 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.1 CCOC(=O)CN=C=S D91182 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.1 CCOC(=O)CNC=O FD21624 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.1 CCOC(=O)NCCCl 61494 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.1 CCOC(=O)\C=C\C=O 35745 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.1 CCOC(=O)\C=C\CBr 12202 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.1 CCOCC(=O)OCC D81905 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.1 CCCCCCCBr D78084 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.1 CCCCCCCI D70828 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 CCCCCCCS D90781 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 CCCCOCCCl D89363 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.1 CCCC\C=C\C=O 39424 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 C=CCOC(=O)OC H10625 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.3 CCCCC(=O)CC D90783 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.3 CCCCC(=O)NN 74164 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.3 CCCC[C@H](Br)CBr D93164 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 CCCC[C@H](N)CO A11352 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 CCCC[C@H](N)CO N12322 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.3 CCCC[C@H](O)CO F11270 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.3 CCCOC(=O)OC D83836 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.3 CC\C=C\C(=O)OC S12000 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.3 CNCCC(=O)NC 30723 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.3 CNCCC(=O)OC 32388 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.3 COC(=O)CCC#N 82641 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.3 COC(=O)CCC=O 63110 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.3 COC(=O)CCCBr S11981 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.3 COC(=O)CCCCl 28856 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.3 COC(=O)CCCN 64233 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.3 COC(=O)CN=[N+]=[N-] V10130 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.3 COC(=O)CNC=O C10698 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 COC(=O)\C=C\CBr F11439 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.3 COC(=O)\C=C\CBr O11933 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.3 CO\C=C\C(=O)OC D73879 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.3 CO\C=C\C(=O)OC O11915 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.7 C=CCC(=O)OCC 74919 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.7 CC#CC(=O)OCC 33793 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.7 CCCC(=O)OCCl F20378 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.7 CCCC(N)CCC 28065 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.7 CCCC(O)CCC H10221 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.7 CCCN(C)CCC D95729 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.7 CCNC(=O)CC#N S10551 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.7 CCNC(=O)NCC F11262 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.7 CCOC(=O)CCBr F11254 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.7 CCOC(=O)CCCl D89381 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.7 CCOC(=O)CCI 23721 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.7 CCOC(=O)CCN AC7506 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.7 CCOC(=O)CCO 30936 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.7 CCOC(=O)CCS D87716 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.7 CCOC(=O)CNC 73271 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.7 CCOC(=O)CNN 35068 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.7 CCOC(=O)COC F11239 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.7 CCOC(=O)CSC I10203 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.7 CCOC(=O)OCC D97668 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.7 CCOC(=O)OCCl 23781 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.7 CCOC(=O)\C=C/Br T70763 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.7 CCOC(=O)\C=C/I D81841 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.7 CCOC(=O)\C=C\I 72163 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.7 CCOP(Cl)OCC H10781 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.7 CCO[PH](=O)OCC 28436 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.7 O=C(CCCl)CCCl 35039 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [1,0,0,0,0,0|1,0,1]=3 71 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,1,0,0,0,0|2,0,1]=4 72 B9R0.5 CCCCNC(=O)CC#N D70031 [0,1,0,0,0,0|2,0,1]=4 73 B9R0.5 CCCNCC(=O)OCC 20892 [0,1,0,0,0,0|0,0,0]=1 74 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,1,0,0,0,0|0,0,1]=2 75 B9R0.5 CCOC(=O)CCCCBr 78992 [0,1,0,0,0,0|0,0,0]=1 76 B9R0.5 CCOC(=O)COCCCl 30785 [0,1,0,0,0,0|1,0,0]=2 77 B9R0.5 CCOC=CC(=O)OCC CL4510 [0,1,0,0,0,0|0,0,2]=3 78 B9R0.5 CCO\C=C\C(=O)OCC F11937 [0,1,0,0,0,0|0,0,2]=3 79 B9R0.5 C\C=C\C=C\C(=O)OCC D78104 [0,1,0,0,0,0|0,0,3]=4 80 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,1,0,0,0,0|2,0,0]=3 81 B9R0.8 CON(C)C(=O)CCCCl W16956 [0,1,0,0,0,0|3,0,0]=4 82 B9R0.18 C=CCOC(=O)NCCN I11289 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.18 CCCCC(N)CCCC 81547 [0,1,0,0,0,0|2,0,1]=4 84 B9R0.18 CCCCC(O)CCCC D91684 [0,1,0,0,0,0|1,0,2]=4 85 B9R0.18 CCCNC(=O)NCCC W13743 [0,1,0,0,0,0|2,0,0]=3 86 B9R0.18 O=C(CCCCl)CCCCl O10356 [0,1,0,0,0,0|2,0,0]=3 87 B9R0.18 O=C(NCCO)NCCO D94860 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,1,0,0,0,0|0,0,1]=2 91 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.34 CCOC(=O)CC(=O)NC F20489 [0,1,0,0,0,0|1,0,1]=3 93 B9R0.34 CCOC(=O)CC(=O)NN 76579 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [0,1,0,0,0,0|1,0,0]=2 95 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [0,1,0,0,0,0|1,0,0]=2 96 B9R0.34 CCOC(=O)\C=C(/C)NC AC7636 [0,1,0,0,0,0|1,0,2]=4 97 B9R0.35 C=CC[C@H](C)C(=O)OCC D90556 [0,1,0,0,0,0|0,0,2]=3 98 B9R0.35 CCCC(=O)C(=O)OCC 34423 [0,1,0,0,0,0|0,0,1]=2 99 B9R0.35 CCCC(=O)[C@@H](O)CCC D88723 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,1,0,0,0,0|0,0,0]=1 101 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,1,0,0,0,0|0,0,0]=1 102 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,1,0,0,0,0|0,0,0]=1 103 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.35 CCOC(=O)[C@@H](Br)CCBr AB1432 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,1,0,0,0,0|1,0,0]=2 106 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,1,0,0,0,0|1,0,1]=3 107 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,1,0,0,0,0|1,0,1]=3 108 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,1,0,0,0,0|0,0,1]=2 109 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,1,0,0,0,0|0,0,0]=1 110 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,1,0,0,0,0|1,0,1]=3 111 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.48 CCOC(=O)\C=C\N(C)C D78277 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.48 CCOC(=O)\C=C\N(C)C F20318 [0,1,0,0,0,0|1,0,2]=4 114 B9R0.66 CCO[Si](C)(C)CCCN D77987 [0,1,0,0,0,0|2,1,0]=4 115 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.8 CCOC1CCNCC1 D95786 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.8 CCO[C@H]1CCCNC1 75813 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.8 ClCOC1CCCCC1 D89466 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.8 NCCC1=CCCCC1 D87820 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.12 BrCCCC1OCCO1 77883 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.12 CCCCC1=CC=CO1 D88935 [0,0,0,1,0,0|1,0,2]=4 122 B9R1.12 CCCCN1CCCC1 D94689 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.12 CCCC[C@H]1CCCN1 D83453 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.12 ClCCCC1OCCO1 TD8141 [0,0,0,1,0,0|1,0,2]=4 125 B9R1.15 CC[C@@H]1NCCNC1=O 60848 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,0,0,1,0,0|1,0,0]=2 127 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.15 N#C[C@H]1CCCCC1=O W17330 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.27 CCC1=C(C)CNC1=O 45314 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.27 CCC1C(=O)CCC1=O A10931 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.27 CCN1C(=O)CCC1=O F16391 [0,0,0,1,0,0|2,0,1]=4 132 B9R1.33 CCCN1CCCC1=O 65466 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.33 NCCN1CCCC1=O 60045 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.33 NCCN1CCNC1=O H10573 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.33 O=C1CCCN1CCCl 71142 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.33 O=C1CCCN1CCO AT12426 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.33 O=C1NCCN1CCO AT18735 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.33 O=C1OCCN1CCCl W16070 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,0,0,1,0,0|1,0,1]=3 141 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.49 CN1CCCC(=O)CC1 34283 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.49 CN1CCNC(=O)CC1 64338 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.50 NC1CCCCCCC1 D89372 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.50 O=C1CCCCCCC1 78195 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.50 O=C1CCCCCCN1 35268 [0,0,0,1,0,0|1,0,0]=2 147 B9R1.50 O=C1CCCCCCO1 D94278 [0,0,0,1,0,0|0,0,0]=1 148 B9R1.50 OC1CCCCCCC1 D89280 [0,0,0,1,0,0|1,0,2]=4 149 B9R1.69 CC1CCC(=O)CC1C 90794 [0,0,0,1,0,0|1,0,0]=2 150 B9R1.73 CCOC(=O)C1CCC1 11047 [0,0,0,1,0,0|0,0,0]=1 151 B9R1.73 CCOC(=O)C1CNC1 60712 [0,0,0,1,0,0|1,0,0]=2 152 B9R1.73 N#CCC(=O)C1CCC1 83493 [0,0,0,1,0,0|2,0,1]=4 153 B9R1.75 CCOC(=O)C=C1CC1 95464 [0,0,0,1,0,0|0,0,2]=3 154 B9R1.75 CCOC(=O)CC1CC1 F51522 [0,0,0,1,0,0|0,0,0]=1 155 B9R1.134 CCC[N+]1(C)CCCC1 T72998 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F CS3357 [0,0,0,1,0,0|1,0,0]=2 157 B6R0.6 CCCCCCI F20355 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.6 CCCCCCN F19564 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.6 CCCCCNC D91584 [2,0,0,0,0,0|1,0,1]=4 160 B6R0.6 CCCNCCC D89745 [2,0,0,0,0,0|1,0,1]=4 161 B6R0.6 CCC\C=C\CO D78301 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.6 CCNCCCN D82016 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.6 CCNCCCO 31655 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.6 CCNCCOC H11999 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.6 CCOCCCCl D95770 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.6 CCOCCCO D95933 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.6 CC\C=C/CCO 73722 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.6 COCCCCBr F13727 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.6 COCCCCCl 28715 [2,0,0,0,0,0|1,0,1]=4 170 B6R0.6 COCCCCO D78159 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.6 COCCOCCl H11303 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.1 C#CC(=O)OCC 35931 [2,0,0,0,0,0|0,0,2]=4 173 B6R0.1 C=CCC(=O)OC F15018 [2,0,0,0,0,0|0,0,2]=4 174 B6R0.1 CC#CC(=O)OC D73343 [2,0,0,0,0,0|0,0,2]=4 175 B6R0.1 CCC(=O)CC#N 28991 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.1 CCCC(=O)CC D90801 [2,0,0,0,0,0|0,0,0]=2 177 B6R0.1 CCCC(=O)NN O11707 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.1 CCCC(=O)SC D91533 [2,0,0,0,0,0|0,1,0]=3 179 B6R0.1 CCC[C@@H](Cl)CC D76318 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.1 CCOC(=N)CC W15737 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.1 CCOC(=O)CN C93496 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.1 CCOC(=O)CO 39380 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.1 CCOC(=O)CS F21271 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.1 CCOC(=O)NC D91332 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.1 CCOC(=O)NN D77690 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.1 CCOC(=O)OC A11149 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.1 CCO[C@@H](C)CC D88933 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.1 CNCC(=O)NC 71568 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.1 CNCC(=O)OC 73733 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.1 COC(=O)CC#N D77797 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.1 COC(=O)CCBr AB7483 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.1 COC(=O)CCCl D95821 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.1 COC(=O)CCN S12362 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.1 COC(=O)CCO 29940 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.1 COC(=O)CCS D70327 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.1 COC(=O)CSC D87959 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.1 CONC(=O)OC D81547 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.1 C\C=C\C(=O)CC 74326 [2,0,0,0,0,0|0,0,2]=4 199 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.4 C#CCCC(=O)O 90045 [2,0,0,0,0,0|0,0,2]=4 201 B6R0.4 C=C(C)CNCC D95542 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.4 C=CCCC(=O)O O12040 [2,0,0,0,0,0|0,0,2]=4 203 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.4 CC(=O)NCCN D70867 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.4 CC(=O)NCCO FD10637 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.4 CC(=O)NCCS AT13754 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.4 CC(=O)OCCBr C10198 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.4 CC(=O)OCCCl D88201 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.4 CC(=O)OCCO D88371 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.4 CCC#CC(=O)O D84135 [2,0,0,0,0,0|0,0,2]=4 212 B6R0.4 CCCCB(O)O 33151 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|0,0,1]=3 216 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.4 CC\C=C\C(=O)O D72497 [2,0,0,0,0,0|0,0,2]=4 222 B6R0.4 CC\C=C\C(=O)O P17755 [2,0,0,0,0,0|0,0,2]=4 223 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.4 CSCOC(C)=O D88428 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.4 C\C=C\CC(=O)O D92067 [2,0,0,0,0,0|0,0,2]=4 230 B6R0.4 N#CCCC(=O)O 81998 [2,0,0,0,0,0|1,0,1]=4 231 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|1,0,0]=3 236 B8R0.4 CCCCCCCCCl D97411 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.4 CCCCCCCCI W18672 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.4 CCCCCCCCN D91873 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.4 CCCCCCCCN D91878 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.4 CCCCCCCNC D82019 [1,1,0,0,0,0|1,0,1]=4 241 B8R0.4 CCCCC\C=C\CO D91843 [1,1,0,0,0,0|2,0,0]=4 242 B8R0.4 CCCCOCCOC A11001 [1,1,0,0,0,0|2,0,0]=4 243 B8R0.4 CCCC[SnH4+2]CCCC D95293 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.4 CCCC[SnH4+2]CCCC D95356 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.4 CCOCCOCCBr D97193 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.4 CCOCCOCCO D72502 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.6 CCCCC[C@@H](O)CC D78240 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.6 CCCCNC(=O)CC D88679 [1,1,0,0,0,0|2,0,0]=4 249 B8R0.7 CCCCCC[C@H](C)Br F21283 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.7 CCCCCC[C@H](C)O AC1155 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.7 CCCCCC[C@H](C)O D71187 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.7 CCCCCC[C@H](C)O D81747 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,1,0,0,0,0|0,0,0]=2 254 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,1,0,0,0,0|0,0,0]=2 255 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,1,0,0,0,0|0,0,0]=2 256 B8R0.3 CCOC(=O)C(=O)CC RB3244 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,1,0,0,0,0|1,0,0]=3 258 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,1,0,0,0,0|1,0,0]=3 259 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,1,0,0,0,0|1,0,0]=3 260 B8R0.8 CC(C)C(=O)NCCN D86303 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.8 CCCCC(=O)C(C)C D91376 [1,1,0,0,0,0|0,0,0]=2 262 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [1,1,0,0,0,0|1,0,0]=3 263 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [1,1,0,0,0,0|2,0,0]=4 264 B8R0.9 CC(C)CNC(=O)CCl F20035 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,1,0,0,0,0|1,0,0]=3 267 B8R0.9 COC(=O)CCC(=O)Cl S11982 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.9 COC(=O)CCC(=O)O 73736 [1,1,0,0,0,0|1,0,1]=4 269 B8R0.9 COC(=O)CCC(C)=O H11992 [1,1,0,0,0,0|0,0,1]=3 270 B8R0.9 COC(=O)CCC(N)=O D92260 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.9 COC(=O)CCN(C)C 32618 [1,1,0,0,0,0|1,0,0]=3 272 B8R0.9 COC(=O)CC[S@](=O)[O-] F16696 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.11 CCCCN(CC)CC D94767 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.11 CCCC[C@H](CC)CBr D77662 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.11 CCCC[C@H](CC)CCl D89423 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.11 CCCC[C@H](CC)CN D90440 [1,1,0,0,0,0|1,0,1]=4 277 B8R0.11 CCCC[C@H](CC)CO D72516 [1,1,0,0,0,0|0,0,2]=4 278 B8R0.11 CCCC[C@H](CC)CS D90586 [1,1,0,0,0,0|0,1,1]=4 279 B8R0.19 CCC(=O)CC(=O)CC O11824 [1,1,0,0,0,0|0,0,1]=3 280 B8R0.19 CCC(=O)CC(=O)OC AC7866 [1,1,0,0,0,0|0,0,1]=3 281 B8R0.19 COC(=O)CC(=O)CCl S12341 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.19 COC(=O)CC(=O)OC D72530 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.5 CC(C)OC(=O)CC#N D97852 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.5 CC(C)OC(=O)OCCl D77787 [1,1,0,0,0,0|2,0,0]=4 285 B8R0.5 CCOC(=O)C=C(C)C O11780 [1,1,0,0,0,0|0,0,2]=4 286 B8R0.5 CCOC(=O)CC(=N)N AR2171 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.5 CCOC(=O)CC(=O)O F20358 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [1,1,0,0,0,0|1,0,1]=4 290 B8R0.5 CCOC(=O)CC(N)=O 33127 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.5 CCOC(=O)CC(N)=S F20893 [1,1,0,0,0,0|1,0,1]=4 292 B8R0.5 CCOC(=O)CN(C)C D78232 [1,1,0,0,0,0|1,0,0]=3 293 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [1,1,0,0,0,0|0,0,0]=2 294 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [1,1,0,0,0,0|0,0,0]=2 295 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [1,1,0,0,0,0|0,0,0]=2 296 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [1,1,0,0,0,0|0,0,0]=2 297 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [1,1,0,0,0,0|0,0,0]=2 298 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [1,1,0,0,0,0|0,0,0]=2 299 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [1,1,0,0,0,0|2,0,0]=4 300 B8R0.5 CCOC(=O)NC(C)=O W18296 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.5 CCOC(=O)O[C@H](C)Cl AC7896 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [1,1,0,0,0,0|0,0,2]=4 303 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [1,1,0,0,0,0|0,0,2]=4 304 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [1,1,0,0,0,0|0,0,2]=4 305 B8R0.22 CCCN(C=O)CCC D70355 [1,1,0,0,0,0|2,0,0]=4 306 B8R0.22 CCCN(CCC)N=O D91709 [1,1,0,0,0,0|2,0,0]=4 307 B8R0.30 CCCS(=O)(=O)CCC D89800 [1,1,0,0,0,0|2,0,0]=4 308 B8R0.30 CCOP(=O)(O)OCC F15034 [1,1,0,0,0,0|2,0,0]=4 309 B8R0.30 CCOP(=O)([O-])OCC D90614 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.30 CCOP(C)(=O)OCC D93192 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.30 CCOP(N)(=O)OCC D90052 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.6 CCCCCC(=O)OC(C)C D89305 [0,2,0,0,0,0|0,0,0]=2 313 B10R0.6 CCCOCC(=O)OC(C)C D81295 [0,2,0,0,0,0|0,0,0]=2 314 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [0,2,0,0,0,0|1,0,1]=4 315 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [0,2,0,0,0,0|1,0,1]=4 316 B10R0.28 CC(C)(C)OC(=O)CCCBr B57460 [0,2,0,0,0,0|1,0,0]=3 317 B10R0.28 CC(C)(C)OC(=O)CCCN 35753 [0,2,0,0,0,0|1,0,0]=3 318 B10R0.28 CC(C)(C)OC(=O)CCCO 56650 [0,2,0,0,0,0|1,0,0]=3 319 B10R0.28 CC(C)(C)OC(=O)NCCBr 54446 [0,2,0,0,0,0|2,0,0]=4 320 B10R0.28 CC(C)(C)OC(=O)NCCCl F10511 [0,2,0,0,0,0|2,0,0]=4 321 B10R0.28 CC(C)(C)OC(=O)NCCN 56286 [0,2,0,0,0,0|2,0,0]=4 322 B10R0.28 CC(C)(C)OC(=O)NCCN 66028 [0,2,0,0,0,0|2,0,0]=4 323 B10R0.28 CC(C)(C)OC(=O)NCCO AB3416 [0,2,0,0,0,0|2,0,0]=4 324 B10R0.28 CC(C)(C)OC(=O)NCCS 28080 [0,2,0,0,0,0|2,0,0]=4 325 B10R0.28 CCNNC(=O)OC(C)(C)C BL009810 [0,2,0,0,0,0|2,0,0]=4 326 B10R0.32 CCOC(=O)C(=O)CC(C)=O F10311 [0,2,0,0,0,0|0,0,2]=4 327 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 39402 [0,2,0,0,0,0|0,0,0]=2 328 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C 61990 [0,2,0,0,0,0|0,0,0]=2 329 B10R0.1 CCOC(=O)CCCCC=O N10652 [0,2,0,0,0,0|0,0,0]=2 330 B10R0.1 CCOC(=O)CCCCCBr 73728 [0,2,0,0,0,0|0,0,0]=2 331 B10R0.1 CCOC(=O)CCCCCN V10012 [0,2,0,0,0,0|0,0,0]=2 332 B10R0.1 CCOC(=O)CCCCCO A11137 [0,2,0,0,0,0|0,0,0]=2 333 B10R0.1 CCOC(=O)COCCCCl AC8364 [0,2,0,0,0,0|0,0,0]=2 334 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [0,2,0,0,0,0|0,0,0]=2 335 B10R0.2 CCOC(=N)CC(=N)OCC D81868 [0,2,0,0,0,0|1,0,1]=4 336 B10R0.2 CCOC(=N)CC(=O)OCC 89099 [0,2,0,0,0,0|0,0,1]=3 337 B10R0.2 CCOC(=O)CC(=O)COC 74076 [0,2,0,0,0,0|0,0,1]=3 338 B10R0.2 CCOC(=O)CC(=O)OCC D78522 [0,2,0,0,0,0|0,0,1]=3 339 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [0,2,0,0,0,0|0,0,0]=2 340 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [0,2,0,0,0,0|0,0,1]=3 341 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [0,2,0,0,0,0|0,0,1]=3 342 B10R0.2 CCOC(=O)NC(=O)OCC AC1286 [0,2,0,0,0,0|1,0,1]=4 343 B10R0.2 CCOC(=O)OC(=O)OCC H11295 [0,2,0,0,0,0|1,0,1]=4 344 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,2,0,0,0,0|1,0,1]=4 345 B10R0.3 CCOC(=O)CCCC(=O)Cl D90519 [0,2,0,0,0,0|0,0,1]=3 346 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [0,2,0,0,0,0|0,0,1]=3 347 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,2,0,0,0,0|0,0,0]=2 348 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [0,2,0,0,0,0|0,0,0]=2 349 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [0,2,0,0,0,0|0,0,0]=2 350 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [0,2,0,0,0,0|0,0,0]=2 351 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [0,2,0,0,0,0|0,0,0]=2 352 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [0,2,0,0,0,0|0,0,0]=2 353 B10R0.19 CCO\C=C(/C)C(=O)OCC W11446 [0,2,0,0,0,0|0,0,2]=4 354 B10R0.19 CCO\C=C(\C)C(=O)OCC AC2259 [0,2,0,0,0,0|0,0,2]=4 355 B10R0.83 CCCCOC(=O)[C@@H](C)CC D95649 [0,2,0,0,0,0|1,0,0]=3 356 B10R0.91 C#CCOC(=O)NCCCC D81823 [0,2,0,0,0,0|0,0,1]=3 357 B10R0.91 C=CCOC(=O)CCCCC A50641 [0,2,0,0,0,0|0,0,1]=3 358 B10R0.91 C=CCOC(=O)NCCCN F51395 [0,2,0,0,0,0|1,0,1]=4 359 B10R0.91 CCCCCC(=O)OCCC D92174 [0,2,0,0,0,0|0,0,0]=2 360 B10R0.91 CCCCOC(=O)CCCC D89067 [0,2,0,0,0,0|0,0,0]=2 361 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [0,2,0,0,0,0|0,0,1]=3 362 B10R0.108 CCOC(=O)COC(=O)CBr D94338 [0,2,0,0,0,0|1,0,1]=4 363 B10R0.35 CCOC(=O)C(=O)[C@@H](Br)CC F10248 [0,2,0,0,0,0|0,0,1]=3 364 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC FD21806 [0,2,0,0,0,0|0,0,0]=2 365 B10R0.78 CCCCC(=O)OCC(C)C D95777 [0,2,0,0,0,0|0,0,0]=2 366 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [0,2,0,0,0,0|0,0,1]=3 367 B10R0.26 CCOC(=O)CC(=O)C(C)C O11797 [0,2,0,0,0,0|0,0,1]=3 368 B10R0.26 CCOC(=O)CC(=O)C(F)F FD2057 [0,2,0,0,0,0|1,0,1]=4 369 B10R0.33 CCOC(=O)[C@@H](C#N)CC#N 35727 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.129 C=CCC(F)(F)C(=O)OCC AC2284 [0,2,0,0,0,0|0,0,2]=4 371 B10R0.109 CCOC(=O)CCC(C)(C)C AB7193 [0,2,0,0,0,0|0,0,0]=2 372 B10R0.109 CCOC(=O)CCC(F)(F)F F21312 [0,2,0,0,0,0|1,0,0]=3 373 B10R0.109 CCOC(=O)OCC(F)(F)F D93608 [0,2,0,0,0,0|2,0,0]=4 374 B8R1.2 BrCC1CCOCC1 54616 [1,0,0,1,0,0|1,0,1]=4 375 B8R1.2 CC[C@H]1CCCCN1 D90478 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.2 CNC1CCOCC1 32360 [1,0,0,1,0,0|1,0,1]=4 377 B8R1.2 CNC1CCOCC1 AB1551 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.2 ICC1CCOCC1 62810 [1,0,0,1,0,0|1,0,1]=4 379 B8R1.2 NCC1CCOCC1 51888 [1,0,0,1,0,0|1,0,1]=4 380 B8R1.2 NCC1CCOCC1 AB1593 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.2 OCC1CCOCC1 66550 [1,0,0,1,0,0|1,0,1]=4 382 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [1,0,0,1,0,0|1,0,1]=4 384 B8R1.8 CCO[C@H]1CCNC1 31293 [1,0,0,1,0,0|1,0,1]=4 385 B8R1.8 CNC[C@H]1CCOC1 P16261 [1,0,0,1,0,0|1,0,1]=4 386 B8R1.22 C[C@H]1CCCNCC1 72644 [1,0,0,1,0,0|1,0,1]=4 387 B8R1.49 C1=CCCCCCC1 D89499 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|1,0,0]=3 389 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [1,0,0,1,0,0|1,0,1]=4 390 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.1 O=C1CC[C@H](CO)N1 65450 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.1 O=C1CC[C@H](CO)N1 65451 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.1 O=C1CC[C@H](CO)N1 78078 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.1 O=C1CC[C@H](CO)O1 60100 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.1 O=C1CC[C@H](CO)O1 60102 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.3 CC1CCC(=O)CC1 P20542 [1,0,0,1,0,0|0,0,0]=2 400 B8R1.3 CN1CCC(=O)CC1 67677 [1,0,0,1,0,0|1,0,0]=3 401 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [1,0,0,1,0,0|1,0,1]=4 402 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [1,0,0,1,0,0|1,0,1]=4 403 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [1,0,0,1,0,0|1,0,1]=4 404 B8R1.3 NC1CCC(=O)CC1 24439 [1,0,0,1,0,0|1,0,0]=3 405 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.3 O=C1CCC(=O)CC1 F11265 [1,0,0,1,0,0|1,0,1]=4 407 B8R1.3 O=C1CCC(O)CC1 24546 [1,0,0,1,0,0|1,0,0]=3 408 B8R1.3 O=C1CC[C@H](O)CN1 62216 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.3 O=C1CC[C@H](O)CN1 62217 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.38 COC(=O)C1CCC1 TD1247 [1,0,0,1,0,0|0,0,0]=2 411 B8R1.38 COC(=O)C1CNC1 27444 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [1,0,0,1,0,0|1,0,0]=3 413 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [1,0,0,1,0,0|1,0,0]=3 414 B8R1.38 NNC(=O)C1CCC1 P10255 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.38 O=C(CBr)C1CCC1 P18349 [1,0,0,1,0,0|1,0,0]=3 416 B8R1.38 O=C(CCl)N1CCC1 71566 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.40 NCC(=O)NC1CC1 AB1061 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.40 O=C(CCl)NC1CC1 F19977 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.50 CC1C(=O)CCC1=O P10004 [1,0,0,1,0,0|1,0,1]=4 420 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [1,0,0,1,0,0|1,0,0]=3 422 B8R1.52 CCC1(O)CCCC1 AC8353 [1,0,0,1,0,0|0,0,2]=4 423 B8R1.52 CC[N+]1(C)CCCC1 D90580 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|1,0,1]=4 426 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|1,0,0]=3 429 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|1,0,0]=3 431 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|1,0,0]=3 432 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|0,0,0]=2 433 B8R1.4 C[C@H]1COCC(=O)N1 88852 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.4 C[C@H]1COCC(=O)N1 88853 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [1,0,0,1,0,0|1,0,1]=4 439 B8R1.37 CCOC(=N)C1CC1 AC2329 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.37 CCOC(=O)C1CC1 FD10459 [1,0,0,1,0,0|0,0,0]=2 441 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [1,0,0,1,0,0|1,0,0]=3 442 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [0,1,0,1,0,0|1,0,1]=4 443 B10R1.130 CCCC1=CC(=O)O[C@@H]1O SC5106 [0,1,0,1,0,0|1,0,1]=4 444 B10R1.10 CCCC1CCOC(C)S1 D91574 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [0,1,0,1,0,0|1,0,0]=3 446 B10R1.10 CCOC1=CC(=O)CCC1 60943 [0,1,0,1,0,0|1,0,1]=4 447 B10R1.11 CCNC(=O)[C@@H]1CCCN1 73274 [0,1,0,1,0,0|1,0,0]=3 448 B10R1.11 CCOC(=O)C1CC=CC1 H11362 [0,1,0,1,0,0|0,0,1]=3 449 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [0,1,0,1,0,0|0,0,0]=2 450 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [0,1,0,1,0,0|0,0,0]=2 451 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [0,1,0,1,0,0|0,0,0]=2 452 B10R1.11 CCOC(=O)[C@@H]1CSCN1 F17226 [0,1,0,1,0,0|1,0,0]=3 453 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [0,1,0,1,0,0|0,0,0]=2 454 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [0,1,0,1,0,0|0,0,0]=2 455 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [0,1,0,1,0,0|0,0,0]=2 456 B10R1.21 BrCCCCC1OCCO1 55379 [0,1,0,1,0,0|0,0,2]=4 457 B10R1.21 ClCCCCC1OCCO1 D83601 [0,1,0,1,0,0|0,0,2]=4 458 B10R1.29 CCCCN1CCCC1=O 56158 [0,1,0,1,0,0|1,0,0]=3 459 B10R1.29 NCCCN1CCCC1=O C16349 [0,1,0,1,0,0|2,0,0]=4 460 B10R1.29 O=C1CCCN1CCCO D87262 [0,1,0,1,0,0|2,0,0]=4 461 B10R1.135 CCOC(=O)C1CC1C=O C73848 [0,1,0,1,0,0|0,0,1]=3 462 B10R1.137 CCOC(=O)C=C1CCC1 RB3329 [0,1,0,1,0,0|0,0,1]=3 463 B10R1.137 CCOC(=O)C=C1COC1 CS1632 [0,1,0,1,0,0|0,0,2]=4 464 B10R1.137 CCOC(=O)CC1CCC1 83274 [0,1,0,1,0,0|0,0,0]=2 465 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [0,1,0,1,0,0|2,0,0]=4 467 B10R1.138 CCOC(=O)CNC1CC1 20926 [0,1,0,1,0,0|0,0,0]=2 468 B10R1.184 CON(C)C(=O)CC1CC1 91959 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.4 C=CC[C@H]1CCCCC1=O 51110 [0,1,0,1,0,0|1,0,1]=4 470 B10R1.4 CCC[C@H]1CCCCC1=O D92072 [0,1,0,1,0,0|1,0,0]=3 471 B10R1.4 CCOC1=CCCCC1=O F13432 [0,1,0,1,0,0|0,0,1]=3 472 B10R1.4 NCCN1CCCCC1=O D93343 [0,1,0,1,0,0|1,0,0]=3 473 B10R1.17 BrCCO[C@@H]1CCCCO1 F30079 [0,1,0,1,0,0|0,0,2]=4 474 B10R1.17 ClCCO[C@@H]1CCCCO1 D83589 [0,1,0,1,0,0|0,0,2]=4 475 B10R1.17 NCCOC1CCCCC1 31463 [0,1,0,1,0,0|1,0,1]=4 476 B10R1.17 OCCOC1CCCCC1 AC7544 [0,1,0,1,0,0|1,0,1]=4 477 B10R1.17 OCCO[C@@H]1CCCCO1 A10671 [0,1,0,1,0,0|0,0,2]=4 478 B10R1.118 C[C@H]1C[C@@H](C)C(=O)OC1=O AC1086 [0,1,0,1,0,0|1,0,1]=4 479 B10R1.140 CCOC(=O)C1CC(=O)C1 82567 [0,1,0,1,0,0|0,0,1]=3 480 B10R1.140 CCOC(=O)C1CC(O)C1 CS1377 [0,1,0,1,0,0|0,0,0]=2 481 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 38022 [0,1,0,1,0,0|0,0,0]=2 482 B10R1.401 CCOC(=O)C1(Br)CCC1 12534 [0,1,0,1,0,0|0,0,0]=2 483 B10R1.401 CCOC(=O)C1(N)CCC1 55028 [0,1,0,1,0,0|0,0,0]=2 484 B10R1.1 CCOC1CCC(N)CC1 D84453 [0,1,0,1,0,0|1,0,1]=4 485 B10R1.63 CC1(C)CCC(=O)OC1=O D89834 [0,1,0,1,0,0|1,0,1]=4 486 B10R2.62 O=C1CN2CCC1CC2 83429 [0,0,0,2,0,0|2,0,0]=4 487 B10R2.62 O=C1CN2CCC1CC2 A10296 [0,0,0,2,0,0|2,0,0]=4 488 B10R2.62 O=C1CN2CCC1CC2 S12072 [0,0,0,2,0,0|2,0,0]=4 489 B10R2.62 O=C1OC2CCC1CC2 D91006 [0,0,0,2,0,0|2,0,0]=4 490 B10R2.71 O=C1CC2CCC(C1)N2 34768 [0,0,0,2,0,0|2,0,0]=4 491 B10R2.71 O=C1CC2CCC(C1)O2 37775 [0,0,0,2,0,0|2,0,0]=4 492 B10R2.2 O=C1CC2CNCC2C1 P12510 [0,0,0,2,0,0|2,0,0]=4 493 B10R2.179 CC12CCCC(=O)C1O2 63324 [0,0,0,2,0,0|2,0,0]=4 494 B10R2.485 O=C(CC1CC1)C2CC2 P15895 [0,0,0,2,0,0|1,0,0]=3