0 B9R1.48 CC1=CC(=O)CCCC1 Amb17593284 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.48 CC1=CC(=O)NCCO1 Amb24451309 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.48 CC1=CC(Cl)CCCC1 Amb27469441 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.48 CC1=CC(N)CCCC1 Amb28040829 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.48 CC1=CCCCC(C)=C1 Amb22365190 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.48 CC1=NCCNC(=O)C1 Amb28187399 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.48 CC1CCCCC(=O)C1 Amb17593325 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.48 CC1CCCCC(=O)N1 Amb22434912 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.48 CC1CCCCC(=O)O1 Amb27792220 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.48 CC1CCCNC(=O)C1 Amb28364919 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.48 CC1CNCCC(=O)N1 Amb27838526 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.48 CC1COCCC(=O)N1 Amb28123242 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.48 CC1CSCCC(=O)N1 Amb27253792 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.48 CN1CCCNC(=O)C1 Amb28282218 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.48 C[C@@H]1CCCCC(=O)C1 Amb26030783 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.48 C[C@@H]1CCCNC(=O)C1 Amb28241573 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.48 C[C@H]1CCCNC(=O)C1 Amb27174761 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.48 O=C1CCCCC(=O)C1 Amb10603368 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.48 O=C1CCCCC(=O)N1 Amb8439258 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.48 O=C1CCCCC(=O)O1 Amb8487366 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.48 O=C1CCCCC(=S)N1 Amb24374795 [0,0,0,0,0,0|1,1,0]=2 21 B9R1.48 O=C1CCCCC(O)C1 Amb27838745 [0,0,0,0,0,0|1,0,2]=3 22 B9R1.48 O=C1CCCCC(O)O1 Amb27424648 [0,0,0,0,0,0|0,0,2]=2 23 B9R1.48 O=C1CCCC[C@H](O)C1 Amb27618242 [0,0,0,0,0,0|1,0,2]=3 24 B9R1.48 O=C1CCCNC(=O)C1 Amb18832700 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.48 O=C1CCCSC(=S)N1 Amb27202292 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.48 OC1C=C(Br)CCCC1 Amb28455049 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.22 BrC1=CCCCCC1 Amb10071167 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.22 C=C1OCCCCO1 Amb22228877 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.22 CC1=CCCCCC1 Amb22227978 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.22 CC1CCCCCO1 Amb22364798 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.22 NC1=NCCCCC1 Amb19514661 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.22 NC1=NCCCCC1 Amb4451463 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.22 NC1C=CCCCC1 Amb24377373 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.22 O=C1C=CC=CCC1 Amb17593120 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.22 O=C1C=CCC=CC1 Amb28316220 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.22 O=C1C=CCCC=C1 Amb22364722 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.22 O=C1C=CCCCC1 Amb10601704 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.22 O=C1C=CCCCN1 Amb22500450 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.22 O=C1C=CNCCS1 Amb27655609 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.22 O=C1C=CSCCN1 Amb27202061 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.22 O=C1CC=CCCC1 Amb24450177 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.22 O=C1CC=CCCN1 Amb27830230 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.22 O=C1CC=COCC1 Amb27835241 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.22 O=C1CCCCCC1 Amb4135729 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.22 O=C1CCCCCN1 Amb6364991 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.22 O=C1CCCCCO1 Amb8513719 [1,0,0,0,0,0|0,0,1]=2 47 B8R1.22 O=C1CCCCCS1 Amb25810807 [1,0,0,0,0,0|0,1,1]=3 48 B8R1.22 O=C1CCCCC[N-]1 Amb24117486 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.22 O=C1CCCCNC1 Amb22000936 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.22 O=C1CCCCNC1 Amb25922210 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.22 O=C1CCCNCC1 Amb8393630 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.22 O=C1CCCNCC1 Amb9174228 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.22 O=C1CCCOCC1 Amb25873789 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.22 O=C1CCCSCC1 Amb25318842 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.22 O=C1CCCSCN1 Amb27879423 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.22 O=C1CCNCCN1 Amb10069937 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.22 O=C1CCNCCN1 Amb1107713 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.22 O=C1CCNCCN1 Amb483265 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.22 O=C1CCNCCO1 Amb27760600 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.22 O=C1CCOCCN1 Amb13951193 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.22 O=C1CCOCOC1 Amb27434094 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.22 O=C1CCSCCN1 Amb21912439 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.22 O=C1CNCCCN1 Amb22754482 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.22 O=C1CNCCCN1 Amb6739889 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.22 O=C1CNCCNC1 Amb30867934 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.22 O=C1COCCCN1 Amb22371065 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.22 O=C1COCCOC1 Amb22284314 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.22 O=C1CSCCSC1 Amb8503291 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.22 O=C1NCCCCN1 Amb25960043 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.22 O=C1NCCCCO1 Amb27405440 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.22 O=C1OCCCCO1 Amb25350626 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.22 O=S1OCCCCO1 Amb9787325 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.22 OC1C=CCCCC1 Amb26034783 [1,0,0,0,0,0|1,0,2]=4 74 B8R1.22 OC1CCCCCO1 Amb4034492 [1,0,0,0,0,0|0,0,3]=4 75 B8R1.22 O[C@@H]1C=CCCCC1 Amb28205998 [1,0,0,0,0,0|1,0,2]=4 76 B8R1.22 S=C1CCCCCN1 Amb1935077 [1,0,0,0,0,0|1,1,1]=4 77 B10R1.162 C#CC1CCCCC(=O)C1 Amb26392074 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.162 C#C[C@@H]1CCCCC(=O)C1 Amb27954106 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.162 C=CC1CCCCC(=O)N1 Amb27783267 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.162 CCC1=CCCCC(=O)N1 Amb27797382 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.162 CCC1CCCCC(=O)C1 Amb28126018 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.162 CC[C@@H]1CCCCC(=O)C1 Amb27236500 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.162 CC[C@H]1CCCCC(=O)C1 Amb27615128 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.162 COC1=CC(=O)NCCC1 Amb26589953 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.162 N#CC1CCCCC(=O)C1 Amb27484999 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.162 N#CC1CCCCC(=O)N1 Amb27235918 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.162 NCC1CCCCC(=O)N1 Amb19515401 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.162 O=C1CCCC=C(CBr)C1 Amb27873364 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.162 O=C1CCCCC(CBr)O1 Amb28342313 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.162 O=C1CCCCC(CCl)N1 Amb19515430 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.162 O=C1CCCCC(CO)N1 Amb19515428 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.162 O=C1CCCCC(CO)O1 Amb27663769 [0,1,0,0,0,0|0,0,2]=3 93 B10R1.162 O=C1CCCCC(CO)S1 Amb27850067 [0,1,0,0,0,0|0,1,2]=4 94 B10R1.162 O=C1CCCC[C@@H](CO)N1 Amb24117963 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.162 O=C1CCCC\C(=N/O)N1 Amb27614220 [0,1,0,0,0,0|1,0,1]=3 96 B10R1.162 O=C1C\C(=N\O)CCCN1 Amb27796307 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.275 CC1=C(Cl)CCCNC1=O Amb28186615 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.275 CC1C(=O)CCCCN1C Amb28122119 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.275 CC1CCCCC(=O)C1C Amb27403026 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.275 C[C@@H]1C(=O)CCCC[C@H]1C Amb28253816 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.275 NN1C(=O)CCCNC1=O Amb35691288 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.275 O=C1CCCCC(=O)C1=O Amb27184609 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.275 O=C1CCCCC(=O)C1Br Amb27446810 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.275 O=C1CCCCC(Br)C1O Amb28049969 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.275 O=C1CCCCC(O)=C1F Amb33714479 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.275 O=C1CCCCC(O)=C1O Amb27598871 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.275 O=C1CCCCC(O)C1O Amb28202222 [0,1,0,0,0,0|1,0,2]=4 108 B10R1.275 O=C1CCCC[C@@H](O)[C@@H]1O Amb28054408 [0,1,0,0,0,0|1,0,2]=4 109 B10R1.275 O=C1CCCC[C@H](O)[C@@H]1O Amb27626893 [0,1,0,0,0,0|1,0,2]=4 110 B10R1.276 CC1(O)CCCCC(=O)C1 Amb27973609 [0,1,0,0,0,0|1,0,2]=4 111 B10R1.276 O=C1CCCCC(F)(F)C1 Amb35789270 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.276 O=C1NCCCS(=O)(=O)O1 Amb27238592 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.277 CC1CCCC(=O)CC1=O Amb25966053 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.277 CC1CCCC(C)C(=O)N1 Amb19335341 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.277 CC1CCCC(N)C(=O)N1 Amb32455738 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.277 CN1CCCC(=O)CC1=O Amb28059213 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.277 CN1CCCC(=O)CC1=S Amb24736355 [0,1,0,0,0,0|2,1,0]=4 118 B10R1.277 CN1CCCC(=O)NC1=O Amb27619696 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.277 C[C@H]1CCC[C@@H](C)C(=O)N1 Amb27860437 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.277 O=C1CCC=C(Cl)C(=O)C1 Amb24737475 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.330 C=C1CCC(=C)CC(=O)C1 Amb27227262 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.330 CC1=CC(=O)NCC(C)C1 Amb27948873 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.330 CC1=CC(=O)NCC(S)C1 Amb27596717 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.330 CC1CC(O)CCC(=O)N1 Amb27613060 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.330 CC1CCC(=O)CC(C)C1 Amb26031131 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.330 CC1CNC(=O)CC(=O)C1 Amb27389897 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.330 C[C@@H]1CCC(=O)C[C@H](C)C1 Amb28430513 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.330 C[C@H]1CCC(=O)C[C@@H](C)C1 Amb28052211 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.330 C[C@H]1CC[C@@H](C)CC(=O)C1 Amb27859428 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.330 C[C@H]1CC[C@@H](C)NC(=O)C1 Amb27624088 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.330 O=C1CNC(=O)NC(=O)C1 Amb1971722 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.1 C#CCC(=O)CCCC Amb8390126 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.1 C=CCC(=O)CCCBr Amb27401886 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.1 C=CCC(=O)CCCC Amb10567269 [0,0,1,0,0,0|2,0,0]=3 135 B8R0.1 C=CCC(=O)CCCN Amb27252862 [0,0,1,0,0,0|3,0,0]=4 136 B8R0.1 C=CCC(=O)COCC Amb27402397 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.1 C=CCC(=O)CSCC Amb27265833 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.1 C=CCC(=O)NCCC Amb27437889 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.1 C=CNC(=O)OCCC Amb27472919 [0,0,1,0,0,0|3,0,0]=4 140 B8R0.1 CC(CCCCl)OC=O Amb28285247 [0,0,1,0,0,0|2,0,1]=4 141 B8R0.1 CC(CCCO)OC=O Amb27978395 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.1 CCCCC(=N)OCC Amb20673140 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.1 CCCCC(=N)OCC Amb26549922 [0,0,1,0,0,0|2,0,1]=4 144 B8R0.1 CCCCC(=O)CC#N Amb7768265 [0,0,1,0,0,0|2,0,1]=4 145 B8R0.1 CCCCC(=O)CCC Amb3940685 [0,0,1,0,0,0|2,0,1]=4 146 B8R0.1 CCCCC(=O)CCN Amb28186730 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.1 CCCCC(=O)CNC Amb25824276 [0,0,1,0,0,0|3,0,0]=4 148 B8R0.1 CCCCC(=O)COC Amb19374627 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.1 CCCCC(=O)CSC Amb27837495 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.1 CCCCC(=O)N=C=O Amb17231844 [0,0,1,0,0,0|1,0,1]=3 151 B8R0.1 CCCCC(=O)N=[N+]=[N-] Amb25888669 [0,0,1,0,0,0|3,0,0]=4 152 B8R0.1 CCCCC(=O)OCC Amb6296060 [0,0,1,0,0,0|1,0,1]=3 153 B8R0.1 CCCCC(=O)OCCl Amb28314260 [0,0,1,0,0,0|1,0,1]=3 154 B8R0.1 CCCCC(=O)\C=C\Cl Amb24650002 [0,0,1,0,0,0|2,0,0]=3 155 B8R0.1 CCCCC(=O)\C=C\O Amb26515841 [0,0,1,0,0,0|1,0,1]=3 156 B8R0.1 CCCCC(=O)\C=N\O Amb27963887 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.1 CCCCC(C)CC=O Amb18642676 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.1 CCCCN(C)CC=O Amb27651977 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.1 CCCC\C(O)=C\C=O Amb27257932 [0,0,1,0,0,0|1,0,1]=3 160 B8R0.1 CCCNC(=O)OCC Amb17787091 [0,0,1,0,0,0|2,0,1]=4 161 B8R0.1 CCCOC(=O)OCCl Amb22054704 [0,0,1,0,0,0|2,0,1]=4 162 B8R0.1 CCNCC(=O)OCC Amb33527965 [0,0,1,0,0,0|2,0,1]=4 163 B8R0.1 CCOC(=O)CCCBr Amb3940218 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.1 CCOC(=O)CCCCl Amb1153203 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.1 CCOC(=O)CCCN Amb2720231 [0,0,1,0,0,0|2,0,1]=4 166 B8R0.1 CCOC(=O)CCCN Amb3938993 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.1 CCOC(=O)CCCO Amb22733346 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.1 CCOC(=O)CCCS Amb27424650 [0,0,1,0,0,0|2,0,1]=4 169 B8R0.1 CCOC(=O)CCNC Amb28934933 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.1 CCOC(=O)CCNC Amb9026169 [0,0,1,0,0,0|2,0,1]=4 171 B8R0.1 CCOC(=O)CSCC Amb7755283 [0,0,1,0,0,0|2,0,1]=4 172 B8R0.1 CCOCC(=O)N=C=O Amb27816899 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.1 CCOCC(=O)OCC Amb2720920 [0,0,1,0,0,0|2,0,1]=4 174 B8R0.1 CCOCC(=O)OCCl Amb32677195 [0,0,1,0,0,0|2,0,1]=4 175 B8R0.1 C\C=C\C(=O)CCCC Amb22043314 [0,0,1,0,0,0|2,0,0]=3 176 B8R0.1 C\C=C\C(=O)NCCC Amb26018237 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.1 O=C=NC(=O)CCCCl Amb17593678 [0,0,1,0,0,0|2,0,1]=4 178 B8R0.5 C=C(C)CC(=O)CNC Amb28126869 [0,0,1,0,0,0|3,0,0]=4 179 B8R0.5 C=C(C)CC(=O)CSC Amb28314038 [0,0,1,0,0,0|3,0,0]=4 180 B8R0.5 C=C(C)CC(=O)OCC Amb17940814 [0,0,1,0,0,0|3,0,0]=4 181 B8R0.5 CC(=O)CC(=O)CC#N Amb24456593 [0,0,1,0,0,0|2,0,1]=4 182 B8R0.5 CC(=O)NC(=O)CC#N Amb2780362 [0,0,1,0,0,0|2,0,1]=4 183 B8R0.5 CC(=O)NC(=O)OCCl Amb29885584 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.5 CC(=O)OC(C)CCCl Amb27801962 [0,0,1,0,0,0|2,0,1]=4 185 B8R0.5 CC(C)=CC(=O)CCO Amb28140067 [0,0,1,0,0,0|3,0,0]=4 186 B8R0.5 CC(C)OC(=O)CCCl Amb3940575 [0,0,1,0,0,0|2,0,1]=4 187 B8R0.5 CC(C)OC(=O)CCN Amb19234917 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.5 CC(C)OC(=O)CCN Amb2371480 [0,0,1,0,0,0|2,0,1]=4 189 B8R0.5 CC(C)OC(=O)CCO Amb27982250 [0,0,1,0,0,0|2,0,1]=4 190 B8R0.5 CC(C)OC(=O)CCS Amb22229342 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.5 CCCC(=O)CC(C)=O Amb9775079 [0,0,1,0,0,0|1,0,0]=2 192 B8R0.5 CCCC(=O)CC(C)C Amb4011926 [0,0,1,0,0,0|2,0,1]=4 193 B8R0.5 CCCC(=O)CC(N)=O Amb28290969 [0,0,1,0,0,0|2,0,0]=3 194 B8R0.5 CCCC(=O)NC(=N)N Amb19148006 [0,0,1,0,0,0|3,0,0]=4 195 B8R0.5 CCCC(=O)NC(C)C Amb2222481 [0,0,1,0,0,0|2,0,1]=4 196 B8R0.5 CCCC(=O)NC(N)=S Amb27390892 [0,0,1,0,0,0|2,1,0]=4 197 B8R0.5 CCCC(=O)\C=C(\C)N Amb25059647 [0,0,1,0,0,0|2,0,0]=3 198 B8R0.5 CCCC(Br)CC(C)=O Amb27974270 [0,0,1,0,0,0|2,0,1]=4 199 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [0,0,1,0,0,0|2,0,1]=4 200 B8R0.5 CCCC(C)OC(=O)Cl Amb27205395 [0,0,1,0,0,0|2,0,1]=4 201 B8R0.5 CCCC(C)OC(C)=O Amb22732559 [0,0,1,0,0,0|1,0,1]=3 202 B8R0.5 CCCC(C)OC(N)=O Amb27150798 [0,0,1,0,0,0|2,0,1]=4 203 B8R0.5 CCCC(Cl)OC(C)=O Amb27490997 [0,0,1,0,0,0|1,0,1]=3 204 B8R0.5 CCCC(N)CC(C)=O Amb28069229 [0,0,1,0,0,0|2,0,1]=4 205 B8R0.5 CCCC(O)CC(C)=O Amb17593376 [0,0,1,0,0,0|1,0,2]=4 206 B8R0.5 CCCC(O)SC(C)=O Amb27807055 [0,0,1,0,0,0|0,1,2]=4 207 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.5 CCCS(=O)CC(C)=O Amb27180126 [0,0,1,0,0,0|2,0,0]=3 209 B8R0.5 CCCS(=O)N=C(C)C Amb35718883 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [0,0,1,0,0,0|1,0,2]=4 211 B8R0.5 CCC[C@H](C)NC(C)=O Amb27655527 [0,0,1,0,0,0|2,0,1]=4 212 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.5 CCC\C(C)=C\C(C)=O Amb28289440 [0,0,1,0,0,0|2,0,0]=3 214 B8R0.5 CCC\C(C)=C\C(N)=O Amb27799064 [0,0,1,0,0,0|3,0,0]=4 215 B8R0.5 CCC\C(C)=N\S(C)=O Amb29849336 [0,0,1,0,0,0|3,0,0]=4 216 B8R0.5 CCC\C(N)=C\C(N)=O Amb27620335 [0,0,1,0,0,0|3,0,0]=4 217 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [0,0,1,0,0,0|3,0,0]=4 218 B8R0.5 CCNC(=O)CC(C)=O Amb6254356 [0,0,1,0,0,0|2,0,0]=3 219 B8R0.5 CCNC(=O)CC(N)=O Amb28058296 [0,0,1,0,0,0|3,0,0]=4 220 B8R0.5 CCNC(=O)OC(C)C Amb26612876 [0,0,1,0,0,0|2,0,1]=4 221 B8R0.5 CCNC(=O)\C=C(\C)Cl Amb27759950 [0,0,1,0,0,0|3,0,0]=4 222 B8R0.5 CCNC(=O)\N=C(/C)N Amb27459288 [0,0,1,0,0,0|3,0,0]=4 223 B8R0.5 CCN\C(C)=C\C(C)=O Amb27843358 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.5 CCOC(=O)C=C(C)C Amb8383887 [0,0,1,0,0,0|3,0,0]=4 225 B8R0.5 CCOC(=O)CC(=O)Cl Amb3939375 [0,0,1,0,0,0|3,0,0]=4 226 B8R0.5 CCOC(=O)CC(=O)O Amb22492654 [0,0,1,0,0,0|3,0,0]=4 227 B8R0.5 CCOC(=O)CC(=O)O Amb3939916 [0,0,1,0,0,0|3,0,0]=4 228 B8R0.5 CCOC(=O)CC(=O)[O-] Amb2221978 [0,0,1,0,0,0|3,0,0]=4 229 B8R0.5 CCOC(=O)CC(C)=O Amb2793050 [0,0,1,0,0,0|2,0,0]=3 230 B8R0.5 CCOC(=O)CC(N)=O Amb8390795 [0,0,1,0,0,0|3,0,0]=4 231 B8R0.5 CCOC(=O)CS(C)=O Amb18177141 [0,0,1,0,0,0|3,0,0]=4 232 B8R0.5 CCOC(=O)NC(C)=N Amb27856131 [0,0,1,0,0,0|3,0,0]=4 233 B8R0.5 CCOC(=O)NC(C)=O Amb4017539 [0,0,1,0,0,0|2,0,0]=3 234 B8R0.5 CCOC(=O)NC(C)=S Amb27777207 [0,0,1,0,0,0|2,1,0]=4 235 B8R0.5 CCOC(=O)NC(N)=O Amb19884044 [0,0,1,0,0,0|3,0,0]=4 236 B8R0.5 CCOC(=O)OC(C)Br Amb27461313 [0,0,1,0,0,0|2,0,1]=4 237 B8R0.5 CCOC(=O)OC(C)Cl Amb8385744 [0,0,1,0,0,0|2,0,1]=4 238 B8R0.5 CCOC(=O)\C=C(/C)N Amb3318595 [0,0,1,0,0,0|3,0,0]=4 239 B8R0.5 CCOC(=O)\C=C(\C)Br Amb30621759 [0,0,1,0,0,0|3,0,0]=4 240 B8R0.5 CCOC(=O)\C=C(\C)Cl Amb27632644 [0,0,1,0,0,0|3,0,0]=4 241 B8R0.5 CCOC(=O)\C=C(\C)I Amb25790655 [0,0,1,0,0,0|3,0,0]=4 242 B8R0.5 CCOC(=O)\C=C(\C)N Amb6608713 [0,0,1,0,0,0|3,0,0]=4 243 B8R0.5 CCOC(C)OC(C)=O Amb17689197 [0,0,1,0,0,0|2,0,1]=4 244 B8R0.5 CCOC(Cl)OC(C)=O Amb28145161 [0,0,1,0,0,0|2,0,1]=4 245 B8R0.5 CCO\C(C)=C/C(C)=O Amb25147210 [0,0,1,0,0,0|3,0,0]=4 246 B8R0.5 CCO\C(C)=C\C(C)=O Amb28134099 [0,0,1,0,0,0|3,0,0]=4 247 B8R0.5 CCSC(=O)CC(=O)O Amb27406351 [0,0,1,0,0,0|3,0,0]=4 248 B8R0.5 CCSC(=O)CC(C)=O Amb27234619 [0,0,1,0,0,0|2,0,0]=3 249 B8R0.5 CCSC(=S)CC(C)=O Amb27838746 [0,0,1,0,0,0|2,1,0]=4 250 B8R0.5 CC\N=C(/C)CC(C)=O Amb28052216 [0,0,1,0,0,0|3,0,0]=4 251 B8R0.5 CNCC(=O)OC(C)C Amb9264538 [0,0,1,0,0,0|2,0,1]=4 252 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,0,1,0,0,0|3,0,0]=4 253 B8R0.5 COCC(=O)CC(C)=O Amb15701314 [0,0,1,0,0,0|2,0,0]=3 254 B8R0.5 COCC(=O)OC(C)C Amb20621999 [0,0,1,0,0,0|2,0,1]=4 255 B8R0.5 COCC(C)OC(C)=O Amb8516695 [0,0,1,0,0,0|2,0,1]=4 256 B8R0.5 COC[C@@H](C)OC(C)=O Amb27460270 [0,0,1,0,0,0|2,0,1]=4 257 B8R0.5 COC\C(C)=C\C(C)=O Amb28323854 [0,0,1,0,0,0|3,0,0]=4 258 B8R0.5 COOC(=O)CC(C)=O Amb24096083 [0,0,1,0,0,0|3,0,0]=4 259 B8R0.5 CSCC(C)OC(C)=O Amb24450062 [0,0,1,0,0,0|2,0,1]=4 260 B8R0.5 NC(=O)NC(=O)CCCl Amb475298 [0,0,1,0,0,0|3,0,0]=4 261 B8R0.5 NCCC(=O)NC(N)=O Amb20623770 [0,0,1,0,0,0|3,0,0]=4 262 B8R0.5 NCCC(=O)NC(N)=O Amb22058738 [0,0,1,0,0,0|3,0,0]=4 263 B8R0.7 C#CCCCCC(=O)Cl Amb28312904 [0,0,1,0,0,0|2,0,1]=4 264 B8R0.7 C#CCCCCC(=O)O Amb2721485 [0,0,1,0,0,0|1,0,1]=3 265 B8R0.7 C#CCCOCC(=O)O Amb28118359 [0,0,1,0,0,0|2,0,1]=4 266 B8R0.7 C#CCOCCC(=O)O Amb9208654 [0,0,1,0,0,0|2,0,1]=4 267 B8R0.7 C=C(Br)CCCCC=O Amb28200066 [0,0,1,0,0,0|2,0,0]=3 268 B8R0.7 C=C(C)CCCCC=O Amb27750320 [0,0,1,0,0,0|2,0,0]=3 269 B8R0.7 C=CC#CCCC(=O)O Amb28422492 [0,0,1,0,0,0|1,0,2]=4 270 B8R0.7 C=CCCC#CC(=O)O Amb28201250 [0,0,1,0,0,0|1,0,2]=4 271 B8R0.7 C=CCCCCB(O)O Amb20171333 [0,0,1,0,0,0|2,0,1]=4 272 B8R0.7 C=CCCCCC(=O)O Amb6299578 [0,0,1,0,0,0|1,0,0]=2 273 B8R0.7 C=CCCCCC(C)=O Amb24546961 [0,0,1,0,0,0|2,0,0]=3 274 B8R0.7 C=CCCCCC(N)=O Amb27236725 [0,0,1,0,0,0|2,0,0]=3 275 B8R0.7 C=CCCCCC(N)=S Amb27950014 [0,0,1,0,0,0|2,1,0]=4 276 B8R0.7 C=CCCCCN(C)O Amb27626977 [0,0,1,0,0,0|3,0,0]=4 277 B8R0.7 C=CCCCC[N+](=O)[O-] Amb9825999 [0,0,1,0,0,0|2,0,1]=4 278 B8R0.7 C=CCCCOC(C)=O Amb6366589 [0,0,1,0,0,0|3,0,0]=4 279 B8R0.7 C=CCCNCC(N)=O Amb33545653 [0,0,1,0,0,0|3,0,0]=4 280 B8R0.7 C=CCCOCC(=O)O Amb7793843 [0,0,1,0,0,0|2,0,0]=3 281 B8R0.7 C=CCCOCC(C)=O Amb27465238 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.7 C=CCCSCC(=O)O Amb27810806 [0,0,1,0,0,0|2,0,0]=3 283 B8R0.7 C=CCC\C=C\C(=O)O Amb25756053 [0,0,1,0,0,0|1,0,2]=4 284 B8R0.7 C=CCNCCC(=O)O Amb33527032 [0,0,1,0,0,0|2,0,0]=3 285 B8R0.7 C=CCNCCC(=O)O Amb7755724 [0,0,1,0,0,0|2,0,0]=3 286 B8R0.7 C=CCNCCC(N)=O Amb8841114 [0,0,1,0,0,0|3,0,0]=4 287 B8R0.7 C=CCOCCC(N)=O Amb27844989 [0,0,1,0,0,0|3,0,0]=4 288 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [0,0,1,0,0,0|1,0,2]=4 289 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [0,0,1,0,0,0|1,0,2]=4 290 B8R0.7 CC#CCCCC(=O)O Amb28046337 [0,0,1,0,0,0|1,0,2]=4 291 B8R0.7 CC(=O)CCCCC#N Amb18642300 [0,0,1,0,0,0|2,0,1]=4 292 B8R0.7 CC(=O)CCCCCBr Amb27401578 [0,0,1,0,0,0|2,0,1]=4 293 B8R0.7 CC(=O)CCCCCCl Amb26591097 [0,0,1,0,0,0|2,0,1]=4 294 B8R0.7 CC(=O)CCCCCN Amb22641918 [0,0,1,0,0,0|2,0,1]=4 295 B8R0.7 CC(=O)CCCCCN Amb24113384 [0,0,1,0,0,0|2,0,1]=4 296 B8R0.7 CC(=O)CCCCCO Amb27237283 [0,0,1,0,0,0|1,0,2]=4 297 B8R0.7 CC(=O)CCCOC=O Amb1033032 [0,0,1,0,0,0|2,0,0]=3 298 B8R0.7 CC(=O)CCC\C=C\Cl Amb26336040 [0,0,1,0,0,0|2,0,1]=4 299 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [0,0,1,0,0,0|1,0,2]=4 300 B8R0.7 CC(=O)OCCNC=O Amb27212825 [0,0,1,0,0,0|3,0,0]=4 301 B8R0.7 CC(=O)SCCCC=O Amb22524698 [0,0,1,0,0,0|2,0,0]=3 302 B8R0.7 CC(C)CCCCC=O Amb18642674 [0,0,1,0,0,0|2,0,1]=4 303 B8R0.7 CC(Cl)CCCCC=O Amb18643832 [0,0,1,0,0,0|2,0,1]=4 304 B8R0.7 CC(O)CCCNC=O Amb28318284 [0,0,1,0,0,0|2,0,1]=4 305 B8R0.7 CC(O)CCCOC=O Amb27946413 [0,0,1,0,0,0|2,0,1]=4 306 B8R0.7 CCCCCCC(=O)Cl Amb3940244 [0,0,1,0,0,0|2,0,1]=4 307 B8R0.7 CCCCCCC(=O)O Amb34915914 [0,0,1,0,0,0|1,0,1]=3 308 B8R0.7 CCCCCCC(=O)O Amb3499439 [0,0,1,0,0,0|1,0,1]=3 309 B8R0.7 CCCCCCC(=O)[O-] Amb22729026 [0,0,1,0,0,0|1,0,2]=4 310 B8R0.7 CCCCCCC(C)=O Amb6891961 [0,0,1,0,0,0|2,0,1]=4 311 B8R0.7 CCCCCCC(N)=O Amb8858816 [0,0,1,0,0,0|2,0,1]=4 312 B8R0.7 CCCCNCC(=O)O Amb7766471 [0,0,1,0,0,0|2,0,1]=4 313 B8R0.7 CCCCOCC(=O)O Amb8514871 [0,0,1,0,0,0|2,0,1]=4 314 B8R0.7 CCCCSCC(=O)O Amb1138789 [0,0,1,0,0,0|2,0,1]=4 315 B8R0.7 CCCNCCC(=O)O Amb18633174 [0,0,1,0,0,0|2,0,1]=4 316 B8R0.7 CCCNCCC(=O)O Amb2372065 [0,0,1,0,0,0|2,0,1]=4 317 B8R0.7 CCCOCCC(=O)O Amb8874502 [0,0,1,0,0,0|2,0,1]=4 318 B8R0.7 CCNCCCC(=O)O Amb30585148 [0,0,1,0,0,0|2,0,1]=4 319 B8R0.7 CCNCCCC(=O)O Amb6253896 [0,0,1,0,0,0|2,0,1]=4 320 B8R0.7 CCOCCCC(=O)O Amb6257602 [0,0,1,0,0,0|2,0,1]=4 321 B8R0.7 CCSCCCC(=O)O Amb6680204 [0,0,1,0,0,0|2,0,1]=4 322 B8R0.7 CN(C)CCCCC=O Amb25276429 [0,0,1,0,0,0|3,0,0]=4 323 B8R0.7 CNCCCCC(=O)O Amb10605773 [0,0,1,0,0,0|2,0,0]=3 324 B8R0.7 CNCCCCC(=O)O Amb24340485 [0,0,1,0,0,0|2,0,0]=3 325 B8R0.7 CNCCCCC(N)=O Amb27780478 [0,0,1,0,0,0|3,0,0]=4 326 B8R0.7 CNCCOCC(=O)O Amb18630741 [0,0,1,0,0,0|3,0,0]=4 327 B8R0.7 COCCCCC(=O)O Amb9207785 [0,0,1,0,0,0|2,0,0]=3 328 B8R0.7 COCCCCC(C)=O Amb9659801 [0,0,1,0,0,0|3,0,0]=4 329 B8R0.7 COCCNCC(=O)O Amb19514667 [0,0,1,0,0,0|3,0,0]=4 330 B8R0.7 COCCNCC(=O)O Amb7766415 [0,0,1,0,0,0|3,0,0]=4 331 B8R0.7 COCCOCC(=O)O Amb2721259 [0,0,1,0,0,0|3,0,0]=4 332 B8R0.7 COCCSCC(=O)O Amb6245777 [0,0,1,0,0,0|3,0,0]=4 333 B8R0.7 COCOCCC(=O)O Amb27784860 [0,0,1,0,0,0|3,0,0]=4 334 B8R0.7 COCSCCC(=O)O Amb27263382 [0,0,1,0,0,0|3,0,0]=4 335 B8R0.7 CS(=O)CCCCC=O Amb27856287 [0,0,1,0,0,0|2,0,0]=3 336 B8R0.7 CSCCCCC(=O)O Amb17503764 [0,0,1,0,0,0|2,0,0]=3 337 B8R0.7 CSCCCCC(C)=O Amb27815140 [0,0,1,0,0,0|3,0,0]=4 338 B8R0.7 CSCCCCC(N)=O Amb27662727 [0,0,1,0,0,0|3,0,0]=4 339 B8R0.7 CSCCNCC(=O)O Amb24401934 [0,0,1,0,0,0|3,0,0]=4 340 B8R0.7 CSCCNCC(=O)O Amb28934977 [0,0,1,0,0,0|3,0,0]=4 341 B8R0.7 CSCCOCC(=O)O Amb27392229 [0,0,1,0,0,0|3,0,0]=4 342 B8R0.7 CSCCSCC(=O)O Amb27964765 [0,0,1,0,0,0|3,0,0]=4 343 B8R0.7 CSSCCCC(=O)O Amb25269470 [0,0,1,0,0,0|3,0,0]=4 344 B8R0.7 C[C@H](O)CCCCC=O Amb27793108 [0,0,1,0,0,0|1,0,1]=3 345 B8R0.7 C\C(Cl)=C\CCCC=O Amb27252215 [0,0,1,0,0,0|2,0,1]=4 346 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [0,0,1,0,0,0|1,0,1]=3 347 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [0,0,1,0,0,0|2,0,1]=4 348 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [0,0,1,0,0,0|2,0,1]=4 349 B8R0.7 N#CCCCCC(=O)O Amb17593332 [0,0,1,0,0,0|1,0,1]=3 350 B8R0.7 N#CCCCCC(N)=O Amb24108037 [0,0,1,0,0,0|2,0,1]=4 351 B8R0.7 N#CCCNCC(=O)O Amb2720474 [0,0,1,0,0,0|2,0,1]=4 352 B8R0.7 N#CCCSCC(=O)O Amb17502363 [0,0,1,0,0,0|2,0,1]=4 353 B8R0.7 N#CCSCCC(=O)O Amb6277440 [0,0,1,0,0,0|2,0,1]=4 354 B8R0.7 NC(=O)CCCCCBr Amb2685265 [0,0,1,0,0,0|2,0,1]=4 355 B8R0.7 NC(=O)CCCCCCl Amb27392074 [0,0,1,0,0,0|2,0,1]=4 356 B8R0.7 NC(=O)CCCCCF Amb27837777 [0,0,1,0,0,0|2,0,1]=4 357 B8R0.7 NC(=O)CCCCCO Amb22524369 [0,0,1,0,0,0|1,0,2]=4 358 B8R0.7 NCCCCCC(=O)Cl Amb17142873 [0,0,1,0,0,0|2,0,1]=4 359 B8R0.7 NCCCCCC(=O)O Amb17607928 [0,0,1,0,0,0|1,0,1]=3 360 B8R0.7 NCCCCCC(=O)O Amb1905625 [0,0,1,0,0,0|1,0,1]=3 361 B8R0.7 NCCCCCC(=O)[O-] Amb28990947 [0,0,1,0,0,0|1,0,2]=4 362 B8R0.7 NCCCOCC(=O)O Amb18111435 [0,0,1,0,0,0|2,0,1]=4 363 B8R0.7 NCCCOCC(=O)O Amb31217489 [0,0,1,0,0,0|2,0,1]=4 364 B8R0.7 NCCCSCC(=O)O Amb17500676 [0,0,1,0,0,0|2,0,1]=4 365 B8R0.7 NCCNCCC(=O)O Amb20668304 [0,0,1,0,0,0|2,0,1]=4 366 B8R0.7 NCCNCCC(=O)O Amb22058790 [0,0,1,0,0,0|2,0,1]=4 367 B8R0.7 NCCOCCC(=O)O Amb18630461 [0,0,1,0,0,0|2,0,1]=4 368 B8R0.7 NCCOCCC(=O)O Amb33330744 [0,0,1,0,0,0|2,0,1]=4 369 B8R0.7 NCCSCCC(=O)O Amb21988844 [0,0,1,0,0,0|2,0,1]=4 370 B8R0.7 NOCCCCC(=O)O Amb27596055 [0,0,1,0,0,0|2,0,0]=3 371 B8R0.7 O=C(Cl)CCCCCBr Amb2685267 [0,0,1,0,0,0|2,0,1]=4 372 B8R0.7 O=C(Cl)CCCCCCl Amb10844967 [0,0,1,0,0,0|2,0,1]=4 373 B8R0.7 O=C(Cl)CCCCCO Amb28056558 [0,0,1,0,0,0|1,0,2]=4 374 B8R0.7 O=C(F)CCCCCCl Amb27173031 [0,0,1,0,0,0|2,0,1]=4 375 B8R0.7 O=C(O)CCCCCBr Amb2081955 [0,0,1,0,0,0|1,0,1]=3 376 B8R0.7 O=C(O)CCCCCCl Amb18796646 [0,0,1,0,0,0|1,0,1]=3 377 B8R0.7 O=C(O)CCCCCF Amb26063796 [0,0,1,0,0,0|1,0,1]=3 378 B8R0.7 O=C(O)CCCCCI Amb22736492 [0,0,1,0,0,0|1,0,1]=3 379 B8R0.7 O=C(O)CCCCCO Amb8515991 [0,0,1,0,0,0|0,0,2]=3 380 B8R0.7 O=C(O)CCCCNO Amb28410171 [0,0,1,0,0,0|1,0,1]=3 381 B8R0.7 O=C(O)CCCN=C=S Amb26330552 [0,0,1,0,0,0|1,1,1]=4 382 B8R0.7 O=C(O)CCNCCF Amb27954272 [0,0,1,0,0,0|2,0,1]=4 383 B8R0.7 O=C(O)CCNCCO Amb1110010 [0,0,1,0,0,0|1,0,2]=4 384 B8R0.7 O=C(O)CCNCCS Amb28285239 [0,0,1,0,0,0|1,1,1]=4 385 B8R0.7 O=C(O)CCOCCBr Amb24057757 [0,0,1,0,0,0|2,0,1]=4 386 B8R0.7 O=C(O)CCOCCF Amb27807548 [0,0,1,0,0,0|2,0,1]=4 387 B8R0.7 O=C(O)CCOCCO Amb6680916 [0,0,1,0,0,0|1,0,2]=4 388 B8R0.7 O=C(O)CCOCCS Amb27226892 [0,0,1,0,0,0|1,1,1]=4 389 B8R0.7 O=C(O)CCSCCBr Amb27468126 [0,0,1,0,0,0|2,0,1]=4 390 B8R0.7 O=C(O)CCSCCF Amb27172860 [0,0,1,0,0,0|2,0,1]=4 391 B8R0.7 O=C(O)CCSCCS Amb18126456 [0,0,1,0,0,0|1,1,1]=4 392 B8R0.7 O=C(O)CNCCCCl Amb28055692 [0,0,1,0,0,0|2,0,1]=4 393 B8R0.7 O=C(O)CNCCCF Amb27649256 [0,0,1,0,0,0|2,0,1]=4 394 B8R0.7 O=C(O)CNCCCO Amb9325805 [0,0,1,0,0,0|1,0,2]=4 395 B8R0.7 O=C(O)COCCCO Amb28288633 [0,0,1,0,0,0|1,0,2]=4 396 B8R0.7 O=C(O)COC\C=C\Cl Amb27450817 [0,0,1,0,0,0|2,0,1]=4 397 B8R0.7 O=C([O-])CCCCCO Amb22491268 [0,0,1,0,0,0|0,0,3]=4 398 B8R0.7 O=C=NCCCC(=O)O Amb26014000 [0,0,1,0,0,0|1,0,1]=3 399 B8R0.7 O=CCCCC=C(Cl)Cl Amb27870361 [0,0,1,0,0,0|2,0,1]=4 400 B8R0.7 O=CCCCCC(=O)O Amb18642763 [0,0,1,0,0,0|0,0,0]=1 401 B8R0.7 O=CCCCCC(O)O Amb28285175 [0,0,1,0,0,0|0,0,2]=3 402 B8R0.7 O=CCCCO[N+](=O)[O-] Amb27864566 [0,0,1,0,0,0|2,0,1]=4 403 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [0,0,1,0,0,0|0,0,2]=3 404 B8R0.7 O=CNCCCC(=O)O Amb18305404 [0,0,1,0,0,0|1,0,0]=2 405 B8R0.7 O=CNC\C=C\C(=O)O Amb28045342 [0,0,1,0,0,0|1,0,2]=4 406 B8R0.7 O=COCCCC(=O)O Amb27217713 [0,0,1,0,0,0|1,0,0]=2 407 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [0,0,1,0,0,0|0,0,2]=3 408 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [0,0,1,0,0,0|3,0,0]=4 409 B8R0.19 CCC(=O)CC(=O)CC Amb2688649 [0,0,1,0,0,0|1,0,0]=2 410 B8R0.19 CCC(=O)CC(=O)OC Amb2691582 [0,0,1,0,0,0|2,0,0]=3 411 B8R0.19 CCC(=O)CC(C)CC Amb9702836 [0,0,1,0,0,0|2,0,1]=4 412 B8R0.19 CCC(=O)CC(O)CC Amb28144079 [0,0,1,0,0,0|1,0,2]=4 413 B8R0.19 CCC(=O)CN(C)CC Amb27837485 [0,0,1,0,0,0|3,0,0]=4 414 B8R0.19 CCC(=O)NC(=O)CC Amb17940302 [0,0,1,0,0,0|1,0,0]=2 415 B8R0.19 CCC(=O)NC(=O)CN Amb27626956 [0,0,1,0,0,0|2,0,0]=3 416 B8R0.19 CCC(=O)NC(=O)NC Amb27877686 [0,0,1,0,0,0|2,0,0]=3 417 B8R0.19 CCC(=O)NC(=O)OC Amb27845509 [0,0,1,0,0,0|2,0,0]=3 418 B8R0.19 CCC(=O)NC(=S)CC Amb27206614 [0,0,1,0,0,0|1,1,0]=3 419 B8R0.19 CCC(=O)NC(=S)NC Amb27468706 [0,0,1,0,0,0|2,1,0]=4 420 B8R0.19 CCC(=O)N\C(C)=N\C Amb27635245 [0,0,1,0,0,0|3,0,0]=4 421 B8R0.19 CCC(=O)OC(=O)CC Amb8513299 [0,0,1,0,0,0|0,0,0]=1 422 B8R0.19 CCC(=O)OC(Cl)CC Amb27392331 [0,0,1,0,0,0|1,0,1]=3 423 B8R0.19 CCC(=O)OC(O)CC Amb28206135 [0,0,1,0,0,0|0,0,2]=3 424 B8R0.19 CCC(=O)\C=C(/C)CC Amb27838819 [0,0,1,0,0,0|2,0,0]=3 425 B8R0.19 CCC(=O)\C=C(/Cl)CC Amb27948647 [0,0,1,0,0,0|2,0,0]=3 426 B8R0.19 CCC(=O)\C=C(/N)CO Amb28049853 [0,0,1,0,0,0|3,0,0]=4 427 B8R0.19 CCC(=O)\C=C(/S)CC Amb27844136 [0,0,1,0,0,0|1,1,0]=3 428 B8R0.19 CCC(=O)\C=C(\C)CC Amb28397482 [0,0,1,0,0,0|2,0,0]=3 429 B8R0.19 CCC(=O)\C=C(\C)CCl Amb27221057 [0,0,1,0,0,0|3,0,0]=4 430 B8R0.19 CCC(=O)\C=C(\C)NC Amb27493053 [0,0,1,0,0,0|3,0,0]=4 431 B8R0.19 CCC(=O)\C=C(\Cl)CC Amb27838794 [0,0,1,0,0,0|2,0,0]=3 432 B8R0.19 CCC(=O)\C=C(\F)CC Amb28367147 [0,0,1,0,0,0|2,0,0]=3 433 B8R0.19 CCC(=O)\C=C(\N)CO Amb27422020 [0,0,1,0,0,0|3,0,0]=4 434 B8R0.19 CCC(=S)\N=C(/N)CC Amb27788322 [0,0,1,0,0,0|2,1,0]=4 435 B8R0.19 CCC(C)OC(=O)CBr Amb28126234 [0,0,1,0,0,0|2,0,1]=4 436 B8R0.19 CCC(C)OC(=O)CCl Amb26360779 [0,0,1,0,0,0|2,0,1]=4 437 B8R0.19 CCC(C)OC(=O)CS Amb26841875 [0,0,1,0,0,0|2,0,1]=4 438 B8R0.19 CCC(O)OC(=O)CS Amb27768823 [0,0,1,0,0,0|1,0,2]=4 439 B8R0.19 CC\C(C)=C\C(=O)OC Amb25334129 [0,0,1,0,0,0|3,0,0]=4 440 B8R0.19 CC\C(C)=N\S(=O)CC Amb35681747 [0,0,1,0,0,0|3,0,0]=4 441 B8R0.19 CC\C(N)=C\C(=O)OC Amb26515846 [0,0,1,0,0,0|3,0,0]=4 442 B8R0.19 CNC(=O)CC(=O)OC Amb17399823 [0,0,1,0,0,0|3,0,0]=4 443 B8R0.19 CNC(=O)NC(=O)CBr Amb28366908 [0,0,1,0,0,0|3,0,0]=4 444 B8R0.19 CNC(=O)NC(=O)CCl Amb2370485 [0,0,1,0,0,0|3,0,0]=4 445 B8R0.19 CNC(=O)NC(=O)CF Amb28289514 [0,0,1,0,0,0|3,0,0]=4 446 B8R0.19 COC(=O)CC(=O)CCl Amb3940254 [0,0,1,0,0,0|3,0,0]=4 447 B8R0.19 COC(=O)CC(=O)CF Amb27409309 [0,0,1,0,0,0|3,0,0]=4 448 B8R0.19 COC(=O)CC(=O)OC Amb6196416 [0,0,1,0,0,0|3,0,0]=4 449 B8R0.19 COC(=O)NC(=O)CBr Amb27749889 [0,0,1,0,0,0|3,0,0]=4 450 B8R0.19 COC(=O)NC(=O)CCl Amb1152897 [0,0,1,0,0,0|3,0,0]=4 451 B8R0.19 COC(=O)NC(=O)CI Amb20668254 [0,0,1,0,0,0|3,0,0]=4 452 B8R0.19 COC(=O)NC(=O)CN Amb28280461 [0,0,1,0,0,0|3,0,0]=4 453 B8R0.19 COC(=O)OC(=O)OC Amb20240544 [0,0,1,0,0,0|2,0,0]=3 454 B8R0.19 O=C(CCl)CC(=O)CCl Amb25738744 [0,0,1,0,0,0|3,0,0]=4 455 B8R0.19 O=C(CCl)OC(=O)CCl Amb8386065 [0,0,1,0,0,0|2,0,0]=3 456 B8R0.19 O=C(CF)OC(=O)CF Amb25324724 [0,0,1,0,0,0|2,0,0]=3 457 B8R0.19 O=C(CO)OC(=O)CO Amb27835164 [0,0,1,0,0,0|2,0,0]=3 458 B10R2.33 O=C1CNC2CC(C2)O1 Amb32410254 [0,0,0,1,0,0|2,0,1]=4 459 B10R2.42 C[C@H]1NC(=O)[C@H]2CC[C@H]21 Amb28193502 [0,0,0,1,0,0|2,0,1]=4 460 B10R2.42 N=C1NC(=O)[C@@H]2CC[C@H]12 Amb28139321 [0,0,0,1,0,0|2,0,0]=3 461 B10R2.42 O=C1NC(=O)C2C=CC12 Amb27861040 [0,0,0,1,0,0|1,0,2]=4 462 B10R2.42 O=C1NC(=O)C2CCC12 Amb25980910 [0,0,0,1,0,0|1,0,0]=2 463 B10R2.42 O=C1NC(=O)[C@@H]2CC[C@H]12 Amb10975596 [0,0,0,1,0,0|1,0,0]=2 464 B10R2.42 O=C1OC(=O)C2=C1CC2 Amb27439374 [0,0,0,1,0,0|0,0,2]=3 465 B10R2.42 O=C1OC(=O)C2C=CC12 Amb27154251 [0,0,0,1,0,0|0,0,2]=3 466 B10R2.42 O=C1OC(=O)C2CCC12 Amb33544353 [0,0,0,1,0,0|0,0,0]=1 467 B10R2.42 O=C1OC(=O)[C@@H]2C=C[C@H]12 Amb24058247 [0,0,0,1,0,0|0,0,2]=3 468 B10R2.42 O=C1OC(=O)[C@@H]2CC[C@H]12 Amb23400905 [0,0,0,1,0,0|0,0,0]=1 469 B10R2.61 O=C1CC2CCCC1N2 Amb26475846 [0,0,0,1,0,0|2,0,1]=4 470 B10R2.61 O=C1CC2CCCC1N2 Amb34156512 [0,0,0,1,0,0|2,0,1]=4 471 B10R2.61 O=C1CN2CCCC1C2 Amb25081940 [0,0,0,1,0,0|3,0,0]=4 472 B10R2.61 O=C1CN2CCC[C@@H]1C2 Amb28255409 [0,0,0,1,0,0|3,0,0]=4 473 B10R2.61 O=C1CN2CCC[C@H]1C2 Amb27268018 [0,0,0,1,0,0|3,0,0]=4 474 B10R2.61 O=C1C[C@@H]2CCC[C@H]1C2 Amb27861193 [0,0,0,1,0,0|2,0,1]=4 475 B10R2.61 O=C1NC2CCCC1C2 Amb23596874 [0,0,0,1,0,0|2,0,1]=4 476 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 Amb23385322 [0,0,0,1,0,0|2,0,1]=4 477 B10R2.61 O=C1OC2CCCC1C2 Amb25888764 [0,0,0,1,0,0|1,0,1]=3 478 B10R2.61 O=C1OC2CCNC1C2 Amb27792068 [0,0,0,1,0,0|2,0,1]=4 479 B10R2.61 O=C1O[C@H]2CCC[C@@H]1C2 Amb26948688 [0,0,0,1,0,0|1,0,1]=3 480 B10R2.61 O=C1O[C@H]2CCC[C@@H]1O2 Amb27434428 [0,0,0,1,0,0|0,0,2]=3 481 B10R2.66 C=C1C2CCCC(=O)C12 Amb27878087 [0,0,0,1,0,0|2,0,0]=3 482 B10R2.66 C=C1[C@H]2CCCC(=O)[C@@H]12 Amb27428016 [0,0,0,1,0,0|2,0,0]=3 483 B10R2.69 O=C1CCCC2CC2C1 Amb27838678 [0,0,0,1,0,0|2,0,1]=4 484 B10R2.69 O=C1CCCC2CC2O1 Amb28368119 [0,0,0,1,0,0|1,0,1]=3 485 B10R2.69 O=C1CCC[C@@H]2C[C@@H]2N1 Amb27195803 [0,0,0,1,0,0|2,0,1]=4 486 B10R2.71 O=C1CC2CCC(C1)C2 Amb17593285 [0,0,0,1,0,0|2,0,1]=4 487 B10R2.71 O=C1CC2CCC(C1)N2 Amb17593299 [0,0,0,1,0,0|2,0,1]=4 488 B10R2.71 O=C1CC2CCC(C1)N2 Amb2697224 [0,0,0,1,0,0|2,0,1]=4 489 B10R2.71 O=C1CC2CCC(C1)O2 Amb23439074 [0,0,0,1,0,0|1,0,2]=4 490 B10R2.71 O=C1CC2CCC(C1)S2 Amb25860172 [0,0,0,1,0,0|1,1,1]=4 491 B10R2.71 O=C1CC2CCN(C1)C2 Amb28341284 [0,0,0,1,0,0|3,0,0]=4 492 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 Amb16231390 [0,0,0,1,0,0|2,0,1]=4 493 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 Amb33523987 [0,0,0,1,0,0|2,0,1]=4 494 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)O2 Amb27644515 [0,0,0,1,0,0|1,0,2]=4 495 B10R2.71 O=C1C[C@H]2CCN(C1)C2 Amb28322774 [0,0,0,1,0,0|3,0,0]=4 496 B10R2.71 O=C1C[C@H]2CC[C@@H](C1)C2 Amb26864172 [0,0,0,1,0,0|2,0,1]=4 497 B10R2.71 [C@H]12CC[C@H](CC(=O)C1)N2 Amb17672004 [0,0,0,1,0,0|2,0,1]=4 498 B10R2.117 CC12CCCC1C(=O)N2 Amb28325974 [0,0,0,1,0,0|2,0,1]=4 499 B10R2.117 C[C@@]12CCCC1C(=O)C2 Amb28139960 [0,0,0,1,0,0|2,0,1]=4 500 B10R2.117 C[C@@]12CCC[C@@H]1C(=O)C2 Amb27644020 [0,0,0,1,0,0|2,0,1]=4 501 B10R2.117 C[C@]12CCC[C@H]1C(=O)N2 Amb25956217 [0,0,0,1,0,0|2,0,1]=4 502 B10R2.174 C=C1CC[C@@H]2CC(=O)[C@H]12 Amb28285942 [0,0,0,1,0,0|2,0,0]=3 503 B10R2.174 CC1=CCC2CC(=O)C12 Amb28285867 [0,0,0,1,0,0|2,0,1]=4 504 B10R2.174 CC1=CC[C@H]2CC(=O)[C@@H]12 Amb28201578 [0,0,0,1,0,0|2,0,1]=4 505 B10R2.174 CC1=NCC2CC(=O)C12 Amb27164603 [0,0,0,1,0,0|3,0,0]=4 506 B10R2.174 CC1CC2CCC(=O)C12 Amb27838629 [0,0,0,1,0,0|2,0,1]=4 507 B10R2.174 C[C@@H]1CC[C@@H]2CC(=O)[C@H]12 Amb27212452 [0,0,0,1,0,0|2,0,1]=4 508 B10R2.177 CC12CC(=O)CCC1C2 Amb24724048 [0,0,0,1,0,0|2,0,1]=4 509 B10R2.244 O=C1CCCCC2OC12 Amb28043681 [0,0,0,1,0,0|1,0,2]=4 510 B10R2.244 O=C1CCCC[C@H]2C[C@@H]12 Amb27640556 [0,0,0,1,0,0|2,0,1]=4 511 B10R2.343 CC1CC(=O)[C@@H]2C[C@@H]2C1 Amb28141601 [0,0,0,1,0,0|2,0,1]=4 512 B10R2.343 C[C@H]1CC(=O)[C@@H]2C[C@@H]2C1 Amb27968496 [0,0,0,1,0,0|2,0,1]=4 513 B10R2.343 O=C1NC2CC2C(=O)O1 Amb18832705 [0,0,0,1,0,0|1,0,0]=2 514 B10R2.343 O=C1N[C@@H]2C[C@@H]2C(=O)O1 Amb27447279 [0,0,0,1,0,0|1,0,0]=2 515 B8R1.4 C=C1CCCC(=C)C1 Amb17940138 [0,0,0,0,1,0|3,0,0]=4 516 B8R1.4 C=C1CCCC(=O)C1 Amb28132034 [0,0,0,0,1,0|2,0,0]=3 517 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [0,0,0,0,1,0|2,0,0]=3 518 B8R1.4 CC1=CC(=O)CSC1 Amb28316129 [0,0,0,0,1,0|3,0,0]=4 519 B8R1.4 CC1=CC(=O)NCC1 Amb27170325 [0,0,0,0,1,0|3,0,0]=4 520 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,0,0,0,1,0|2,0,1]=4 521 B8R1.4 CC1=CCCC(=O)N1 Amb27949580 [0,0,0,0,1,0|2,0,1]=4 522 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [0,0,0,0,1,0|1,0,1]=3 523 B8R1.4 CC1=CCNC(=O)O1 Amb23596886 [0,0,0,0,1,0|2,0,1]=4 524 B8R1.4 CC1=NC(=O)CCC1 Amb28239945 [0,0,0,0,1,0|2,0,0]=3 525 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [0,0,0,0,1,0|2,0,1]=4 526 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [0,0,0,0,1,0|2,0,1]=4 527 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,0,0,0,1,0|1,0,1]=3 528 B8R1.4 CC1CCOC(=O)O1 Amb33714707 [0,0,0,0,1,0|2,0,1]=4 529 B8R1.4 CN1CCCC(=O)C1 Amb10602467 [0,0,0,0,1,0|3,0,0]=4 530 B8R1.4 CN1CCCC(=O)C1 Amb22304741 [0,0,0,0,1,0|3,0,0]=4 531 B8R1.4 CN1CCCC(=O)C1 Amb31204623 [0,0,0,0,1,0|3,0,0]=4 532 B8R1.4 C[C@@H]1CCCC(=O)C1 Amb21618704 [0,0,0,0,1,0|2,0,1]=4 533 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [0,0,0,0,1,0|2,0,1]=4 534 B8R1.4 C[C@@H]1CCCC(=O)O1 Amb4166295 [0,0,0,0,1,0|1,0,1]=3 535 B8R1.4 C[C@H]1CCCC(=O)C1 Amb22799724 [0,0,0,0,1,0|2,0,1]=4 536 B8R1.4 C[C@H]1CCCC(=O)O1 Amb26865751 [0,0,0,0,1,0|1,0,1]=3 537 B8R1.4 N=C1CCSC(=O)N1 Amb28434696 [0,0,0,0,1,0|3,0,0]=4 538 B8R1.4 N=C1NC(=O)CCS1 Amb24666714 [0,0,0,0,1,0|3,0,0]=4 539 B8R1.4 NC1=CC(=O)CCC1 Amb1151335 [0,0,0,0,1,0|2,0,0]=3 540 B8R1.4 NC1=CC(=O)COC1 Amb25785409 [0,0,0,0,1,0|3,0,0]=4 541 B8R1.4 NC1=CC(=O)CSC1 Amb28066865 [0,0,0,0,1,0|3,0,0]=4 542 B8R1.4 NC1=CC(=O)NCC1 Amb22229455 [0,0,0,0,1,0|3,0,0]=4 543 B8R1.4 NC1=CC(=S)CCC1 Amb27839581 [0,0,0,0,1,0|2,1,0]=4 544 B8R1.4 NC1CCCC(=O)C1 Amb23440459 [0,0,0,0,1,0|2,0,1]=4 545 B8R1.4 NC1CCCC(=O)C1 Amb8387391 [0,0,0,0,1,0|2,0,1]=4 546 B8R1.4 O=C1C=C(Br)CCC1 Amb33542768 [0,0,0,0,1,0|2,0,0]=3 547 B8R1.4 O=C1C=C(Br)CCN1 Amb23402186 [0,0,0,0,1,0|3,0,0]=4 548 B8R1.4 O=C1C=C(Cl)CCC1 Amb2697044 [0,0,0,0,1,0|2,0,0]=3 549 B8R1.4 O=C1C=C(I)CCC1 Amb25706767 [0,0,0,0,1,0|2,0,0]=3 550 B8R1.4 O=C1C=C(O)CCC1 Amb17844413 [0,0,0,0,1,0|1,0,1]=3 551 B8R1.4 O=C1C=C(O)COC1 Amb28048998 [0,0,0,0,1,0|2,0,1]=4 552 B8R1.4 O=C1C=CCC(=O)O1 Amb453190 [0,0,0,0,1,0|0,0,2]=3 553 B8R1.4 O=C1C=CNC(=O)O1 Amb21937546 [0,0,0,0,1,0|1,0,2]=4 554 B8R1.4 O=C1C=[N+]([O-])CCC1 Amb27751417 [0,0,0,0,1,0|2,0,1]=4 555 B8R1.4 O=C1CC(=O)NCN1 Amb27949946 [0,0,0,0,1,0|3,0,0]=4 556 B8R1.4 O=C1CCCC(=O)C1 Amb932798 [0,0,0,0,1,0|1,0,0]=2 557 B8R1.4 O=C1CCCC(=O)N1 Amb8386485 [0,0,0,0,1,0|1,0,0]=2 558 B8R1.4 O=C1CCCC(=O)O1 Amb6608952 [0,0,0,0,1,0|0,0,0]=1 559 B8R1.4 O=C1CCCC(=O)S1 Amb27849467 [0,0,0,0,1,0|0,1,0]=2 560 B8R1.4 O=C1CCCC(Br)C1 Amb27850962 [0,0,0,0,1,0|2,0,1]=4 561 B8R1.4 O=C1CCCC(Cl)C1 Amb26946112 [0,0,0,0,1,0|2,0,1]=4 562 B8R1.4 O=C1CCCC(Cl)N1 Amb28423467 [0,0,0,0,1,0|2,0,1]=4 563 B8R1.4 O=C1CCCC(F)C1 Amb24578309 [0,0,0,0,1,0|2,0,1]=4 564 B8R1.4 O=C1CCCC(I)C1 Amb24436778 [0,0,0,0,1,0|2,0,1]=4 565 B8R1.4 O=C1CCCC(O)C1 Amb22754759 [0,0,0,0,1,0|1,0,2]=4 566 B8R1.4 O=C1CCCC(O)N1 Amb26394230 [0,0,0,0,1,0|1,0,2]=4 567 B8R1.4 O=C1CCC[C@@H](O)C1 Amb25320136 [0,0,0,0,1,0|1,0,2]=4 568 B8R1.4 O=C1CCC[C@H](O)C1 Amb27432456 [0,0,0,0,1,0|1,0,2]=4 569 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,0,0,0,1,0|2,0,0]=3 570 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,0,0,0,1,0|2,0,0]=3 571 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,0,0,0,1,0|1,0,0]=2 572 B8R1.4 O=C1CCNC(=O)S1 Amb27786235 [0,0,0,0,1,0|1,1,0]=3 573 B8R1.4 O=C1CCOC(=O)C1 Amb26459895 [0,0,0,0,1,0|2,0,0]=3 574 B8R1.4 O=C1CCSC(=O)N1 Amb1150323 [0,0,0,0,1,0|2,0,0]=3 575 B8R1.4 O=C1CNCC(=O)C1 Amb26464137 [0,0,0,0,1,0|2,0,0]=3 576 B8R1.4 O=C1CNCC(=O)N1 Amb18641768 [0,0,0,0,1,0|2,0,0]=3 577 B8R1.4 O=C1CNCC(=O)N1 Amb19148314 [0,0,0,0,1,0|2,0,0]=3 578 B8R1.4 O=C1CNCC(=O)S1 Amb27390859 [0,0,0,0,1,0|1,1,0]=3 579 B8R1.4 O=C1COCC(=O)C1 Amb8392404 [0,0,0,0,1,0|2,0,0]=3 580 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,0,0,0,1,0|2,0,0]=3 581 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,0,0,0,1,0|1,0,0]=2 582 B8R1.4 O=C1CS(=O)CCN1 Amb27184590 [0,0,0,0,1,0|3,0,0]=4 583 B8R1.4 O=C1CSCC(=O)C1 Amb2499999 [0,0,0,0,1,0|2,0,0]=3 584 B8R1.4 O=C1CSCC(=O)N1 Amb7173003 [0,0,0,0,1,0|2,0,0]=3 585 B8R1.4 O=C1CSCC(=O)O1 Amb2725405 [0,0,0,0,1,0|1,0,0]=2 586 B8R1.4 O=C1NC(=S)CCS1 Amb2470197 [0,0,0,0,1,0|2,1,0]=4 587 B8R1.4 O=C1NCNC(=O)N1 Amb4010672 [0,0,0,0,1,0|3,0,0]=4 588 B8R1.4 O=S1CCCS(=O)C1 Amb22363746 [0,0,0,0,1,0|3,0,0]=4 589 B8R1.5 C=C1CCCCC1=C Amb8392110 [0,0,0,0,1,0|2,0,0]=3 590 B8R1.5 C=C1CCCCC1=O Amb18561347 [0,0,0,0,1,0|1,0,0]=2 591 B8R1.5 C=C1CCCCC1C Amb25203919 [0,0,0,0,1,0|2,0,1]=4 592 B8R1.5 C=C1CCCCC1Cl Amb27858823 [0,0,0,0,1,0|2,0,1]=4 593 B8R1.5 C=C1CCCCC1O Amb28316215 [0,0,0,0,1,0|1,0,2]=4 594 B8R1.5 C=C1CCCC[C@@H]1N Amb27252272 [0,0,0,0,1,0|2,0,1]=4 595 B8R1.5 C=C1COCCC1=O Amb18063600 [0,0,0,0,1,0|2,0,0]=3 596 B8R1.5 CC1=C(Br)CNCC1 Amb25046045 [0,0,0,0,1,0|3,0,0]=4 597 B8R1.5 CC1=C(Br)CNCC1 Amb33473572 [0,0,0,0,1,0|3,0,0]=4 598 B8R1.5 CC1=C(C)CCCC1 Amb4019565 [0,0,0,0,1,0|2,0,0]=3 599 B8R1.5 CC1=C(C)CNCC1 Amb18641667 [0,0,0,0,1,0|3,0,0]=4 600 B8R1.5 CC1=C(C)CNCC1 Amb28934860 [0,0,0,0,1,0|3,0,0]=4 601 B8R1.5 CC1=C(C)NCCC1 Amb27489342 [0,0,0,0,1,0|3,0,0]=4 602 B8R1.5 CC1=CCCCC1=O Amb15693479 [0,0,0,0,1,0|1,0,1]=3 603 B8R1.5 CC1=COCCC1=O Amb28048981 [0,0,0,0,1,0|2,0,1]=4 604 B8R1.5 CC1=NCCCC1=O Amb27803670 [0,0,0,0,1,0|2,0,0]=3 605 B8R1.5 CC1=NCCOC1=O Amb27623377 [0,0,0,0,1,0|3,0,0]=4 606 B8R1.5 CC1CCCCC1=O Amb6608749 [0,0,0,0,1,0|1,0,1]=3 607 B8R1.5 CC1CCCNC1=O Amb2778949 [0,0,0,0,1,0|2,0,1]=4 608 B8R1.5 CC1CCCOC1=O Amb26933974 [0,0,0,0,1,0|2,0,1]=4 609 B8R1.5 CC1CCNCC1=O Amb28990014 [0,0,0,0,1,0|2,0,1]=4 610 B8R1.5 CC1CCNCC1=O Amb8388554 [0,0,0,0,1,0|2,0,1]=4 611 B8R1.5 CC1CCOCC1=O Amb25718285 [0,0,0,0,1,0|2,0,1]=4 612 B8R1.5 CC1CNCCC1=O Amb19888361 [0,0,0,0,1,0|2,0,1]=4 613 B8R1.5 CC1CNCCC1=O Amb8393082 [0,0,0,0,1,0|2,0,1]=4 614 B8R1.5 CC1COCCC1=O Amb21856147 [0,0,0,0,1,0|2,0,1]=4 615 B8R1.5 CC1CSCCC1=O Amb26404796 [0,0,0,0,1,0|2,0,1]=4 616 B8R1.5 CC1NCCCC1=O Amb26633057 [0,0,0,0,1,0|2,0,1]=4 617 B8R1.5 CC1NCCCC1=O Amb32695440 [0,0,0,0,1,0|2,0,1]=4 618 B8R1.5 CC1OCCCC1=O Amb28048940 [0,0,0,0,1,0|2,0,1]=4 619 B8R1.5 CC1SCCCC1=O Amb25989585 [0,0,0,0,1,0|2,0,1]=4 620 B8R1.5 CN1CCCNC1=O Amb10608416 [0,0,0,0,1,0|3,0,0]=4 621 B8R1.5 CN1CCCNC1=O Amb32665804 [0,0,0,0,1,0|3,0,0]=4 622 B8R1.5 CN1CCNCC1=O Amb1834069 [0,0,0,0,1,0|3,0,0]=4 623 B8R1.5 CN1CCNCC1=O Amb6540859 [0,0,0,0,1,0|3,0,0]=4 624 B8R1.5 CN1CCOCC1=O Amb22301593 [0,0,0,0,1,0|3,0,0]=4 625 B8R1.5 CN1CNCCC1=O Amb27409650 [0,0,0,0,1,0|3,0,0]=4 626 B8R1.5 CN1NCCCC1=O Amb18559232 [0,0,0,0,1,0|3,0,0]=4 627 B8R1.5 C[C@@H]1OCCCC1=O Amb28202118 [0,0,0,0,1,0|2,0,1]=4 628 B8R1.5 C[C@H]1CCCNC1=O Amb27648584 [0,0,0,0,1,0|2,0,1]=4 629 B8R1.5 ClC1=C(Cl)CNCC1 Amb24467867 [0,0,0,0,1,0|3,0,0]=4 630 B8R1.5 ClC1=C(Cl)CNCC1 Amb33291346 [0,0,0,0,1,0|3,0,0]=4 631 B8R1.5 NC1=NCCCC1=O Amb28399329 [0,0,0,0,1,0|2,0,0]=3 632 B8R1.5 NC1CCCCC1=O Amb17939051 [0,0,0,0,1,0|1,0,1]=3 633 B8R1.5 NC1CCCCC1=O Amb22001819 [0,0,0,0,1,0|1,0,1]=3 634 B8R1.5 NC1CCCNC1=O Amb1088746 [0,0,0,0,1,0|2,0,1]=4 635 B8R1.5 NC1CCCNC1=O Amb8428208 [0,0,0,0,1,0|2,0,1]=4 636 B8R1.5 NC1CNCCC1=O Amb27635311 [0,0,0,0,1,0|2,0,1]=4 637 B8R1.5 NC1COCCC1=O Amb18833021 [0,0,0,0,1,0|2,0,1]=4 638 B8R1.5 NC1COCCC1=O Amb32670691 [0,0,0,0,1,0|2,0,1]=4 639 B8R1.5 NC1CSCCC1=O Amb4296938 [0,0,0,0,1,0|2,0,1]=4 640 B8R1.5 NN1CCCCC1=O Amb13952152 [0,0,0,0,1,0|2,0,0]=3 641 B8R1.5 NN1CCCCC1=O Amb22275946 [0,0,0,0,1,0|2,0,0]=3 642 B8R1.5 NN1CCCNC1=O Amb25343173 [0,0,0,0,1,0|3,0,0]=4 643 B8R1.5 NN1CCCOC1=O Amb17608306 [0,0,0,0,1,0|3,0,0]=4 644 B8R1.5 NN1CCOCC1=O Amb27238452 [0,0,0,0,1,0|3,0,0]=4 645 B8R1.5 N[C@@H]1CCCNC1=O Amb19943908 [0,0,0,0,1,0|2,0,1]=4 646 B8R1.5 N[C@@H]1CCCNC1=O Amb22388613 [0,0,0,0,1,0|2,0,1]=4 647 B8R1.5 N[C@H]1CCCNC1=O Amb10603272 [0,0,0,0,1,0|2,0,1]=4 648 B8R1.5 N[C@H]1CCCNC1=O Amb8631316 [0,0,0,0,1,0|2,0,1]=4 649 B8R1.5 O=C1C=CCCC1=O Amb28049024 [0,0,0,0,1,0|0,0,2]=3 650 B8R1.5 O=C1CCCC=C1Br Amb10067493 [0,0,0,0,1,0|1,0,1]=3 651 B8R1.5 O=C1CCCC=C1F Amb28253992 [0,0,0,0,1,0|1,0,1]=3 652 B8R1.5 O=C1CCCC=C1I Amb10601698 [0,0,0,0,1,0|1,0,1]=3 653 B8R1.5 O=C1CCCC=C1O Amb2699837 [0,0,0,0,1,0|0,0,2]=3 654 B8R1.5 O=C1CCCCC1=O Amb1154131 [0,0,0,0,1,0|0,0,0]=1 655 B8R1.5 O=C1CCCCC1Br Amb8394127 [0,0,0,0,1,0|1,0,1]=3 656 B8R1.5 O=C1CCCCC1Cl Amb1154371 [0,0,0,0,1,0|1,0,1]=3 657 B8R1.5 O=C1CCCCC1F Amb10605769 [0,0,0,0,1,0|1,0,1]=3 658 B8R1.5 O=C1CCCCC1I Amb28239314 [0,0,0,0,1,0|1,0,1]=3 659 B8R1.5 O=C1CCCCC1O Amb8390042 [0,0,0,0,1,0|0,0,2]=3 660 B8R1.5 O=C1CCCCC1S Amb25839265 [0,0,0,0,1,0|0,1,1]=3 661 B8R1.5 O=C1CCCC[C@@H]1F Amb24379012 [0,0,0,0,1,0|1,0,1]=3 662 B8R1.5 O=C1CCCC[C@@H]1O Amb28316212 [0,0,0,0,1,0|0,0,2]=3 663 B8R1.5 O=C1CCCC[C@H]1Cl Amb28119800 [0,0,0,0,1,0|1,0,1]=3 664 B8R1.5 O=C1CCCNC1=O Amb2445649 [0,0,0,0,1,0|1,0,0]=2 665 B8R1.5 O=C1CCCOC1=O Amb24662237 [0,0,0,0,1,0|1,0,0]=2 666 B8R1.5 O=C1CCCSC1Cl Amb26534671 [0,0,0,0,1,0|2,0,1]=4 667 B8R1.5 O=C1CCNCC1Br Amb21520330 [0,0,0,0,1,0|2,0,1]=4 668 B8R1.5 O=C1CCNCC1F Amb13885958 [0,0,0,0,1,0|2,0,1]=4 669 B8R1.5 O=C1CCNCC1F Amb22002662 [0,0,0,0,1,0|2,0,1]=4 670 B8R1.5 O=C1CCNCC1O Amb24075970 [0,0,0,0,1,0|1,0,2]=4 671 B8R1.5 O=C1CCNCC1O Amb27230548 [0,0,0,0,1,0|1,0,2]=4 672 B8R1.5 O=C1CCNCN1O Amb24120639 [0,0,0,0,1,0|2,0,1]=4 673 B8R1.5 O=C1CCNC[C@H]1F Amb27467922 [0,0,0,0,1,0|2,0,1]=4 674 B8R1.5 O=C1CCOCC1Br Amb21864837 [0,0,0,0,1,0|2,0,1]=4 675 B8R1.5 O=C1CCOCC1Cl Amb21857938 [0,0,0,0,1,0|2,0,1]=4 676 B8R1.5 O=C1CCOCC1F Amb19958536 [0,0,0,0,1,0|2,0,1]=4 677 B8R1.5 O=C1CCOCC1O Amb26966688 [0,0,0,0,1,0|1,0,2]=4 678 B8R1.5 O=C1CCOC[C@@H]1Br Amb26936362 [0,0,0,0,1,0|2,0,1]=4 679 B8R1.5 O=C1CCOC[C@@H]1F Amb27813369 [0,0,0,0,1,0|2,0,1]=4 680 B8R1.5 O=C1CCOC[C@H]1F Amb24732439 [0,0,0,0,1,0|2,0,1]=4 681 B8R1.5 O=C1CCSC=C1Cl Amb27856607 [0,0,0,0,1,0|2,0,1]=4 682 B8R1.5 O=C1CCSCC1Br Amb22493812 [0,0,0,0,1,0|2,0,1]=4 683 B8R1.5 O=C1CCSCC1O Amb27762936 [0,0,0,0,1,0|1,0,2]=4 684 B8R1.5 O=C1CCSC[C@@H]1O Amb28316128 [0,0,0,0,1,0|1,0,2]=4 685 B8R1.5 O=C1COCCC1Br Amb24416092 [0,0,0,0,1,0|2,0,1]=4 686 B8R1.5 O=C1COCCC1F Amb28048950 [0,0,0,0,1,0|2,0,1]=4 687 B8R1.5 O=C1COCC[C@H]1F Amb27207103 [0,0,0,0,1,0|2,0,1]=4 688 B8R1.5 O=C1CON=NC1=O Amb28316169 [0,0,0,0,1,0|3,0,0]=4 689 B8R1.5 O=C1NCCC=C1Cl Amb26349713 [0,0,0,0,1,0|2,0,1]=4 690 B8R1.5 O=C1NCCCC1Br Amb33543864 [0,0,0,0,1,0|2,0,1]=4 691 B8R1.5 O=C1NCCCC1F Amb13888988 [0,0,0,0,1,0|2,0,1]=4 692 B8R1.5 O=C1NCCCC1O Amb10602315 [0,0,0,0,1,0|1,0,2]=4 693 B8R1.5 O=C1NCCC[C@@H]1O Amb22226682 [0,0,0,0,1,0|1,0,2]=4 694 B8R1.5 O=C1NCCC[C@H]1O Amb22225342 [0,0,0,0,1,0|1,0,2]=4 695 B8R1.5 O=C1NCCNC1=O Amb4005151 [0,0,0,0,1,0|2,0,0]=3 696 B8R1.5 O=C1NCCOC1=O Amb24120265 [0,0,0,0,1,0|2,0,0]=3 697 B8R1.5 O=C1OCCC=C1Br Amb27838412 [0,0,0,0,1,0|2,0,1]=4 698 B8R1.5 O=C1OCCCC1Br Amb22289164 [0,0,0,0,1,0|2,0,1]=4 699 B8R1.5 O=C1OCCCC1Cl Amb28195106 [0,0,0,0,1,0|2,0,1]=4 700 B8R1.5 O=C1OCCCC1O Amb19959000 [0,0,0,0,1,0|1,0,2]=4 701 B8R1.5 O=C1OCCOC1=O Amb4010211 [0,0,0,0,1,0|2,0,0]=3 702 B8R1.5 O=S1CCCCC1Cl Amb27669604 [0,0,0,0,1,0|2,0,1]=4 703 B8R1.5 O=S1CCCC[C@H]1Cl Amb28343131 [0,0,0,0,1,0|2,0,1]=4 704 B10R1.71 C=C1CCCCC(=O)CC1 Amb27255772 [0,0,0,0,0,1|2,0,0]=3 705 B10R1.71 CC1CCCCC(=O)CC1 Amb27409518 [0,0,0,0,0,1|2,0,1]=4 706 B10R1.71 CN1C=CC(=O)CCCC1 Amb28049908 [0,0,0,0,0,1|3,0,0]=4 707 B10R1.71 C[C@@H]1CCCCC(=O)CC1 Amb28321916 [0,0,0,0,0,1|2,0,1]=4 708 B10R1.71 O=C1C=CC(O)CCCC1 Amb27262895 [0,0,0,0,0,1|1,0,2]=4 709 B10R1.71 O=C1C=C[C@H](O)CCCC1 Amb27432484 [0,0,0,0,0,1|1,0,2]=4 710 B10R1.71 O=C1CCCCC(=O)CC1 Amb4035103 [0,0,0,0,0,1|1,0,0]=2 711 B10R1.77 CC1=CC(=O)CCCC=C1 Amb26925130 [0,0,0,0,0,1|2,0,1]=4 712 B10R1.77 O=C1CCCCCC(=O)C1 Amb22497156 [0,0,0,0,0,1|1,0,0]=2 713 B10R1.77 O=C1CCCCCC(=O)O1 Amb26512145 [0,0,0,0,0,1|0,0,0]=1 714 B10R1.77 O=C1CCNCCC(=O)N1 Amb27760001 [0,0,0,0,0,1|1,0,0]=2 715 B10R1.77 O=C1CCOCCC(Cl)C1 Amb28118879 [0,0,0,0,0,1|2,0,1]=4 716 B7R0.1 C=CCCCCC=O Amb9785164 [1,0,1,0,0,0|1,0,0]=3 717 B7R0.1 C=CCCCCCO Amb4017321 [1,0,1,0,0,0|1,0,1]=4 718 B7R0.1 C=CCOCCC=O Amb26516382 [1,0,1,0,0,0|2,0,0]=4 719 B7R0.1 C=C\C=C\CCCC Amb22729011 [1,0,1,0,0,0|2,0,0]=4 720 B7R0.1 CC=C=CCCCC Amb28284500 [1,0,1,0,0,0|2,0,0]=4 721 B7R0.1 CCCCC#CC=O Amb17593134 [1,0,1,0,0,0|1,0,1]=4 722 B7R0.1 CCCCCCC=O Amb3939948 [1,0,1,0,0,0|1,0,1]=4 723 B7R0.1 CCCCCON=O Amb17939401 [1,0,1,0,0,0|1,0,1]=4 724 B7R0.1 CCCCOCC=O Amb26515709 [1,0,1,0,0,0|2,0,0]=4 725 B7R0.1 CCCCSCC=O Amb28189740 [1,0,1,0,0,0|2,0,0]=4 726 B7R0.1 CCCC\C=C\C=O Amb2720528 [1,0,1,0,0,0|1,0,0]=3 727 B7R0.1 CCC\C=C\CC=O Amb32954538 [1,0,1,0,0,0|1,0,1]=4 728 B7R0.1 CCSC\C=C\C=O Amb33323727 [1,0,1,0,0,0|2,0,0]=4 729 B7R0.1 COCCCCC=O Amb27410175 [1,0,1,0,0,0|2,0,0]=4 730 B7R0.1 COCC\C=C\C=O Amb33377482 [1,0,1,0,0,0|2,0,0]=4 731 B7R0.1 CSCCCCC=O Amb25760866 [1,0,1,0,0,0|2,0,0]=4 732 B7R0.1 CSCC\C=C\C=O Amb32953448 [1,0,1,0,0,0|2,0,0]=4 733 B7R0.1 N#CCCCCC=O Amb17593149 [1,0,1,0,0,0|1,0,1]=4 734 B7R0.1 O=CCCCCC=O Amb17593185 [1,0,1,0,0,0|0,0,0]=2 735 B7R0.1 O=CCCCCCBr Amb18127461 [1,0,1,0,0,0|1,0,1]=4 736 B7R0.1 O=CCCCCCCl Amb16185781 [1,0,1,0,0,0|1,0,1]=4 737 B7R0.1 O=CCCCCCF Amb24533888 [1,0,1,0,0,0|1,0,1]=4 738 B7R0.1 O=CCCCCCO Amb18641885 [1,0,1,0,0,0|0,0,1]=3 739 B7R0.1 O=CCCOCCO Amb18641946 [1,0,1,0,0,0|1,0,1]=4 740 B7R0.1 O=CCSCCCO Amb27871143 [1,0,1,0,0,0|1,0,1]=4 741 B7R0.1 O=CCSSCC=O Amb27169089 [1,0,1,0,0,0|2,0,0]=4 742 B7R0.1 O=CC\C=C\CC=O Amb26402388 [1,0,1,0,0,0|0,0,2]=4 743 B7R0.1 O=CNCCCCO Amb28187191 [1,0,1,0,0,0|1,0,1]=4 744 B7R0.1 O=CNCCNC=O Amb1043861 [1,0,1,0,0,0|2,0,0]=4 745 B7R0.1 O=COCCOC=O Amb2721136 [1,0,1,0,0,0|2,0,0]=4 746 B7R0.1 O=C\C=C\CCC=O Amb18124241 [1,0,1,0,0,0|0,0,2]=4 747 B7R0.3 C#CC(=O)CCCC Amb28128200 [1,0,1,0,0,0|1,0,1]=4 748 B7R0.3 C=C(C=O)CCCC Amb4025817 [1,0,1,0,0,0|1,0,0]=3 749 B7R0.3 C=C(C=O)CCCO Amb28128165 [1,0,1,0,0,0|2,0,0]=4 750 B7R0.3 C=C(C=O)CCOC Amb27948778 [1,0,1,0,0,0|2,0,0]=4 751 B7R0.3 C=CC(=O)CCCC Amb25062494 [1,0,1,0,0,0|1,0,0]=3 752 B7R0.3 C=CC(=O)CCCCl Amb24568327 [1,0,1,0,0,0|2,0,0]=4 753 B7R0.3 C=CC(=O)CCOC Amb24744935 [1,0,1,0,0,0|2,0,0]=4 754 B7R0.3 C=CC(=O)CCSC Amb25334636 [1,0,1,0,0,0|2,0,0]=4 755 B7R0.3 C=CC(=O)COCC Amb27248148 [1,0,1,0,0,0|2,0,0]=4 756 B7R0.3 C=CC(=O)CSCC Amb25865187 [1,0,1,0,0,0|2,0,0]=4 757 B7R0.3 C=CC(=O)NCCC Amb9480391 [1,0,1,0,0,0|2,0,0]=4 758 B7R0.3 C=CC(=O)OCCC Amb22045218 [1,0,1,0,0,0|2,0,0]=4 759 B7R0.3 CCC(=O)OCCBr Amb27424669 [1,0,1,0,0,0|1,0,1]=4 760 B7R0.3 CCC(=O)OCCF Amb27981291 [1,0,1,0,0,0|1,0,1]=4 761 B7R0.3 CCC(=O)OCCO Amb27217859 [1,0,1,0,0,0|1,0,1]=4 762 B7R0.3 CCCCC(=N)OC Amb17617956 [1,0,1,0,0,0|1,0,1]=4 763 B7R0.3 CCCCC(=N)OC Amb25353357 [1,0,1,0,0,0|1,0,1]=4 764 B7R0.3 CCCCC(=O)C#N Amb22729179 [1,0,1,0,0,0|1,0,1]=4 765 B7R0.3 CCCCC(=O)CBr Amb24563421 [1,0,1,0,0,0|1,0,1]=4 766 B7R0.3 CCCCC(=O)CC Amb4605999 [1,0,1,0,0,0|1,0,1]=4 767 B7R0.3 CCCCC(=O)CCl Amb17593420 [1,0,1,0,0,0|1,0,1]=4 768 B7R0.3 CCCCC(=O)CN Amb24473062 [1,0,1,0,0,0|1,0,1]=4 769 B7R0.3 CCCCC(=O)CO Amb26073501 [1,0,1,0,0,0|0,0,2]=4 770 B7R0.3 CCCCC(=O)NC Amb5797766 [1,0,1,0,0,0|1,0,1]=4 771 B7R0.3 CCCCC(=O)NN Amb534136 [1,0,1,0,0,0|2,0,0]=4 772 B7R0.3 CCCCC(=O)NO Amb6269796 [1,0,1,0,0,0|1,0,1]=4 773 B7R0.3 CCCCC(Br)C=O Amb17594581 [1,0,1,0,0,0|1,0,1]=4 774 B7R0.3 CCCCC(C)C=O Amb17593191 [1,0,1,0,0,0|1,0,1]=4 775 B7R0.3 CCCCC(F)C=O Amb27838938 [1,0,1,0,0,0|1,0,1]=4 776 B7R0.3 CCCCC(N)C=O Amb28422291 [1,0,1,0,0,0|1,0,1]=4 777 B7R0.3 CCCCN(C)C=O Amb26967032 [1,0,1,0,0,0|2,0,0]=4 778 B7R0.3 CCCC[C@H](C)C=O Amb26587628 [1,0,1,0,0,0|1,0,1]=4 779 B7R0.3 CCCC\C(Br)=C\Cl Amb27484205 [1,0,1,0,0,0|2,0,0]=4 780 B7R0.3 CCCNC(=O)CC Amb5797516 [1,0,1,0,0,0|1,0,1]=4 781 B7R0.3 CCCOC(=O)C=O Amb18641875 [1,0,1,0,0,0|1,0,0]=3 782 B7R0.3 CCCOC(=O)CCl Amb9787444 [1,0,1,0,0,0|1,0,1]=4 783 B7R0.3 CCCOC(=O)CN Amb9826861 [1,0,1,0,0,0|1,0,1]=4 784 B7R0.3 CCCOC(=O)CO Amb25964379 [1,0,1,0,0,0|1,0,1]=4 785 B7R0.3 CCCOC(=O)OC Amb27153532 [1,0,1,0,0,0|1,0,1]=4 786 B7R0.3 CCCSC(=O)CC Amb25882938 [1,0,1,0,0,0|0,1,1]=4 787 B7R0.3 CCC\C=C(/Cl)C=O Amb27201672 [1,0,1,0,0,0|1,0,1]=4 788 B7R0.3 CCNCC(=O)OC Amb19514718 [1,0,1,0,0,0|1,0,1]=4 789 B7R0.3 CCNCC(=O)OC Amb6687125 [1,0,1,0,0,0|1,0,1]=4 790 B7R0.3 CCOCC(=O)CC Amb27406475 [1,0,1,0,0,0|2,0,0]=4 791 B7R0.3 CCOCC(=O)OC Amb7753022 [1,0,1,0,0,0|1,0,1]=4 792 B7R0.3 CCSCC(=O)OC Amb7753193 [1,0,1,0,0,0|1,0,1]=4 793 B7R0.3 CC\C=C\C(=O)CBr Amb25251595 [1,0,1,0,0,0|2,0,0]=4 794 B7R0.3 CC\C=C\C(=O)CC Amb25283354 [1,0,1,0,0,0|1,0,0]=3 795 B7R0.3 CC\C=C\C(=O)CCl Amb33057661 [1,0,1,0,0,0|2,0,0]=4 796 B7R0.3 CC\C=C\C(=O)CN Amb33268678 [1,0,1,0,0,0|2,0,0]=4 797 B7R0.3 CC\C=C\C(=O)OC Amb2689583 [1,0,1,0,0,0|2,0,0]=4 798 B7R0.3 CC\C=N\S(=O)CC Amb35726547 [1,0,1,0,0,0|2,0,0]=4 799 B7R0.3 CNCCC(=O)OC Amb22168213 [1,0,1,0,0,0|1,0,1]=4 800 B7R0.3 CNCCC(=O)OC Amb7969878 [1,0,1,0,0,0|1,0,1]=4 801 B7R0.3 COC(=O)CCCBr Amb8516943 [1,0,1,0,0,0|1,0,1]=4 802 B7R0.3 COC(=O)CCCCl Amb3940271 [1,0,1,0,0,0|1,0,1]=4 803 B7R0.3 COC(=O)CCCI Amb3941711 [1,0,1,0,0,0|1,0,1]=4 804 B7R0.3 COC(=O)CCCN Amb402626 [1,0,1,0,0,0|1,0,1]=4 805 B7R0.3 COC(=O)CCCS Amb19373761 [1,0,1,0,0,0|1,0,1]=4 806 B7R0.3 COC(=O)CCC[NH3+] Amb2778689 [1,0,1,0,0,0|1,0,1]=4 807 B7R0.3 COC(=O)CCSC Amb8393179 [1,0,1,0,0,0|1,0,1]=4 808 B7R0.3 COCCC(=O)OC Amb6296150 [1,0,1,0,0,0|1,0,1]=4 809 B7R0.3 C\C=C(/C)CCCC Amb22229367 [1,0,1,0,0,0|2,0,0]=4 810 B7R0.3 C\C=C\OC(=O)CCl Amb8387724 [1,0,1,0,0,0|1,0,1]=4 811 B7R0.3 N#CCCC(=O)C=O Amb27792293 [1,0,1,0,0,0|1,0,1]=4 812 B7R0.3 O=CC(=O)CCCO Amb27751348 [1,0,1,0,0,0|1,0,0]=3 813 B7R0.7 C=COC(=O)CCCl Amb28347432 [1,0,1,0,0,0|1,0,1]=4 814 B7R0.7 C=COC(=O)CCI Amb17934195 [1,0,1,0,0,0|1,0,1]=4 815 B7R0.7 CC#CC(=O)CCC Amb17593135 [1,0,1,0,0,0|1,0,1]=4 816 B7R0.7 CCCC(=N)OCC Amb20672875 [1,0,1,0,0,0|1,0,1]=4 817 B7R0.7 CCCC(=N)OCC Amb25070806 [1,0,1,0,0,0|1,0,1]=4 818 B7R0.7 CCCC(=O)CC=N Amb28049020 [1,0,1,0,0,0|2,0,0]=4 819 B7R0.7 CCCC(=O)CCC Amb6608653 [1,0,1,0,0,0|1,0,1]=4 820 B7R0.7 CCCC(=O)CNC Amb27251893 [1,0,1,0,0,0|2,0,0]=4 821 B7R0.7 CCCC(=O)N=C=O Amb17231812 [1,0,1,0,0,0|1,0,1]=4 822 B7R0.7 CCCC(=O)OCBr Amb27659135 [1,0,1,0,0,0|1,0,1]=4 823 B7R0.7 CCCC(=O)OCC Amb3940136 [1,0,1,0,0,0|0,0,1]=3 824 B7R0.7 CCCC(=O)OCCl Amb8384806 [1,0,1,0,0,0|1,0,1]=4 825 B7R0.7 CCCC(=O)\C=C\Cl Amb17593395 [1,0,1,0,0,0|2,0,0]=4 826 B7R0.7 CCCC(=O)\C=C\N Amb17593176 [1,0,1,0,0,0|2,0,0]=4 827 B7R0.7 CCCC(=S)OCC Amb22168045 [1,0,1,0,0,0|0,1,1]=4 828 B7R0.7 CCC\C(Br)=C/C=O Amb28252419 [1,0,1,0,0,0|2,0,0]=4 829 B7R0.7 CCC\C(C)=C\C=O Amb27237056 [1,0,1,0,0,0|2,0,0]=4 830 B7R0.7 CCNC(=O)OCC Amb8517332 [1,0,1,0,0,0|1,0,1]=4 831 B7R0.7 CCOC(=O)CC=O Amb8394868 [1,0,1,0,0,0|2,0,0]=4 832 B7R0.7 CCOC(=O)CCBr Amb3940217 [1,0,1,0,0,0|1,0,1]=4 833 B7R0.7 CCOC(=O)CCCl Amb3940265 [1,0,1,0,0,0|1,0,1]=4 834 B7R0.7 CCOC(=O)CCF Amb22492835 [1,0,1,0,0,0|1,0,1]=4 835 B7R0.7 CCOC(=O)CCI Amb19957952 [1,0,1,0,0,0|1,0,1]=4 836 B7R0.7 CCOC(=O)CCN Amb2684293 [1,0,1,0,0,0|1,0,1]=4 837 B7R0.7 CCOC(=O)CCN Amb2697378 [1,0,1,0,0,0|1,0,1]=4 838 B7R0.7 CCOC(=O)CCO Amb8867845 [1,0,1,0,0,0|1,0,1]=4 839 B7R0.7 CCOC(=O)CCS Amb20620159 [1,0,1,0,0,0|1,0,1]=4 840 B7R0.7 CCOC(=O)CC[NH3+] Amb24113699 [1,0,1,0,0,0|1,0,1]=4 841 B7R0.7 CCOC(=O)CNC Amb33531143 [1,0,1,0,0,0|1,0,1]=4 842 B7R0.7 CCOC(=O)CNC Amb3941374 [1,0,1,0,0,0|1,0,1]=4 843 B7R0.7 CCOC(=O)COC Amb2726240 [1,0,1,0,0,0|1,0,1]=4 844 B7R0.7 CCOC(=O)CSC Amb8514150 [1,0,1,0,0,0|1,0,1]=4 845 B7R0.7 CCOC(=O)NC=O Amb28349177 [1,0,1,0,0,0|2,0,0]=4 846 B7R0.7 CCOC(=O)OCC Amb6608863 [1,0,1,0,0,0|1,0,1]=4 847 B7R0.7 CCOC(=O)[CH-]C=O Amb26035798 [1,0,1,0,0,0|2,0,0]=4 848 B7R0.7 C\C=C\C(=O)CCC Amb25717214 [1,0,1,0,0,0|1,0,0]=3 849 B7R0.7 C\C=C\C(=O)CCCl Amb27803642 [1,0,1,0,0,0|2,0,0]=4 850 B7R0.7 C\C=C\C(=O)COC Amb28315679 [1,0,1,0,0,0|2,0,0]=4 851 B7R0.7 C\C=C\C(=O)OCC Amb8513578 [1,0,1,0,0,0|2,0,0]=4 852 B7R0.7 C\C=N\S(=O)CCC Amb35732315 [1,0,1,0,0,0|2,0,0]=4 853 B7R0.7 O=CCC(=O)CCO Amb28255739 [1,0,1,0,0,0|2,0,0]=4 854 B7R0.2 C=C(C)CC(=O)CC Amb27600284 [1,0,1,0,0,0|2,0,0]=4 855 B7R0.2 C=C(CC)OC(C)=O Amb25202254 [1,0,1,0,0,0|1,0,0]=3 856 B7R0.2 CC(=O)CC(=O)CO Amb28316150 [1,0,1,0,0,0|2,0,0]=4 857 B7R0.2 CC(=O)NC(=O)CBr Amb33541733 [1,0,1,0,0,0|2,0,0]=4 858 B7R0.2 CC(=O)NC(=O)CCl Amb1105796 [1,0,1,0,0,0|2,0,0]=4 859 B7R0.2 CC(=O)NC(=O)CN Amb24117061 [1,0,1,0,0,0|2,0,0]=4 860 B7R0.2 CC(=O)OC(=O)CCl Amb27977084 [1,0,1,0,0,0|1,0,0]=3 861 B7R0.2 CC(=O)OC(=O)CN Amb28240797 [1,0,1,0,0,0|1,0,0]=3 862 B7R0.2 CCC(=O)C=C(C)C Amb25715052 [1,0,1,0,0,0|2,0,0]=4 863 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [1,0,1,0,0,0|2,0,0]=4 864 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [1,0,1,0,0,0|1,0,0]=3 865 B7R0.2 CCC(=O)CC(N)=O Amb8384375 [1,0,1,0,0,0|2,0,0]=4 866 B7R0.2 CCC(=O)CS(C)=O Amb27464042 [1,0,1,0,0,0|2,0,0]=4 867 B7R0.2 CCC(=O)NC(C)=O Amb27800787 [1,0,1,0,0,0|1,0,0]=3 868 B7R0.2 CCC(=O)NC(C)=S Amb28287319 [1,0,1,0,0,0|1,1,0]=4 869 B7R0.2 CCC(=O)NC(N)=O Amb27643460 [1,0,1,0,0,0|2,0,0]=4 870 B7R0.2 CCC(=O)OC(C)=O Amb21858081 [1,0,1,0,0,0|0,0,0]=2 871 B7R0.2 CCC(=O)OC(C)Br Amb27455631 [1,0,1,0,0,0|1,0,1]=4 872 B7R0.2 CCC(=O)OC(C)Cl Amb27477113 [1,0,1,0,0,0|1,0,1]=4 873 B7R0.2 CCC(=O)O[C@@H](C)N Amb27437862 [1,0,1,0,0,0|1,0,1]=4 874 B7R0.2 CCC(=O)\C=C(/C)Br Amb28315626 [1,0,1,0,0,0|2,0,0]=4 875 B7R0.2 CCC(=O)\C=C(\C)N Amb26526823 [1,0,1,0,0,0|2,0,0]=4 876 B7R0.2 CCC(Cl)OC(C)=O Amb27392214 [1,0,1,0,0,0|1,0,1]=4 877 B7R0.2 CCC(O)OC(C)=O Amb28256771 [1,0,1,0,0,0|0,0,2]=4 878 B7R0.2 CCS(=O)CC(C)=O Amb26873160 [1,0,1,0,0,0|2,0,0]=4 879 B7R0.2 CC\C(C)=C/C(C)=O Amb27424977 [1,0,1,0,0,0|2,0,0]=4 880 B7R0.2 CC\C(C)=C\C(C)=O Amb27985733 [1,0,1,0,0,0|2,0,0]=4 881 B7R0.2 CC\C(N)=N\C(C)=O Amb27391863 [1,0,1,0,0,0|2,0,0]=4 882 B7R0.2 CC\C(S)=C\C(C)=O Amb27775797 [1,0,1,0,0,0|1,1,0]=4 883 B7R0.2 CC\C([O-])=C\C(C)=O Amb19960031 [1,0,1,0,0,0|1,0,1]=4 884 B7R0.2 CNC(=O)CC(C)=O Amb6891968 [1,0,1,0,0,0|2,0,0]=4 885 B7R0.2 CNC(=O)NC(C)=O Amb2782874 [1,0,1,0,0,0|2,0,0]=4 886 B7R0.2 COC(=O)CC(C)=O Amb6608655 [1,0,1,0,0,0|2,0,0]=4 887 B7R0.4 C#CCCCC(=O)O Amb2721705 [1,0,1,0,0,0|0,0,2]=4 888 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [1,0,1,0,0,0|2,0,0]=4 889 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [1,0,1,0,0,0|1,0,1]=4 890 B7R0.4 C=CCCCC(=O)O Amb3941675 [1,0,1,0,0,0|0,0,1]=3 891 B7R0.4 C=CCCCC(C)=O Amb17593171 [1,0,1,0,0,0|1,0,1]=4 892 B7R0.4 C=CCNCC(=O)O Amb7766404 [1,0,1,0,0,0|1,0,1]=4 893 B7R0.4 C=CCNCC(=O)O Amb8631497 [1,0,1,0,0,0|1,0,1]=4 894 B7R0.4 C=CCOCC(=O)O Amb9208694 [1,0,1,0,0,0|1,0,1]=4 895 B7R0.4 C=CCSCC(=O)O Amb33526723 [1,0,1,0,0,0|1,0,1]=4 896 B7R0.4 C=CNCCC(=O)O Amb27429817 [1,0,1,0,0,0|1,0,1]=4 897 B7R0.4 C=COCCC(=O)O Amb28350126 [1,0,1,0,0,0|1,0,1]=4 898 B7R0.4 CC(=O)CCCCBr Amb16234126 [1,0,1,0,0,0|2,0,0]=4 899 B7R0.4 CC(=O)CCCCCl Amb3941549 [1,0,1,0,0,0|2,0,0]=4 900 B7R0.4 CC(=O)CCCCF Amb27490855 [1,0,1,0,0,0|2,0,0]=4 901 B7R0.4 CC(=O)CCCCN Amb27401218 [1,0,1,0,0,0|2,0,0]=4 902 B7R0.4 CC(=O)CCCCO Amb10603864 [1,0,1,0,0,0|1,0,1]=4 903 B7R0.4 CC(=O)NCCC=O Amb17102165 [1,0,1,0,0,0|2,0,0]=4 904 B7R0.4 CC(=O)OCCCBr Amb26515737 [1,0,1,0,0,0|1,0,1]=4 905 B7R0.4 CC(=O)OCCCCl Amb3940269 [1,0,1,0,0,0|1,0,1]=4 906 B7R0.4 CC(=O)OCCCO Amb25854267 [1,0,1,0,0,0|1,0,1]=4 907 B7R0.4 CC(=O)OCCCS Amb4018773 [1,0,1,0,0,0|1,0,1]=4 908 B7R0.4 CC(=O)SCCC=O Amb25101351 [1,0,1,0,0,0|2,0,0]=4 909 B7R0.4 CC(=O)\C=C\CCF Amb33196081 [1,0,1,0,0,0|2,0,0]=4 910 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [1,0,1,0,0,0|2,0,0]=4 911 B7R0.4 CC(O)CCCC=O Amb18641887 [1,0,1,0,0,0|1,0,1]=4 912 B7R0.4 CCCC#CC(C)=O Amb26844271 [1,0,1,0,0,0|1,0,1]=4 913 B7R0.4 CCCCCC(=O)F Amb26061517 [1,0,1,0,0,0|1,0,1]=4 914 B7R0.4 CCCCCC(=O)O Amb3939846 [1,0,1,0,0,0|0,0,1]=3 915 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [1,0,1,0,0,0|0,0,2]=4 916 B7R0.4 CCCCCC(C)=O Amb6608885 [1,0,1,0,0,0|1,0,1]=4 917 B7R0.4 CCCCNC(C)=O Amb5835711 [1,0,1,0,0,0|1,0,1]=4 918 B7R0.4 CCCCOC(=O)Cl Amb6608833 [1,0,1,0,0,0|1,0,1]=4 919 B7R0.4 CCCCOC(C)=O Amb6608782 [1,0,1,0,0,0|0,0,1]=3 920 B7R0.4 CCCCOC(N)=O Amb4136361 [1,0,1,0,0,0|1,0,1]=4 921 B7R0.4 CCCNCC(=O)O Amb10609640 [1,0,1,0,0,0|1,0,1]=4 922 B7R0.4 CCCNCC(=O)O Amb1110628 [1,0,1,0,0,0|1,0,1]=4 923 B7R0.4 CCCNCC(C)=O Amb26954588 [1,0,1,0,0,0|2,0,0]=4 924 B7R0.4 CCCOCC(=O)O Amb8874504 [1,0,1,0,0,0|1,0,1]=4 925 B7R0.4 CCCONC(C)=O Amb27764366 [1,0,1,0,0,0|2,0,0]=4 926 B7R0.4 CCCSCC(=O)O Amb1137113 [1,0,1,0,0,0|1,0,1]=4 927 B7R0.4 CCCSCC(C)=O Amb9668676 [1,0,1,0,0,0|2,0,0]=4 928 B7R0.4 CCC\C=C/C(C)=O Amb17593161 [1,0,1,0,0,0|1,0,0]=3 929 B7R0.4 CCC\C=C\C(=O)Cl Amb2688716 [1,0,1,0,0,0|2,0,0]=4 930 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,0,1,0,0,0|2,0,0]=4 931 B7R0.4 CCC\C=C\C(C)=O Amb20240563 [1,0,1,0,0,0|1,0,0]=3 932 B7R0.4 CCC\C=C\C(N)=O Amb26397290 [1,0,1,0,0,0|2,0,0]=4 933 B7R0.4 CCC\C=N\S(C)=O Amb29858759 [1,0,1,0,0,0|2,0,0]=4 934 B7R0.4 CCNCCC(=O)O Amb28934794 [1,0,1,0,0,0|1,0,1]=4 935 B7R0.4 CCNCCC(=O)O Amb7766402 [1,0,1,0,0,0|1,0,1]=4 936 B7R0.4 CCOCCC(=O)O Amb3939859 [1,0,1,0,0,0|1,0,1]=4 937 B7R0.4 CCO\C=C\C(C)=O Amb25330041 [1,0,1,0,0,0|2,0,0]=4 938 B7R0.4 CCSCCC(=O)O Amb6273140 [1,0,1,0,0,0|1,0,1]=4 939 B7R0.4 CCS\C=C/C(C)=O Amb28122375 [1,0,1,0,0,0|2,0,0]=4 940 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [1,0,1,0,0,0|1,0,1]=4 941 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [1,0,1,0,0,0|1,0,1]=4 942 B7R0.4 CNCCCC(=O)O Amb1153115 [1,0,1,0,0,0|1,0,1]=4 943 B7R0.4 CNCCCC(=O)O Amb4521435 [1,0,1,0,0,0|1,0,1]=4 944 B7R0.4 CNCCOC(C)=O Amb18124262 [1,0,1,0,0,0|1,0,1]=4 945 B7R0.4 CNCCOC(C)=O Amb33621071 [1,0,1,0,0,0|1,0,1]=4 946 B7R0.4 COCCCC(=O)O Amb6275629 [1,0,1,0,0,0|1,0,1]=4 947 B7R0.4 COCCOC(C)=O Amb4037074 [1,0,1,0,0,0|1,0,1]=4 948 B7R0.4 COC\C=C\C(C)=O Amb33359822 [1,0,1,0,0,0|2,0,0]=4 949 B7R0.4 CSCCCC(=O)O Amb17503622 [1,0,1,0,0,0|1,0,1]=4 950 B7R0.4 CSC\C=C/C(C)=O Amb25713058 [1,0,1,0,0,0|2,0,0]=4 951 B7R0.4 CSC\C=C\C(C)=O Amb33359530 [1,0,1,0,0,0|2,0,0]=4 952 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [1,0,1,0,0,0|1,0,1]=4 953 B7R0.4 N#CCCCC(=O)O Amb33542831 [1,0,1,0,0,0|1,0,1]=4 954 B7R0.4 NC(=O)CCCCBr Amb27875083 [1,0,1,0,0,0|2,0,0]=4 955 B7R0.4 NC(=O)CCCCCl Amb7782532 [1,0,1,0,0,0|2,0,0]=4 956 B7R0.4 NC(=O)CCCCO Amb3939470 [1,0,1,0,0,0|1,0,1]=4 957 B7R0.4 NC(=O)CCCCS Amb27839239 [1,0,1,0,0,0|1,1,0]=4 958 B7R0.4 NCCCCC(=O)Cl Amb26599615 [1,0,1,0,0,0|2,0,0]=4 959 B7R0.4 NCCCCC(=O)O Amb2780021 [1,0,1,0,0,0|1,0,0]=3 960 B7R0.4 NCCCCC(=O)O Amb3941646 [1,0,1,0,0,0|1,0,0]=3 961 B7R0.4 NCCCCC(=O)O Amb9825855 [1,0,1,0,0,0|1,0,0]=3 962 B7R0.4 NCCCCC(N)=O Amb18641897 [1,0,1,0,0,0|2,0,0]=4 963 B7R0.4 NCCCCC(N)=O Amb33552086 [1,0,1,0,0,0|2,0,0]=4 964 B7R0.4 NCCCCS(=O)O Amb27882127 [1,0,1,0,0,0|2,0,0]=4 965 B7R0.4 NCCCNC(=O)O Amb24093884 [1,0,1,0,0,0|2,0,0]=4 966 B7R0.4 NCCNCC(=O)O Amb17608063 [1,0,1,0,0,0|2,0,0]=4 967 B7R0.4 NCCNCC(=O)O Amb33339058 [1,0,1,0,0,0|2,0,0]=4 968 B7R0.4 NCCOCC(=O)O Amb18630146 [1,0,1,0,0,0|2,0,0]=4 969 B7R0.4 NCCOCC(=O)O Amb33550947 [1,0,1,0,0,0|2,0,0]=4 970 B7R0.4 NCCSCC(=O)O Amb17500446 [1,0,1,0,0,0|2,0,0]=4 971 B7R0.4 NCCSCC(=O)O Amb20622325 [1,0,1,0,0,0|2,0,0]=4 972 B7R0.4 NOCCCC(=O)O Amb10975956 [1,0,1,0,0,0|2,0,0]=4 973 B7R0.4 NOCCCC(=O)O Amb22011795 [1,0,1,0,0,0|2,0,0]=4 974 B7R0.4 NOCCCC(=O)O Amb31283653 [1,0,1,0,0,0|2,0,0]=4 975 B7R0.4 O=C(Cl)CCCCBr Amb2685557 [1,0,1,0,0,0|2,0,0]=4 976 B7R0.4 O=C(Cl)CCCCCl Amb6296596 [1,0,1,0,0,0|2,0,0]=4 977 B7R0.4 O=C(O)CCCCBr Amb6608763 [1,0,1,0,0,0|1,0,0]=3 978 B7R0.4 O=C(O)CCCCCl Amb3940369 [1,0,1,0,0,0|1,0,0]=3 979 B7R0.4 O=C(O)CCCCF Amb26639920 [1,0,1,0,0,0|1,0,0]=3 980 B7R0.4 O=C(O)CCCCO Amb9214971 [1,0,1,0,0,0|0,0,1]=3 981 B7R0.4 O=C(O)CCCCS Amb17503767 [1,0,1,0,0,0|0,1,0]=3 982 B7R0.4 O=C(O)CCCNCl Amb27173950 [1,0,1,0,0,0|2,0,0]=4 983 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [1,0,1,0,0,0|1,0,1]=4 984 B7R0.4 O=C(O)CNCCF Amb28076282 [1,0,1,0,0,0|2,0,0]=4 985 B7R0.4 O=C(O)CNCCO Amb9325653 [1,0,1,0,0,0|1,0,1]=4 986 B7R0.4 O=C(O)COCCCl Amb21857870 [1,0,1,0,0,0|2,0,0]=4 987 B7R0.4 O=C(O)COCCF Amb27866609 [1,0,1,0,0,0|2,0,0]=4 988 B7R0.4 O=C(O)COCCO Amb6680914 [1,0,1,0,0,0|1,0,1]=4 989 B7R0.4 O=C(O)CSCCCl Amb18644703 [1,0,1,0,0,0|2,0,0]=4 990 B7R0.4 O=C([O-])CCCCF Amb33527827 [1,0,1,0,0,0|1,0,1]=4 991 B7R0.4 O=C([O-])CCCCO Amb13952763 [1,0,1,0,0,0|0,0,2]=4 992 B7R0.4 O=C([O-])CCCCO Amb22749314 [1,0,1,0,0,0|0,0,2]=4 993 B7R0.4 O=C=NCCC(=O)O Amb26053417 [1,0,1,0,0,0|1,0,1]=4 994 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,0,1,0,0,0|0,0,0]=2 995 B7R0.4 O=CCCCC(O)O Amb25889261 [1,0,1,0,0,0|0,0,2]=4 996 B7R0.4 O=CNCCC(=O)O Amb18290434 [1,0,1,0,0,0|1,0,0]=3 997 B7R0.4 O=CNOCC(=O)O Amb27477273 [1,0,1,0,0,0|2,0,0]=4 998 B7R0.4 O=NSCCC(=O)O Amb28429846 [1,0,1,0,0,0|2,0,0]=4 999 B7R1.24 C1=CCCCC=C1 Amb22002708 [2,0,0,0,0,0|1,0,1]=4 1000 B7R1.24 C1=CCCCCC1 Amb8515344 [2,0,0,0,0,0|1,0,1]=4 1001 B7R1.24 C1=COCCCC1 Amb28254269 [2,0,0,0,0,0|0,0,2]=4 1002 B7R1.24 C1=NCCCCC1 Amb27445210 [2,0,0,0,0,0|1,0,1]=4 1003 B7R1.24 C1CCCOCC1 Amb22045221 [2,0,0,0,0,0|0,0,2]=4 1004 B7R1.24 C1CCNOCC1 Amb28769693 [2,0,0,0,0,0|1,0,1]=4 1005 B9R0.4 C=C(CCCC)CC(=O)O Amb18643896 [0,1,1,0,0,0|2,0,0]=4 1006 B9R0.4 CC(=O)NC(=O)CCCCl Amb28135496 [0,1,1,0,0,0|2,0,0]=4 1007 B9R0.4 CC(=O)OC(=O)CCC=O Amb27224215 [0,1,1,0,0,0|1,0,1]=4 1008 B9R0.4 CC(=O)OC(=O)CCCCl Amb27597994 [0,1,1,0,0,0|1,0,0]=3 1009 B9R0.4 CCCCC(=O)C=C(C)C Amb27664643 [0,1,1,0,0,0|2,0,0]=4 1010 B9R0.4 CCCCC(=O)CC(C)=O Amb9775080 [0,1,1,0,0,0|1,0,0]=3 1011 B9R0.4 CCCCC(=O)CC(N)=S Amb27590363 [0,1,1,0,0,0|1,1,0]=4 1012 B9R0.4 CCCCC(=O)NC(=N)N Amb28193272 [0,1,1,0,0,0|2,0,0]=4 1013 B9R0.4 CCCCC(=O)NC(N)=O Amb28050036 [0,1,1,0,0,0|1,0,0]=3 1014 B9R0.4 CCCCC(=O)OC(C)=O Amb34916560 [0,1,1,0,0,0|0,0,0]=2 1015 B9R0.4 CCCCC(=O)OC(C)C Amb22733766 [0,1,1,0,0,0|1,0,1]=4 1016 B9R0.4 CCCCC(=S)NC(C)=O Amb28341039 [0,1,1,0,0,0|1,1,0]=4 1017 B9R0.4 CCCCC(C)OC(=O)Cl Amb32654980 [0,1,1,0,0,0|1,0,1]=4 1018 B9R0.4 CCCCC(C)OC(C)=O Amb27594424 [0,1,1,0,0,0|1,0,1]=4 1019 B9R0.4 CCCCC(C)OC(N)=O Amb28050035 [0,1,1,0,0,0|1,0,1]=4 1020 B9R0.4 CCCCS(=O)CC(=O)O Amb18792577 [0,1,1,0,0,0|2,0,0]=4 1021 B9R0.4 CCCC\C(Br)=C/C(=O)O Amb27622154 [0,1,1,0,0,0|2,0,0]=4 1022 B9R0.4 CCCC\C(C)=C\C(=O)O Amb25929028 [0,1,1,0,0,0|2,0,0]=4 1023 B9R0.4 CCCC\C(C)=N\C(N)=O Amb27645991 [0,1,1,0,0,0|2,0,0]=4 1024 B9R0.4 CCCC\C(O)=C/C(C)=O Amb28184671 [0,1,1,0,0,0|1,0,1]=4 1025 B9R0.4 CCCC\C(O)=C\C(C)=O Amb27432598 [0,1,1,0,0,0|1,0,1]=4 1026 B9R0.4 CCCNC(=O)CC(=O)O Amb17399888 [0,1,1,0,0,0|2,0,0]=4 1027 B9R0.4 CCCNC(=O)CC(C)=O Amb4025887 [0,1,1,0,0,0|2,0,0]=4 1028 B9R0.4 CCCOC(=O)CC(=O)O Amb27254303 [0,1,1,0,0,0|2,0,0]=4 1029 B9R0.4 CCCOC(=O)CC(C)=O Amb17593619 [0,1,1,0,0,0|2,0,0]=4 1030 B9R0.4 CCCOC(=O)CC(N)=O Amb28125596 [0,1,1,0,0,0|2,0,0]=4 1031 B9R0.4 CCCSC(=O)CC(C)=O Amb28126646 [0,1,1,0,0,0|2,0,0]=4 1032 B9R0.4 CCNCC(=O)NC(N)=O Amb6661156 [0,1,1,0,0,0|2,0,0]=4 1033 B9R0.4 CCOCC(=O)NC(N)=O Amb28201265 [0,1,1,0,0,0|2,0,0]=4 1034 B9R0.4 CNCCC(=O)NC(N)=O Amb27945637 [0,1,1,0,0,0|2,0,0]=4 1035 B9R0.4 COCCC(=O)CC(C)=O Amb25760850 [0,1,1,0,0,0|2,0,0]=4 1036 B9R0.4 NC(=O)NC(=O)CCCCl Amb10610473 [0,1,1,0,0,0|2,0,0]=4 1037 B9R0.4 NCCCC(=O)NC(N)=O Amb18251281 [0,1,1,0,0,0|2,0,0]=4 1038 B9R0.4 NCCCC(=O)NC(N)=O Amb20669155 [0,1,1,0,0,0|2,0,0]=4 1039 B9R0.5 C=CCC(=O)CCCCCl Amb27254167 [0,1,1,0,0,0|2,0,0]=4 1040 B9R0.5 C=CCC(=O)CCCCN Amb27251890 [0,1,1,0,0,0|2,0,0]=4 1041 B9R0.5 C=CCC(=O)CCCNC Amb27196074 [0,1,1,0,0,0|2,0,0]=4 1042 B9R0.5 C=CCC(=O)CNCCC Amb27190835 [0,1,1,0,0,0|2,0,0]=4 1043 B9R0.5 C=CCC(=O)COCCC Amb28457139 [0,1,1,0,0,0|2,0,0]=4 1044 B9R0.5 C=CCC(=O)OCCCC Amb28049467 [0,1,1,0,0,0|2,0,0]=4 1045 B9R0.5 C=COC(=O)OCCCO Amb27833648 [0,1,1,0,0,0|2,0,0]=4 1046 B9R0.5 CCCCCC(=O)\C=C\Cl Amb26411947 [0,1,1,0,0,0|2,0,0]=4 1047 B9R0.5 CCCCCC(=O)\C=C\I Amb26013833 [0,1,1,0,0,0|2,0,0]=4 1048 B9R0.5 CCCCC\C(C)=C\C=O Amb27841277 [0,1,1,0,0,0|2,0,0]=4 1049 B9R0.5 CCCCNC(=O)OCC Amb10552892 [0,1,1,0,0,0|1,0,1]=4 1050 B9R0.5 CCCCOC(=O)OCCl Amb26509700 [0,1,1,0,0,0|1,0,1]=4 1051 B9R0.5 CCCCSC(=O)N=C=O Amb28240337 [0,1,1,0,0,0|1,0,1]=4 1052 B9R0.5 CCCNCC(=O)OCC Amb6714488 [0,1,1,0,0,0|1,0,1]=4 1053 B9R0.5 CCNCCC(=O)OCC Amb9026175 [0,1,1,0,0,0|1,0,1]=4 1054 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [0,1,1,0,0,0|1,0,1]=4 1055 B9R0.5 CCOC(=O)CCCCI Amb4006406 [0,1,1,0,0,0|1,0,1]=4 1056 B9R0.5 CCOC(=O)CCCCN Amb10807401 [0,1,1,0,0,0|1,0,1]=4 1057 B9R0.5 CCOC(=O)CCCCN Amb33527726 [0,1,1,0,0,0|1,0,1]=4 1058 B9R0.5 CCOC(=O)CCCNC Amb9204023 [0,1,1,0,0,0|1,0,1]=4 1059 B9R0.5 CCOC(=O)CCCOC Amb27837737 [0,1,1,0,0,0|1,0,1]=4 1060 B9R0.5 CCOC(=O)CCCSC Amb25058939 [0,1,1,0,0,0|1,0,1]=4 1061 B9R0.5 CCOC(=O)CCSCC Amb9026307 [0,1,1,0,0,0|1,0,1]=4 1062 B9R0.5 CCOCCC(=O)OCC Amb6608774 [0,1,1,0,0,0|1,0,1]=4 1063 B9R0.5 CCOCCC(=O)ONN Amb28423241 [0,1,1,0,0,0|2,0,0]=4 1064 B9R0.5 COCCCS(=O)CC=O Amb27830933 [0,1,1,0,0,0|2,0,0]=4 1065 B9R0.5 C\C=C\C(=O)CCCCC Amb25146367 [0,1,1,0,0,0|2,0,0]=4 1066 B9R0.5 C\C=C\C(=O)CCCCF Amb27652289 [0,1,1,0,0,0|2,0,0]=4 1067 B9R0.5 C\C=C\C(=O)CCCOC Amb27235499 [0,1,1,0,0,0|2,0,0]=4 1068 B9R0.5 C\C=C\C(=O)COCCC Amb28312884 [0,1,1,0,0,0|2,0,0]=4 1069 B9R0.5 C\C=C\C(=O)NCCCC Amb27474050 [0,1,1,0,0,0|2,0,0]=4 1070 B9R0.5 C\C=C\C(=O)OCCCC Amb17940289 [0,1,1,0,0,0|2,0,0]=4 1071 B9R0.5 O=NOC(=O)CCCCCl Amb27214641 [0,1,1,0,0,0|1,0,0]=3 1072 B9R0.8 C=CC(=O)C(=O)CCCC Amb27617179 [0,1,1,0,0,0|2,0,0]=4 1073 B9R0.8 C\C=C(/C)C(=O)CCCC Amb27614929 [0,1,1,0,0,0|2,0,0]=4 1074 B9R0.18 C=CCOC(=O)CCCBr Amb22049553 [0,1,1,0,0,0|2,0,0]=4 1075 B9R0.18 C=CCOC(=O)CCCN Amb24452753 [0,1,1,0,0,0|2,0,0]=4 1076 B9R0.18 C=CCOC(=O)CCSC Amb28280157 [0,1,1,0,0,0|2,0,0]=4 1077 B9R0.18 C=CCOC(=O)COCC Amb27262229 [0,1,1,0,0,0|2,0,0]=4 1078 B9R0.18 C=CCOC(=O)NCCC Amb27259611 [0,1,1,0,0,0|2,0,0]=4 1079 B9R0.18 CCCCC(=O)COCC Amb26504310 [0,1,1,0,0,0|1,0,1]=4 1080 B9R0.18 CCCCC(=O)NCC=O Amb17102058 [0,1,1,0,0,0|1,0,0]=3 1081 B9R0.18 CCCCC(=O)NOCC Amb10572674 [0,1,1,0,0,0|1,0,1]=4 1082 B9R0.18 CCCCC(=O)OCCBr Amb24709719 [0,1,1,0,0,0|1,0,1]=4 1083 B9R0.18 CCCCC(=O)OCCO Amb27218716 [0,1,1,0,0,0|0,0,2]=4 1084 B9R0.18 CCCCC(=O)\C=C\C=O Amb27252353 [0,1,1,0,0,0|1,0,0]=3 1085 B9R0.18 CCCCC(=O)\C=C\CCl Amb24688759 [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.18 CCCCC(=O)\C=C\OC Amb26388254 [0,1,1,0,0,0|1,0,1]=4 1087 B9R0.18 CCCC\C(C)=N\NC=O Amb28125598 [0,1,1,0,0,0|2,0,0]=4 1088 B9R0.18 CCCOC(=O)CCC=O Amb28049916 [0,1,1,0,0,0|2,0,0]=4 1089 B9R0.18 CC\C=C\C(=O)CCCC Amb25219828 [0,1,1,0,0,0|2,0,0]=4 1090 B9R0.18 COCCC(=O)NNC=O Amb28315998 [0,1,1,0,0,0|2,0,0]=4 1091 B9R0.34 C=CCC(=O)C[C@@H](O)CC Amb27950899 [0,1,1,0,0,0|2,0,0]=4 1092 B9R0.34 CCC(=O)CC(=O)NC=O Amb27784866 [0,1,1,0,0,0|1,0,1]=4 1093 B9R0.34 CCC(C)CC(=O)OCCl Amb32677197 [0,1,1,0,0,0|1,0,1]=4 1094 B9R0.34 CCOC(=O)CC(N)CC Amb18644203 [0,1,1,0,0,0|1,0,1]=4 1095 B9R0.34 CCOC(=O)CC(O)CC Amb24476858 [0,1,1,0,0,0|1,0,1]=4 1096 B9R0.34 CCOC(=O)C[C@@H](N)CC Amb26960441 [0,1,1,0,0,0|1,0,1]=4 1097 B9R0.34 CCOC(=O)C[C@@H](O)CC Amb27839424 [0,1,1,0,0,0|1,0,1]=4 1098 B9R0.34 CCOC(=O)C[C@H](N)CC Amb24351614 [0,1,1,0,0,0|1,0,1]=4 1099 B9R0.34 C\C=C\C(=O)CC(C)CC Amb27839574 [0,1,1,0,0,0|2,0,0]=4 1100 B9R0.35 C=CCC(=O)C(N)CCC Amb27866592 [0,1,1,0,0,0|2,0,0]=4 1101 B9R0.35 CCCC(Br)C(=O)OCC Amb3939966 [0,1,1,0,0,0|1,0,1]=4 1102 B9R0.35 CCCC(C)C(=O)OCC Amb9273976 [0,1,1,0,0,0|1,0,1]=4 1103 B9R0.35 CCCC(C)C(=O)\C=C\Cl Amb26488928 [0,1,1,0,0,0|2,0,0]=4 1104 B9R0.35 CCCC(Cl)C(=O)OCC Amb18800860 [0,1,1,0,0,0|1,0,1]=4 1105 B9R0.35 CCCC(N)C(=O)OCC Amb9494880 [0,1,1,0,0,0|1,0,1]=4 1106 B9R0.35 CCCC(O)C(=O)OCC Amb22350176 [0,1,1,0,0,0|1,0,1]=4 1107 B9R0.35 CCC[C@@H](N)C(=O)OCC Amb8385904 [0,1,1,0,0,0|1,0,1]=4 1108 B9R0.35 CCC[C@H](N)C(=O)OCC Amb16233901 [0,1,1,0,0,0|1,0,1]=4 1109 B9R0.35 CCC[C@H](N)C(=O)OCC Amb22747761 [0,1,1,0,0,0|1,0,1]=4 1110 B9R0.35 CCC[C@H](O)C(=O)OCC Amb27750209 [0,1,1,0,0,0|1,0,1]=4 1111 B9R0.40 CCCC\C(=C\C=O)CC Amb27467797 [0,1,1,0,0,0|2,0,0]=4 1112 B9R0.48 CC(C)CCC(=O)N=C=O Amb25202030 [0,1,1,0,0,0|1,0,1]=4 1113 B9R0.48 CC(C)CCC(=O)OCCl Amb24480678 [0,1,1,0,0,0|1,0,1]=4 1114 B9R0.48 CC(C)CCC(=O)\C=C\Cl Amb17594013 [0,1,1,0,0,0|2,0,0]=4 1115 B9R0.48 CC(O)CCC(C)OC=O Amb27614301 [0,1,1,0,0,0|1,0,1]=4 1116 B9R0.48 CCOC(=O)CCC(C)Br Amb20618752 [0,1,1,0,0,0|1,0,1]=4 1117 B9R0.48 CCOC(=O)CCC(C)C Amb9273760 [0,1,1,0,0,0|1,0,1]=4 1118 B9R0.48 CCOC(=O)CCC(C)N Amb25690130 [0,1,1,0,0,0|1,0,1]=4 1119 B9R0.48 CCOC(=O)CCC(C)N Amb33552104 [0,1,1,0,0,0|1,0,1]=4 1120 B9R0.48 CCOC(=O)CCC(C)O Amb26877286 [0,1,1,0,0,0|1,0,1]=4 1121 B9R0.48 CCOC(=O)CC[C@@H](C)O Amb27486190 [0,1,1,0,0,0|1,0,1]=4 1122 B9R0.48 CCOC(=O)CC[C@H](C)O Amb28370101 [0,1,1,0,0,0|1,0,1]=4 1123 B9R0.48 C\C(=C/C=O)CCC(C)C Amb27268552 [0,1,1,0,0,0|2,0,0]=4 1124 B9R0.6 CCCC(=O)C(C)=C(C)C Amb28202368 [0,1,1,0,0,0|2,0,0]=4 1125 B9R0.6 CCCC(=O)C(C)C(C)=O Amb17593599 [0,1,1,0,0,0|1,0,0]=3 1126 B9R0.6 CCNC(=O)C(Cl)C(C)=O Amb26979740 [0,1,1,0,0,0|2,0,0]=4 1127 B9R0.6 CCOC(=O)C(=N)C(C)=O Amb24527856 [0,1,1,0,0,0|2,0,0]=4 1128 B9R0.6 CCOC(=O)C(=O)C(C)=O Amb17593616 [0,1,1,0,0,0|2,0,0]=4 1129 B9R0.6 CCOC(=O)C(Br)C(C)=O Amb22232107 [0,1,1,0,0,0|2,0,0]=4 1130 B9R0.6 CCOC(=O)C(C)C(C)=O Amb3941651 [0,1,1,0,0,0|2,0,0]=4 1131 B9R0.6 CCOC(=O)C(Cl)C(C)=O Amb932833 [0,1,1,0,0,0|2,0,0]=4 1132 B9R0.6 CCOC(=O)C(F)C(C)=O Amb2687850 [0,1,1,0,0,0|2,0,0]=4 1133 B9R0.6 CCOC(=O)C(N)C(C)=O Amb18124722 [0,1,1,0,0,0|2,0,0]=4 1134 B9R0.6 CCOC(=O)C(N)C(C)=O Amb6893882 [0,1,1,0,0,0|2,0,0]=4 1135 B9R0.6 CCOC(=O)C(O)C(C)=O Amb17593653 [0,1,1,0,0,0|2,0,0]=4 1136 B9R0.6 CCOC(=O)[C-](C)C(C)=O Amb27432632 [0,1,1,0,0,0|2,0,0]=4 1137 B9R0.6 COCC(=O)C(Cl)C(C)=O Amb27617106 [0,1,1,0,0,0|2,0,0]=4 1138 B9R0.14 C=CC(CCC)OC(C)=O Amb22227963 [0,1,1,0,0,0|1,0,1]=4 1139 B9R0.14 CCCC(C#N)OC(C)=O Amb28345160 [0,1,1,0,0,0|1,0,1]=4 1140 B9R0.14 CCCC(C=O)OC(C)=O Amb18644107 [0,1,1,0,0,0|0,0,1]=3 1141 B9R0.14 CCC\C(=C\C(C)=O)CC Amb26907948 [0,1,1,0,0,0|2,0,0]=4 1142 B9R0.14 CCC\C(=C\C(C)=O)NC Amb27233878 [0,1,1,0,0,0|2,0,0]=4 1143 B9R0.14 CCC\C(=C\C(C)=O)OC Amb28248004 [0,1,1,0,0,0|1,0,1]=4 1144 B9R0.14 CC\C=C(/CBr)OC(C)=O Amb27425094 [0,1,1,0,0,0|1,0,1]=4 1145 B9R0.14 CC\C=C(\C=O)OC(C)=O Amb18643839 [0,1,1,0,0,0|0,0,1]=3 1146 B9R0.23 C=C(C)CC(=O)C(C)CC Amb27875938 [0,1,1,0,0,0|2,0,0]=4 1147 B9R0.23 C=C(C)CC(=O)C(N)CC Amb28050385 [0,1,1,0,0,0|2,0,0]=4 1148 B9R0.23 CC(=O)NC(=O)C(C)CCl Amb18798253 [0,1,1,0,0,0|2,0,0]=4 1149 B9R0.23 CC(=O)OC(=O)C(O)CO Amb27805333 [0,1,1,0,0,0|1,0,0]=3 1150 B9R0.23 CC(=O)OC(=O)[C@@H](N)CS Amb27837858 [0,1,1,0,0,0|1,0,0]=3 1151 B9R0.23 CCC(=O)C(=O)OC(C)=O Amb27423514 [0,1,1,0,0,0|0,0,1]=3 1152 B9R0.23 CCC(Br)C(=O)OC(C)C Amb18090814 [0,1,1,0,0,0|1,0,1]=4 1153 B9R0.23 CCC(Br)C(C)OC(C)=O Amb27234888 [0,1,1,0,0,0|1,0,1]=4 1154 B9R0.23 CCC(C)C(=N)CC(C)=O Amb27629398 [0,1,1,0,0,0|2,0,0]=4 1155 B9R0.23 CCC(C)C(=O)CC(C)=O Amb24544654 [0,1,1,0,0,0|1,0,0]=3 1156 B9R0.23 CCC(C)C(=O)CS(C)=O Amb27837870 [0,1,1,0,0,0|2,0,0]=4 1157 B9R0.23 CCC(C)C(=O)NC(N)=O Amb28050080 [0,1,1,0,0,0|2,0,0]=4 1158 B9R0.23 CCC(C)\C(C)=C\C(C)=O Amb27196911 [0,1,1,0,0,0|2,0,0]=4 1159 B9R0.23 CCC(Cl)C(=O)NC(C)=O Amb27407290 [0,1,1,0,0,0|1,0,0]=3 1160 B9R0.23 CCC(Cl)C(C)OC(C)=O Amb28208308 [0,1,1,0,0,0|1,0,1]=4 1161 B9R0.23 CCC(F)C(=O)OC(C)C Amb24401229 [0,1,1,0,0,0|1,0,1]=4 1162 B9R0.23 CCC(N)C(=O)C=C(C)C Amb27168484 [0,1,1,0,0,0|2,0,0]=4 1163 B9R0.23 CCC(N)C(=O)NC(N)=O Amb27869473 [0,1,1,0,0,0|2,0,0]=4 1164 B9R0.23 CC[C@@H](Cl)[C@H](C)OC(C)=O Amb27790836 [0,1,1,0,0,0|1,0,1]=4 1165 B9R0.23 CC[C@@H](N)C(=O)C=C(C)C Amb35595871 [0,1,1,0,0,0|2,0,0]=4 1166 B9R0.23 CC[C@@H](N)C(=O)OC(C)C Amb27174448 [0,1,1,0,0,0|1,0,1]=4 1167 B9R0.23 CC[C@H](N)C(=O)C=C(C)C Amb35601241 [0,1,1,0,0,0|2,0,0]=4 1168 B9R0.23 CC[C@H](N)C(=O)OC(C)C Amb25910597 [0,1,1,0,0,0|1,0,1]=4 1169 B9R0.23 CC[C@H](N)C(=O)OC(C)C Amb33295377 [0,1,1,0,0,0|1,0,1]=4 1170 B9R0.23 COC(C)C(=O)CC(C)=O Amb26479508 [0,1,1,0,0,0|2,0,0]=4 1171 B9R0.44 CCCC(=O)OC(C)(C)C Amb27453114 [0,1,1,0,0,0|1,0,1]=4 1172 B9R0.44 CCCC(=O)OS(=O)(=O)Cl Amb27175368 [0,1,1,0,0,0|2,0,0]=4 1173 B9R0.44 CCCC(=O)O[Si](C)(C)C Amb8515748 [0,1,1,0,0,0|1,1,0]=4 1174 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [0,1,1,0,0,0|1,0,1]=4 1175 B9R0.53 CC(=O)CC(=O)CC(C)C Amb8516702 [0,1,1,0,0,0|1,0,0]=3 1176 B9R0.53 CC(=O)CC(=O)NC(C)=O Amb2410281 [0,1,1,0,0,0|1,0,1]=4 1177 B9R0.53 CC(=O)CC(=O)OC(C)=O Amb28460740 [0,1,1,0,0,0|0,0,1]=3 1178 B9R0.53 CC(=O)CC(=O)OC(C)C Amb6608870 [0,1,1,0,0,0|2,0,0]=4 1179 B9R0.53 CC(=O)OC(C)CC(C)Br Amb27257886 [0,1,1,0,0,0|1,0,1]=4 1180 B9R0.53 CC(=O)OC(C)CC(C)C Amb22733405 [0,1,1,0,0,0|1,0,1]=4 1181 B9R0.53 CC(=O)OC(C)CC(C)Cl Amb28119662 [0,1,1,0,0,0|1,0,1]=4 1182 B9R0.53 CC(=O)O[C@H](C)C[C@@H](C)Cl Amb27945614 [0,1,1,0,0,0|1,0,1]=4 1183 B9R0.53 CC(=O)O[C@H](C)C[C@H](C)Cl Amb27433810 [0,1,1,0,0,0|1,0,1]=4 1184 B9R0.53 CC(=O)O\C(C)=C/C(C)Br Amb28049986 [0,1,1,0,0,0|1,0,1]=4 1185 B9R0.53 CC(=O)[CH-]C(=O)CC(C)=O Amb28182517 [0,1,1,0,0,0|1,0,1]=4 1186 B9R0.53 CC(=O)\C=C(/C)CC(C)C Amb28063284 [0,1,1,0,0,0|2,0,0]=4 1187 B9R0.53 CC(=O)\C=C(/O)CC(C)C Amb28288330 [0,1,1,0,0,0|1,0,1]=4 1188 B9R0.53 CC(C)=CC(=O)CC(C)N Amb28050408 [0,1,1,0,0,0|2,0,0]=4 1189 B9R0.53 CC(C)CC(=O)OC(C)C Amb22731225 [0,1,1,0,0,0|1,0,1]=4 1190 B9R0.53 CC(C)OC(=O)C[C@@H](C)N Amb27452864 [0,1,1,0,0,0|1,0,1]=4 1191 B9R0.53 CC(C)OC(=O)C[C@@H](C)O Amb28050747 [0,1,1,0,0,0|1,0,1]=4 1192 B9R0.53 CC(Cl)CC(=O)OC(C)C Amb27658947 [0,1,1,0,0,0|1,0,1]=4 1193 B9R0.53 CC(N)CC(=O)NC(N)=O Amb27397813 [0,1,1,0,0,0|2,0,0]=4 1194 B9R0.53 CC(N)CC(=O)OC(C)C Amb9493114 [0,1,1,0,0,0|1,0,1]=4 1195 B9R0.53 CC(O)CC(=O)OC(C)C Amb28189370 [0,1,1,0,0,0|1,0,1]=4 1196 B9R0.53 C\C(N)=C\C(=O)C[C@@H](C)O Amb28429665 [0,1,1,0,0,0|2,0,0]=4 1197 B9R0.53 C\C(N)=C\C(=O)C[C@H](C)O Amb27252121 [0,1,1,0,0,0|2,0,0]=4 1198 B9R0.58 CCCC(C)(C)OC(C)=O Amb27875922 [0,1,1,0,0,0|1,0,1]=4 1199 B9R0.58 CCCS(=O)(=O)CC(C)=O Amb26971329 [0,1,1,0,0,0|2,0,0]=4 1200 B9R0.1 C#CC(C)CCCC(=O)O Amb27273525 [0,1,1,0,0,0|1,0,1]=4 1201 B9R0.1 C=C(C)CCC[C@H](C)C=O Amb27230540 [0,1,1,0,0,0|2,0,0]=4 1202 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [0,1,1,0,0,0|1,0,1]=4 1203 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [0,1,1,0,0,0|1,0,1]=4 1204 B9R0.1 C=CC(C)CCCC(C)=O Amb27596967 [0,1,1,0,0,0|2,0,0]=4 1205 B9R0.1 C=CC(C)COCC(=O)O Amb27831618 [0,1,1,0,0,0|2,0,0]=4 1206 B9R0.1 C=CC(C)OCCC(=O)O Amb27404617 [0,1,1,0,0,0|2,0,0]=4 1207 B9R0.1 C=C[C@@H](C)CCCC(C)=O Amb24379305 [0,1,1,0,0,0|2,0,0]=4 1208 B9R0.1 CC(=O)CCC[C@@H](Cl)C=O Amb28396498 [0,1,1,0,0,0|1,0,0]=3 1209 B9R0.1 CC(=O)OCCC(C)C=O Amb28387659 [0,1,1,0,0,0|2,0,0]=4 1210 B9R0.1 CC(=O)OCCC(Cl)C=O Amb28050881 [0,1,1,0,0,0|2,0,0]=4 1211 B9R0.1 CC(C#N)CCCC(=O)O Amb18643710 [0,1,1,0,0,0|1,0,1]=4 1212 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [0,1,1,0,0,0|0,0,0]=2 1213 B9R0.1 CC(C=O)CCCS(C)=O Amb28142475 [0,1,1,0,0,0|2,0,0]=4 1214 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [0,1,1,0,0,0|1,0,1]=4 1215 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [0,1,1,0,0,0|1,0,1]=4 1216 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [0,1,1,0,0,0|1,0,1]=4 1217 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [0,1,1,0,0,0|1,0,1]=4 1218 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [0,1,1,0,0,0|2,0,0]=4 1219 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [0,1,1,0,0,0|0,0,2]=4 1220 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [0,1,1,0,0,0|1,0,1]=4 1221 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [0,1,1,0,0,0|0,0,2]=4 1222 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [0,1,1,0,0,0|1,0,1]=4 1223 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [0,1,1,0,0,0|1,0,0]=3 1224 B9R0.2 C#CCCCCCC(=O)O Amb22232010 [0,1,1,0,0,0|1,0,1]=4 1225 B9R0.2 C#CCCCSCC(=O)O Amb27984745 [0,1,1,0,0,0|1,0,1]=4 1226 B9R0.2 C#CCCNCCC(=O)O Amb9326411 [0,1,1,0,0,0|1,0,1]=4 1227 B9R0.2 C#CCCOCCC(=O)O Amb27406242 [0,1,1,0,0,0|1,0,1]=4 1228 B9R0.2 C#CCOCCCC(=O)O Amb9208659 [0,1,1,0,0,0|1,0,1]=4 1229 B9R0.2 C#CCSCCCC(=O)O Amb17503626 [0,1,1,0,0,0|1,0,1]=4 1230 B9R0.2 C#C\C=C\CCCC(=O)O Amb27227921 [0,1,1,0,0,0|1,0,1]=4 1231 B9R0.2 C=C(C)CCCOCC=O Amb27617165 [0,1,1,0,0,0|2,0,0]=4 1232 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [0,1,1,0,0,0|1,0,0]=3 1233 B9R0.2 C=CCCCCCC(C)=O Amb33544200 [0,1,1,0,0,0|2,0,0]=4 1234 B9R0.2 C=CCCCCNC(C)=O Amb27436512 [0,1,1,0,0,0|2,0,0]=4 1235 B9R0.2 C=CCCCCOC(C)=O Amb10842183 [0,1,1,0,0,0|2,0,0]=4 1236 B9R0.2 C=CCCCNCC(=O)O Amb28119977 [0,1,1,0,0,0|1,0,0]=3 1237 B9R0.2 C=CCCCOCC(=O)O Amb27217276 [0,1,1,0,0,0|1,0,0]=3 1238 B9R0.2 C=CCCCOCC(C)=O Amb27474466 [0,1,1,0,0,0|2,0,0]=4 1239 B9R0.2 C=CCCCSCC(=O)O Amb27838988 [0,1,1,0,0,0|1,0,0]=3 1240 B9R0.2 C=CCCNCCC(=O)O Amb27839020 [0,1,1,0,0,0|1,0,0]=3 1241 B9R0.2 C=CCCOCCC(N)=O Amb27394496 [0,1,1,0,0,0|2,0,0]=4 1242 B9R0.2 C=CCCSCCC(=O)O Amb28201215 [0,1,1,0,0,0|1,0,0]=3 1243 B9R0.2 C=CCC\C=C\CC(=O)O Amb18643551 [0,1,1,0,0,0|1,0,1]=4 1244 B9R0.2 C=CCOCCCC(=O)O Amb33531507 [0,1,1,0,0,0|1,0,0]=3 1245 B9R0.2 C=CCOCCCC(C)=O Amb27590994 [0,1,1,0,0,0|2,0,0]=4 1246 B9R0.2 C=CCOCCCC(N)=O Amb27629257 [0,1,1,0,0,0|2,0,0]=4 1247 B9R0.2 C=CCSCCCC(=O)O Amb27392354 [0,1,1,0,0,0|1,0,0]=3 1248 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [0,1,1,0,0,0|1,0,1]=4 1249 B9R0.2 CC(=O)CCCCN=C=O Amb27838960 [0,1,1,0,0,0|1,0,1]=4 1250 B9R0.2 CC(=O)CNCCCC=O Amb24664343 [0,1,1,0,0,0|1,0,0]=3 1251 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [0,1,1,0,0,0|1,0,0]=3 1252 B9R0.2 CC(=O)NCCCNC=O Amb28197455 [0,1,1,0,0,0|2,0,0]=4 1253 B9R0.2 CC(=O)OCCCCC=O Amb26505388 [0,1,1,0,0,0|1,0,0]=3 1254 B9R0.2 CC(=O)SCCCCC=O Amb27432569 [0,1,1,0,0,0|1,0,0]=3 1255 B9R0.2 CC(C)=CCCCCC=O Amb18643636 [0,1,1,0,0,0|2,0,0]=4 1256 B9R0.2 CCCCCCCC(=O)O Amb3940371 [0,1,1,0,0,0|1,0,1]=4 1257 B9R0.2 CCCCCOCC(=O)O Amb8902706 [0,1,1,0,0,0|1,0,1]=4 1258 B9R0.2 CCCCCSCC(=O)O Amb6249571 [0,1,1,0,0,0|1,0,1]=4 1259 B9R0.2 CCCCNCCC(=O)O Amb7755713 [0,1,1,0,0,0|1,0,1]=4 1260 B9R0.2 CCCCSCCC(=O)O Amb1032992 [0,1,1,0,0,0|1,0,1]=4 1261 B9R0.2 CCCNCCCC(=O)O Amb1109953 [0,1,1,0,0,0|1,0,1]=4 1262 B9R0.2 CCCOCCCC(=O)O Amb8874517 [0,1,1,0,0,0|1,0,1]=4 1263 B9R0.2 CCCSCCCC(=O)O Amb6680215 [0,1,1,0,0,0|1,0,1]=4 1264 B9R0.2 CCNCCCCC(=O)O Amb24385094 [0,1,1,0,0,0|1,0,1]=4 1265 B9R0.2 CCNCCCCC(=O)O Amb32686610 [0,1,1,0,0,0|1,0,1]=4 1266 B9R0.2 CCOCCCCC(=O)O Amb9207786 [0,1,1,0,0,0|1,0,1]=4 1267 B9R0.2 CCSCCCCC(=O)O Amb7782874 [0,1,1,0,0,0|1,0,1]=4 1268 B9R0.2 CNCCOCCC(=O)O Amb18111840 [0,1,1,0,0,0|2,0,0]=4 1269 B9R0.2 CNCCSCCC(=O)O Amb27442544 [0,1,1,0,0,0|2,0,0]=4 1270 B9R0.2 COCCCCCC(=O)O Amb10607872 [0,1,1,0,0,0|0,0,2]=4 1271 B9R0.2 COCCCOCC(=O)O Amb25304314 [0,1,1,0,0,0|2,0,0]=4 1272 B9R0.2 COCCNCCC(=O)O Amb33527038 [0,1,1,0,0,0|2,0,0]=4 1273 B9R0.2 COCCNCCC(=O)O Amb7755691 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.2 COCCOCCC(=O)O Amb6268336 [0,1,1,0,0,0|2,0,0]=4 1275 B9R0.2 CS(=O)CCCCNC=O Amb27668912 [0,1,1,0,0,0|2,0,0]=4 1276 B9R0.2 CSCCCCCC(=O)O Amb27444761 [0,1,1,0,0,0|0,1,1]=4 1277 B9R0.2 CSCCCNCC(=O)O Amb8827601 [0,1,1,0,0,0|2,0,0]=4 1278 B9R0.2 CSCCCOCC(=O)O Amb28042679 [0,1,1,0,0,0|2,0,0]=4 1279 B9R0.2 CSCCNCCC(=O)O Amb25055507 [0,1,1,0,0,0|2,0,0]=4 1280 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [0,1,1,0,0,0|1,0,1]=4 1281 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [0,1,1,0,0,0|1,0,0]=3 1282 B9R0.2 C\C=C\CCCCC(C)=O Amb25252247 [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.2 C\C=C\CCOCC(=O)O Amb28340908 [0,1,1,0,0,0|1,0,1]=4 1284 B9R0.2 N#CCCCCCC(=O)O Amb18643705 [0,1,1,0,0,0|1,0,1]=4 1285 B9R0.2 N#CCCCSCC(=O)O Amb1109771 [0,1,1,0,0,0|1,0,1]=4 1286 B9R0.2 N#CCCNCCC(=O)O Amb17315318 [0,1,1,0,0,0|1,0,1]=4 1287 B9R0.2 N#CCCSCCC(=O)O Amb18927741 [0,1,1,0,0,0|1,0,1]=4 1288 B9R0.2 N#CCSCCCC(=O)O Amb17501766 [0,1,1,0,0,0|1,0,1]=4 1289 B9R0.2 NC(=O)CCCCNC=O Amb27232578 [0,1,1,0,0,0|1,0,0]=3 1290 B9R0.2 NCCCCCCC(=O)O Amb1151254 [0,1,1,0,0,0|1,0,1]=4 1291 B9R0.2 NCCCCCCC(=O)O Amb16232099 [0,1,1,0,0,0|1,0,1]=4 1292 B9R0.2 NCCCCNCC(=O)O Amb27800960 [0,1,1,0,0,0|1,0,1]=4 1293 B9R0.2 NCCCCSCC(=O)O Amb17500919 [0,1,1,0,0,0|1,0,1]=4 1294 B9R0.2 NCCCNCCC(=O)O Amb27959846 [0,1,1,0,0,0|1,0,1]=4 1295 B9R0.2 NCCCOCCC(=O)O Amb18111494 [0,1,1,0,0,0|1,0,1]=4 1296 B9R0.2 NCCCSCCC(=O)O Amb24496605 [0,1,1,0,0,0|1,0,1]=4 1297 B9R0.2 NCCOCCCC(=O)O Amb18111467 [0,1,1,0,0,0|1,0,1]=4 1298 B9R0.2 NCCSCCCC(=O)O Amb17500468 [0,1,1,0,0,0|1,0,1]=4 1299 B9R0.2 NOCCCCCC(=O)O Amb32708458 [0,1,1,0,0,0|0,0,2]=4 1300 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [0,1,1,0,0,0|1,0,1]=4 1301 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [0,1,1,0,0,0|1,0,1]=4 1302 B9R0.2 O=C(O)CCCCCCF Amb25132501 [0,1,1,0,0,0|1,0,1]=4 1303 B9R0.2 O=C(O)CCCCCCO Amb9787028 [0,1,1,0,0,0|0,0,2]=4 1304 B9R0.2 O=C(O)CCCCCCS Amb24710334 [0,1,1,0,0,0|0,1,1]=4 1305 B9R0.2 O=C(O)CCCCCNBr Amb28054088 [0,1,1,0,0,0|1,0,1]=4 1306 B9R0.2 O=C(O)CCCCN=C=S Amb25685363 [0,1,1,0,0,0|0,1,1]=4 1307 B9R0.2 O=C(O)CCCC\C=C\Br Amb26542054 [0,1,1,0,0,0|1,0,0]=3 1308 B9R0.2 O=C(O)CCCNCCO Amb9333522 [0,1,1,0,0,0|0,0,2]=4 1309 B9R0.2 O=C(O)CCCOCCO Amb6680919 [0,1,1,0,0,0|0,0,2]=4 1310 B9R0.2 O=C(O)CCCSCCF Amb27614997 [0,1,1,0,0,0|1,0,1]=4 1311 B9R0.2 O=C(O)CCCSCCO Amb9481728 [0,1,1,0,0,0|0,0,2]=4 1312 B9R0.2 O=C(O)CCC\C=C/CO Amb27425001 [0,1,1,0,0,0|0,0,2]=4 1313 B9R0.2 O=C(O)CCNCCCF Amb28049536 [0,1,1,0,0,0|1,0,1]=4 1314 B9R0.2 O=C(O)CCNCCCO Amb9239888 [0,1,1,0,0,0|0,0,2]=4 1315 B9R0.2 O=C(O)CCNC\C=C\Cl Amb9326418 [0,1,1,0,0,0|1,0,1]=4 1316 B9R0.2 O=C(O)CCOCCCO Amb24476864 [0,1,1,0,0,0|0,0,2]=4 1317 B9R0.2 O=C(O)CCSCCCCl Amb26421708 [0,1,1,0,0,0|1,0,1]=4 1318 B9R0.2 O=C(O)CCSCCCF Amb27251653 [0,1,1,0,0,0|1,0,1]=4 1319 B9R0.2 O=C(O)CNCCCCO Amb28063278 [0,1,1,0,0,0|0,0,2]=4 1320 B9R0.2 O=C(O)COCCCCF Amb27770553 [0,1,1,0,0,0|1,0,1]=4 1321 B9R0.2 O=C(O)COCCCCO Amb27465121 [0,1,1,0,0,0|0,0,2]=4 1322 B9R0.2 O=C(O)CSCCCCCl Amb27165750 [0,1,1,0,0,0|1,0,1]=4 1323 B9R0.2 O=C(O)CSCCCCF Amb28062594 [0,1,1,0,0,0|1,0,1]=4 1324 B9R0.2 O=C=NCCCCC(=O)O Amb24505309 [0,1,1,0,0,0|0,0,1]=3 1325 B9R0.2 O=C=NCCOCC(=O)O Amb33471387 [0,1,1,0,0,0|1,0,1]=4 1326 B9R0.2 O=C=NCCSCC(=O)O Amb33471480 [0,1,1,0,0,0|1,0,1]=4 1327 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [0,1,1,0,0,0|0,0,0]=2 1328 B9R0.2 O=CNCCSCC(=O)O Amb28399802 [0,1,1,0,0,0|1,0,0]=3 1329 B9R0.2 O=COC\C=C\CC(=O)O Amb27619648 [0,1,1,0,0,0|0,0,2]=4 1330 B9R0.2 [N-]=[N+]=NCCCCC(=O)O Amb19516609 [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.38 CC(C)(O)CCCCC=O Amb28049929 [0,1,1,0,0,0|1,0,1]=4 1332 B9R0.38 O=CCCCCS(=O)(=O)[O-] Amb27226993 [0,1,1,0,0,0|1,0,1]=4 1333 B9R0.46 C#CCCCCC(=O)NO Amb28049733 [0,1,1,0,0,0|1,0,1]=4 1334 B9R0.46 C#CCCCCC(=O)OC Amb18636156 [0,1,1,0,0,0|1,0,1]=4 1335 B9R0.46 C=C(C=O)CCCCC=O Amb28049873 [0,1,1,0,0,0|1,0,0]=3 1336 B9R0.46 C=CCCCCC(=C)C=O Amb27622105 [0,1,1,0,0,0|2,0,0]=4 1337 B9R0.46 C=CCCCCC(=O)OC Amb27617093 [0,1,1,0,0,0|1,0,0]=3 1338 B9R0.46 C=CCCCOC(=O)CO Amb27765648 [0,1,1,0,0,0|2,0,0]=4 1339 B9R0.46 C=CCCOCC(=O)NO Amb27617516 [0,1,1,0,0,0|2,0,0]=4 1340 B9R0.46 C=CCNCCC(=O)OC Amb33550492 [0,1,1,0,0,0|2,0,0]=4 1341 B9R0.46 C=CCOCCC(=O)OC Amb9208692 [0,1,1,0,0,0|2,0,0]=4 1342 B9R0.46 C=CCSCCC(=O)OC Amb27875920 [0,1,1,0,0,0|2,0,0]=4 1343 B9R0.46 CC(C=O)CCCCC=O Amb27614225 [0,1,1,0,0,0|1,0,1]=4 1344 B9R0.46 CCCCCCC(=O)CO Amb28254622 [0,1,1,0,0,0|1,0,1]=4 1345 B9R0.46 CCCCCCC(=O)NO Amb25146254 [0,1,1,0,0,0|1,0,1]=4 1346 B9R0.46 CCCCCCC(=O)OC Amb9787230 [0,1,1,0,0,0|1,0,1]=4 1347 B9R0.46 CNC(=O)CCCCC=O Amb25339730 [0,1,1,0,0,0|1,0,0]=3 1348 B9R0.46 CNC(=O)CCCNC=O Amb27959411 [0,1,1,0,0,0|2,0,0]=4 1349 B9R0.46 CNC(=O)CSCCC=O Amb27602014 [0,1,1,0,0,0|2,0,0]=4 1350 B9R0.46 CNCCCCC(=O)OC Amb25725637 [0,1,1,0,0,0|2,0,0]=4 1351 B9R0.46 CNCCCCC(=O)OC Amb32676714 [0,1,1,0,0,0|2,0,0]=4 1352 B9R0.46 COC(=O)CCCCC=O Amb16233585 [0,1,1,0,0,0|0,0,0]=2 1353 B9R0.46 COC(=O)CCCCCBr Amb4017062 [0,1,1,0,0,0|1,0,1]=4 1354 B9R0.46 COC(=O)CCCCCCl Amb25703167 [0,1,1,0,0,0|1,0,1]=4 1355 B9R0.46 COC(=O)CCCCCN Amb1152885 [0,1,1,0,0,0|1,0,1]=4 1356 B9R0.46 COC(=O)CCCCCN Amb1935045 [0,1,1,0,0,0|1,0,1]=4 1357 B9R0.46 COC(=O)CCCCCO Amb22002577 [0,1,1,0,0,0|0,0,2]=4 1358 B9R0.46 COC(=O)CCCCCS Amb25934957 [0,1,1,0,0,0|0,1,1]=4 1359 B9R0.46 COC(=O)CCCN=C=O Amb2688917 [0,1,1,0,0,0|1,0,1]=4 1360 B9R0.46 COC(=O)CCCNC=O Amb27615072 [0,1,1,0,0,0|1,0,0]=3 1361 B9R0.46 COC(=O)CCC\C=C/Cl Amb28076519 [0,1,1,0,0,0|1,0,1]=4 1362 B9R0.46 COCCCCC(=O)CO Amb28254576 [0,1,1,0,0,0|2,0,0]=4 1363 B9R0.46 NCCCCCC(=O)NO Amb32432421 [0,1,1,0,0,0|1,0,1]=4 1364 B9R0.46 O=CCCCOC(=O)CBr Amb27841814 [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.46 O=CCCCOC(=O)CCl Amb28072931 [0,1,1,0,0,0|2,0,0]=4 1366 B9R0.46 [C-]#[N+]CCCCC(=O)OC Amb2688987 [0,1,1,0,0,0|2,0,0]=4 1367 B9R0.47 C#CCCCC(N)C(=O)O Amb27947457 [0,1,1,0,0,0|1,0,1]=4 1368 B9R0.47 C#CCCCC(N)C(=O)O Amb33483976 [0,1,1,0,0,0|1,0,1]=4 1369 B9R0.47 C#CCCC[C@@H](N)C(=O)O Amb24077358 [0,1,1,0,0,0|1,0,1]=4 1370 B9R0.47 C#CCCC[C@H](N)C(=O)O Amb24088878 [0,1,1,0,0,0|1,0,1]=4 1371 B9R0.47 C=CCCCC(C)C(C)=O Amb27839019 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [0,1,1,0,0,0|1,0,0]=3 1373 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [0,1,1,0,0,0|1,0,0]=3 1374 B9R0.47 C=CCCCC(N)C(N)=O Amb25988690 [0,1,1,0,0,0|2,0,0]=4 1375 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [0,1,1,0,0,0|1,0,0]=3 1376 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [0,1,1,0,0,0|1,0,0]=3 1377 B9R0.47 C=CCCC[C@@H](O)C(C)=O Amb27453672 [0,1,1,0,0,0|2,0,0]=4 1378 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [0,1,1,0,0,0|1,0,0]=3 1379 B9R0.47 C=CCCOC(C)C(=O)O Amb9208711 [0,1,1,0,0,0|2,0,0]=4 1380 B9R0.47 C=CCCO[C@@H](C)C(=O)O Amb27254188 [0,1,1,0,0,0|2,0,0]=4 1381 B9R0.47 C=CCCO[C@H](C)C(=O)O Amb27976475 [0,1,1,0,0,0|2,0,0]=4 1382 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [0,1,1,0,0,0|2,0,0]=4 1383 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [0,1,1,0,0,0|2,0,0]=4 1384 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [0,1,1,0,0,0|2,0,0]=4 1385 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [0,1,1,0,0,0|2,0,0]=4 1386 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [0,1,1,0,0,0|2,0,0]=4 1387 B9R0.47 C=CCSCC(C)C(=O)O Amb27813038 [0,1,1,0,0,0|2,0,0]=4 1388 B9R0.47 C=CCSCC(Cl)C(=O)O Amb27635176 [0,1,1,0,0,0|2,0,0]=4 1389 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [0,1,1,0,0,0|2,0,0]=4 1390 B9R0.47 C=CCSCC(O)C(=O)O Amb27639084 [0,1,1,0,0,0|2,0,0]=4 1391 B9R0.47 C=CCSC[C@@H](C)C(=O)O Amb27955284 [0,1,1,0,0,0|2,0,0]=4 1392 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [0,1,1,0,0,0|2,0,0]=4 1393 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [0,1,1,0,0,0|2,0,0]=4 1394 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [0,1,1,0,0,0|2,0,0]=4 1395 B9R0.47 CC(CCCCBr)C(=O)O Amb27790626 [0,1,1,0,0,0|1,0,1]=4 1396 B9R0.47 CC(CCCCF)C(=O)O Amb24370978 [0,1,1,0,0,0|1,0,1]=4 1397 B9R0.47 CC(CCCCN)C(=O)O Amb31031269 [0,1,1,0,0,0|1,0,1]=4 1398 B9R0.47 CC(CCCCO)C(=O)O Amb28040862 [0,1,1,0,0,0|0,0,2]=4 1399 B9R0.47 CC(CCN=C=O)C(=O)O Amb33471413 [0,1,1,0,0,0|1,0,1]=4 1400 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [0,1,1,0,0,0|1,0,0]=3 1401 B9R0.47 CCCCCC(Br)C(=O)O Amb18130346 [0,1,1,0,0,0|1,0,1]=4 1402 B9R0.47 CCCCCC(F)C(=O)O Amb17593693 [0,1,1,0,0,0|1,0,1]=4 1403 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [0,1,1,0,0,0|1,0,1]=4 1404 B9R0.47 CCCCCC(O)C(=O)O Amb17778103 [0,1,1,0,0,0|1,0,1]=4 1405 B9R0.47 CCCCCC(S)C(=O)O Amb27657706 [0,1,1,0,0,0|1,0,1]=4 1406 B9R0.47 CCCCC[C@@H](Br)C(=O)O Amb27234856 [0,1,1,0,0,0|1,0,1]=4 1407 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [0,1,1,0,0,0|1,0,1]=4 1408 B9R0.47 CCCCC[C@@H](O)C(=O)O Amb28050131 [0,1,1,0,0,0|1,0,1]=4 1409 B9R0.47 CCCCC[C@H](Br)C(=O)O Amb28287684 [0,1,1,0,0,0|1,0,1]=4 1410 B9R0.47 CCCCC[C@H](C)C(=O)O Amb10844510 [0,1,1,0,0,0|1,0,1]=4 1411 B9R0.47 CCCCC[C@H](F)C(=O)O Amb27784296 [0,1,1,0,0,0|1,0,1]=4 1412 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [0,1,1,0,0,0|1,0,1]=4 1413 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.47 COCCCC(C)C(=O)O Amb26653888 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.47 COCCCC(O)C(=O)O Amb28050541 [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.47 CSCCCC(C)C(=O)O Amb25888073 [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [0,1,1,0,0,0|2,0,0]=4 1422 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [0,1,1,0,0,0|2,0,0]=4 1423 B9R0.47 CSCCCC(O)C(=O)O Amb25169340 [0,1,1,0,0,0|2,0,0]=4 1424 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [0,1,1,0,0,0|2,0,0]=4 1425 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [0,1,1,0,0,0|2,0,0]=4 1426 B9R0.47 C[C@@H](CCCCBr)C(=O)O Amb27794794 [0,1,1,0,0,0|1,0,1]=4 1427 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [0,1,1,0,0,0|1,0,1]=4 1428 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [0,1,1,0,0,0|1,0,1]=4 1429 B9R0.47 N#CCCCC(Cl)C(=O)O Amb17594023 [0,1,1,0,0,0|1,0,1]=4 1430 B9R0.47 N#CCCCC(N)C(=O)O Amb25242567 [0,1,1,0,0,0|1,0,1]=4 1431 B9R0.47 N#CCCC[C@@H](N)C(=O)O Amb28349132 [0,1,1,0,0,0|1,0,1]=4 1432 B9R0.47 N#CCCC[C@H](N)C(=O)O Amb26043277 [0,1,1,0,0,0|1,0,1]=4 1433 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [0,1,1,0,0,0|1,0,1]=4 1434 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [0,1,1,0,0,0|0,0,2]=4 1435 B9R0.47 NC(CCSN=O)C(=O)O Amb26516416 [0,1,1,0,0,0|2,0,0]=4 1436 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [0,1,1,0,0,0|1,0,1]=4 1437 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [0,1,1,0,0,0|1,0,1]=4 1438 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [0,1,1,0,0,0|1,0,1]=4 1439 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [0,1,1,0,0,0|1,0,1]=4 1440 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [0,1,1,0,0,0|1,0,1]=4 1441 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [0,1,1,0,0,0|1,0,1]=4 1442 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [0,1,1,0,0,0|1,0,1]=4 1443 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [0,1,1,0,0,0|1,0,1]=4 1444 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [0,1,1,0,0,0|1,0,1]=4 1445 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [0,1,1,0,0,0|1,0,1]=4 1446 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [0,1,1,0,0,0|1,0,1]=4 1447 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [0,1,1,0,0,0|1,0,1]=4 1448 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [0,1,1,0,0,0|1,0,1]=4 1449 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [0,1,1,0,0,0|1,0,1]=4 1450 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [0,1,1,0,0,0|1,0,1]=4 1451 B9R0.47 NOCCCC(N)C(=O)O Amb24117962 [0,1,1,0,0,0|2,0,0]=4 1452 B9R0.47 NOCCCC(N)C(=O)O Amb27222313 [0,1,1,0,0,0|2,0,0]=4 1453 B9R0.47 NOCCC[C@H](N)C(=O)O Amb28397870 [0,1,1,0,0,0|2,0,0]=4 1454 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [0,1,1,0,0,0|0,0,0]=2 1455 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [0,1,1,0,0,0|1,0,1]=4 1456 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [0,1,1,0,0,0|1,0,1]=4 1457 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [0,1,1,0,0,0|1,0,1]=4 1458 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [0,1,1,0,0,0|0,0,2]=4 1459 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [0,1,1,0,0,0|0,1,1]=4 1460 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [0,1,1,0,0,0|1,0,1]=4 1461 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [0,1,1,0,0,0|1,0,1]=4 1462 B9R0.47 N[C@@H](CCSN=O)C(=O)O Amb24665147 [0,1,1,0,0,0|2,0,0]=4 1463 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [0,1,1,0,0,0|0,0,0]=2 1464 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [0,1,1,0,0,0|1,0,1]=4 1465 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [0,1,1,0,0,0|0,0,2]=4 1466 B9R0.47 O=C(O)C(Cl)CC\C=C\Cl Amb27984937 [0,1,1,0,0,0|1,0,1]=4 1467 B9R0.47 O=C(O)C(O)CCCCO Amb18644356 [0,1,1,0,0,0|0,0,2]=4 1468 B9R0.47 O=CCSCC(=O)C(=O)O Amb33069914 [0,1,1,0,0,0|1,0,1]=4 1469 B9R0.55 C=C(Br)CCCCC(N)=O Amb27449194 [0,1,1,0,0,0|2,0,0]=4 1470 B9R0.55 C=C(C)COCCC(=O)O Amb27882463 [0,1,1,0,0,0|2,0,0]=4 1471 B9R0.55 C=C(Cl)CNCCC(=O)O Amb9326413 [0,1,1,0,0,0|2,0,0]=4 1472 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [0,1,1,0,0,0|1,0,0]=3 1473 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [0,1,1,0,0,0|0,0,0]=2 1474 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [0,1,1,0,0,0|1,0,0]=3 1475 B9R0.55 CC(=O)CCCCC(C)O Amb27838002 [0,1,1,0,0,0|1,0,1]=4 1476 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [0,1,1,0,0,0|2,0,0]=4 1477 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [0,1,1,0,0,0|2,0,0]=4 1478 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [0,1,1,0,0,0|2,0,0]=4 1479 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [0,1,1,0,0,0|1,0,0]=3 1480 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [0,1,1,0,0,0|1,0,0]=3 1481 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [0,1,1,0,0,0|1,0,0]=3 1482 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,1,1,0,0,0|0,0,2]=4 1483 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [0,1,1,0,0,0|1,0,0]=3 1484 B9R0.55 CC(=O)NOCCC(=O)O Amb27252126 [0,1,1,0,0,0|2,0,0]=4 1485 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [0,1,1,0,0,0|1,0,0]=3 1486 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [0,1,1,0,0,0|1,0,0]=3 1487 B9R0.55 CC(C)CCCCC(=O)O Amb10576144 [0,1,1,0,0,0|1,0,1]=4 1488 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [0,1,1,0,0,0|1,0,1]=4 1489 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [0,1,1,0,0,0|1,0,1]=4 1490 B9R0.55 CN(C)CCCCC(=O)O Amb19275569 [0,1,1,0,0,0|2,0,0]=4 1491 B9R0.55 CN(C)CCCCC(=O)O Amb7783201 [0,1,1,0,0,0|2,0,0]=4 1492 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [0,1,1,0,0,0|1,0,0]=3 1493 B9R0.55 CS(=O)CCSCC(=O)O Amb27236300 [0,1,1,0,0,0|2,0,0]=4 1494 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [0,1,1,0,0,0|1,0,1]=4 1495 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [0,1,1,0,0,0|1,0,1]=4 1496 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [0,1,1,0,0,0|2,0,0]=4 1497 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [0,1,1,0,0,0|0,0,0]=2 1498 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [0,1,1,0,0,0|1,0,0]=3 1499 B9R0.55 NC(=O)CONCC(=O)O Amb27215866 [0,1,1,0,0,0|2,0,0]=4 1500 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [0,1,1,0,0,0|1,0,0]=3 1501 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [0,1,1,0,0,0|1,0,0]=3 1502 B9R0.55 NC(=O)NCNCC(=O)O Amb27446531 [0,1,1,0,0,0|2,0,0]=4 1503 B9R0.55 NC(=S)NCCCC(=O)O Amb27649643 [0,1,1,0,0,0|1,1,0]=4 1504 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [0,1,1,0,0,0|1,0,0]=3 1505 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [0,1,1,0,0,0|0,0,2]=4 1506 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [0,1,1,0,0,0|1,0,1]=4 1507 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [0,1,1,0,0,0|0,0,0]=2 1508 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [0,1,1,0,0,0|0,0,0]=2 1509 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [0,1,1,0,0,0|0,0,0]=2 1510 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [0,1,1,0,0,0|0,0,0]=2 1511 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [0,1,1,0,0,0|0,0,2]=4 1512 B9R0.55 O=C(O)CCCCN(F)F Amb27985922 [0,1,1,0,0,0|2,0,0]=4 1513 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [0,1,1,0,0,0|1,0,0]=3 1514 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [0,1,1,0,0,0|2,0,0]=4 1516 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [0,1,1,0,0,0|0,0,2]=4 1517 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [0,1,1,0,0,0|2,0,0]=4 1518 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [0,1,1,0,0,0|2,0,0]=4 1519 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [0,1,1,0,0,0|0,0,2]=4 1520 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [0,1,1,0,0,0|0,0,1]=3 1521 B9R0.22 CCC(=O)CS(=O)(=O)CC Amb27973531 [0,1,1,0,0,0|2,0,0]=4 1522 B9R0.22 CCC(=O)NS(=O)(=O)CC Amb28281664 [0,1,1,0,0,0|2,0,0]=4 1523 B9R0.22 CCC(=O)OC(C)(C)CC Amb27946417 [0,1,1,0,0,0|1,0,1]=4 1524 B9R0.26 C=C(\C=C(/C=O)CC)CC Amb26958687 [0,1,1,0,0,0|2,0,0]=4 1525 B9R0.26 CCC(=O)C=C(CC)CC Amb27823177 [0,1,1,0,0,0|2,0,0]=4 1526 B9R0.26 CCC(=O)OC(CC)CC Amb27826277 [0,1,1,0,0,0|1,0,1]=4 1527 B9R0.26 CC\C(C=O)=C\C(=O)OC Amb18643837 [0,1,1,0,0,0|2,0,0]=4 1528 B9R0.27 CCC(=O)C(=O)C(=O)CC Amb27854652 [0,1,1,0,0,0|1,0,0]=3 1529 B9R0.27 CCC(=O)C(C)C(=O)CC Amb27255474 [0,1,1,0,0,0|1,0,0]=3 1530 B9R0.27 CCC(=O)C(C)C(=O)NC Amb28313253 [0,1,1,0,0,0|2,0,0]=4 1531 B9R0.27 CCC(=O)C(C)C(=O)OC Amb3989246 [0,1,1,0,0,0|2,0,0]=4 1532 B9R0.27 CCC(=O)C(C)C(=O)SC Amb28322019 [0,1,1,0,0,0|2,0,0]=4 1533 B9R0.27 CCC(=O)C(Cl)C(=O)OC Amb18368799 [0,1,1,0,0,0|2,0,0]=4 1534 B9R0.27 CCC(=O)C(F)C(=O)OC Amb8389411 [0,1,1,0,0,0|2,0,0]=4 1535 B9R0.42 C=C(CC)CC(=O)C(C)N Amb28058186 [0,1,1,0,0,0|2,0,0]=4 1536 B9R0.42 CC(C)C(=O)NC(=O)CCl Amb1107207 [0,1,1,0,0,0|2,0,0]=4 1537 B9R0.42 CC(N)C(=O)NC(=O)CN Amb30666650 [0,1,1,0,0,0|2,0,0]=4 1538 B9R0.42 CC(O)C(=O)OC(=O)CO Amb27197247 [0,1,1,0,0,0|1,0,0]=3 1539 B9R0.42 CCC(=O)CC(=O)C(C)=O Amb25110491 [0,1,1,0,0,0|1,0,1]=4 1540 B9R0.42 CCC(=O)CC(=O)C(C)C Amb9775083 [0,1,1,0,0,0|1,0,0]=3 1541 B9R0.42 CCC(=O)CC(=O)C(Cl)Cl Amb27772448 [0,1,1,0,0,0|2,0,0]=4 1542 B9R0.42 CCC(=O)CC(=O)C(F)F Amb9775066 [0,1,1,0,0,0|2,0,0]=4 1543 B9R0.42 CCC(=O)CS(=O)C(C)C Amb27838993 [0,1,1,0,0,0|2,0,0]=4 1544 B9R0.42 CCC(=O)NC(=O)C(C)C Amb27797221 [0,1,1,0,0,0|1,0,0]=3 1545 B9R0.42 CCC(=O)OC(=O)C(C)C Amb15692551 [0,1,1,0,0,0|0,0,0]=2 1546 B9R0.42 CCC(=O)OC(Br)C(C)C Amb28344177 [0,1,1,0,0,0|1,0,1]=4 1547 B9R0.42 CCC(=O)OC(Cl)C(C)C Amb8393725 [0,1,1,0,0,0|1,0,1]=4 1548 B9R0.42 CCC(=O)OC(N)C(C)C Amb28240454 [0,1,1,0,0,0|1,0,1]=4 1549 B9R0.42 CCC(C)OC(=O)C(C)Br Amb18090827 [0,1,1,0,0,0|1,0,1]=4 1550 B9R0.42 CCC(C)OC(=O)C(C)C Amb26344327 [0,1,1,0,0,0|1,0,1]=4 1551 B9R0.42 CCC(C)OC(=O)C(C)Cl Amb27845467 [0,1,1,0,0,0|1,0,1]=4 1552 B9R0.42 CCC(C)OC(=O)C(C)O Amb24672514 [0,1,1,0,0,0|1,0,1]=4 1553 B9R0.42 CCC(C)OC(=O)[C@@H](C)N Amb26875111 [0,1,1,0,0,0|1,0,1]=4 1554 B9R0.42 CCC(C)OC(=O)[C@H](C)N Amb27185682 [0,1,1,0,0,0|1,0,1]=4 1555 B9R0.42 CCC(C)OC(=O)[C@H](C)O Amb27833305 [0,1,1,0,0,0|1,0,1]=4 1556 B9R0.42 CCC(O)OC(=O)C(C)C Amb28206089 [0,1,1,0,0,0|0,0,2]=4 1557 B9R0.42 CC\C(S)=C\C(=O)C(C)C Amb27433805 [0,1,1,0,0,0|1,1,0]=4 1558 B9R0.42 CNC(=O)NC(=O)C(C)Cl Amb379544 [0,1,1,0,0,0|2,0,0]=4 1559 B9R0.42 CNC(=O)NC(=O)C(C)I Amb27761929 [0,1,1,0,0,0|2,0,0]=4 1560 B9R0.42 CNC(=O)NC(=O)C(C)O Amb9421399 [0,1,1,0,0,0|2,0,0]=4 1561 B9R0.42 COC(=O)CC(=O)C(C)Br Amb19888842 [0,1,1,0,0,0|2,0,0]=4 1562 B9R0.42 COC(=O)CC(=O)C(C)C Amb2689576 [0,1,1,0,0,0|2,0,0]=4 1563 B9R0.42 COC(=O)CC(=O)C(C)Cl Amb27592185 [0,1,1,0,0,0|2,0,0]=4 1564 B9R0.42 COC(=O)CC(=O)C(C)F Amb24589068 [0,1,1,0,0,0|2,0,0]=4 1565 B9R0.42 COC(=O)CC(=O)C(C)O Amb27827292 [0,1,1,0,0,0|2,0,0]=4 1566 B9R0.42 COC(=O)NC(=O)C(C)Cl Amb444963 [0,1,1,0,0,0|2,0,0]=4 1567 B9R1.5 CC1C=CCCCC1=O Amb27600759 [1,1,0,0,0,0|1,0,1]=4 1568 B9R1.5 CC1CCCC=CC1=O Amb27838624 [1,1,0,0,0,0|1,0,0]=3 1569 B9R1.5 CC1CCCCCC1=O Amb26348270 [1,1,0,0,0,0|1,0,1]=4 1570 B9R1.5 CC1SCCCCC1=O Amb28048147 [1,1,0,0,0,0|2,0,0]=4 1571 B9R1.5 CN1CCCCCC1=O Amb2779825 [1,1,0,0,0,0|1,0,1]=4 1572 B9R1.5 C[C@@H]1CCCCNC1=O Amb28072473 [1,1,0,0,0,0|1,0,1]=4 1573 B9R1.5 NC1CCCCCC1=O Amb18276126 [1,1,0,0,0,0|1,0,1]=4 1574 B9R1.5 NC1CCCCCC1=O Amb28934932 [1,1,0,0,0,0|1,0,1]=4 1575 B9R1.5 NC1CCCCNC1=O Amb19958477 [1,1,0,0,0,0|1,0,1]=4 1576 B9R1.5 NC1CCCCNC1=O Amb9721937 [1,1,0,0,0,0|1,0,1]=4 1577 B9R1.5 NN1CCCCCC1=O Amb22495331 [1,1,0,0,0,0|1,0,1]=4 1578 B9R1.5 N[C@@H]1CCCCNC1=O Amb10608775 [1,1,0,0,0,0|1,0,1]=4 1579 B9R1.5 N[C@@H]1CCCCNC1=O Amb20670688 [1,1,0,0,0,0|1,0,1]=4 1580 B9R1.5 N[C@H]1CCCCNC1=O Amb19929579 [1,1,0,0,0,0|1,0,1]=4 1581 B9R1.5 N[C@H]1CCCCNC1=O Amb532926 [1,1,0,0,0,0|1,0,1]=4 1582 B9R1.5 O=C1C=CCCCC1O Amb27838742 [1,1,0,0,0,0|1,0,0]=3 1583 B9R1.5 O=C1CCCCC=C1Br Amb27482990 [1,1,0,0,0,0|1,0,0]=3 1584 B9R1.5 O=C1CCCCC=C1F Amb27835100 [1,1,0,0,0,0|1,0,0]=3 1585 B9R1.5 O=C1CCCCCC1=O Amb17593310 [1,1,0,0,0,0|1,0,1]=4 1586 B9R1.5 O=C1CCCCCC1Br Amb18325296 [1,1,0,0,0,0|1,0,1]=4 1587 B9R1.5 O=C1CCCCCC1Cl Amb6892055 [1,1,0,0,0,0|1,0,1]=4 1588 B9R1.5 O=C1CCCCCC1F Amb21965071 [1,1,0,0,0,0|1,0,1]=4 1589 B9R1.5 O=C1CCCCCC1O Amb25284997 [1,1,0,0,0,0|1,0,1]=4 1590 B9R1.5 O=C1CCCCCC1S Amb28199868 [1,1,0,0,0,0|1,0,1]=4 1591 B9R1.5 O=C1CCCCCN1Br Amb9786551 [1,1,0,0,0,0|1,0,1]=4 1592 B9R1.5 O=C1CCCCCN1Cl Amb10572732 [1,1,0,0,0,0|1,0,1]=4 1593 B9R1.5 O=C1CCCCOC1=O Amb27227093 [1,1,0,0,0,0|0,0,2]=4 1594 B9R1.5 O=C1CNCCCC1F Amb22886238 [1,1,0,0,0,0|2,0,0]=4 1595 B9R1.5 O=C1NCCCCC1Br Amb9781677 [1,1,0,0,0,0|1,0,1]=4 1596 B9R1.5 O=C1NCCCCC1Cl Amb27815034 [1,1,0,0,0,0|1,0,1]=4 1597 B9R1.5 O=C1NCCCCC1I Amb35751097 [1,1,0,0,0,0|1,0,1]=4 1598 B9R1.49 CC1=CCC(=O)CCC1 Amb27838790 [1,1,0,0,0,0|1,0,1]=4 1599 B9R1.49 CC1CC=CC(=O)CC1 Amb27838660 [1,1,0,0,0,0|1,0,0]=3 1600 B9R1.49 CC1CCCC(=O)CC1 Amb27265770 [1,1,0,0,0,0|1,0,1]=4 1601 B9R1.49 CC1CCNC(=O)CC1 Amb9316850 [1,1,0,0,0,0|1,0,1]=4 1602 B9R1.49 CC1CCOC(=O)CC1 Amb24059359 [1,1,0,0,0,0|0,0,1]=3 1603 B9R1.49 C[C@@H]1CCCC(=O)CC1 Amb26483475 [1,1,0,0,0,0|1,0,1]=4 1604 B9R1.49 C[C@@H]1CCCC(=O)NC1 Amb27814970 [1,1,0,0,0,0|1,0,1]=4 1605 B9R1.49 C[C@H]1CCCC(=O)CC1 Amb28199901 [1,1,0,0,0,0|1,0,1]=4 1606 B9R1.49 NC1CCCC(=O)NC1 Amb22230053 [1,1,0,0,0,0|1,0,1]=4 1607 B9R1.49 NC1CCCC(=O)NC1 Amb27867752 [1,1,0,0,0,0|1,0,1]=4 1608 B9R1.49 NC1CCNC(=O)CC1 Amb24689800 [1,1,0,0,0,0|1,0,1]=4 1609 B9R1.49 NC1CCNC(=O)CC1 Amb32663578 [1,1,0,0,0,0|1,0,1]=4 1610 B9R1.49 NC1CCNC(=O)CC1 Amb32663872 [1,1,0,0,0,0|1,0,1]=4 1611 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [1,1,0,0,0,0|1,0,1]=4 1612 B9R1.49 O=C1CCC(Cl)CCN1 Amb27768772 [1,1,0,0,0,0|1,0,1]=4 1613 B9R1.49 O=C1CCC(O)CCN1 Amb26443713 [1,1,0,0,0,0|1,0,1]=4 1614 B9R1.49 O=C1CCC(O)CCO1 Amb23598292 [1,1,0,0,0,0|0,0,1]=3 1615 B9R1.49 O=C1CCCC(O)CN1 Amb22491274 [1,1,0,0,0,0|1,0,1]=4 1616 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [1,1,0,0,0,0|0,0,1]=3 1617 B9R1.49 O=C1CCC[C@H](O)CC1 Amb27838657 [1,1,0,0,0,0|1,0,1]=4 1618 B9R1.49 O=C1CC[C@@H](Br)CCO1 Amb27447872 [1,1,0,0,0,0|0,0,1]=3 1619 B9R1.49 O=C1CC[C@H](Br)CCO1 Amb28458370 [1,1,0,0,0,0|0,0,1]=3 1620 B9R1.89 O=CC1=CCCCCC1 Amb9790320 [1,1,0,0,0,0|1,0,1]=4 1621 B9R1.89 O=S=C1CCCCCN1 Amb28313706 [1,1,0,0,0,0|1,0,1]=4 1622 B9R1.2 C#CC1=CC(=O)CCC1 Amb27838728 [0,1,0,0,1,0|2,0,0]=4 1623 B9R1.2 C=C1C=C(C=O)CCC1 Amb27955260 [0,1,0,0,1,0|2,0,0]=4 1624 B9R1.2 C=CC1=CC(=O)CCC1 Amb25134896 [0,1,0,0,1,0|2,0,0]=4 1625 B9R1.2 CCC1=CC(=O)CCC1 Amb27599813 [0,1,0,0,1,0|2,0,0]=4 1626 B9R1.2 CCC1CCCC(=O)O1 Amb27242548 [0,1,0,0,1,0|1,0,1]=4 1627 B9R1.2 CNC1=CC(=O)CCC1 Amb2386653 [0,1,0,0,1,0|2,0,0]=4 1628 B9R1.2 COC1=CC(=O)CCC1 Amb19930192 [0,1,0,0,1,0|1,0,1]=4 1629 B9R1.2 O=C1C=C(CCl)CCC1 Amb27882739 [0,1,0,0,1,0|2,0,0]=4 1630 B9R1.2 O=C1C=C(CO)CCC1 Amb27843949 [0,1,0,0,1,0|1,0,1]=4 1631 B9R1.2 O=C1CCCC(CBr)O1 Amb28325542 [0,1,0,0,1,0|1,0,1]=4 1632 B9R1.2 O=C1CCCC(CO)O1 Amb27980552 [0,1,0,0,1,0|0,0,2]=4 1633 B9R1.2 O=C1CCC\C(=N/O)C1 Amb27756076 [0,1,0,0,1,0|1,0,1]=4 1634 B9R1.2 O=C1CCC\C(=N/O)N1 Amb26654206 [0,1,0,0,1,0|1,0,1]=4 1635 B9R1.2 O=CN1CCCC(=O)C1 Amb27595139 [0,1,0,0,1,0|2,0,0]=4 1636 B9R1.2 [N-]=[N+]=C1CCCC(=O)C1 Amb17593275 [0,1,0,0,1,0|2,0,0]=4 1637 B9R1.3 CC1=C(C)C(=O)CCC1 Amb17593288 [0,1,0,0,1,0|2,0,0]=4 1638 B9R1.3 CC1=C(Cl)CCCC1=O Amb4036614 [0,1,0,0,1,0|2,0,0]=4 1639 B9R1.3 CC1=C(N)CCCC1=O Amb27798039 [0,1,0,0,1,0|2,0,0]=4 1640 B9R1.3 CC1=C(O)CCCC1=O Amb25147218 [0,1,0,0,1,0|1,0,1]=4 1641 B9R1.3 CC1C(=O)CCCC1=O Amb3993683 [0,1,0,0,1,0|1,0,0]=3 1642 B9R1.3 CC1C(=O)CCNC1=O Amb25220145 [0,1,0,0,1,0|2,0,0]=4 1643 B9R1.3 CC1C(=O)CSCC1=O Amb27199104 [0,1,0,0,1,0|2,0,0]=4 1644 B9R1.3 CN1C(=O)CCCC1=O Amb22757472 [0,1,0,0,1,0|1,0,0]=3 1645 B9R1.3 CN1C(=O)CCNC1=O Amb26628800 [0,1,0,0,1,0|2,0,0]=4 1646 B9R1.3 CN1C(=O)CNCC1=O Amb17334097 [0,1,0,0,1,0|2,0,0]=4 1647 B9R1.3 CN1C(=O)CNCC1=O Amb32412577 [0,1,0,0,1,0|2,0,0]=4 1648 B9R1.3 CN1C(=O)CNCC1=O Amb33249619 [0,1,0,0,1,0|2,0,0]=4 1649 B9R1.3 O=C1CCCC(=O)C1=O Amb27838803 [0,1,0,0,1,0|1,0,0]=3 1650 B9R1.3 O=C1CCCC(=O)C1Br Amb33527290 [0,1,0,0,1,0|1,0,0]=3 1651 B9R1.3 O=C1CCCC(=O)C1Cl Amb25726716 [0,1,0,0,1,0|1,0,0]=3 1652 B9R1.3 O=C1CCCC(=O)N1Br Amb4015558 [0,1,0,0,1,0|1,0,0]=3 1653 B9R1.3 O=C1CCCC(Cl)=C1Cl Amb24736273 [0,1,0,0,1,0|2,0,0]=4 1654 B9R1.3 O=C1CCCC(O)=C1Cl Amb2724553 [0,1,0,0,1,0|1,0,1]=4 1655 B9R1.3 O=C1CCCC(O)=C1F Amb27599391 [0,1,0,0,1,0|1,0,1]=4 1656 B9R1.3 O=C1CCCC(O)=C1I Amb31291506 [0,1,0,0,1,0|1,0,1]=4 1657 B9R1.34 C=C1CC(=O)NC(=O)C1 Amb27437919 [0,1,0,0,1,0|1,0,1]=4 1658 B9R1.34 CC1=CC(=O)CC(C)C1 Amb4605909 [0,1,0,0,1,0|2,0,0]=4 1659 B9R1.34 CC1=CC(=O)OC(=O)C1 Amb17673901 [0,1,0,0,1,0|0,0,2]=4 1660 B9R1.34 CC1=CC(C)CC(=O)O1 Amb27812237 [0,1,0,0,1,0|1,0,1]=4 1661 B9R1.34 CC1=CC(O)CC(=O)O1 Amb16231305 [0,1,0,0,1,0|1,0,1]=4 1662 B9R1.34 CC1CC(=O)C=C(Cl)C1 Amb7094066 [0,1,0,0,1,0|2,0,0]=4 1663 B9R1.34 CC1CC(=O)C=C(N)C1 Amb7094072 [0,1,0,0,1,0|2,0,0]=4 1664 B9R1.34 CC1CC(=O)CC(=O)C1 Amb772649 [0,1,0,0,1,0|1,0,0]=3 1665 B9R1.34 CC1CC(=O)CC(=O)N1 Amb22750293 [0,1,0,0,1,0|2,0,0]=4 1666 B9R1.34 CC1CC(=O)CC(=O)O1 Amb24422515 [0,1,0,0,1,0|2,0,0]=4 1667 B9R1.34 CC1CC(=O)NC(=O)C1 Amb17940391 [0,1,0,0,1,0|1,0,0]=3 1668 B9R1.34 CC1CC(=O)NC(=O)N1 Amb2196506 [0,1,0,0,1,0|2,0,0]=4 1669 B9R1.34 CC1CC(=O)NC(=O)S1 Amb27636402 [0,1,0,0,1,0|2,0,0]=4 1670 B9R1.34 CC1CC(=O)OC(=O)C1 Amb534202 [0,1,0,0,1,0|0,0,0]=2 1671 B9R1.34 CC1CC(=O)OC(=O)N1 Amb28285254 [0,1,0,0,1,0|1,0,0]=3 1672 B9R1.34 CC1CC(O)CC(=O)O1 Amb23455145 [0,1,0,0,1,0|1,0,1]=4 1673 B9R1.34 CN1CC(=O)CC(=O)C1 Amb22802168 [0,1,0,0,1,0|2,0,0]=4 1674 B9R1.34 CN1CC(=O)NC(=O)C1 Amb449715 [0,1,0,0,1,0|2,0,0]=4 1675 B9R1.34 CN1CC(=O)OC(=O)C1 Amb24673917 [0,1,0,0,1,0|1,0,0]=3 1676 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 Amb27168280 [0,1,0,0,1,0|2,0,0]=4 1677 B9R1.34 NC1CC(=O)NC(=O)C1 Amb30869723 [0,1,0,0,1,0|1,0,0]=3 1678 B9R1.34 NC1CC(=O)NC(=O)C1 Amb6261880 [0,1,0,0,1,0|1,0,0]=3 1679 B9R1.34 O=C1C=C(O)CC(=O)O1 Amb25689610 [0,1,0,0,1,0|0,0,2]=4 1680 B9R1.34 O=C1CC(=O)CC(O)C1 Amb27838801 [0,1,0,0,1,0|1,0,0]=3 1681 B9R1.34 O=C1CC(=O)CS(=O)C1 Amb27599003 [0,1,0,0,1,0|2,0,0]=4 1682 B9R1.34 O=C1CC(=O)NC(=O)C1 Amb18832704 [0,1,0,0,1,0|1,0,1]=4 1683 B9R1.66 CC1(C)CCCC(=O)O1 Amb25863489 [0,1,0,0,1,0|1,0,1]=4 1684 B9R1.66 C[Si]1(C)CCCC(=O)O1 Amb27845166 [0,1,0,0,1,0|1,1,0]=4 1685 B9R1.66 O=C1CCCS(=O)(=O)C1 Amb13953230 [0,1,0,0,1,0|2,0,0]=4 1686 B9R1.66 O=C1CCCS(=O)(=O)N1 Amb10070303 [0,1,0,0,1,0|2,0,0]=4 1687 B9R1.69 C=C1CCC(=O)NC1=O Amb26600967 [0,1,0,0,1,0|1,0,1]=4 1688 B9R1.69 CC1=CC(=O)C(C)CC1 Amb28323862 [0,1,0,0,1,0|2,0,0]=4 1689 B9R1.69 CC1=CC(=O)C(O)CC1 Amb27838713 [0,1,0,0,1,0|2,0,0]=4 1690 B9R1.69 CC1=CC(=O)CC[C@H]1C Amb27838729 [0,1,0,0,1,0|2,0,0]=4 1691 B9R1.69 CC1=CC(=O)[C@H](C)CC1 Amb27598775 [0,1,0,0,1,0|2,0,0]=4 1692 B9R1.69 CC1=CCC(C)C(=O)O1 Amb6600560 [0,1,0,0,1,0|1,0,1]=4 1693 B9R1.69 CC1CCC(=O)C=C1O Amb26053264 [0,1,0,0,1,0|1,0,1]=4 1694 B9R1.69 CC1CCC(=O)CC1=O Amb24053090 [0,1,0,0,1,0|1,0,0]=3 1695 B9R1.69 CC1CCC(=O)NC1=O Amb21963732 [0,1,0,0,1,0|1,0,0]=3 1696 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,1,0,0,1,0|0,0,0]=2 1697 B9R1.69 CC1CCC(O)=CC1=O Amb24532888 [0,1,0,0,1,0|1,0,1]=4 1698 B9R1.69 CC1CCC(O)C(=O)O1 Amb28285159 [0,1,0,0,1,0|1,0,1]=4 1699 B9R1.69 CC1CNC(=O)CC1=O Amb19958593 [0,1,0,0,1,0|2,0,0]=4 1700 B9R1.69 CC1CNC(=O)NC1=O Amb1152691 [0,1,0,0,1,0|2,0,0]=4 1701 B9R1.69 CC1NCC(=O)NC1=O Amb26514613 [0,1,0,0,1,0|2,0,0]=4 1702 B9R1.69 CC1OC(=O)CCC1Br Amb27875143 [0,1,0,0,1,0|1,0,1]=4 1703 B9R1.69 CC1OCC(=O)CC1=O Amb27838792 [0,1,0,0,1,0|2,0,0]=4 1704 B9R1.69 CC1OCC(=O)NC1=O Amb27866285 [0,1,0,0,1,0|2,0,0]=4 1705 B9R1.69 CC1SCC(=O)CC1=O Amb27838733 [0,1,0,0,1,0|2,0,0]=4 1706 B9R1.69 CC1SCC(=O)NC1=O Amb32670772 [0,1,0,0,1,0|2,0,0]=4 1707 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [0,1,0,0,1,0|1,0,0]=3 1708 B9R1.69 CN1CCC(=O)CC1=O Amb27154977 [0,1,0,0,1,0|2,0,0]=4 1709 B9R1.69 CN1CCC(=O)NC1=O Amb2389875 [0,1,0,0,1,0|2,0,0]=4 1710 B9R1.69 C[C@H]1CNC(=O)NC1=O Amb27655087 [0,1,0,0,1,0|2,0,0]=4 1711 B9R1.69 NC1CCC(=O)NC1=O Amb16233835 [0,1,0,0,1,0|1,0,0]=3 1712 B9R1.69 NC1CCC(=O)NC1=O Amb20620338 [0,1,0,0,1,0|1,0,0]=3 1713 B9R1.69 NC1CCC(=O)NC1=O Amb22640986 [0,1,0,0,1,0|1,0,0]=3 1714 B9R1.69 NC1CCC(=O)NC1=O Amb30982658 [0,1,0,0,1,0|1,0,0]=3 1715 B9R1.69 NC1CCC(=O)OC1=O Amb27838431 [0,1,0,0,1,0|0,0,0]=2 1716 B9R1.69 NC1CNC(=O)NC1=O Amb28429840 [0,1,0,0,1,0|2,0,0]=4 1717 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb18536900 [0,1,0,0,1,0|1,0,0]=3 1718 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb31291118 [0,1,0,0,1,0|1,0,0]=3 1719 B9R1.69 O=C1C=C(Br)C(O)CC1 Amb28049179 [0,1,0,0,1,0|2,0,0]=4 1720 B9R1.69 O=C1CCC(Br)C(=O)N1 Amb22735973 [0,1,0,0,1,0|1,0,0]=3 1721 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [0,1,0,0,1,0|0,0,0]=2 1722 B9R1.69 O=C1CCC(O)C(=O)C1 Amb27409551 [0,1,0,0,1,0|1,0,0]=3 1723 B9R1.69 O=C1CC[C@H](O)C(=O)N1 Amb27954578 [0,1,0,0,1,0|1,0,0]=3 1724 B9R1.69 O=C1NCC(Br)C(=O)N1 Amb1156185 [0,1,0,0,1,0|2,0,0]=4 1725 B9R1.69 O=C1NCC(Cl)C(=O)N1 Amb2099523 [0,1,0,0,1,0|2,0,0]=4 1726 B9R1.69 O=C1NCC(F)C(=O)N1 Amb17614408 [0,1,0,0,1,0|2,0,0]=4 1727 B9R1.69 O=C1NC[C@@H](F)C(=O)N1 Amb26889424 [0,1,0,0,1,0|2,0,0]=4 1728 B9R1.15 C=CC1=CCCCC1=O Amb27434250 [0,1,0,0,1,0|1,0,1]=4 1729 B9R1.15 C=CN1CCCCC1=O Amb3568877 [0,1,0,0,1,0|2,0,0]=4 1730 B9R1.15 CC1=C(CO)CCCC1 Amb27969811 [0,1,0,0,1,0|1,0,1]=4 1731 B9R1.15 CCC1=CCCCC1=O Amb27838623 [0,1,0,0,1,0|1,0,1]=4 1732 B9R1.15 CCC1CCCCC1=O Amb22002104 [0,1,0,0,1,0|1,0,1]=4 1733 B9R1.15 CC[C@@H]1CCCCC1=O Amb25706912 [0,1,0,0,1,0|1,0,1]=4 1734 B9R1.15 CNC1=CCCCC1=O Amb25743372 [0,1,0,0,1,0|1,0,1]=4 1735 B9R1.15 CNC1CCCCC1=O Amb28984230 [0,1,0,0,1,0|1,0,1]=4 1736 B9R1.15 CNC1CCCCC1=O Amb3644506 [0,1,0,0,1,0|1,0,1]=4 1737 B9R1.15 COC1=CCCCC1=O Amb22755964 [0,1,0,0,1,0|0,0,2]=4 1738 B9R1.15 COC1CCCCC1=O Amb4606000 [0,1,0,0,1,0|0,0,2]=4 1739 B9R1.15 CON1CCCCC1=O Amb27669022 [0,1,0,0,1,0|1,0,1]=4 1740 B9R1.15 CO[C@@H]1CCCCC1=O Amb22799901 [0,1,0,0,1,0|0,0,2]=4 1741 B9R1.15 CO[C@H]1CCCCC1=O Amb8386937 [0,1,0,0,1,0|0,0,2]=4 1742 B9R1.15 CSC1=CCCCC1=O Amb27255244 [0,1,0,0,1,0|0,1,1]=4 1743 B9R1.15 CSC1CCCCC1=O Amb19267090 [0,1,0,0,1,0|0,1,1]=4 1744 B9R1.15 C\C=C1/CCCCC1=O Amb10558348 [0,1,0,0,1,0|1,0,0]=3 1745 B9R1.15 C\C=C1\CCCCC1=O Amb24571944 [0,1,0,0,1,0|1,0,0]=3 1746 B9R1.15 C\C=C1\CNCCC1=O Amb32649111 [0,1,0,0,1,0|2,0,0]=4 1747 B9R1.15 C\C=C1\COCCC1=O Amb27750956 [0,1,0,0,1,0|2,0,0]=4 1748 B9R1.15 C\C=C1\CSCCC1=O Amb32649112 [0,1,0,0,1,0|2,0,0]=4 1749 B9R1.15 ClCC1=C(Cl)CCCC1 Amb27595204 [0,1,0,0,1,0|2,0,0]=4 1750 B9R1.15 N#CC1=C(Br)CCCC1 Amb27985365 [0,1,0,0,1,0|2,0,0]=4 1751 B9R1.15 N#CC1=C(Cl)CCCC1 Amb19337274 [0,1,0,0,1,0|2,0,0]=4 1752 B9R1.15 N#CC1=C(N)CCCC1 Amb18278062 [0,1,0,0,1,0|2,0,0]=4 1753 B9R1.15 N#CC1=C(O)CCCC1 Amb22057806 [0,1,0,0,1,0|1,0,1]=4 1754 B9R1.15 N#CC1=CCCCC1=O Amb27847881 [0,1,0,0,1,0|1,0,1]=4 1755 B9R1.15 N#CC1CCCCC1=O Amb2691377 [0,1,0,0,1,0|1,0,1]=4 1756 B9R1.15 NCC1=C(Cl)CCCC1 Amb18251295 [0,1,0,0,1,0|2,0,0]=4 1757 B9R1.15 NCC1CCCCC1=O Amb18203259 [0,1,0,0,1,0|1,0,1]=4 1758 B9R1.15 N\C=C1/CCCCC1=O Amb28054309 [0,1,0,0,1,0|1,0,0]=3 1759 B9R1.15 N\C=C1\CCCCC1=O Amb25146068 [0,1,0,0,1,0|1,0,0]=3 1760 B9R1.15 O=C1CCCC=C1CBr Amb27180223 [0,1,0,0,1,0|1,0,1]=4 1761 B9R1.15 O=C1CCCC=C1CCl Amb27424688 [0,1,0,0,1,0|1,0,1]=4 1762 B9R1.15 O=C1CCCC=C1CO Amb24453147 [0,1,0,0,1,0|0,0,2]=4 1763 B9R1.15 O=C1CCCCC1CO Amb16231080 [0,1,0,0,1,0|0,0,2]=4 1764 B9R1.15 O=C1CCCCC1CS Amb27838753 [0,1,0,0,1,0|0,1,1]=4 1765 B9R1.15 O=C1CCCCN1CCl Amb2798048 [0,1,0,0,1,0|2,0,0]=4 1766 B9R1.15 O=C1CCCC[C@@H]1CO Amb27750239 [0,1,0,0,1,0|0,0,2]=4 1767 B9R1.15 O=C1CCCC[C@H]1CO Amb27956173 [0,1,0,0,1,0|0,0,2]=4 1768 B9R1.15 O=C1CCCC\C1=C/O Amb33109815 [0,1,0,0,1,0|0,0,1]=3 1769 B9R1.15 O=C1CCCC\C1=C/[O-] Amb33541795 [0,1,0,0,1,0|0,0,1]=3 1770 B9R1.15 O=C1CCCC\C1=C\Br Amb27492896 [0,1,0,0,1,0|1,0,0]=3 1771 B9R1.15 O=C1CCCC\C1=C\Cl Amb27200151 [0,1,0,0,1,0|1,0,0]=3 1772 B9R1.15 O=C1CCCC\C1=C\O Amb20001480 [0,1,0,0,1,0|0,0,1]=3 1773 B9R1.15 O=C1CCCC\C1=C\[O-] Amb27247843 [0,1,0,0,1,0|0,0,1]=3 1774 B9R1.15 O=C1CCCC\C1=N\O Amb27780978 [0,1,0,0,1,0|0,0,1]=3 1775 B9R1.15 O=C1CCSC\C1=C\O Amb24736136 [0,1,0,0,1,0|1,0,1]=4 1776 B9R1.15 O=C1NCCC\C1=N/O Amb27493028 [0,1,0,0,1,0|1,0,1]=4 1777 B9R1.15 O=C1OCCC\C1=C\O Amb27465766 [0,1,0,0,1,0|1,0,1]=4 1778 B9R1.15 O=C1SCCC\C1=C\O Amb27652949 [0,1,0,0,1,0|1,0,1]=4 1779 B9R1.15 O=CC1=C(Br)CCCC1 Amb18522186 [0,1,0,0,1,0|1,0,0]=3 1780 B9R1.15 O=CC1=C(Br)CCOC1 Amb27184819 [0,1,0,0,1,0|2,0,0]=4 1781 B9R1.15 O=CC1=C(Cl)CCCC1 Amb2797788 [0,1,0,0,1,0|1,0,0]=3 1782 B9R1.15 O=CC1=C(Cl)CCSC1 Amb27451184 [0,1,0,0,1,0|2,0,0]=4 1783 B9R1.15 O=CC1=C(S)CCCC1 Amb28074713 [0,1,0,0,1,0|0,1,0]=3 1784 B9R1.15 O=CC1CCCCC1=O Amb19651323 [0,1,0,0,1,0|0,0,1]=3 1785 B9R1.15 O=CC1CNCCC1=O Amb27179726 [0,1,0,0,1,0|1,0,1]=4 1786 B9R1.15 O=CN1CCCCC1=O Amb27861937 [0,1,0,0,1,0|1,0,0]=3 1787 B9R1.15 O=NN1CCCNC1=O Amb25861805 [0,1,0,0,1,0|2,0,0]=4 1788 B9R1.15 OCC1=C(Cl)CCCC1 Amb28061885 [0,1,0,0,1,0|1,0,1]=4 1789 B9R1.15 [N-]=[N+]=C1CCCCC1=O Amb25074525 [0,1,0,0,1,0|1,0,0]=3 1790 B9R1.15 [N-]=[N+]=C1CCCNC1=O Amb15693097 [0,1,0,0,1,0|2,0,0]=4 1791 B9R1.40 CC1(Br)CCCCC1=O Amb17594983 [0,1,0,0,1,0|1,0,1]=4 1792 B9R1.40 CC1(C)CCCCC1=O Amb17673753 [0,1,0,0,1,0|1,0,1]=4 1793 B9R1.40 CC1(Cl)CCCCC1=O Amb15693404 [0,1,0,0,1,0|1,0,1]=4 1794 B9R1.40 CC1(F)CCCCC1=O Amb27838805 [0,1,0,0,1,0|1,0,1]=4 1795 B9R1.40 O=C1CCCCC1(Cl)Cl Amb26936585 [0,1,0,0,1,0|1,0,1]=4 1796 B9R1.40 O=C1CCCCC1(F)Cl Amb27838680 [0,1,0,0,1,0|1,0,1]=4 1797 B9R1.40 O=C1CCCCC1(F)F Amb24117922 [0,1,0,0,1,0|1,0,1]=4 1798 B11R1.650 CC1=CCC(=O)CC(Cl)CC1 Amb27858894 [0,1,0,0,0,1|2,0,0]=4 1799 B11R1.650 CC1CCC(=O)CCC(=O)O1 Amb27828835 [0,1,0,0,0,1|2,0,0]=4 1800 B11R1.245 C=CC1=CC(=O)CCCCC1 Amb28144039 [0,1,0,0,0,1|2,0,0]=4 1801 B11R1.558 CC1=C(F)C(=O)CCCCC1 Amb25374036 [0,1,0,0,0,1|2,0,0]=4 1802 B11R1.559 O=C1CCCCCS(=O)(=O)C1 Amb27802525 [0,1,0,0,0,1|2,0,0]=4 1803 B11R1.563 CC1CCCC(O)CC(=O)O1 Amb27651827 [0,1,0,0,0,1|1,0,1]=4 1804 B11R1.563 C[C@@H]1CCC[C@@H](O)CC(=O)O1 Amb27485838 [0,1,0,0,0,1|1,0,1]=4 1805 B11R1.563 C[C@@H]1CCC[C@H](O)CC(=O)O1 Amb28207207 [0,1,0,0,0,1|1,0,1]=4 1806 B11R1.110 C#CCC1=CC(=O)CCCC1 Amb27183982 [0,2,0,0,0,0|2,0,0]=4 1807 B11R1.110 CN\N=C1/CCCCC(=O)C1 Amb27226971 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.110 CN\N=C1\CCCCC(=O)C1 Amb27974027 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.110 O=C1CCCCC(CCCl)O1 Amb27407753 [0,2,0,0,0,0|1,0,1]=4 1810 B11R1.110 O=C1CCCC[C@@H](CCO)O1 Amb27197176 [0,2,0,0,0,0|0,0,2]=4 1811 B11R1.110 O=CCC1CCCCC(=O)C1 Amb28286724 [0,2,0,0,0,0|1,0,1]=4 1812 B11R1.497 CC(=O)C1=CC(=O)CCCC1 Amb27426734 [0,2,0,0,0,0|1,0,0]=3 1813 B11R1.497 CC(=O)C1CCCCC(=O)N1 Amb27873410 [0,2,0,0,0,0|1,0,1]=4 1814 B11R1.497 CC(C)[C@H]1CCCCC(=O)O1 Amb27267912 [0,2,0,0,0,0|1,0,1]=4 1815 B11R1.497 NC(=O)C1CCCCC(=O)N1 Amb26852005 [0,2,0,0,0,0|1,0,1]=4 1816 B11R1.497 O=C1CCCCC(C(=O)O)C1 Amb10603800 [0,2,0,0,0,0|1,0,1]=4 1817 B11R1.497 O=C1CCCCC(C(=O)O)N1 Amb19515429 [0,2,0,0,0,0|1,0,1]=4 1818 B11R1.66 O=C1CCCCC(=O)C1=C[O-] Amb27650177 [0,2,0,0,0,0|1,0,0]=3 1819 B11R1.66 O=CC1C(=O)CCCCC1=O Amb24334670 [0,2,0,0,0,0|1,0,0]=3 1820 B11R1.499 CC1=C(Cl)C(=O)C(C)CCC1 Amb25092926 [0,2,0,0,0,0|2,0,0]=4 1821 B11R1.499 CN1C(=O)CCCC(Br)C1=O Amb33715248 [0,2,0,0,0,0|1,0,0]=3 1822 B11R1.512 CC1(C)CCC(=O)NC(=O)C1 Amb27393981 [0,2,0,0,0,0|1,0,0]=3 1823 B11R1.512 CC1(C)CNC(=O)CC(=O)C1 Amb27431961 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.564 CC1(C)CCNC(=O)NC1=O Amb28365124 [0,2,0,0,0,0|2,0,0]=4 1825 B11R1.678 C[C@H]1CC(=O)CC(=O)C[C@H]1C Amb28386610 [0,2,0,0,0,0|1,0,0]=3 1826 B11R1.949 COC1CCNC(=O)NC1=O Amb27783659 [0,2,0,0,0,0|2,0,0]=4 1827 B9R1.7 CC1CC\C(=C/C=O)C1 Amb27618565 [0,0,1,1,0,0|2,0,0]=4 1828 B9R1.8 O=CC=C1CCCCC1 Amb17593282 [0,0,1,1,0,0|2,0,0]=4 1829 B9R1.8 O=CCC1=CCCCC1 Amb17593283 [0,0,1,1,0,0|2,0,0]=4 1830 B9R1.8 O=CNC1=CCCCC1 Amb16192555 [0,0,1,1,0,0|2,0,0]=4 1831 B9R1.9 CCCCC1=CC(=O)C1 Amb28199849 [0,0,1,1,0,0|2,0,0]=4 1832 B9R1.12 CCCCc1ccco1 Amb10070290 [0,0,1,1,0,0|2,0,0]=4 1833 B9R1.12 CCCCc1cnco1 Amb35647888 [0,0,1,1,0,0|2,0,0]=4 1834 B9R1.22 C=C1CN(CC)C(=O)O1 Amb27668935 [0,0,1,1,0,0|2,0,0]=4 1835 B9R1.22 C=CC1CC(=O)OC1=O Amb25861289 [0,0,1,1,0,0|0,0,2]=4 1836 B9R1.22 CCC1=CC(=O)OC1=O Amb28285157 [0,0,1,1,0,0|0,0,2]=4 1837 B9R1.22 CCC1CC(=O)NC1=O Amb24117084 [0,0,1,1,0,0|1,0,0]=3 1838 B9R1.22 CCC1CC(=O)OC1=O Amb24571652 [0,0,1,1,0,0|0,0,0]=2 1839 B9R1.22 CCC1CC(=O)OC1O Amb27956540 [0,0,1,1,0,0|0,0,2]=4 1840 B9R1.22 CCC1NC(=O)CC1=O Amb18203277 [0,0,1,1,0,0|2,0,0]=4 1841 B9R1.22 CCC1NC(=O)NC1=O Amb1126591 [0,0,1,1,0,0|2,0,0]=4 1842 B9R1.22 CCC1OC(=O)CC1=O Amb27249611 [0,0,1,1,0,0|2,0,0]=4 1843 B9R1.22 CCC1SC(=O)NC1=O Amb10782080 [0,0,1,1,0,0|2,0,0]=4 1844 B9R1.22 CC[C@@H]1NC(=O)NC1=O Amb25146165 [0,0,1,1,0,0|2,0,0]=4 1845 B9R1.22 CC[C@@H]1NC(=O)OC1=O Amb27837741 [0,0,1,1,0,0|1,0,0]=3 1846 B9R1.22 CC[C@H]1NC(=O)NC1=O Amb28325068 [0,0,1,1,0,0|2,0,0]=4 1847 B9R1.22 COC1CC(=O)NC1=O Amb27491448 [0,0,1,1,0,0|2,0,0]=4 1848 B9R1.22 COC1CC(=O)OC1=O Amb27613327 [0,0,1,1,0,0|1,0,0]=3 1849 B9R1.22 N#CC1CC(=O)OC1=O Amb28287816 [0,0,1,1,0,0|1,0,1]=4 1850 B9R1.22 NCC1CC(=O)NC1=O Amb22899269 [0,0,1,1,0,0|2,0,0]=4 1851 B9R1.22 NCC1CC(=O)NC1=O Amb6718275 [0,0,1,1,0,0|2,0,0]=4 1852 B9R1.22 O=C1CC(CF)C(=O)O1 Amb33379253 [0,0,1,1,0,0|1,0,0]=3 1853 B9R1.22 O=C1NC(CCl)C(=O)O1 Amb22054711 [0,0,1,1,0,0|2,0,0]=4 1854 B9R1.22 O=C1N[C@@H](CCl)C(=O)O1 Amb28411496 [0,0,1,1,0,0|2,0,0]=4 1855 B9R1.22 O=C1N[C@@H](CO)C(=O)O1 Amb26430671 [0,0,1,1,0,0|2,0,0]=4 1856 B9R1.22 O=C1N[C@H](CCl)C(=O)O1 Amb33624521 [0,0,1,1,0,0|2,0,0]=4 1857 B9R1.33 CCCC1CC=CC1=O Amb27838711 [0,0,1,1,0,0|2,0,0]=4 1858 B9R1.50 O=C1C=CCCCCC1 Amb3987503 [0,0,1,1,0,0|2,0,0]=4 1859 B9R1.50 O=C1CCCCCCO1 Amb27468239 [0,0,1,1,0,0|1,0,1]=4 1860 B9R1.73 CCOC(=O)C1CCC1 Amb9242915 [0,0,1,1,0,0|1,0,1]=4 1861 B9R1.73 O=C(OCCl)C1CCC1 Amb32676611 [0,0,1,1,0,0|1,0,1]=4 1862 B9R1.73 O=C(\C=C\Cl)C1CCC1 Amb35609476 [0,0,1,1,0,0|2,0,0]=4 1863 B9R1.73 O=CCC(=O)C1CCC1 Amb26344601 [0,0,1,1,0,0|1,0,0]=3 1864 B9R1.75 CCOC(=O)CC1CC1 Amb22728965 [0,0,1,1,0,0|1,0,1]=4 1865 B9R1.75 O=C(CC1CC1)OCCl Amb32677199 [0,0,1,1,0,0|1,0,1]=4 1866 B9R1.75 O=C(\C=C\Cl)CC1CC1 Amb29880227 [0,0,1,1,0,0|2,0,0]=4 1867 B9R1.183 C=CCC(=O)C1CC1C Amb27246039 [0,0,1,1,0,0|2,0,0]=4 1868 B9R1.183 CC1CC1C(=O)CC=O Amb25762285 [0,0,1,1,0,0|1,0,0]=3 1869 B9R1.183 CC1CC1C(=O)\C=C\Cl Amb35585513 [0,0,1,1,0,0|2,0,0]=4 1870 B9R1.183 CCOC(=O)C1CC1C Amb33531522 [0,0,1,1,0,0|1,0,1]=4 1871 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1C Amb24514988 [0,0,1,1,0,0|1,0,1]=4 1872 B9R1.183 CCOC(=O)[C@H]1C[C@@H]1C Amb27236057 [0,0,1,1,0,0|1,0,1]=4 1873 B9R1.13 CC(=O)C=C1CCCC1 Amb2699510 [0,0,1,1,0,0|2,0,0]=4 1874 B9R1.13 CC(=O)NC1=CCCC1 Amb28130431 [0,0,1,1,0,0|2,0,0]=4 1875 B9R1.13 CC(=O)OC1CCCO1 Amb22270198 [0,0,1,1,0,0|0,0,2]=4 1876 B9R1.13 CC(=O)\C=C1\CCCN1 Amb17593301 [0,0,1,1,0,0|2,0,0]=4 1877 B9R1.13 CC(=O)\C=C1\CCCO1 Amb25241353 [0,0,1,1,0,0|1,0,1]=4 1878 B9R1.38 CC1CC(=O)OC1(C)C Amb28206444 [0,0,1,1,0,0|1,0,1]=4 1879 B9R1.41 C=C1CCCC1C(C)=O Amb27164651 [0,0,1,1,0,0|2,0,0]=4 1880 B9R1.41 CC(=O)C1=C(C)CCC1 Amb27602304 [0,0,1,1,0,0|2,0,0]=4 1881 B9R1.41 CC(=O)C1=C(N)CCC1 Amb27252978 [0,0,1,1,0,0|2,0,0]=4 1882 B9R1.41 CC(=O)C1CCCC1=O Amb6600481 [0,0,1,1,0,0|1,0,0]=3 1883 B9R1.41 CC(=O)C1CCNC1=O Amb9782651 [0,0,1,1,0,0|2,0,0]=4 1884 B9R1.41 CC(=O)C1CCOC1=O Amb2404781 [0,0,1,1,0,0|2,0,0]=4 1885 B9R1.41 CC(=O)C1CSCC1=O Amb27838737 [0,0,1,1,0,0|2,0,0]=4 1886 B9R1.41 CC(=O)N1CCCC1=O Amb2720885 [0,0,1,1,0,0|1,0,0]=3 1887 B9R1.41 CC(=O)N1CCNC1=O Amb4022664 [0,0,1,1,0,0|2,0,0]=4 1888 B9R1.41 CC(=O)N1CCOC1=O Amb9825922 [0,0,1,1,0,0|2,0,0]=4 1889 B9R1.41 CC(=O)[C@H]1CCOC1=O Amb27453388 [0,0,1,1,0,0|2,0,0]=4 1890 B9R1.41 CC(=S)C1CCCC1=O Amb27947166 [0,0,1,1,0,0|1,1,0]=4 1891 B9R1.41 C\C(N)=C1\CCCC1=O Amb28381161 [0,0,1,1,0,0|2,0,0]=4 1892 B9R1.41 NC(=O)C1CCCC1=O Amb16233729 [0,0,1,1,0,0|2,0,0]=4 1893 B9R1.41 NC(=O)N1CCCC1=O Amb569706 [0,0,1,1,0,0|2,0,0]=4 1894 B9R1.41 O=C(Cl)C1CCCC1=O Amb21961757 [0,0,1,1,0,0|2,0,0]=4 1895 B9R1.41 O=C(Cl)N1CCCC1=O Amb26419839 [0,0,1,1,0,0|2,0,0]=4 1896 B9R1.41 O=C(O)C1CCCC1=O Amb18642571 [0,0,1,1,0,0|2,0,0]=4 1897 B9R1.44 CC(=O)OC1(C)CC1C Amb27837613 [0,0,1,1,0,0|1,0,1]=4 1898 B9R1.52 CC(=O)C1=C(C)CC1C Amb25879399 [0,0,1,1,0,0|2,0,0]=4 1899 B9R1.52 CC(=O)N1C(=O)CC1F Amb27267804 [0,0,1,1,0,0|2,0,0]=4 1900 B9R1.137 C=C(C)CC(=O)C1CC1 Amb27977021 [0,0,1,1,0,0|2,0,0]=4 1901 B9R1.137 CC(=O)CC(=O)C1CC1 Amb9206108 [0,0,1,1,0,0|1,0,0]=3 1902 B9R1.137 CC(=O)OC(C)C1CC1 Amb4418355 [0,0,1,1,0,0|1,0,1]=4 1903 B9R1.137 CC(=O)O[C@H](C)C1CC1 Amb28049288 [0,0,1,1,0,0|1,0,1]=4 1904 B9R1.137 CC(=O)\C=C(/C)C1CC1 Amb28351677 [0,0,1,1,0,0|2,0,0]=4 1905 B9R1.137 CC(=O)\C=C(\C)C1CC1 Amb25889814 [0,0,1,1,0,0|2,0,0]=4 1906 B9R1.137 CC(C)=CC(=O)C1CC1 Amb28367871 [0,0,1,1,0,0|2,0,0]=4 1907 B9R1.137 CC(C)OC(=O)C1CC1 Amb8385607 [0,0,1,1,0,0|1,0,1]=4 1908 B9R1.137 CS(=O)CC(=O)C1CC1 Amb27984475 [0,0,1,1,0,0|2,0,0]=4 1909 B9R1.137 C\C(N)=C/C(=O)C1CC1 Amb27648094 [0,0,1,1,0,0|2,0,0]=4 1910 B9R1.137 NC(=O)NC(=O)C1CC1 Amb25104753 [0,0,1,1,0,0|2,0,0]=4 1911 B9R1.137 O=C(O)CC(=O)C1CC1 Amb10576272 [0,0,1,1,0,0|2,0,0]=4 1912 B9R1.6 CC(=O)C1C=CCCC1 Amb17593287 [0,0,1,1,0,0|2,0,0]=4 1913 B9R1.6 CC(=O)[C@@H]1C=CCCC1 Amb25683968 [0,0,1,1,0,0|2,0,0]=4 1914 B9R1.6 O=C(O)C1C=CCCC1 Amb18642396 [0,0,1,1,0,0|1,0,0]=3 1915 B9R1.6 O=C(O)C1C=CCCN1 Amb25145978 [0,0,1,1,0,0|2,0,0]=4 1916 B9R1.6 O=C(O)C1C=CCCN1 Amb35750834 [0,0,1,1,0,0|2,0,0]=4 1917 B9R1.6 O=C(O)C1C=CCNC1 Amb18642497 [0,0,1,1,0,0|2,0,0]=4 1918 B9R1.6 O=C(O)C1C=CCNC1 Amb35747468 [0,0,1,1,0,0|2,0,0]=4 1919 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [0,0,1,1,0,0|1,0,1]=4 1920 B9R1.6 O=C(O)C1CCCCC1 Amb2721294 [0,0,1,1,0,0|1,0,1]=4 1921 B9R1.6 O=C(O)C1CCCCN1 Amb6754083 [0,0,1,1,0,0|1,0,1]=4 1922 B9R1.6 O=C(O)C1CCCCN1 Amb9703161 [0,0,1,1,0,0|1,0,1]=4 1923 B9R1.6 O=C(O)C1CCCCO1 Amb2723689 [0,0,1,1,0,0|0,0,2]=4 1924 B9R1.6 O=C(O)C1CCCCS1 Amb18202314 [0,0,1,1,0,0|0,1,1]=4 1925 B9R1.6 O=C(O)C1CCCNC1 Amb6239367 [0,0,1,1,0,0|2,0,0]=4 1926 B9R1.6 O=C(O)C1CCCNC1 Amb9703145 [0,0,1,1,0,0|2,0,0]=4 1927 B9R1.6 O=C(O)C1CCCOC1 Amb1102367 [0,0,1,1,0,0|2,0,0]=4 1928 B9R1.6 O=C(O)C1CCCSC1 Amb33545067 [0,0,1,1,0,0|2,0,0]=4 1929 B9R1.6 O=C(O)C1CCCSS1 Amb24480090 [0,0,1,1,0,0|1,1,0]=4 1930 B9R1.6 O=C(O)C1CCNC=N1 Amb27873650 [0,0,1,1,0,0|2,0,0]=4 1931 B9R1.6 O=C(O)C1CCNC=N1 Amb28935010 [0,0,1,1,0,0|2,0,0]=4 1932 B9R1.6 O=C(O)C1CSCC=N1 Amb25887246 [0,0,1,1,0,0|2,0,0]=4 1933 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [0,0,1,1,0,0|1,0,1]=4 1934 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [0,0,1,1,0,0|1,0,1]=4 1935 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb2690345 [0,0,1,1,0,0|1,0,1]=4 1936 B9R1.6 O=C(O)[C@@H]1CCCCN1 Amb8384272 [0,0,1,1,0,0|1,0,1]=4 1937 B9R1.6 O=C(O)[C@@H]1CCCCO1 Amb22746821 [0,0,1,1,0,0|0,0,2]=4 1938 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb16232354 [0,0,1,1,0,0|2,0,0]=4 1939 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb8628966 [0,0,1,1,0,0|2,0,0]=4 1940 B9R1.6 O=C(O)[C@@H]1CCCNN1 Amb30666630 [0,0,1,1,0,0|2,0,0]=4 1941 B9R1.6 O=C(O)[C@@H]1CCCOC1 Amb26885613 [0,0,1,1,0,0|2,0,0]=4 1942 B9R1.6 O=C(O)[C@@H]1CCCSC1 Amb27826589 [0,0,1,1,0,0|2,0,0]=4 1943 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [0,0,1,1,0,0|1,0,1]=4 1944 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [0,0,1,1,0,0|0,0,2]=4 1945 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb2700060 [0,0,1,1,0,0|1,0,1]=4 1946 B9R1.6 O=C(O)[C@H]1CCCCN1 Amb8515100 [0,0,1,1,0,0|1,0,1]=4 1947 B9R1.6 O=C(O)[C@H]1CCCCO1 Amb26865454 [0,0,1,1,0,0|0,0,2]=4 1948 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8384271 [0,0,1,1,0,0|2,0,0]=4 1949 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8389307 [0,0,1,1,0,0|2,0,0]=4 1950 B9R1.6 O=C(O)[C@H]1CCCNN1 Amb27154761 [0,0,1,1,0,0|2,0,0]=4 1951 B9R1.6 O=C(O)[C@H]1CCCSC1 Amb27809148 [0,0,1,1,0,0|2,0,0]=4 1952 B9R1.24 O=CC1CCCS1(=O)=O Amb27827893 [0,0,1,1,0,0|1,0,1]=4 1953 B9R1.46 CC1CC1CCC(=O)O Amb27220003 [0,0,1,1,0,0|1,0,1]=4 1954 B9R1.46 O=C(O)CCC1=C(Br)C1 Amb27650642 [0,0,1,1,0,0|1,0,1]=4 1955 B9R1.67 NC(=O)CN1CCC1=O Amb28049662 [0,0,1,1,0,0|2,0,0]=4 1956 B9R1.67 O=C(O)CC1CCC1F Amb33351668 [0,0,1,1,0,0|1,0,1]=4 1957 B9R1.84 O=C(O)CCC1CCC1 Amb8011305 [0,0,1,1,0,0|1,0,1]=4 1958 B9R1.84 O=C(O)CCC1CCO1 Amb28280741 [0,0,1,1,0,0|0,0,2]=4 1959 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [0,0,1,1,0,0|1,0,1]=4 1960 B9R1.85 O=C(O)CCCC1CC1 Amb18832629 [0,0,1,1,0,0|1,0,1]=4 1961 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [0,0,1,1,0,0|0,0,2]=4 1962 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [0,0,1,1,0,0|0,0,2]=4 1963 B9R1.96 CCC1CCC1C(=O)O Amb25727014 [0,0,1,1,0,0|1,0,1]=4 1964 B9R1.96 COC1CCC1C(=O)O Amb26516125 [0,0,1,1,0,0|2,0,0]=4 1965 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O Amb34912847 [0,0,1,1,0,0|2,0,0]=4 1966 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O Amb26636288 [0,0,1,1,0,0|2,0,0]=4 1967 B9R1.96 N#CC1CCC1C(=O)O Amb26949285 [0,0,1,1,0,0|1,0,1]=4 1968 B9R1.96 NC(=O)C1CCN1C=O Amb33251168 [0,0,1,1,0,0|2,0,0]=4 1969 B9R1.96 NC[C@@H]1CC[C@H]1C(=O)O Amb27259838 [0,0,1,1,0,0|1,0,1]=4 1970 B9R1.96 O=C(O)C1CCC1CF Amb20667674 [0,0,1,1,0,0|1,0,1]=4 1971 B9R1.96 O=C(O)C1CCC1CO Amb24340315 [0,0,1,1,0,0|0,0,2]=4 1972 B9R1.21 CCc1ccc(CC)o1 Amb27221509 [0,0,1,1,0,0|2,0,0]=4 1973 B9R1.23 CCC1=CC(=O)C(C)S1 Amb28421922 [0,0,1,1,0,0|1,1,0]=4 1974 B9R1.37 C=C1NC(=O)C(C)C1C Amb27236263 [0,0,1,1,0,0|2,0,0]=4 1975 B9R1.37 C=C1NC(=O)[C@@H](C)[C@@H]1C Amb27217263 [0,0,1,1,0,0|2,0,0]=4 1976 B9R1.37 C=C1NC(=O)[C@@H](C)[C@H]1C Amb27758891 [0,0,1,1,0,0|2,0,0]=4 1977 B9R1.37 C=C1NC(=O)[C@H](C)[C@@H]1C Amb24608855 [0,0,1,1,0,0|2,0,0]=4 1978 B9R1.37 C=C1NC(=O)[C@H](C)[C@H]1C Amb25064615 [0,0,1,1,0,0|2,0,0]=4 1979 B9R1.37 CC1=C(C)C(=O)OC1=O Amb2778195 [0,0,1,1,0,0|0,0,2]=4 1980 B9R1.37 CC1=CC(=O)C(C)C1C Amb27432608 [0,0,1,1,0,0|2,0,0]=4 1981 B9R1.37 CC1=NC(=O)C(C)C1C Amb24353879 [0,0,1,1,0,0|2,0,0]=4 1982 B9R1.37 CC1C(=N)OC(=O)N1C Amb27470608 [0,0,1,1,0,0|2,0,0]=4 1983 B9R1.37 CC1C(=O)CC(=O)N1C Amb22728666 [0,0,1,1,0,0|2,0,0]=4 1984 B9R1.37 CC1C(=O)CC(=O)N1C Amb22736319 [0,0,1,1,0,0|2,0,0]=4 1985 B9R1.37 CC1C(=O)NC(=O)C1C Amb19148076 [0,0,1,1,0,0|1,0,0]=3 1986 B9R1.37 CC1C(=O)OC(=O)C1C Amb27266073 [0,0,1,1,0,0|0,0,0]=2 1987 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [0,0,1,1,0,0|1,0,0]=3 1988 B9R1.37 C[C@@H]1C(=O)NC(=O)[C@@H]1C Amb27876548 [0,0,1,1,0,0|1,0,0]=3 1989 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C Amb24183510 [0,0,1,1,0,0|1,0,0]=3 1990 B9R1.37 C[C@H]1C(=O)CC(=O)[C@H]1O Amb28074639 [0,0,1,1,0,0|2,0,0]=4 1991 B9R1.37 C[C@H]1C(=O)OC(=O)N1C Amb24528343 [0,0,1,1,0,0|1,0,0]=3 1992 B9R1.37 O=C1OC(=O)C(F)C1F Amb27180807 [0,0,1,1,0,0|2,0,0]=4 1993 B9R1.37 O=C1OC(=O)[C@@H](Cl)[C@@H]1Cl Amb27261509 [0,0,1,1,0,0|2,0,0]=4 1994 B9R1.81 CCC(=O)N1CCC1=O Amb25190242 [0,0,1,1,0,0|1,0,0]=3 1995 B9R1.81 COC(=O)C1CCC1=O Amb26937068 [0,0,1,1,0,0|2,0,0]=4 1996 B9R2.7 O=C1CC2CC=CC12 Amb6608765 [1,0,0,1,0,0|1,0,1]=4 1997 B9R2.7 O=C1CC2CCOC12 Amb27593836 [1,0,0,1,0,0|2,0,0]=4 1998 B9R2.7 O=C1C[C@@H]2CCC[C@H]12 Amb27427660 [1,0,0,1,0,0|1,0,1]=4 1999 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 Amb22757944 [1,0,0,1,0,0|2,0,0]=4 2000 B9R2.7 O=C1NC2CCCC12 Amb2694983 [1,0,0,1,0,0|1,0,1]=4 2001 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 Amb25278653 [1,0,0,1,0,0|1,0,1]=4 2002 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 Amb6366178 [1,0,0,1,0,0|1,0,1]=4 2003 B9R2.20 O=C1C=CC2CCC12 Amb22365116 [1,0,0,1,0,0|1,0,0]=3 2004 B9R2.20 O=C1CCC2CCC12 Amb26556513 [1,0,0,1,0,0|1,0,1]=4 2005 B9R2.20 O=C1CC[C@@H]2C=C[C@H]12 Amb27782001 [1,0,0,1,0,0|1,0,1]=4 2006 B9R2.20 O=C1CC[C@@H]2CC[C@H]12 Amb27214199 [1,0,0,1,0,0|1,0,1]=4 2007 B9R2.20 O=C1NCC2CCC12 Amb24121240 [1,0,0,1,0,0|1,0,1]=4 2008 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 Amb28131123 [1,0,0,1,0,0|1,0,1]=4 2009 B9R2.21 O=C1C=CC2CC2C1 Amb28284686 [1,0,0,1,0,0|1,0,0]=3 2010 B9R2.21 O=C1CC2CC2CN1 Amb33716335 [1,0,0,1,0,0|1,0,1]=4 2011 B9R2.21 O=C1CCC2CC2C1 Amb28316224 [1,0,0,1,0,0|1,0,1]=4 2012 B9R2.21 O=C1CCC2CC2N1 Amb27636987 [1,0,0,1,0,0|1,0,1]=4 2013 B9R2.21 O=C1CCC2CC2O1 Amb27422131 [1,0,0,1,0,0|0,0,1]=3 2014 B9R2.21 O=C1NC2CC2CO1 Amb28247932 [1,0,0,1,0,0|1,0,1]=4 2015 B9R2.33 O=C1CC2CCC2C1 Amb28316189 [1,0,0,1,0,0|1,0,1]=4 2016 B9R2.33 O=C1CC2CCC2N1 Amb28398052 [1,0,0,1,0,0|1,0,1]=4 2017 B9R2.33 O=C1CC2CC[C@H]2C1 Amb28048983 [1,0,0,1,0,0|1,0,1]=4 2018 B9R2.33 O=C1C[C@@H]2CC[C@@H]2C1 Amb26937805 [1,0,0,1,0,0|1,0,1]=4 2019 B9R2.33 O=C1C[C@@H]2CC[C@@H]2N1 Amb27420727 [1,0,0,1,0,0|1,0,1]=4 2020 B9R2.33 O=C1NC2CCC2O1 Amb26067754 [1,0,0,1,0,0|1,0,1]=4 2021 B9R2.109 O=C1C=CCC2CC12 Amb27261956 [1,0,0,1,0,0|1,0,0]=3 2022 B9R2.109 O=C1C=CC[C@H]2C[C@@H]12 Amb27199136 [1,0,0,1,0,0|1,0,0]=3 2023 B9R2.109 O=C1CCCC2CC12 Amb17593139 [1,0,0,1,0,0|1,0,1]=4 2024 B9R2.109 O=C1CCCC2OC12 Amb20671097 [1,0,0,1,0,0|2,0,0]=4 2025 B9R2.109 O=C1CCC[C@@H]2C[C@@H]12 Amb24512517 [1,0,0,1,0,0|1,0,1]=4 2026 B9R2.109 O=C1CCC[C@@H]2C[C@H]12 Amb25934279 [1,0,0,1,0,0|1,0,1]=4 2027 B9R2.109 O=C1CCC[C@H]2C[C@@H]12 Amb24723004 [1,0,0,1,0,0|1,0,1]=4 2028 B9R2.109 O=C1CCC[C@H]2C[C@H]12 Amb27640590 [1,0,0,1,0,0|1,0,1]=4 2029 B9R2.109 O=C1NNCC2CC12 Amb27797433 [1,0,0,1,0,0|2,0,0]=4 2030 B9R2.18 C=C1C2CCC(=O)C12 Amb27749879 [0,0,0,1,1,0|2,0,0]=4 2031 B9R2.25 CC1=CC(=O)[C@@H]2C[C@H]12 Amb27797370 [0,0,0,1,1,0|2,0,0]=4 2032 B9R2.25 O=C1CC(=O)[C@@H]2C[C@H]12 Amb28048943 [0,0,0,1,1,0|1,0,0]=3 2033 B9R2.25 O=C1NC(=O)C2CC12 Amb2446323 [0,0,0,1,1,0|1,0,0]=3 2034 B9R2.25 O=C1OC(=O)C2CC12 Amb2445133 [0,0,0,1,1,0|0,0,0]=2 2035 B9R2.25 O=C1OC(=O)[C@@H]2C[C@H]12 Amb27236139 [0,0,0,1,1,0|0,0,0]=2 2036 B9R2.29 O=C1CC2NC(=O)C12 Amb27801485 [0,0,0,1,1,0|2,0,0]=4 2037 B9R2.29 O=C1C[C@@H]2NC(=O)[C@H]12 Amb28388801 [0,0,0,1,1,0|2,0,0]=4 2038 B9R2.29 O=C1C[C@H]2NC(=O)[C@@H]12 Amb27458936 [0,0,0,1,1,0|2,0,0]=4 2039 B9R2.39 O=C1OC2CCC1C2 Amb31379084 [0,0,0,1,1,0|1,0,1]=4 2040 B9R2.17 C[C@@]12C[C@@H]1CCC2=O Amb27972913 [0,0,0,1,1,0|1,0,1]=4 2041 B9R2.17 O=C1CCC2CC12Br Amb28048970 [0,0,0,1,1,0|1,0,1]=4 2042 B9R2.17 O=C1CCC2CC12O Amb28285228 [0,0,0,1,1,0|0,0,2]=4 2043 B9R2.17 O=C1CC[C@@H]2C[C@]12Br Amb28285888 [0,0,0,1,1,0|1,0,1]=4 2044 B9R2.19 O=C1CCC2CC1C2 Amb33547757 [0,0,0,1,1,0|1,0,1]=4 2045 B9R2.19 O=C1CCC2CC1O2 Amb22364973 [0,0,0,1,1,0|0,0,2]=4 2046 B9R2.37 CC1CC2CC2C1=O Amb28048952 [0,0,0,1,1,0|1,0,1]=4 2047 B9R2.37 C[C@@H]1C(=O)C[C@@H]2C[C@@H]21 Amb28351384 [0,0,0,1,1,0|1,0,1]=4 2048 B9R2.37 O=C1[C@H](F)C[C@H]2C[C@@H]12 Amb33804306 [0,0,0,1,1,0|1,0,1]=4 2049 B9R2.53 O=C1C2CCCC1C2 Amb28048997 [0,0,0,1,1,0|1,0,1]=4 2050 B9R2.90 O=C1[C@H](Cl)[C@H]2CC[C@@H]12 Amb27643745 [0,0,0,1,1,0|1,0,1]=4 2051 B11R2.66 C=C1CC2CCC(=O)N2C1 Amb27668956 [0,0,0,1,0,1|2,0,0]=4 2052 B11R2.66 N[C@H]1CC[C@@H]2CC(=O)O[C@H]12 Amb27470313 [0,0,0,1,0,1|1,0,1]=4 2053 B11R2.66 O=C1CC2CCC(=O)C2O1 Amb28062982 [0,0,0,1,0,1|0,0,0]=2 2054 B11R2.66 O=C1CC2CCC(Br)C2O1 Amb27949602 [0,0,0,1,0,1|1,0,1]=4 2055 B11R2.66 O=C1CC2CCC(Cl)C2O1 Amb28120059 [0,0,0,1,0,1|1,0,1]=4 2056 B11R2.66 O=C1CC2CCC(O)C2O1 Amb27972610 [0,0,0,1,0,1|0,0,2]=4 2057 B11R2.66 O=C1CC2CNC(=O)C2N1 Amb27976247 [0,0,0,1,0,1|2,0,0]=4 2058 B11R2.66 O=C1CC2CNC(=O)N2C1 Amb28061959 [0,0,0,1,0,1|2,0,0]=4 2059 B11R2.66 O=C1CN2C(=O)CCC2N1 Amb26515388 [0,0,0,1,0,1|2,0,0]=4 2060 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2C1 Amb27631333 [0,0,0,1,0,1|2,0,0]=4 2061 B11R2.66 O=C1C[C@@H]2CC[C@H](O)[C@@H]2O1 Amb27632017 [0,0,0,1,0,1|0,0,2]=4 2062 B11R2.66 O=C1C[C@H]2CC[C@@H](O)[C@H]2O1 Amb27456630 [0,0,0,1,0,1|0,0,2]=4 2063 B11R2.66 O=C1C[C@H]2CC[C@H](Br)[C@H]2O1 Amb28060012 [0,0,0,1,0,1|1,0,1]=4 2064 B11R2.66 O=C1C[C@H]2CC[C@H](O)[C@H]2O1 Amb27790348 [0,0,0,1,0,1|0,0,2]=4 2065 B11R2.66 O=C1C[C@H]2CNC(=O)N2C1 Amb25884581 [0,0,0,1,0,1|2,0,0]=4 2066 B11R2.66 O=C1C[C@H]2COC(=O)N2C1 Amb28050525 [0,0,0,1,0,1|2,0,0]=4 2067 B11R2.66 O=C1OC2CNC(=O)C2O1 Amb32831017 [0,0,0,1,0,1|2,0,0]=4 2068 B11R2.104 O=C1CN2C(=O)CCC[C@H]12 Amb28246588 [0,0,0,1,0,1|1,0,0]=3 2069 B11R2.117 O=C1CCC2NC(=O)C2O1 Amb27793323 [0,0,0,1,0,1|1,0,0]=3 2070 B11R2.117 O=C1CC[C@H]2NC(=O)[C@H]2O1 Amb27252641 [0,0,0,1,0,1|1,0,0]=3 2071 B11R2.117 O=C1COC2CC(=O)N2C1 Amb24502173 [0,0,0,1,0,1|2,0,0]=4 2072 B11R2.207 O=C1C=CC(=O)[C@@H]2CC[C@H]12 Amb27768844 [0,0,0,1,0,1|1,0,0]=3 2073 B11R2.207 O=C1CCC(=O)C2CCC12 Amb27973034 [0,0,0,1,0,1|1,0,0]=3 2074 B11R2.207 O=C1NCC(=O)N2CCC12 Amb27832016 [0,0,0,1,0,1|2,0,0]=4 2075 B11R2.475 CC12CCCCC(=O)C1O2 Amb26428986 [0,0,0,1,0,1|1,0,1]=4 2076 B11R2.67 C=C1COC2CCC(=O)C12 Amb28324375 [0,0,0,1,0,1|2,0,0]=4 2077 B11R2.67 C=C1CO[C@@H]2CCC(=O)[C@H]12 Amb28052553 [0,0,0,1,0,1|2,0,0]=4 2078 B11R2.67 O=C1CCC2CCC(=O)C12 Amb27867253 [0,0,0,1,0,1|1,0,0]=3 2079 B11R2.67 O=C1CCC2CCC(=O)N12 Amb24502246 [0,0,0,1,0,1|1,0,0]=3 2080 B11R2.67 O=C1CCC2CNC(=O)N12 Amb27185750 [0,0,0,1,0,1|1,0,0]=3 2081 B11R2.67 O=C1CCC2COC(=O)C12 Amb27494329 [0,0,0,1,0,1|1,0,0]=3 2082 B11R2.67 O=C1CCC2SCC(=O)N12 Amb2428441 [0,0,0,1,0,1|1,0,0]=3 2083 B11R2.67 O=C1CC[C@@H]2COC(=O)[C@H]12 Amb27854998 [0,0,0,1,0,1|1,0,0]=3 2084 B11R2.202 CC1=CC(=O)C2CCCC12 Amb25862130 [0,0,0,1,0,1|2,0,0]=4 2085 B11R2.202 CC1=CC(=O)N2CCCC12 Amb27598058 [0,0,0,1,0,1|2,0,0]=4 2086 B11R2.202 NC1=NC(=O)C2CCCN12 Amb24449783 [0,0,0,1,0,1|2,0,0]=4 2087 B11R2.202 O=C1CC(=O)N2CCCC12 Amb26331383 [0,0,0,1,0,1|1,0,0]=3 2088 B11R2.202 O=C1NC(=O)C2=C1CCC2 Amb25060653 [0,0,0,1,0,1|1,0,1]=4 2089 B11R2.202 O=C1NC(=O)C2CCCC12 Amb8390867 [0,0,0,1,0,1|1,0,0]=3 2090 B11R2.202 O=C1NC(=O)C2CNCC12 Amb20622869 [0,0,0,1,0,1|1,0,0]=3 2091 B11R2.202 O=C1NC(=O)C2CNCC12 Amb32410143 [0,0,0,1,0,1|1,0,0]=3 2092 B11R2.202 O=C1NC(=O)C2N=NCC12 Amb28187162 [0,0,0,1,0,1|2,0,0]=4 2093 B11R2.202 O=C1NC(=O)C2ONCC12 Amb33719104 [0,0,0,1,0,1|2,0,0]=4 2094 B11R2.202 O=C1NC(=O)N2CCCC12 Amb6315779 [0,0,0,1,0,1|1,0,0]=3 2095 B11R2.202 O=C1NC(=O)N2CSCC12 Amb6327446 [0,0,0,1,0,1|2,0,0]=4 2096 B11R2.202 O=C1NC(=O)N2CSC[C@@H]12 Amb27401016 [0,0,0,1,0,1|2,0,0]=4 2097 B11R2.202 O=C1NC(=O)[C@@H]2CCC[C@H]12 Amb25889954 [0,0,0,1,0,1|1,0,0]=3 2098 B11R2.202 O=C1NC(=O)[C@H]2CNC[C@@H]12 Amb15701381 [0,0,0,1,0,1|1,0,0]=3 2099 B11R2.202 O=C1NC(=O)[C@H]2CNC[C@H]12 Amb28384516 [0,0,0,1,0,1|1,0,0]=3 2100 B11R2.202 O=C1NC(=S)N2CCCC12 Amb28076834 [0,0,0,1,0,1|1,1,0]=4 2101 B11R2.202 O=C1OC(=O)C2=C1CCC2 Amb9825622 [0,0,0,1,0,1|0,0,1]=3 2102 B11R2.202 O=C1OC(=O)C2=C1CSC2 Amb24453008 [0,0,0,1,0,1|0,0,2]=4 2103 B11R2.202 O=C1OC(=O)C2CCCC12 Amb2694682 [0,0,0,1,0,1|0,0,0]=2 2104 B11R2.202 O=C1OC(=O)C2CNCC12 Amb27793421 [0,0,0,1,0,1|0,0,0]=2 2105 B11R2.202 O=C1OC(=O)C2COCC12 Amb27847238 [0,0,0,1,0,1|0,0,0]=2 2106 B11R2.202 O=C1OC(=O)C2CSCC12 Amb25911624 [0,0,0,1,0,1|0,0,0]=2 2107 B11R2.202 O=C1OC(=O)C2OCCC12 Amb32667363 [0,0,0,1,0,1|0,0,0]=2 2108 B11R2.202 O=C1OC(=O)[C@@H]2CCC[C@H]12 Amb6299711 [0,0,0,1,0,1|0,0,0]=2 2109 B11R2.202 O=C1OC(=O)[C@@H]2CCO[C@H]12 Amb32656022 [0,0,0,1,0,1|0,0,0]=2 2110 B11R2.202 O=C1OC(O)[C@@H]2CCC[C@H]12 Amb27423196 [0,0,0,1,0,1|0,0,2]=4 2111 B11R2.202 O=C1SC(=S)N2CCCC12 Amb27462821 [0,0,0,1,0,1|0,2,0]=4 2112 B11R2.468 O=C1CCCC2CC(=O)N12 Amb28319288 [0,0,0,1,0,1|1,0,0]=3 2113 B11R2.610 O=C1NC(=O)C2CCC2N1 Amb22490465 [0,0,0,1,0,1|1,0,0]=3 2114 B11R2.610 O=C1NC(=O)[C@H]2CC[C@H]2N1 Amb10975540 [0,0,0,1,0,1|1,0,0]=3 2115 B11R2.610 O=C1NC2CCC2C(=O)O1 Amb28132341 [0,0,0,1,0,1|0,0,0]=2 2116 B11R2.610 O=C1N[C@@H]2CC[C@@H]2C(=O)O1 Amb27467292 [0,0,0,1,0,1|0,0,0]=2 2117 B11R2.678 O=C1NC2CCCC(C2)O1 Amb27830368 [0,0,0,1,0,1|1,0,1]=4 2118 B11R2.120 NC1C2CCCC1C(=O)O2 Amb27878980 [0,1,0,1,0,0|1,0,1]=4 2119 B11R2.120 O=C1OC2CCCC1C2Br Amb27797259 [0,1,0,1,0,0|1,0,1]=4 2120 B11R2.120 O=C1O[C@@H]2CCC[C@H]1[C@@H]2O Amb27961367 [0,1,0,1,0,0|0,0,2]=4 2121 B11R2.120 O=C1O[C@@H]2CCC[C@H]1[C@H]2Br Amb27966696 [0,1,0,1,0,0|1,0,1]=4 2122 B11R2.234 O=C1OC(CO)C2CCC12 Amb27242568 [0,1,0,1,0,0|0,0,2]=4 2123 B11R2.234 O=C1O[C@H](CO)[C@@H]2CC[C@H]12 Amb27968557 [0,1,0,1,0,0|0,0,2]=4 2124 B11R2.262 O=CC1=CC[C@H]2CC(=O)[C@@H]12 Amb28071196 [0,1,0,1,0,0|1,0,1]=4 2125 B11R2.432 O=C1CC2CCC(C1)S2=O Amb28201666 [0,1,0,1,0,0|1,0,1]=4 2126 B11R2.432 O=C1C[C@@H]2CC[C@H](O1)[C@@H]2O Amb27420516 [0,1,0,1,0,0|0,0,2]=4 2127 B11R2.1024 O=C[C@@H]1C[C@H]2O[C@H]2C(=O)O1 Amb27788331 [0,1,0,1,0,0|1,0,1]=4 2128 B11R2.116 N[C@H]1CC[C@@H]2C[C@H]1C(=O)O2 Amb27815062 [0,1,0,1,0,0|1,0,1]=4 2129 B11R2.116 O=C1CCC2CC(=O)C1C2 Amb23452863 [0,1,0,1,0,0|1,0,0]=3 2130 B11R2.116 O=C1CCC2CC1C(=O)N2 Amb23596866 [0,1,0,1,0,0|2,0,0]=4 2131 B11R2.494 CC1=C(C)[C@@H]2CC[C@@H]2C1=O Amb28052173 [0,1,0,1,0,0|2,0,0]=4 2132 B11R2.542 C[C@]12C(=O)CC[C@H]1CC2=O Amb28132279 [0,1,0,1,0,0|1,0,0]=3 2133 B11R2.68 O=C1OC2CC1CCC2I Amb24375690 [0,1,0,1,0,0|1,0,1]=4 2134 B11R2.68 O=C1OC2CC1CCC2O Amb27757409 [0,1,0,1,0,0|1,0,1]=4 2135 B11R2.201 CC1=CC(=O)[C@@H]2CC[C@H]1C2 Amb27626840 [0,1,0,1,0,0|2,0,0]=4 2136 B11R2.201 O=C1CC(=O)C2CCC1C2 Amb26560433 [0,1,0,1,0,0|1,0,0]=3 2137 B11R2.201 O=C1NC(=O)C2CCC1C2 Amb26617541 [0,1,0,1,0,0|1,0,0]=3 2138 B11R2.201 O=C1NC(=S)[C@@H]2CC[C@H]1C2 Amb27442430 [0,1,0,1,0,0|1,1,0]=4 2139 B11R2.201 O=C1OC(=O)C2CCC1C2 Amb2221144 [0,1,0,1,0,0|0,0,0]=2 2140 B11R2.201 O=C1OC(=O)C2CCC1N2 Amb26355979 [0,1,0,1,0,0|0,0,0]=2 2141 B11R2.201 O=C1OC(=O)C2CCC1O2 Amb27214562 [0,1,0,1,0,0|0,0,0]=2 2142 B11R2.201 O=C1OC(=O)C2CCC1S2 Amb25224569 [0,1,0,1,0,0|0,0,0]=2 2143 B11R2.201 O=C1OC(=O)[C@@H]2CC[C@H]1C2 Amb25275974 [0,1,0,1,0,0|0,0,0]=2 2144 B11R2.434 O=C1CC2CC(CC2O)O1 Amb27664586 [0,1,0,1,0,0|1,0,1]=4 2145 B11R2.538 C[C@@H]1C(=O)[C@H]2C(=O)CC[C@@H]12 Amb27780837 [0,1,0,1,0,0|1,0,0]=3 2146 B11R2.624 C=C1C[C@@H]2[C@@H](O)CC(=O)[C@H]12 Amb27427936 [0,1,0,1,0,0|2,0,0]=4 2147 B11R2.624 C=C1C[C@H](C)[C@H]2CC(=O)[C@@H]12 Amb28052264 [0,1,0,1,0,0|2,0,0]=4 2148 B11R2.758 C=C1CC[C@@]2(C)CC(=O)[C@@H]12 Amb28196671 [0,1,0,1,0,0|2,0,0]=4 2149 B7R0.5 C=C(C)C(=O)CCC Amb25862437 [0,0,1,0,1,0|1,0,0]=3 2150 B7R0.5 C=C(C)C(=O)CCN Amb25694471 [0,0,1,0,1,0|2,0,0]=4 2151 B7R0.5 C=C(C)C(=O)CNC Amb26901887 [0,0,1,0,1,0|2,0,0]=4 2152 B7R0.5 C=C(C)C(=O)NCC Amb17934052 [0,0,1,0,1,0|2,0,0]=4 2153 B7R0.5 C=C(C)C(=O)OCC Amb8395008 [0,0,1,0,1,0|2,0,0]=4 2154 B7R0.5 C=C(CCC)C(=O)O Amb18641779 [0,0,1,0,1,0|2,0,0]=4 2155 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [0,0,1,0,1,0|1,0,1]=4 2156 B7R0.5 CC(=O)C(=O)CCCl Amb28077243 [0,0,1,0,1,0|1,0,0]=3 2157 B7R0.5 CC(=O)C(=O)CCO Amb25074119 [0,0,1,0,1,0|1,0,0]=3 2158 B7R0.5 CCCC(=O)C(=O)O Amb22347924 [0,0,1,0,1,0|1,0,0]=3 2159 B7R0.5 CCCC(=O)C(C)=O Amb8517524 [0,0,1,0,1,0|0,0,0]=2 2160 B7R0.5 CCCC(=O)C(C)Br Amb26586776 [0,0,1,0,1,0|1,0,1]=4 2161 B7R0.5 CCCC(=O)C(C)C Amb8394855 [0,0,1,0,1,0|1,0,1]=4 2162 B7R0.5 CCCC(=O)C(C)N Amb18641850 [0,0,1,0,1,0|1,0,1]=4 2163 B7R0.5 CCCC(=O)C(C)O Amb24481443 [0,0,1,0,1,0|0,0,2]=4 2164 B7R0.5 CCCC(=O)N(C)C Amb2721151 [0,0,1,0,1,0|2,0,0]=4 2165 B7R0.5 CCCC(=O)N(C)N Amb33191427 [0,0,1,0,1,0|2,0,0]=4 2166 B7R0.5 CCCC(=O)N(C)O Amb27229047 [0,0,1,0,1,0|1,0,1]=4 2167 B7R0.5 CCCC(=O)[C@@H](C)N Amb30023710 [0,0,1,0,1,0|1,0,1]=4 2168 B7R0.5 CCCC(=O)[C@H](C)N Amb35617900 [0,0,1,0,1,0|1,0,1]=4 2169 B7R0.5 CCCC(=O)[C@H](C)O Amb24546365 [0,0,1,0,1,0|0,0,2]=4 2170 B7R0.5 CCCC(Br)C(C)=O Amb26870127 [0,0,1,0,1,0|1,0,1]=4 2171 B7R0.5 CCCC(C)=C(C)C Amb4019545 [0,0,1,0,1,0|2,0,0]=4 2172 B7R0.5 CCCC(C)C(C)=O Amb4034597 [0,0,1,0,1,0|1,0,1]=4 2173 B7R0.5 CCCC(F)C(C)=O Amb28316211 [0,0,1,0,1,0|1,0,1]=4 2174 B7R0.5 CCCC(N)C(C)=O Amb27838289 [0,0,1,0,1,0|1,0,1]=4 2175 B7R0.5 CCCC(O)C(C)=O Amb22495823 [0,0,1,0,1,0|0,0,2]=4 2176 B7R0.5 CCCN(N)C(C)=O Amb18641903 [0,0,1,0,1,0|2,0,0]=4 2177 B7R0.5 CCC[C@@H](N)C(C)=O Amb35659946 [0,0,1,0,1,0|1,0,1]=4 2178 B7R0.5 CCC[C@H](C)C(C)=O Amb27463637 [0,0,1,0,1,0|1,0,1]=4 2179 B7R0.5 CCC[C@H](N)C(C)=O Amb35662324 [0,0,1,0,1,0|1,0,1]=4 2180 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [0,0,1,0,1,0|0,0,2]=4 2181 B7R0.5 CCNC(=O)C(=O)O Amb9303800 [0,0,1,0,1,0|2,0,0]=4 2182 B7R0.5 CCNC(=O)C(C)=O Amb17399798 [0,0,1,0,1,0|1,0,0]=3 2183 B7R0.5 CCNC(=O)C(N)=O Amb27969146 [0,0,1,0,1,0|2,0,0]=4 2184 B7R0.5 CCOC(=O)C(=O)Cl Amb932808 [0,0,1,0,1,0|2,0,0]=4 2185 B7R0.5 CCOC(=O)C(=O)O Amb16192090 [0,0,1,0,1,0|2,0,0]=4 2186 B7R0.5 CCOC(=O)C(=O)[O-] Amb16192061 [0,0,1,0,1,0|2,0,0]=4 2187 B7R0.5 CCOC(=O)C(C)=O Amb2793051 [0,0,1,0,1,0|1,0,0]=3 2188 B7R0.5 CCOC(=O)C(N)=O Amb3886540 [0,0,1,0,1,0|2,0,0]=4 2189 B7R0.5 CCSC(=O)C(=O)O Amb28410577 [0,0,1,0,1,0|2,0,0]=4 2190 B7R0.5 CCSC(=O)C(C)=O Amb27972957 [0,0,1,0,1,0|1,0,0]=3 2191 B7R0.5 CC\C=C(/Cl)C(C)=O Amb27199134 [0,0,1,0,1,0|1,0,1]=4 2192 B7R0.5 CC\C=C(\Cl)C(C)=O Amb27486079 [0,0,1,0,1,0|1,0,1]=4 2193 B7R0.5 COCC(=O)C(C)=O Amb24694271 [0,0,1,0,1,0|1,0,0]=3 2194 B7R0.5 O=C(O)C(=O)CCF Amb33377241 [0,0,1,0,1,0|2,0,0]=4 2195 B7R0.5 O=C(O)C(=O)CCO Amb25677024 [0,0,1,0,1,0|2,0,0]=4 2196 B7R0.10 C=C(CC)C(=O)CC Amb17593165 [0,0,1,0,1,0|1,0,0]=3 2197 B7R0.10 C=C(CC)C(=O)CO Amb27486129 [0,0,1,0,1,0|2,0,0]=4 2198 B7R0.10 C=C(CC)C(=O)OC Amb24469857 [0,0,1,0,1,0|2,0,0]=4 2199 B7R0.10 CCC(=O)C(=O)CC Amb6608779 [0,0,1,0,1,0|0,0,0]=2 2200 B7R0.10 CCC(=O)C(=O)CO Amb28316184 [0,0,1,0,1,0|1,0,0]=3 2201 B7R0.10 CCC(=O)C(=O)OC Amb17935757 [0,0,1,0,1,0|1,0,0]=3 2202 B7R0.10 CCC(=O)C(C)CC Amb22229845 [0,0,1,0,1,0|1,0,1]=4 2203 B7R0.10 CCC(=O)C(Cl)CC Amb17593422 [0,0,1,0,1,0|1,0,1]=4 2204 B7R0.10 CCC(=O)C(F)CC Amb28048919 [0,0,1,0,1,0|1,0,1]=4 2205 B7R0.10 CCC(=O)C(O)CC Amb2721046 [0,0,1,0,1,0|0,0,2]=4 2206 B7R0.10 CCC(=O)N(N)CC Amb33191316 [0,0,1,0,1,0|2,0,0]=4 2207 B7R0.10 CCC(=O)[C@@H](N)CC Amb35601236 [0,0,1,0,1,0|1,0,1]=4 2208 B7R0.10 CCC(=O)[C@H](C)CC Amb27835595 [0,0,1,0,1,0|1,0,1]=4 2209 B7R0.10 CCC(=O)[C@H](N)CC Amb35594878 [0,0,1,0,1,0|1,0,1]=4 2210 B7R0.10 CCC(=O)\C(C)=N\C Amb27260482 [0,0,1,0,1,0|2,0,0]=4 2211 B7R0.10 CC\C(C)=C(\C)CC Amb24099381 [0,0,1,0,1,0|2,0,0]=4 2212 B7R0.10 CNC(=O)C(=O)NC Amb534268 [0,0,1,0,1,0|2,0,0]=4 2213 B7R0.10 CNC(=O)C(=O)OC Amb26858133 [0,0,1,0,1,0|2,0,0]=4 2214 B7R0.10 COC(=O)C(=O)CBr Amb2455971 [0,0,1,0,1,0|2,0,0]=4 2215 B7R0.10 COC(=O)C(=O)CCl Amb25929741 [0,0,1,0,1,0|2,0,0]=4 2216 B7R0.10 COC(=O)C(=O)CF Amb27464331 [0,0,1,0,1,0|2,0,0]=4 2217 B7R0.10 COC(=O)C(=O)C[S-] Amb27397384 [0,0,1,0,1,0|2,0,0]=4 2218 B7R0.10 COC(=O)C(=O)OC Amb2793071 [0,0,1,0,1,0|2,0,0]=4 2219 B7R0.10 CSC(=O)C(=O)CF Amb27861416 [0,0,1,0,1,0|2,0,0]=4 2220 B7R0.10 C\C=C(/C)C(=O)CC Amb28066002 [0,0,1,0,1,0|1,0,1]=4 2221 B7R0.10 O=C(CBr)C(=O)CBr Amb4057539 [0,0,1,0,1,0|2,0,0]=4 2222 B7R0.10 O=C(CCl)C(=O)CBr Amb17506259 [0,0,1,0,1,0|2,0,0]=4 2223 B7R0.10 O=C(CO)C(=O)CO Amb28049023 [0,0,1,0,1,0|2,0,0]=4 2224 B7R1.3 BrC1=CCCCC1 Amb21856761 [1,0,0,0,1,0|1,0,0]=3 2225 B7R1.3 BrC1=CCCCO1 Amb24322651 [1,0,0,0,1,0|1,0,1]=4 2226 B7R1.3 BrC1=CCCNC1 Amb27173423 [1,0,0,0,1,0|2,0,0]=4 2227 B7R1.3 BrC1=CCCNC1 Amb32651839 [1,0,0,0,1,0|2,0,0]=4 2228 B7R1.3 BrC1=CCNCC1 Amb24317585 [1,0,0,0,1,0|2,0,0]=4 2229 B7R1.3 BrC1=CCNCC1 Amb33189234 [1,0,0,0,1,0|2,0,0]=4 2230 B7R1.3 BrC1=CCOCC1 Amb21964919 [1,0,0,0,1,0|2,0,0]=4 2231 B7R1.3 BrC1=CCSCC1 Amb22229691 [1,0,0,0,1,0|2,0,0]=4 2232 B7R1.3 BrC1=COCCC1 Amb24322600 [1,0,0,0,1,0|2,0,0]=4 2233 B7R1.3 BrC1CCCCO1 Amb24322575 [1,0,0,0,1,0|1,0,1]=4 2234 B7R1.3 C=C1CCCCC1 Amb8515603 [1,0,0,0,1,0|1,0,1]=4 2235 B7R1.3 C=C1CCCCN1 Amb27801038 [1,0,0,0,1,0|2,0,0]=4 2236 B7R1.3 C=C1CCCCO1 Amb28345156 [1,0,0,0,1,0|1,0,0]=3 2237 B7R1.3 C=C1OCCCO1 Amb25734089 [1,0,0,0,1,0|2,0,0]=4 2238 B7R1.3 CC1=CCCCC1 Amb8513524 [1,0,0,0,1,0|1,0,0]=3 2239 B7R1.3 CC1=CCCCO1 Amb24480530 [1,0,0,0,1,0|1,0,1]=4 2240 B7R1.3 CC1=CCCNC1 Amb23439963 [1,0,0,0,1,0|2,0,0]=4 2241 B7R1.3 CC1=CCCNC1 Amb25063349 [1,0,0,0,1,0|2,0,0]=4 2242 B7R1.3 CC1=CCNCC1 Amb18639053 [1,0,0,0,1,0|2,0,0]=4 2243 B7R1.3 CC1=CCNCC1 Amb21961140 [1,0,0,0,1,0|2,0,0]=4 2244 B7R1.3 CC1=CCOCC1 Amb24070517 [1,0,0,0,1,0|2,0,0]=4 2245 B7R1.3 CC1=NCCCC1 Amb27459940 [1,0,0,0,1,0|2,0,0]=4 2246 B7R1.3 CC1CCCCO1 Amb4035049 [1,0,0,0,1,0|1,0,1]=4 2247 B7R1.3 C[SiH]1CCCCO1 Amb26582586 [1,0,0,0,1,0|1,1,0]=4 2248 B7R1.3 ClC1=CCCCC1 Amb9785147 [1,0,0,0,1,0|1,0,0]=3 2249 B7R1.3 ClC1=CCCCO1 Amb27449514 [1,0,0,0,1,0|1,0,1]=4 2250 B7R1.3 ClC1=CCCNC1 Amb32664385 [1,0,0,0,1,0|2,0,0]=4 2251 B7R1.3 ClC1=CCCNC1 Amb32664386 [1,0,0,0,1,0|2,0,0]=4 2252 B7R1.3 ClC1CCCCO1 Amb17673285 [1,0,0,0,1,0|1,0,1]=4 2253 B7R1.3 FC1=CCCNC1 Amb27181097 [1,0,0,0,1,0|2,0,0]=4 2254 B7R1.3 FC1=CCCNC1 Amb28314663 [1,0,0,0,1,0|2,0,0]=4 2255 B7R1.3 FC1=CCNCC1 Amb27600797 [1,0,0,0,1,0|2,0,0]=4 2256 B7R1.3 FC1=CCNCC1 Amb33484309 [1,0,0,0,1,0|2,0,0]=4 2257 B7R1.3 FC1=COCCC1 Amb24322810 [1,0,0,0,1,0|2,0,0]=4 2258 B7R1.3 FC1CCCCO1 Amb24322826 [1,0,0,0,1,0|1,0,1]=4 2259 B7R1.3 IC1=CCCCC1 Amb27750996 [1,0,0,0,1,0|1,0,0]=3 2260 B7R1.3 IC1=CCOCC1 Amb25364046 [1,0,0,0,1,0|2,0,0]=4 2261 B7R1.3 IC1=COCCC1 Amb24322812 [1,0,0,0,1,0|2,0,0]=4 2262 B7R1.3 N=C1CCCCC1 Amb26924126 [1,0,0,0,1,0|1,0,1]=4 2263 B7R1.3 N=C1CCCCN1 Amb17616049 [1,0,0,0,1,0|2,0,0]=4 2264 B7R1.3 N=C1CCCCN1 Amb2780013 [1,0,0,0,1,0|2,0,0]=4 2265 B7R1.3 N=C1NCCCO1 Amb23597225 [1,0,0,0,1,0|2,0,0]=4 2266 B7R1.3 N=C1NCCCO1 Amb28990985 [1,0,0,0,1,0|2,0,0]=4 2267 B7R1.3 NC1=CCCCC1 Amb28456773 [1,0,0,0,1,0|1,0,0]=3 2268 B7R1.3 NC1=NCCCC1 Amb3997189 [1,0,0,0,1,0|2,0,0]=4 2269 B7R1.3 N[C@H]1CCCCO1 Amb27655590 [1,0,0,0,1,0|1,0,1]=4 2270 B7R1.3 O=C1C=CCCC1 Amb17843126 [1,0,0,0,1,0|0,0,1]=3 2271 B7R1.3 O=C1C=CCCN1 Amb22001783 [1,0,0,0,1,0|1,0,1]=4 2272 B7R1.3 O=C1C=CCCO1 Amb15693457 [1,0,0,0,1,0|0,0,2]=4 2273 B7R1.3 O=C1C=CCOC1 Amb22234519 [1,0,0,0,1,0|1,0,1]=4 2274 B7R1.3 O=C1C=CCSC1 Amb26544956 [1,0,0,0,1,0|1,0,1]=4 2275 B7R1.3 O=C1C=CNCC1 Amb2700614 [1,0,0,0,1,0|1,0,1]=4 2276 B7R1.3 O=C1C=COCC1 Amb22000873 [1,0,0,0,1,0|1,0,1]=4 2277 B7R1.3 O=C1C=CSCC1 Amb25375022 [1,0,0,0,1,0|1,0,1]=4 2278 B7R1.3 O=C1C=NCCN1 Amb28341190 [1,0,0,0,1,0|2,0,0]=4 2279 B7R1.3 O=C1CCC=CN1 Amb26365285 [1,0,0,0,1,0|1,0,1]=4 2280 B7R1.3 O=C1CCCCC1 Amb2793026 [1,0,0,0,1,0|0,0,1]=3 2281 B7R1.3 O=C1CCCCN1 Amb6892006 [1,0,0,0,1,0|1,0,0]=3 2282 B7R1.3 O=C1CCCCO1 Amb8513592 [1,0,0,0,1,0|0,0,0]=2 2283 B7R1.3 O=C1CCCCS1 Amb25186924 [1,0,0,0,1,0|0,1,0]=3 2284 B7R1.3 O=C1CCCNC1 Amb10070944 [1,0,0,0,1,0|1,0,1]=4 2285 B7R1.3 O=C1CCCNC1 Amb10602349 [1,0,0,0,1,0|1,0,1]=4 2286 B7R1.3 O=C1CCCNC1 Amb19958010 [1,0,0,0,1,0|1,0,1]=4 2287 B7R1.3 O=C1CCCNN1 Amb18061622 [1,0,0,0,1,0|2,0,0]=4 2288 B7R1.3 O=C1CCCOC1 Amb19373430 [1,0,0,0,1,0|1,0,1]=4 2289 B7R1.3 O=C1CCCON1 Amb26560803 [1,0,0,0,1,0|2,0,0]=4 2290 B7R1.3 O=C1CCCSC1 Amb13952257 [1,0,0,0,1,0|1,0,1]=4 2291 B7R1.3 O=C1CCN=CN1 Amb27447786 [1,0,0,0,1,0|2,0,0]=4 2292 B7R1.3 O=C1CCNCC1 Amb2690392 [1,0,0,0,1,0|1,0,1]=4 2293 B7R1.3 O=C1CCNCC1 Amb2793002 [1,0,0,0,1,0|1,0,1]=4 2294 B7R1.3 O=C1CCNCC1 Amb8394939 [1,0,0,0,1,0|1,0,1]=4 2295 B7R1.3 O=C1CCNCN1 Amb27458283 [1,0,0,0,1,0|2,0,0]=4 2296 B7R1.3 O=C1CCOCC1 Amb2725565 [1,0,0,0,1,0|1,0,1]=4 2297 B7R1.3 O=C1CCSCC1 Amb1154265 [1,0,0,0,1,0|1,0,1]=4 2298 B7R1.3 O=C1CNCCN1 Amb4138465 [1,0,0,0,1,0|2,0,0]=4 2299 B7R1.3 O=C1CNCCN1 Amb6334808 [1,0,0,0,1,0|2,0,0]=4 2300 B7R1.3 O=C1CNCCO1 Amb19958702 [1,0,0,0,1,0|1,0,0]=3 2301 B7R1.3 O=C1CNCCO1 Amb32410210 [1,0,0,0,1,0|1,0,0]=3 2302 B7R1.3 O=C1COCCN1 Amb15691115 [1,0,0,0,1,0|2,0,0]=4 2303 B7R1.3 O=C1COCCO1 Amb17933352 [1,0,0,0,1,0|1,0,0]=3 2304 B7R1.3 O=C1CSCCN1 Amb674722 [1,0,0,0,1,0|2,0,0]=4 2305 B7R1.3 O=C1CSCCO1 Amb28069740 [1,0,0,0,1,0|1,0,0]=3 2306 B7R1.3 O=C1CSCCS1 Amb24539369 [1,0,0,0,1,0|1,1,0]=4 2307 B7R1.3 O=C1N=CCCN1 Amb24480889 [1,0,0,0,1,0|2,0,0]=4 2308 B7R1.3 O=C1NCCCN1 Amb4034594 [1,0,0,0,1,0|2,0,0]=4 2309 B7R1.3 O=C1NCCCO1 Amb10608499 [1,0,0,0,1,0|1,0,0]=3 2310 B7R1.3 O=C1NCCCS1 Amb24117134 [1,0,0,0,1,0|1,1,0]=4 2311 B7R1.3 O=C1NNCCO1 Amb32683554 [1,0,0,0,1,0|2,0,0]=4 2312 B7R1.3 O=C1OCCCO1 Amb4034896 [1,0,0,0,1,0|1,0,0]=3 2313 B7R1.3 O=S1OCCCO1 Amb20240777 [1,0,0,0,1,0|2,0,0]=4 2314 B7R1.3 OC1CCCCO1 Amb8517292 [1,0,0,0,1,0|0,0,2]=4 2315 B7R1.3 S=C1CCCCN1 Amb5720520 [1,0,0,0,1,0|1,1,0]=4 2316 B7R1.3 S=C1NCCCO1 Amb22524560 [1,0,0,0,1,0|1,1,0]=4 2317 B7R1.3 SC1=COCCC1 Amb33319911 [1,0,0,0,1,0|1,1,0]=4 2318 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [0,0,0,0,2,0|2,0,0]=4 2319 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [0,0,0,0,2,0|2,0,0]=4 2320 B7R1.2 CC1CCC(=O)O1 Amb6298321 [0,0,0,0,2,0|1,0,1]=4 2321 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [0,0,0,0,2,0|1,0,1]=4 2322 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [0,0,0,0,2,0|1,0,1]=4 2323 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [0,0,0,0,2,0|2,0,0]=4 2324 B7R1.2 NC1CCC(=O)O1 Amb17593085 [0,0,0,0,2,0|1,0,1]=4 2325 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [0,0,0,0,2,0|2,0,0]=4 2326 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [0,0,0,0,2,0|2,0,0]=4 2327 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [0,0,0,0,2,0|1,0,1]=4 2328 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [0,0,0,0,2,0|0,0,2]=4 2329 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [0,0,0,0,2,0|0,0,2]=4 2330 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [0,0,0,0,2,0|1,0,0]=3 2331 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [0,0,0,0,2,0|1,0,0]=3 2332 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [0,0,0,0,2,0|0,0,0]=2 2333 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [0,0,0,0,2,0|0,1,0]=3 2334 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [0,0,0,0,2,0|1,1,0]=4 2335 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [0,0,0,0,2,0|1,0,1]=4 2336 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [0,0,0,0,2,0|1,0,1]=4 2337 B7R1.2 O=C1CCC(O)O1 Amb22740957 [0,0,0,0,2,0|0,0,2]=4 2338 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [0,0,0,0,2,0|2,0,0]=4 2339 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [0,0,0,0,2,0|2,0,0]=4 2340 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [0,0,0,0,2,0|2,0,0]=4 2341 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [0,0,0,0,2,0|1,0,0]=3 2342 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [0,0,0,0,2,0|1,1,0]=4 2343 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [0,0,0,0,2,0|1,1,0]=4 2344 B7R1.2 O=C1COC(=O)C1 Amb2721303 [0,0,0,0,2,0|2,0,0]=4 2345 B7R1.2 O=C1COC(=O)N1 Amb1625991 [0,0,0,0,2,0|2,0,0]=4 2346 B7R1.2 O=C1COC(=O)O1 Amb27837383 [0,0,0,0,2,0|1,0,0]=3 2347 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [0,0,0,0,2,0|2,0,0]=4 2348 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [0,0,0,0,2,0|2,0,0]=4 2349 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [0,0,0,0,2,0|2,0,0]=4 2350 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [0,0,0,0,2,0|2,0,0]=4 2351 B7R1.4 BrC1=C(Br)CCC1 Amb8389430 [0,0,0,0,2,0|2,0,0]=4 2352 B7R1.4 C=C1CCCC1=O Amb17593061 [0,0,0,0,2,0|1,0,0]=3 2353 B7R1.4 C=C1CCNC1=O Amb26415156 [0,0,0,0,2,0|2,0,0]=4 2354 B7R1.4 C=C1CCOC1=O Amb3941636 [0,0,0,0,2,0|2,0,0]=4 2355 B7R1.4 CC1=C(Br)CCC1 Amb24479762 [0,0,0,0,2,0|2,0,0]=4 2356 B7R1.4 CC1=C(C)CCC1 Amb22227705 [0,0,0,0,2,0|2,0,0]=4 2357 B7R1.4 CC1=CCCC1=O Amb8514958 [0,0,0,0,2,0|1,0,1]=4 2358 B7R1.4 CC1CCCC1=O Amb8514830 [0,0,0,0,2,0|1,0,1]=4 2359 B7R1.4 CN1CCCC1=O Amb22493780 [0,0,0,0,2,0|2,0,0]=4 2360 B7R1.4 CN1CCCC1=O Amb6608842 [0,0,0,0,2,0|2,0,0]=4 2361 B7R1.4 C[C@H]1CCCC1=O Amb27640064 [0,0,0,0,2,0|1,0,1]=4 2362 B7R1.4 NC1CCCC1=O Amb17939050 [0,0,0,0,2,0|1,0,1]=4 2363 B7R1.4 NC1CCCC1=O Amb28994832 [0,0,0,0,2,0|1,0,1]=4 2364 B7R1.4 NN1CCCC1=O Amb8496496 [0,0,0,0,2,0|2,0,0]=4 2365 B7R1.4 NN1CCCC1=O Amb9174227 [0,0,0,0,2,0|2,0,0]=4 2366 B7R1.4 O=C1CCC=C1Br Amb10067494 [0,0,0,0,2,0|1,0,1]=4 2367 B7R1.4 O=C1CCC=C1I Amb26585706 [0,0,0,0,2,0|1,0,1]=4 2368 B7R1.4 O=C1CCC=C1O Amb17593067 [0,0,0,0,2,0|0,0,2]=4 2369 B7R1.4 O=C1CCCC1=O Amb24053064 [0,0,0,0,2,0|0,0,0]=2 2370 B7R1.4 O=C1CCCC1Br Amb16234114 [0,0,0,0,2,0|1,0,1]=4 2371 B7R1.4 O=C1CCCC1Cl Amb3939970 [0,0,0,0,2,0|1,0,1]=4 2372 B7R1.4 O=C1CCCC1F Amb28050533 [0,0,0,0,2,0|1,0,1]=4 2373 B7R1.4 O=C1CCCC1I Amb25756212 [0,0,0,0,2,0|1,0,1]=4 2374 B7R1.4 O=C1CCCC1O Amb17593081 [0,0,0,0,2,0|0,0,2]=4 2375 B7R1.4 O=C1CCCC1S Amb27838260 [0,0,0,0,2,0|0,1,1]=4 2376 B7R1.4 O=C1CCCN1O Amb33484242 [0,0,0,0,2,0|1,0,1]=4 2377 B7R1.4 O=C1CCC[C@@H]1F Amb35788466 [0,0,0,0,2,0|1,0,1]=4 2378 B7R1.4 O=C1CCC[C@H]1F Amb25834416 [0,0,0,0,2,0|1,0,1]=4 2379 B7R1.4 O=C1CCNC1=O Amb21858086 [0,0,0,0,2,0|1,0,0]=3 2380 B7R1.4 O=C1CCOC1=O Amb27849805 [0,0,0,0,2,0|1,0,0]=3 2381 B9R0.24 C=C(CC)CCC(=O)CC Amb27760965 [0,0,1,0,0,1|2,0,0]=4 2382 B9R0.24 CCC(=O)CCC(=O)CC Amb8391992 [0,0,1,0,0,1|1,0,0]=3 2383 B9R0.24 CCC(=O)CNC(=O)CCl Amb24725631 [0,0,1,0,0,1|2,0,0]=4 2384 B9R0.24 CCC(=O)CNC(=O)CO Amb27448700 [0,0,1,0,0,1|2,0,0]=4 2385 B9R0.24 CCC(=O)COC(=O)CC Amb27598340 [0,0,1,0,0,1|0,0,0]=2 2386 B9R0.24 CCC(=O)COC(C)CC Amb27395562 [0,0,1,0,0,1|1,0,1]=4 2387 B9R0.24 CCC(=O)NNC(=O)CC Amb22347723 [0,0,1,0,0,1|1,0,0]=3 2388 B9R0.24 CCC(=O)NNC(=O)CCl Amb16186696 [0,0,1,0,0,1|2,0,0]=4 2389 B9R0.24 CCC(=O)NNC(=O)CN Amb17334235 [0,0,1,0,0,1|2,0,0]=4 2390 B9R0.24 CCC(=O)OCC(Br)CC Amb33276519 [0,0,1,0,0,1|1,0,1]=4 2391 B9R0.24 CC\C(Cl)=N\OC(=O)NC Amb26074980 [0,0,1,0,0,1|2,0,0]=4 2392 B9R0.24 CNC(=O)COC(=O)CO Amb28315993 [0,0,1,0,0,1|2,0,0]=4 2393 B9R0.24 COC(=O)COC(=O)CO Amb28206230 [0,0,1,0,0,1|2,0,0]=4 2394 B11R1.144 O=C1CCC(=O)NCCCN1 Amb28077541 [0,0,0,0,0,2|2,0,0]=4 2395 B11R1.145 O=C1CCCOC(=O)CCC1 Amb28074815 [0,0,0,0,0,2|2,0,0]=4 2396 B11R1.107 CC1=CCCCCCC(=O)C1 Amb28381149 [0,0,0,0,0,2|2,0,0]=4 2397 B11R1.107 O=C1C=CCCCCC(=O)C1 Amb28144181 [0,0,0,0,0,2|1,0,0]=3 2398 B11R1.107 O=C1CCCCCCC(=O)C1 Amb17593852 [0,0,0,0,0,2|1,0,0]=3 2399 B11R1.107 O=C1CCCCCCC(=O)O1 Amb27437831 [0,0,0,0,0,2|0,0,0]=2