0 B7R0.2 C#CC(C)CC(=O)O Amb27246384 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.2 C#CC(C)OC(C)=O Amb28048994 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.2 C#C\C(C)=C\C(=O)O Amb27950241 [0,0,0,0,0,0|0,0,4]=4 4 B7R0.2 C=C(Br)CC(O)CO Amb27206509 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.2 C=C(Br)CN(C)OC Amb27166672 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.2 C=C(Br)C[C@@H](C)C=O Amb28381143 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.2 C=C(Br)C[C@@H](C)CO Amb28069642 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.2 C=C(Br)C[C@H](C)CO Amb27196706 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.2 C=C(C)CC(=O)CC Amb27600284 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.2 C=C(C)CC(C)C=O Amb18641711 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.2 C=C(C)CC(C)CBr Amb32688065 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.2 C=C(C)CC(C)CC Amb22228340 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.2 C=C(C)CC(C)CCl Amb32688064 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.2 C=C(C)CC(F)CO Amb28079110 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.2 C=C(C)CC(N)CO Amb24665584 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.2 C=C(C)CC(O)CN Amb33199504 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.2 C=C(C)C[C@H](N)CO Amb27633094 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.2 C=C(C)OC(C)CCl Amb27461428 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.2 C=C(CC)CC(C)O Amb27477686 [0,0,0,0,0,0|1,0,3]=4 21 B7R0.2 C=C(CC)CC(N)=O Amb27394598 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.2 C=C(CC)OC(C)=O Amb25202254 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.2 C=C(Cl)CC(C)CBr Amb32688072 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.2 C=C(Cl)CC(C)CCl Amb32688071 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.2 C=C(Cl)C[C@H](O)CO Amb24560451 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.2 C=C(O)\C=C(/C)OC Amb27635019 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [0,0,0,0,0,0|0,0,2]=2 28 B7R0.2 C=CC(C)CC(C)=O Amb27759897 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.2 C=CC(C)CC(N)=O Amb27168118 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.2 C=CC(C)NC(C)=O Amb27236925 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.2 C=CC(C)NC(O)=S Amb27208910 [0,0,0,0,0,0|1,1,2]=4 32 B7R0.2 C=CC(C)OC(C)=O Amb4016456 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [0,0,0,0,0,0|0,0,2]=2 37 B7R0.2 C=C[C@@H](C)C[C@@H](C)O Amb28138655 [0,0,0,0,0,0|1,0,3]=4 38 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [0,0,0,0,0,0|1,0,2]=3 39 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [0,0,0,0,0,0|0,0,2]=2 40 B7R0.2 C=C[C@H](C)C[C@H](C)O Amb27221624 [0,0,0,0,0,0|1,0,3]=4 41 B7R0.2 C=C\C(C)=C/C(=O)O Amb18641686 [0,0,0,0,0,0|0,0,4]=4 42 B7R0.2 CC(=O)CC(=O)CO Amb28316150 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.2 CC(=O)CC(C)C#N Amb18124227 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.2 CC(=O)CC(C)CCl Amb28313530 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.2 CC(=O)CC(C)CN Amb18251072 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.2 CC(=O)CC(N)CO Amb27240210 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.2 CC(=O)CC(O)CCl Amb27827457 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.2 CC(=O)CN(C)N=O Amb27488722 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.2 CC(=O)C[C@@H](O)CCl Amb27817734 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.2 CC(=O)C\C(C)=N\N Amb28048941 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.2 CC(=O)C\C(C)=N\O Amb26568890 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.2 CC(=O)NC(C)C#N Amb17399792 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.2 CC(=O)NC(C)CCl Amb33542146 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.2 CC(=O)NC(C)CO Amb9276356 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.2 CC(=O)N[C@@H](C)CN Amb27768700 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.2 CC(=O)N[C@@H](C)CO Amb26515722 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.2 CC(=O)N[C@H](C)C=O Amb27838347 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.2 CC(=O)N[C@H](C)CO Amb24426644 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.2 CC(=O)OC(Br)CBr Amb21520423 [0,0,0,0,0,0|4,0,0]=4 63 B7R0.2 CC(=O)OC(C)C#N Amb17593174 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.2 CC(=O)OC(C)C=O Amb18641863 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.2 CC(=O)OC(C)CBr Amb26477506 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.2 CC(=O)OC(C)CN Amb27838841 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.2 CC(=O)OC(F)CBr Amb28239801 [0,0,0,0,0,0|4,0,0]=4 68 B7R0.2 CC(=O)OC(F)CCl Amb27473993 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.2 CC(=O)OC(O)CN Amb27839430 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.2 CC(=O)O[C@H](C)C=O Amb28422009 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.2 CC(=O)SC(C)CBr Amb27983834 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.2 CC(=O)SC(C)CCl Amb27253145 [0,0,0,0,0,0|3,0,0]=3 73 B7R0.2 CC(=O)\C=C(/C)CO Amb25240045 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.2 CC(=O)\C=C(\C)CO Amb24518297 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.2 CC(Br)CC(C)CO Amb27477984 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [0,0,0,0,0,0|1,0,1]=2 77 B7R0.2 CC(C#N)CC(=O)[O-] Amb32952895 [0,0,0,0,0,0|1,0,2]=3 78 B7R0.2 CC(C#N)NC(N)=O Amb25290804 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.2 CC(C)=CC(C)CO Amb28318182 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.2 CC(C)CC(C)CBr Amb22641845 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.2 CC(C)CC(C)CCl Amb25741744 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.2 CC(C)CC(C)CI Amb27409447 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.2 CC(C)CC(C)CN Amb8950132 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.2 CC(C)CC(C)CO Amb22228341 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.2 CC(C)CC(C)CS Amb26032846 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.2 CC(C)C[C@@H](C)CBr Amb27483719 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.2 CC(C)C[C@@H](C)CN Amb33738463 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.2 CC(C)C[C@@H](C)CO Amb26613066 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.2 CC(C)C[C@H](C)CBr Amb27411125 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.2 CC(C)C[C@H](C)CN Amb33747134 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.2 CC(C)C[C@H](C)CO Amb26022305 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.2 CC(CBr)CC(F)F Amb27463689 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.2 CC(CC(=O)O)NN Amb28346224 [0,0,0,0,0,0|2,0,0]=2 94 B7R0.2 CC(CC(=O)O)NN Amb33141007 [0,0,0,0,0,0|2,0,0]=2 95 B7R0.2 CC(CCl)CC(=O)Cl Amb27949867 [0,0,0,0,0,0|2,0,0]=2 96 B7R0.2 CC(CCl)CC(F)F Amb32688140 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.2 CC(CCl)CN(C)C Amb8513655 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.2 CC(CCl)CS(=O)Cl Amb32720419 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.2 CC(CCl)CS(=O)[O-] Amb32754348 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.2 CC(CCl)CS(N)=O Amb32720421 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.2 CC(CCl)C[SiH](C)Cl Amb27984893 [0,0,0,0,0,0|3,1,0]=4 102 B7R0.2 CC(CCl)N=C(Cl)Cl Amb28283916 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.2 CC(CCl)OC(=O)Cl Amb27482960 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.2 CC(CCl)OC(=O)F Amb27424209 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.2 CC(CF)CC(=O)O Amb25990964 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.2 CC(CI)CC(F)F Amb35636652 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.2 CC(CN)CB(O)O Amb27166460 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.2 CC(CN)CC(=O)O Amb18124263 [0,0,0,0,0,0|1,0,0]=1 109 B7R0.2 CC(CN)CC(=O)O Amb20669501 [0,0,0,0,0,0|1,0,0]=1 110 B7R0.2 CC(CN)CC(=O)O Amb32752805 [0,0,0,0,0,0|1,0,0]=1 111 B7R0.2 CC(CN)CC(F)F Amb25904828 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.2 CC(CN)CC(F)F Amb28920984 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.2 CC(CN)CC(N)=O Amb18641899 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.2 CC(CN)CN(C)C Amb5751521 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.2 CC(CN)CP(O)O Amb27838320 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.2 CC(CN)NC(=N)N Amb28250823 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.2 CC(CN)NC(N)=O Amb18202682 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.2 CC(CN)O[PH](=O)O Amb28388782 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.2 CC(CO)CC(=O)O Amb18198168 [0,0,0,0,0,0|1,0,0]=1 120 B7R0.2 CC(CO)CC(=O)[O-] Amb33329956 [0,0,0,0,0,0|1,0,1]=2 121 B7R0.2 CC(CO)CC(F)F Amb25738045 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.2 CC(CO)CN(C)C Amb8428170 [0,0,0,0,0,0|4,0,0]=4 123 B7R0.2 CC(CO)C[SiH](C)C Amb27662162 [0,0,0,0,0,0|3,1,0]=4 124 B7R0.2 CC(CO)NS(C)=O Amb28286003 [0,0,0,0,0,0|4,0,0]=4 125 B7R0.2 CC(CO)OC(N)=O Amb26402233 [0,0,0,0,0,0|3,0,0]=3 126 B7R0.2 CC(CO)OP(O)O Amb27982304 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.2 CC(CO)O[N+](=O)[O-] Amb33299443 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.2 CC(CS)CC(F)F Amb35636158 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.2 CC(Cl)CC(C)CN Amb27856217 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.2 CC(N)CC(C)CO Amb35593039 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.2 CC(O)CC(C)CN Amb19337142 [0,0,0,0,0,0|2,0,1]=3 132 B7R0.2 CC(O)CC(O)CF Amb27978648 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.2 CC(O)C[C@H](C)CO Amb27394893 [0,0,0,0,0,0|2,0,1]=3 134 B7R0.2 CC(O)C[C@H](O)CO Amb27397070 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [0,0,0,0,0,0|1,0,1]=2 136 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [0,0,0,0,0,0|2,0,1]=3 137 B7R0.2 CCC(=O)CC(N)=O Amb8384375 [0,0,0,0,0,0|2,0,1]=3 138 B7R0.2 CCC(=O)CC(O)O Amb28316114 [0,0,0,0,0,0|1,0,3]=4 139 B7R0.2 CCC(=O)CS(C)=O Amb27464042 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.2 CCC(=O)C[C@@H](C)O Amb28316195 [0,0,0,0,0,0|2,0,2]=4 141 B7R0.2 CCC(=O)NC(C)=O Amb27800787 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.2 CCC(=O)NC(N)=O Amb27643460 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.2 CCC(=O)OC(C)=O Amb21858081 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.2 CCC(Br)C=C(C)C Amb27831341 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.2 CCC(C)CB(O)O Amb27591902 [0,0,0,0,0,0|1,0,1]=2 146 B7R0.2 CCC(C)CC(=N)N Amb10607625 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.2 CCC(C)CC(=N)N Amb19890168 [0,0,0,0,0,0|2,0,0]=2 148 B7R0.2 CCC(C)CC(=O)Cl Amb10844649 [0,0,0,0,0,0|1,0,0]=1 149 B7R0.2 CCC(C)CC(=O)O Amb2689581 [0,0,0,0,0,0|0,0,0]=0 150 B7R0.2 CCC(C)CC(C)=O Amb10608208 [0,0,0,0,0,0|1,0,0]=1 151 B7R0.2 CCC(C)CC(C)Br Amb24757470 [0,0,0,0,0,0|2,0,1]=3 152 B7R0.2 CCC(C)CC(C)C Amb22228298 [0,0,0,0,0,0|2,0,1]=3 153 B7R0.2 CCC(C)CC(C)Cl Amb27639190 [0,0,0,0,0,0|2,0,1]=3 154 B7R0.2 CCC(C)CC(C)N Amb10069423 [0,0,0,0,0,0|2,0,1]=3 155 B7R0.2 CCC(C)CC(C)N Amb3940647 [0,0,0,0,0,0|2,0,1]=3 156 B7R0.2 CCC(C)CC(C)O Amb4035421 [0,0,0,0,0,0|1,0,1]=2 157 B7R0.2 CCC(C)CC(N)=O Amb25230669 [0,0,0,0,0,0|1,0,0]=1 158 B7R0.2 CCC(C)CC(N)=S Amb26989527 [0,0,0,0,0,0|1,1,0]=2 159 B7R0.2 CCC(C)CN(C)O Amb33373890 [0,0,0,0,0,0|2,0,0]=2 160 B7R0.2 CCC(C)CS(=O)Cl Amb32720505 [0,0,0,0,0,0|2,0,0]=2 161 B7R0.2 CCC(C)CS(=O)[O-] Amb27408549 [0,0,0,0,0,0|1,0,1]=2 162 B7R0.2 CCC(C)CS(C)=O Amb27837877 [0,0,0,0,0,0|2,0,0]=2 163 B7R0.2 CCC(C)CS(N)=O Amb32720506 [0,0,0,0,0,0|2,0,0]=2 164 B7R0.2 CCC(C)C[C@@H](C)N Amb29854163 [0,0,0,0,0,0|2,0,1]=3 165 B7R0.2 CCC(C)C[C@@H](C)O Amb33318318 [0,0,0,0,0,0|1,0,1]=2 166 B7R0.2 CCC(C)C[C@H](C)N Amb29854162 [0,0,0,0,0,0|2,0,1]=3 167 B7R0.2 CCC(C)C[C@H](C)O Amb33318389 [0,0,0,0,0,0|1,0,1]=2 168 B7R0.2 CCC(C)C[N+](=O)[O-] Amb25075983 [0,0,0,0,0,0|1,0,1]=2 169 B7R0.2 CCC(C)NC(=O)Cl Amb27838339 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.2 CCC(C)NC(C)=O Amb3358085 [0,0,0,0,0,0|2,0,0]=2 171 B7R0.2 CCC(C)NC(C)C Amb6685536 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.2 CCC(C)NC(N)=O Amb9702507 [0,0,0,0,0,0|2,0,0]=2 173 B7R0.2 CCC(C)NC(N)=S Amb378358 [0,0,0,0,0,0|2,1,0]=3 174 B7R0.2 CCC(C)NS(C)=O Amb27245049 [0,0,0,0,0,0|3,0,0]=3 175 B7R0.2 CCC(C)OC(=O)Cl Amb22168283 [0,0,0,0,0,0|2,0,0]=2 176 B7R0.2 CCC(C)O[N+](=O)[O-] Amb25088971 [0,0,0,0,0,0|2,0,1]=3 177 B7R0.2 CCC(C)SC(=O)Cl Amb22350350 [0,0,0,0,0,0|2,0,0]=2 178 B7R0.2 CCC(Cl)CC(C)=O Amb28121450 [0,0,0,0,0,0|2,0,0]=2 179 B7R0.2 CCC(Cl)CC(C)C Amb28399717 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.2 CCC(Cl)CC(C)Cl Amb28076666 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.2 CCC(Cl)OC(C)=O Amb27392214 [0,0,0,0,0,0|3,0,0]=3 182 B7R0.2 CCC(Cl)SC(=O)Cl Amb27945612 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.2 CCC(Cl)SC(C)=O Amb27407733 [0,0,0,0,0,0|3,0,0]=3 184 B7R0.2 CCC(N)C=C(C)C Amb27450297 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.2 CCC(N)CC(=O)O Amb1993862 [0,0,0,0,0,0|1,0,0]=1 186 B7R0.2 CCC(N)CC(=O)O Amb8631361 [0,0,0,0,0,0|1,0,0]=1 187 B7R0.2 CCC(N)CC(C)=O Amb18631696 [0,0,0,0,0,0|2,0,0]=2 188 B7R0.2 CCC(N)CC(C)=O Amb26895708 [0,0,0,0,0,0|2,0,0]=2 189 B7R0.2 CCC(N)CC(C)C Amb18523780 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.2 CCC(N)CC(C)O Amb27604743 [0,0,0,0,0,0|2,0,1]=3 191 B7R0.2 CCC(N)CC(F)F Amb28200428 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.2 CCC(N)CC(N)=O Amb25727686 [0,0,0,0,0,0|2,0,0]=2 193 B7R0.2 CCC(N)CC(N)=S Amb28078345 [0,0,0,0,0,0|2,1,0]=3 194 B7R0.2 CCC(N)CN(C)C Amb9763888 [0,0,0,0,0,0|4,0,0]=4 195 B7R0.2 CCC(O)CC(=O)O Amb10844270 [0,0,0,0,0,0|1,0,0]=1 196 B7R0.2 CCC(O)CC(C)=O Amb25065181 [0,0,0,0,0,0|2,0,0]=2 197 B7R0.2 CCC(O)CC(C)N Amb35591053 [0,0,0,0,0,0|3,0,1]=4 198 B7R0.2 CCC(O)CC(C)O Amb26515705 [0,0,0,0,0,0|2,0,1]=3 199 B7R0.2 CCC(O)CC(C)S Amb27766599 [0,0,0,0,0,0|2,1,1]=4 200 B7R0.2 CCC(O)CN(C)C Amb9787532 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.2 CCC(O)CN(C)N Amb27472509 [0,0,0,0,0,0|4,0,0]=4 202 B7R0.2 CCC(O)CS(C)=O Amb28457838 [0,0,0,0,0,0|3,0,0]=3 203 B7R0.2 CCC(O)C[N+](=O)[O-] Amb25136685 [0,0,0,0,0,0|2,0,1]=3 204 B7R0.2 CCC(O)OC(C)=O Amb28256771 [0,0,0,0,0,0|3,0,0]=3 205 B7R0.2 CCC(S)CN(C)C Amb26512113 [0,0,0,0,0,0|4,0,0]=4 206 B7R0.2 CCC(S)NC(=N)N Amb27804188 [0,0,0,0,0,0|4,0,0]=4 207 B7R0.2 CCN(C)CC(=N)N Amb8890870 [0,0,0,0,0,0|3,0,0]=3 208 B7R0.2 CCN(C)CC(=O)O Amb33620688 [0,0,0,0,0,0|1,0,0]=1 209 B7R0.2 CCN(C)CC(=O)O Amb8428140 [0,0,0,0,0,0|1,0,0]=1 210 B7R0.2 CCN(C)CC(C)=O Amb8427987 [0,0,0,0,0,0|2,0,0]=2 211 B7R0.2 CCN(C)CC(C)=O Amb9173327 [0,0,0,0,0,0|2,0,0]=2 212 B7R0.2 CCN(C)CC(C)Br Amb27878851 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.2 CCN(C)CC(C)O Amb17334070 [0,0,0,0,0,0|2,0,1]=3 214 B7R0.2 CCN(C)CC(N)=O Amb27639873 [0,0,0,0,0,0|2,0,0]=2 215 B7R0.2 CCN(C)C[C@@H](C)O Amb28316159 [0,0,0,0,0,0|2,0,1]=3 216 B7R0.2 CCN(C)N=C(C)C Amb28128883 [0,0,0,0,0,0|4,0,0]=4 217 B7R0.2 CCN(O)CC(=O)O Amb28195485 [0,0,0,0,0,0|2,0,0]=2 218 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,0,0,0,0,0|2,0,0]=2 219 B7R0.2 CCS(=O)CC(C)=O Amb26873160 [0,0,0,0,0,0|3,0,0]=3 220 B7R0.2 CCS(=O)CC(N)=O Amb27762121 [0,0,0,0,0,0|3,0,0]=3 221 B7R0.2 CC[C@@H](C)CC(=O)O Amb2696314 [0,0,0,0,0,0|0,0,0]=0 222 B7R0.2 CC[C@@H](C)NC(C)=S Amb28119994 [0,0,0,0,0,0|2,1,0]=3 223 B7R0.2 CC[C@@H](C)NC(N)=S Amb27468074 [0,0,0,0,0,0|2,1,0]=3 224 B7R0.2 CC[C@@H](Cl)C[C@@H](C)Cl Amb27984838 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.2 CC[C@@H](Cl)C[C@H](C)Cl Amb28118942 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.2 CC[C@@H](N)CC(=O)O Amb22225305 [0,0,0,0,0,0|1,0,0]=1 227 B7R0.2 CC[C@@H](N)CC(=O)O Amb8397198 [0,0,0,0,0,0|1,0,0]=1 228 B7R0.2 CC[C@@H](N)CN(C)C Amb22587558 [0,0,0,0,0,0|4,0,0]=4 229 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [0,0,0,0,0,0|1,0,0]=1 230 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [0,0,0,0,0,0|2,0,0]=2 231 B7R0.2 CC[C@@H](O)CC(C)C Amb27603599 [0,0,0,0,0,0|3,0,1]=4 232 B7R0.2 CC[C@@H](O)C[C@@H](C)O Amb4166323 [0,0,0,0,0,0|2,0,1]=3 233 B7R0.2 CC[C@@H](O)C[C@H](C)O Amb27946301 [0,0,0,0,0,0|2,0,1]=3 234 B7R0.2 CC[C@H](C)CC(=O)O Amb2696313 [0,0,0,0,0,0|0,0,0]=0 235 B7R0.2 CC[C@H](C)CC(C)O Amb27437194 [0,0,0,0,0,0|1,0,1]=2 236 B7R0.2 CC[C@H](C)NC(=N)N Amb27618574 [0,0,0,0,0,0|3,0,0]=3 237 B7R0.2 CC[C@H](C)NC(N)=S Amb25922529 [0,0,0,0,0,0|2,1,0]=3 238 B7R0.2 CC[C@H](C)OC(=N)N Amb27985381 [0,0,0,0,0,0|3,0,0]=3 239 B7R0.2 CC[C@H](N)CC(=O)O Amb22226650 [0,0,0,0,0,0|1,0,0]=1 240 B7R0.2 CC[C@H](N)CC(=O)O Amb8397197 [0,0,0,0,0,0|1,0,0]=1 241 B7R0.2 CC[C@H](N)CN(C)C Amb22587381 [0,0,0,0,0,0|4,0,0]=4 242 B7R0.2 CC[C@H](N)CN(C)C Amb23385277 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [0,0,0,0,0,0|1,0,0]=1 244 B7R0.2 CC[C@H](O)CC(C)=O Amb26980782 [0,0,0,0,0,0|2,0,0]=2 245 B7R0.2 CC[C@H](O)C[C@@H](C)O Amb27790287 [0,0,0,0,0,0|2,0,1]=3 246 B7R0.2 CC\C(Br)=C\C(=O)O Amb27409320 [0,0,0,0,0,0|1,0,2]=3 247 B7R0.2 CC\C(C)=C/C(=O)O Amb18281014 [0,0,0,0,0,0|0,0,2]=2 248 B7R0.2 CC\C(C)=C/C(C)=O Amb27424977 [0,0,0,0,0,0|1,0,2]=3 249 B7R0.2 CC\C(C)=C\C(=O)O Amb33528462 [0,0,0,0,0,0|0,0,2]=2 250 B7R0.2 CC\C(C)=C\C(C)=O Amb27985733 [0,0,0,0,0,0|1,0,2]=3 251 B7R0.2 CC\C(C)=C\C(C)O Amb28128461 [0,0,0,0,0,0|1,0,3]=4 252 B7R0.2 CC\C(C)=N\S(C)=O Amb35675187 [0,0,0,0,0,0|3,0,1]=4 253 B7R0.2 CC\C(F)=C/C(=O)O Amb27780201 [0,0,0,0,0,0|1,0,2]=3 254 B7R0.2 CC\C(N)=C\C(=O)O Amb28145108 [0,0,0,0,0,0|1,0,2]=3 255 B7R0.2 CC\C(N)=C\C(N)=O Amb27621383 [0,0,0,0,0,0|2,0,2]=4 256 B7R0.2 CC\C(N)=N\C(C)=O Amb27391863 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [0,0,0,0,0,0|1,0,2]=3 258 B7R0.2 CC\C(S)=C\C(C)=O Amb27775797 [0,0,0,0,0,0|2,0,2]=4 259 B7R0.2 CC\C([O-])=C\C(C)=O Amb19960031 [0,0,0,0,0,0|2,0,2]=4 260 B7R0.2 CN(C=O)CC(N)=O Amb27471534 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.2 CN(CC(=O)O)N=O Amb17618622 [0,0,0,0,0,0|3,0,0]=3 262 B7R0.2 CN(CO)CC(=O)O Amb27663224 [0,0,0,0,0,0|2,0,0]=2 263 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [0,0,0,0,0,0|2,0,1]=3 264 B7R0.2 CNC(=O)CC(=O)[O-] Amb35747299 [0,0,0,0,0,0|2,0,2]=4 265 B7R0.2 CNC(=O)CC(C)=O Amb6891968 [0,0,0,0,0,0|3,0,1]=4 266 B7R0.2 CNC(=S)CC(C)=O Amb24096719 [0,0,0,0,0,0|3,0,1]=4 267 B7R0.2 CNC(C)CC(=N)N Amb27815687 [0,0,0,0,0,0|3,0,0]=3 268 B7R0.2 CNC(C)CC(=O)O Amb21959674 [0,0,0,0,0,0|1,0,0]=1 269 B7R0.2 CNC(C)CC(=O)O Amb9398363 [0,0,0,0,0,0|1,0,0]=1 270 B7R0.2 CNC(C)CC(C)Br Amb28063225 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.2 CNC(C)CC(C)C Amb6892568 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.2 CNC(C)CC(C)C Amb9705224 [0,0,0,0,0,0|3,0,1]=4 273 B7R0.2 CNC(C)CC(C)Cl Amb27410758 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.2 CNC(C)CC(C)O Amb27230907 [0,0,0,0,0,0|2,0,1]=3 275 B7R0.2 CNC(C)CC(F)F Amb24476603 [0,0,0,0,0,0|3,0,1]=4 276 B7R0.2 CNC(C)CC(F)F Amb33482832 [0,0,0,0,0,0|3,0,1]=4 277 B7R0.2 CNC(C)CC(N)=O Amb17231826 [0,0,0,0,0,0|2,0,0]=2 278 B7R0.2 CNC(C)CC(N)=O Amb19960012 [0,0,0,0,0,0|2,0,0]=2 279 B7R0.2 CNC(C)CS(C)=O Amb24410768 [0,0,0,0,0,0|3,0,0]=3 280 B7R0.2 CN[C@@H](C)CN(C)C Amb28429803 [0,0,0,0,0,0|4,0,0]=4 281 B7R0.2 CN[C@H](C)CC(=O)O Amb25339129 [0,0,0,0,0,0|1,0,0]=1 282 B7R0.2 CN[C@H](C)CN(C)C Amb27595678 [0,0,0,0,0,0|4,0,0]=4 283 B7R0.2 CN\C(C)=C/C(C)=O Amb15691784 [0,0,0,0,0,0|2,0,2]=4 284 B7R0.2 CN\C(C)=C\C(C)=O Amb27486166 [0,0,0,0,0,0|2,0,2]=4 285 B7R0.2 COC(=O)CC(=O)Cl Amb3939073 [0,0,0,0,0,0|3,0,1]=4 286 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,0,0,0,0,0|2,0,1]=3 287 B7R0.2 COC(=O)CC(=O)[O-] Amb2780363 [0,0,0,0,0,0|2,0,2]=4 288 B7R0.2 COC(=O)CC(=O)[O-] Amb34915950 [0,0,0,0,0,0|2,0,2]=4 289 B7R0.2 COC(=O)CC(C)=O Amb6608655 [0,0,0,0,0,0|3,0,1]=4 290 B7R0.2 COC(=O)CC(N)=O Amb22043417 [0,0,0,0,0,0|3,0,1]=4 291 B7R0.2 COC(=S)CC(N)=O Amb27230798 [0,0,0,0,0,0|3,0,1]=4 292 B7R0.2 COC(C)C=C(Br)Br Amb27226095 [0,0,0,0,0,0|3,0,1]=4 293 B7R0.2 COC(C)CC(=O)O Amb4001695 [0,0,0,0,0,0|1,0,0]=1 294 B7R0.2 COC(C)CC(C)=O Amb26512071 [0,0,0,0,0,0|2,0,0]=2 295 B7R0.2 COC(C)CC(C)Cl Amb27233539 [0,0,0,0,0,0|3,0,1]=4 296 B7R0.2 COC(C)CC(C)N Amb27194304 [0,0,0,0,0,0|3,0,1]=4 297 B7R0.2 COC(C)CC(C)O Amb22757067 [0,0,0,0,0,0|2,0,1]=3 298 B7R0.2 COC(C)CC(N)=O Amb27838372 [0,0,0,0,0,0|2,0,0]=2 299 B7R0.2 COC(C)CN(C)N Amb27169903 [0,0,0,0,0,0|4,0,0]=4 300 B7R0.2 COC(C)CS(=O)Cl Amb32720528 [0,0,0,0,0,0|3,0,0]=3 301 B7R0.2 COC(C)CS(=O)[O-] Amb25690482 [0,0,0,0,0,0|2,0,1]=3 302 B7R0.2 COC(C)CS(N)=O Amb32720534 [0,0,0,0,0,0|3,0,0]=3 303 B7R0.2 COC(C)NC(C)=O Amb27839138 [0,0,0,0,0,0|3,0,0]=3 304 B7R0.2 CON(C)CC(=O)O Amb8010467 [0,0,0,0,0,0|2,0,0]=2 305 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [0,0,0,0,0,0|1,0,0]=1 306 B7R0.2 CO[C@H](C)CC(C)=O Amb26494510 [0,0,0,0,0,0|2,0,0]=2 307 B7R0.2 CO\C(C)=C/C(=O)O Amb2611888 [0,0,0,0,0,0|1,0,2]=3 308 B7R0.2 CO\C(C)=C/C(C)=O Amb28145644 [0,0,0,0,0,0|2,0,2]=4 309 B7R0.2 CO\C(C)=C\C(=O)O Amb27631657 [0,0,0,0,0,0|1,0,2]=3 310 B7R0.2 CS(=O)CC(O)CN Amb24482487 [0,0,0,0,0,0|4,0,0]=4 311 B7R0.2 CS(=O)CC(O)CN Amb32683521 [0,0,0,0,0,0|4,0,0]=4 312 B7R0.2 CSC(C)CC(=O)O Amb18967824 [0,0,0,0,0,0|1,0,0]=1 313 B7R0.2 CSC(C)CC(C)=O Amb25714199 [0,0,0,0,0,0|2,0,0]=2 314 B7R0.2 CSC(C)CC(C)N Amb28203188 [0,0,0,0,0,0|3,0,1]=4 315 B7R0.2 CSC(C)CC(N)=O Amb27838848 [0,0,0,0,0,0|2,0,0]=2 316 B7R0.2 CS[C@H](C)CC(=O)O Amb27648548 [0,0,0,0,0,0|1,0,0]=1 317 B7R0.2 CS\C(C)=C\C(C)=O Amb28315811 [0,0,0,0,0,0|2,0,2]=4 318 B7R0.2 C[C@@H](CCl)CC(=O)Cl Amb27855839 [0,0,0,0,0,0|2,0,0]=2 319 B7R0.2 C[C@@H](CF)NC(N)=O Amb27660553 [0,0,0,0,0,0|3,0,0]=3 320 B7R0.2 C[C@@H](CN)CC(=O)O Amb26864355 [0,0,0,0,0,0|1,0,0]=1 321 B7R0.2 C[C@@H](CN)CC(=O)O Amb32656230 [0,0,0,0,0,0|1,0,0]=1 322 B7R0.2 C[C@@H](CN)CC(F)F Amb33728852 [0,0,0,0,0,0|3,0,1]=4 323 B7R0.2 C[C@@H](CO)CC(F)F Amb33738940 [0,0,0,0,0,0|3,0,1]=4 324 B7R0.2 C[C@H](CN)CC(=O)O Amb26887694 [0,0,0,0,0,0|1,0,0]=1 325 B7R0.2 C[C@H](CN)CC(=O)O Amb32663834 [0,0,0,0,0,0|1,0,0]=1 326 B7R0.2 C[C@H](CN)CC(F)F Amb33727001 [0,0,0,0,0,0|3,0,1]=4 327 B7R0.2 C[C@H](CN)NC(N)=O Amb28049036 [0,0,0,0,0,0|3,0,0]=3 328 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [0,0,0,0,0,0|1,0,0]=1 329 B7R0.2 C[C@H](CO)CC(F)F Amb33748154 [0,0,0,0,0,0|3,0,1]=4 330 B7R0.2 C[C@H](CO)CN(C)C Amb27457944 [0,0,0,0,0,0|4,0,0]=4 331 B7R0.2 C[C@H](CO)NS(C)=O Amb27226913 [0,0,0,0,0,0|4,0,0]=4 332 B7R0.2 C[C@H](O)C[C@H](O)CCl Amb27668776 [0,0,0,0,0,0|3,0,1]=4 333 B7R0.2 C[C@H](O)C[C@H](O)CO Amb27472671 [0,0,0,0,0,0|3,0,1]=4 334 B7R0.2 C\C(=C/C(=O)Cl)CBr Amb27477400 [0,0,0,0,0,0|2,0,2]=4 335 B7R0.2 C\C(=C/C(=O)Cl)CCl Amb28134682 [0,0,0,0,0,0|2,0,2]=4 336 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [0,0,0,0,0,0|1,0,2]=3 337 B7R0.2 C\C(=C/C(N)=O)CN Amb28288035 [0,0,0,0,0,0|2,0,2]=4 338 B7R0.2 C\C(=C\Cl)CC(N)=O Amb27391105 [0,0,0,0,0,0|2,0,2]=4 339 B7R0.2 C\C(Br)=C\[C@@H](C)CO Amb28206195 [0,0,0,0,0,0|3,0,1]=4 340 B7R0.2 C\C(C#N)=C/C(=O)O Amb27830669 [0,0,0,0,0,0|1,0,3]=4 341 B7R0.2 C\C(CC(=O)O)=N/O Amb28388976 [0,0,0,0,0,0|2,0,1]=3 342 B7R0.2 C\C=C(/C)CC(C)=O Amb28066574 [0,0,0,0,0,0|1,0,2]=3 343 B7R0.2 C\C=C(\C)CC(C)=O Amb27637813 [0,0,0,0,0,0|1,0,2]=3 344 B7R0.2 C\C=C(\C)NC(C)=O Amb24468210 [0,0,0,0,0,0|2,0,2]=4 345 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [0,0,0,0,0,0|1,0,2]=3 346 B7R0.2 C\N=C(C)/C=C(\C)O Amb27637850 [0,0,0,0,0,0|2,0,2]=4 347 B7R0.2 N#CC(N)CC(=O)O Amb27985578 [0,0,0,0,0,0|2,0,1]=3 348 B7R0.2 N#CC(N)CC(N)=O Amb24122907 [0,0,0,0,0,0|3,0,1]=4 349 B7R0.2 N#CC(O)CC(N)=O Amb28063048 [0,0,0,0,0,0|3,0,1]=4 350 B7R0.2 NC(=O)CC(=O)CCl Amb27797889 [0,0,0,0,0,0|3,0,1]=4 351 B7R0.2 NC(=O)CC(Br)CO Amb28384721 [0,0,0,0,0,0|3,0,0]=3 352 B7R0.2 NC(=O)CC(N)CCl Amb26458731 [0,0,0,0,0,0|3,0,0]=3 353 B7R0.2 NC(=O)CC(O)CO Amb25662216 [0,0,0,0,0,0|3,0,0]=3 354 B7R0.2 NC(=O)CN(O)CBr Amb27863565 [0,0,0,0,0,0|4,0,0]=4 355 B7R0.2 NC(=O)C[C@@H](O)CCl Amb27173051 [0,0,0,0,0,0|3,0,0]=3 356 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [0,0,0,0,0,0|3,0,0]=3 357 B7R0.2 NC(=S)CC(O)CF Amb26626569 [0,0,0,0,0,0|3,1,0]=4 358 B7R0.2 NC(=S)CC(O)CO Amb27793984 [0,0,0,0,0,0|3,1,0]=4 359 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [0,0,0,0,0,0|2,0,1]=3 360 B7R0.2 NC(CF)CC(=O)O Amb24428065 [0,0,0,0,0,0|2,0,0]=2 361 B7R0.2 NC(CS)CC(=O)O Amb25090412 [0,0,0,0,0,0|2,0,0]=2 362 B7R0.2 NCC(=O)C[PH](=O)O Amb27257536 [0,0,0,0,0,0|3,0,1]=4 363 B7R0.2 NCC(F)C[PH](=O)O Amb28398603 [0,0,0,0,0,0|3,0,0]=3 364 B7R0.2 NCC(N)CC(=O)O Amb19515145 [0,0,0,0,0,0|2,0,0]=2 365 B7R0.2 NCC(N)CC(=O)O Amb21858324 [0,0,0,0,0,0|2,0,0]=2 366 B7R0.2 NCC(N)CC(N)=O Amb27603845 [0,0,0,0,0,0|3,0,0]=3 367 B7R0.2 NCC(O)CC(=O)O Amb32663899 [0,0,0,0,0,0|2,0,0]=2 368 B7R0.2 NCC(O)CC(=O)O Amb33544754 [0,0,0,0,0,0|2,0,0]=2 369 B7R0.2 NCC(O)CS(=O)O Amb27831981 [0,0,0,0,0,0|3,0,0]=3 370 B7R0.2 NC[C@@H](F)CC(=O)O Amb27481078 [0,0,0,0,0,0|2,0,0]=2 371 B7R0.2 NC[C@@H](F)CS(=O)O Amb27460870 [0,0,0,0,0,0|3,0,0]=3 372 B7R0.2 NC[C@@H](F)C[PH](=O)O Amb24481490 [0,0,0,0,0,0|3,0,0]=3 373 B7R0.2 NC[C@@H](N)CC(=O)O Amb10603267 [0,0,0,0,0,0|2,0,0]=2 374 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [0,0,0,0,0,0|2,0,0]=2 375 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [0,0,0,0,0,0|2,0,0]=2 376 B7R0.2 NC[C@@H](O)CC(N)=O Amb27838875 [0,0,0,0,0,0|3,0,0]=3 377 B7R0.2 NC[C@@H](O)C[PH](=O)O Amb27596096 [0,0,0,0,0,0|3,0,0]=3 378 B7R0.2 NC[C@H](F)C[PH](=O)O Amb27216774 [0,0,0,0,0,0|3,0,0]=3 379 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [0,0,0,0,0,0|2,0,0]=2 380 B7R0.2 NC[C@H](O)CP(=O)=O Amb28249133 [0,0,0,0,0,0|3,0,1]=4 381 B7R0.2 NC\C(I)=C\C(=O)O Amb28386476 [0,0,0,0,0,0|2,0,2]=4 382 B7R0.2 NNC(=O)CC(=O)O Amb25073925 [0,0,0,0,0,0|3,0,1]=4 383 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [0,0,0,0,0,0|2,0,0]=2 384 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [0,0,0,0,0,0|2,0,0]=2 385 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [0,0,0,0,0,0|2,0,1]=3 386 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [0,0,0,0,0,0|2,0,0]=2 387 B7R0.2 N[C@H](CS)CC(=O)O Amb28326106 [0,0,0,0,0,0|2,0,0]=2 388 B7R0.2 N\C(CC(=O)O)=N/O Amb8384544 [0,0,0,0,0,0|3,0,1]=4 389 B7R0.2 O=C(Cl)CC(=O)CCl Amb17593874 [0,0,0,0,0,0|3,0,1]=4 390 B7R0.2 O=C(Cl)OC(Cl)CCl Amb27483797 [0,0,0,0,0,0|4,0,0]=4 391 B7R0.2 O=C(O)CC(=O)CCl Amb18124484 [0,0,0,0,0,0|2,0,1]=3 392 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [0,0,0,0,0,0|2,0,0]=2 393 B7R0.2 O=C(O)CC(O)CF Amb26557587 [0,0,0,0,0,0|2,0,0]=2 394 B7R0.2 O=C(O)CC(O)CO Amb28120003 [0,0,0,0,0,0|2,0,0]=2 395 B7R0.2 O=C(O)CC(O)CS Amb27244674 [0,0,0,0,0,0|2,0,0]=2 396 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [0,0,0,0,0,0|2,0,0]=2 397 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [0,0,0,0,0,0|2,0,0]=2 398 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [0,0,0,0,0,0|2,0,0]=2 399 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [0,0,0,0,0,0|2,0,0]=2 400 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [0,0,0,0,0,0|2,0,0]=2 401 B7R0.2 O=C(O)C\C(Cl)=C\Cl Amb27812877 [0,0,0,0,0,0|2,0,2]=4 402 B7R0.2 O=C(O)\C=C(/Br)CO Amb27424808 [0,0,0,0,0,0|2,0,2]=4 403 B7R0.2 O=C(O)\C=C(\O)CBr Amb28458506 [0,0,0,0,0,0|2,0,2]=4 404 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [0,0,0,0,0,0|2,0,1]=3 405 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [0,0,0,0,0,0|3,0,1]=4 406 B7R0.2 O=[N+]([O-])CC(O)CCl Amb28133599 [0,0,0,0,0,0|3,0,1]=4 407 B6R0.1 C#CCC(C)CC Amb22229837 [1,0,0,0,0,0|1,0,1]=3 408 B6R0.1 C#CCC(C)CN Amb27867835 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.1 C#CCC(C)CO Amb24406137 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.1 C#CCC(C)NC Amb18959778 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.1 C#CCC(C)NC Amb33734467 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.1 C#CCC(N)CC Amb18959775 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.1 C#CCN(C)CC Amb33292506 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.1 C#CC[C@@H](O)CC Amb27780670 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.1 C#CC[C@H](C)CO Amb27765757 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.1 C=C(CC)CCO Amb25261191 [1,0,0,0,0,0|0,0,3]=4 417 B6R0.1 C=CC(C)CC=O Amb18120863 [1,0,0,0,0,0|0,0,2]=3 418 B6R0.1 C=CC(C)CCO Amb22641463 [1,0,0,0,0,0|0,0,3]=4 419 B6R0.1 C=CC(C)NC=O Amb27211656 [1,0,0,0,0,0|1,0,2]=4 420 B6R0.1 C=CC(O)CC=O Amb27401128 [1,0,0,0,0,0|1,0,2]=4 421 B6R0.1 C=CCC(=O)CC Amb27173052 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.1 C=CCC(C)C=C Amb25705690 [1,0,0,0,0,0|1,0,2]=4 423 B6R0.1 C=CCC(C)C=O Amb4358618 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.1 C=CCC(C)CBr Amb24740775 [1,0,0,0,0,0|2,0,0]=3 425 B6R0.1 C=CCC(C)CC Amb4019543 [1,0,0,0,0,0|1,0,0]=2 426 B6R0.1 C=CCC(C)CCl Amb26036596 [1,0,0,0,0,0|2,0,0]=3 427 B6R0.1 C=CCC(C)CI Amb27838209 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.1 C=CCC(C)CO Amb17593084 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.1 C=CCC(C)NC Amb18292023 [1,0,0,0,0,0|2,0,0]=3 430 B6R0.1 C=CCC(N)CC Amb18977592 [1,0,0,0,0,0|2,0,0]=3 431 B6R0.1 C=CCC(N)CC Amb22831631 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.1 C=CCC(N)CO Amb24745656 [1,0,0,0,0,0|3,0,0]=4 433 B6R0.1 C=CCC(N)CO Amb33548733 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.1 C=CCC(O)CC Amb22734219 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.1 C=CCC(O)CN Amb22304831 [1,0,0,0,0,0|3,0,0]=4 436 B6R0.1 C=CC[C@@H](C)CN Amb25836360 [1,0,0,0,0,0|2,0,0]=3 437 B6R0.1 C=CC[C@@H](N)CN Amb27803095 [1,0,0,0,0,0|3,0,0]=4 438 B6R0.1 C=CC[C@@H](N)CO Amb24088744 [1,0,0,0,0,0|3,0,0]=4 439 B6R0.1 C=CC[C@@H](N)CO Amb27495413 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.1 C=CC[C@@H](O)CO Amb27218592 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.1 C=CC[C@H](C)C=O Amb28050198 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.1 C=CC[C@H](C)CI Amb27838216 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.1 C=CC[C@H](N)CO Amb24088875 [1,0,0,0,0,0|3,0,0]=4 444 B6R0.1 C=CC[C@H](N)CO Amb25732908 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.1 C=CC[C@H](O)CCl Amb22736707 [1,0,0,0,0,0|3,0,0]=4 446 B6R0.1 C=CC[C@H](O)CO Amb27632867 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.1 C=CC\C(C)=C\C Amb24479822 [1,0,0,0,0,0|1,0,2]=4 448 B6R0.1 C=COC(C)CC Amb27231284 [1,0,0,0,0,0|2,0,0]=3 449 B6R0.1 C=COC(C)CN Amb27842419 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.1 C=COC(C)CO Amb28188266 [1,0,0,0,0,0|3,0,0]=4 451 B6R0.1 C=C[C@H](C)CC=O Amb28252390 [1,0,0,0,0,0|0,0,2]=3 452 B6R0.1 CC#CC(C)CC Amb22229803 [1,0,0,0,0,0|1,0,2]=4 453 B6R0.1 CC(C#N)CCO Amb27870894 [1,0,0,0,0,0|1,0,2]=4 454 B6R0.1 CC(C=O)CCO Amb28208492 [1,0,0,0,0,0|1,0,2]=4 455 B6R0.1 CC(CBr)CCF Amb26400182 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.1 CC(CBr)CCO Amb28184492 [1,0,0,0,0,0|1,0,1]=3 457 B6R0.1 CC(CCl)ON=O Amb27613490 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.1 CC(CF)CCN Amb33377158 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.1 CC(CF)CON Amb33376909 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.1 CC(CF)N=C=O Amb26005129 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.1 CC(CN)CCF Amb24539384 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.1 CC(CN)CCN Amb9901779 [1,0,0,0,0,0|2,0,1]=4 463 B6R0.1 CC(CN)CCO Amb17506271 [1,0,0,0,0,0|1,0,1]=3 464 B6R0.1 CC(CO)CC#N Amb24691578 [1,0,0,0,0,0|2,0,1]=4 465 B6R0.1 CC(CO)CCF Amb33749211 [1,0,0,0,0,0|2,0,1]=4 466 B6R0.1 CC(CO)CCN Amb17506270 [1,0,0,0,0,0|2,0,1]=4 467 B6R0.1 CC(CO)CCO Amb4035955 [1,0,0,0,0,0|1,0,1]=3 468 B6R0.1 CC(CO)CNN Amb25888496 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.1 CC(CO)CNN Amb32652934 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.1 CCC(=O)CCO Amb26872941 [1,0,0,0,0,0|1,0,2]=4 471 B6R0.1 CCC(=O)CNO Amb27434221 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.1 CCC(Br)CCBr Amb23571816 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.1 CCC(Br)COC Amb18182635 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.1 CCC(C)CC#N Amb24117251 [1,0,0,0,0,0|1,0,1]=3 475 B6R0.1 CCC(C)CC=O Amb33542231 [1,0,0,0,0,0|0,0,0]=1 476 B6R0.1 CCC(C)CCBr Amb22641836 [1,0,0,0,0,0|1,0,1]=3 477 B6R0.1 CCC(C)CCCl Amb24478904 [1,0,0,0,0,0|1,0,1]=3 478 B6R0.1 CCC(C)CCN Amb10607691 [1,0,0,0,0,0|1,0,1]=3 479 B6R0.1 CCC(C)CCN Amb33532985 [1,0,0,0,0,0|1,0,1]=3 480 B6R0.1 CCC(C)CCO Amb3939035 [1,0,0,0,0,0|0,0,1]=2 481 B6R0.1 CCC(C)CCS Amb24657421 [1,0,0,0,0,0|0,1,1]=3 482 B6R0.1 CCC(C)CNC Amb19271598 [1,0,0,0,0,0|2,0,0]=3 483 B6R0.1 CCC(C)CNC Amb6719002 [1,0,0,0,0,0|2,0,0]=3 484 B6R0.1 CCC(C)CNN Amb6248017 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.1 CCC(C)CNO Amb25888224 [1,0,0,0,0,0|1,0,0]=2 486 B6R0.1 CCC(C)CON Amb25316087 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.1 CCC(C)CSC Amb28293984 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.1 CCC(C)N=C=O Amb9726165 [1,0,0,0,0,0|1,0,1]=3 489 B6R0.1 CCC(C)N=C=S Amb6565432 [1,0,0,0,0,0|1,1,1]=4 490 B6R0.1 CCC(C)NC=O Amb4020746 [1,0,0,0,0,0|1,0,0]=2 491 B6R0.1 CCC(C)NOC Amb20668189 [1,0,0,0,0,0|3,0,0]=4 492 B6R0.1 CCC(C)OC=O Amb22734039 [1,0,0,0,0,0|1,0,0]=2 493 B6R0.1 CCC(C)OCBr Amb28436858 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.1 CCC(C)SC#N Amb2691832 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.1 CCC(C)\C=N\N Amb27594489 [1,0,0,0,0,0|2,0,1]=4 496 B6R0.1 CCC(Cl)CC#N Amb28382543 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.1 CCC(Cl)CCCl Amb25977587 [1,0,0,0,0,0|2,0,1]=4 498 B6R0.1 CCC(Cl)CCN Amb28280088 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.1 CCC(Cl)CNC Amb27478265 [1,0,0,0,0,0|3,0,0]=4 500 B6R0.1 CCC(Cl)\C=C\Cl Amb27432413 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.1 CCC(F)CCN Amb24524247 [1,0,0,0,0,0|2,0,1]=4 502 B6R0.1 CCC(I)CC#N Amb27838187 [1,0,0,0,0,0|2,0,1]=4 503 B6R0.1 CCC(N)CC#N Amb8868803 [1,0,0,0,0,0|2,0,1]=4 504 B6R0.1 CCC(N)CCCl Amb27188075 [1,0,0,0,0,0|2,0,1]=4 505 B6R0.1 CCC(N)CCF Amb29869363 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.1 CCC(N)CCN Amb3941697 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.1 CCC(N)CCO Amb18833133 [1,0,0,0,0,0|1,0,1]=3 508 B6R0.1 CCC(N)CNC Amb18290359 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.1 CCC(N)COC Amb33544938 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.1 CCC(N)COC Amb3940014 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.1 CCC(N)CSC Amb17485955 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.1 CCC(O)CC#N Amb8868920 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.1 CCC(O)CC=O Amb27268436 [1,0,0,0,0,0|1,0,0]=2 514 B6R0.1 CCC(O)CCBr Amb24373747 [1,0,0,0,0,0|2,0,1]=4 515 B6R0.1 CCC(O)CCI Amb27470452 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.1 CCC(O)CCN Amb9286193 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.1 CCC(O)CCO Amb28341820 [1,0,0,0,0,0|1,0,1]=3 518 B6R0.1 CCC(O)CCS Amb27170546 [1,0,0,0,0,0|1,1,1]=4 519 B6R0.1 CCC(O)CNC Amb18969632 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.1 CCC(O)CNN Amb32653228 [1,0,0,0,0,0|3,0,0]=4 521 B6R0.1 CCC(O)CNN Amb32664205 [1,0,0,0,0,0|3,0,0]=4 522 B6R0.1 CCC(O)CNN Amb844967 [1,0,0,0,0,0|3,0,0]=4 523 B6R0.1 CCC(O)COC Amb3940162 [1,0,0,0,0,0|3,0,0]=4 524 B6R0.1 CCC(O)NC=O Amb28387408 [1,0,0,0,0,0|2,0,0]=3 525 B6R0.1 CCC(S)CCO Amb26605792 [1,0,0,0,0,0|1,0,1]=3 526 B6R0.1 CCC(S)COC Amb26643953 [1,0,0,0,0,0|3,0,0]=4 527 B6R0.1 CCCC(Br)CC Amb4015488 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.1 CCCC(C)CBr Amb18177792 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.1 CCCC(C)CC Amb22229359 [1,0,0,0,0,0|1,0,1]=3 530 B6R0.1 CCCC(C)CCl Amb8999029 [1,0,0,0,0,0|2,0,1]=4 531 B6R0.1 CCCC(C)CN Amb6718925 [1,0,0,0,0,0|2,0,1]=4 532 B6R0.1 CCCC(C)CO Amb8999036 [1,0,0,0,0,0|2,0,1]=4 533 B6R0.1 CCCC(C)CS Amb25851785 [1,0,0,0,0,0|2,0,1]=4 534 B6R0.1 CCCC(C)NC Amb6250869 [1,0,0,0,0,0|2,0,1]=4 535 B6R0.1 CCCC(C)NC Amb7969691 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.1 CCCC(C)OC Amb26319305 [1,0,0,0,0,0|2,0,1]=4 537 B6R0.1 CCCC(Cl)CC Amb22229268 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.1 CCCC(I)CC Amb22733970 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.1 CCCC(N)CC Amb13951437 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.1 CCCC(N)CC Amb8869707 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.1 CCCC(O)CC Amb4037277 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.1 CCCC(S)CC Amb24507410 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.1 CCC[C@@H](C)CBr Amb27433917 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.1 CCC[C@@H](C)CN Amb27473241 [1,0,0,0,0,0|2,0,1]=4 545 B6R0.1 CCC[C@@H](C)CO Amb22823174 [1,0,0,0,0,0|2,0,1]=4 546 B6R0.1 CCC[C@@H](O)CC Amb25781736 [1,0,0,0,0,0|2,0,1]=4 547 B6R0.1 CCC[C@H](C)CCl Amb27620529 [1,0,0,0,0,0|2,0,1]=4 548 B6R0.1 CCC[C@H](C)CN Amb27795765 [1,0,0,0,0,0|2,0,1]=4 549 B6R0.1 CCC[C@H](C)CO Amb27423081 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.1 CCC[C@H](O)CC Amb26022373 [1,0,0,0,0,0|2,0,1]=4 551 B6R0.1 CCN(C)CC#N Amb8890783 [1,0,0,0,0,0|2,0,1]=4 552 B6R0.1 CCN(C)CCBr Amb18788424 [1,0,0,0,0,0|2,0,1]=4 553 B6R0.1 CCN(C)CCCl Amb17334076 [1,0,0,0,0,0|2,0,1]=4 554 B6R0.1 CCN(C)CCF Amb25850115 [1,0,0,0,0,0|2,0,1]=4 555 B6R0.1 CCN(C)CCN Amb33456900 [1,0,0,0,0,0|2,0,1]=4 556 B6R0.1 CCN(C)CCN Amb8890441 [1,0,0,0,0,0|2,0,1]=4 557 B6R0.1 CCN(C)CCO Amb3204756 [1,0,0,0,0,0|1,0,1]=3 558 B6R0.1 CCN(C)CCS Amb27461622 [1,0,0,0,0,0|1,1,1]=4 559 B6R0.1 CCN(N)CCO Amb24407231 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.1 CCNC(C)CC Amb19959917 [1,0,0,0,0,0|2,0,1]=4 561 B6R0.1 CCNC(C)CC Amb9718161 [1,0,0,0,0,0|2,0,1]=4 562 B6R0.1 CCOC(C)CC Amb17939313 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.1 CCS(=O)CCO Amb10669566 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.1 CCSC(C)CC Amb22230692 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.1 CC[C@@H](C)CC#N Amb27160837 [1,0,0,0,0,0|1,0,1]=3 566 B6R0.1 CC[C@@H](C)CCO Amb22800733 [1,0,0,0,0,0|0,0,1]=2 567 B6R0.1 CC[C@@H](N)CC#N Amb8384242 [1,0,0,0,0,0|2,0,1]=4 568 B6R0.1 CC[C@@H](N)COC Amb22755736 [1,0,0,0,0,0|3,0,0]=4 569 B6R0.1 CC[C@@H](N)COC Amb24479069 [1,0,0,0,0,0|3,0,0]=4 570 B6R0.1 CC[C@@H](O)CC#N Amb26324104 [1,0,0,0,0,0|2,0,1]=4 571 B6R0.1 CC[C@@H](O)CC=O Amb28287324 [1,0,0,0,0,0|1,0,0]=2 572 B6R0.1 CC[C@@H](O)CCN Amb26633884 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.1 CC[C@@H](O)CCO Amb27448609 [1,0,0,0,0,0|1,0,1]=3 574 B6R0.1 CC[C@@H](S)CCO Amb27662308 [1,0,0,0,0,0|1,0,1]=3 575 B6R0.1 CC[C@H](C)CCBr Amb27391660 [1,0,0,0,0,0|1,0,1]=3 576 B6R0.1 CC[C@H](C)CCI Amb27838223 [1,0,0,0,0,0|1,0,1]=3 577 B6R0.1 CC[C@H](C)CCO Amb24333653 [1,0,0,0,0,0|0,0,1]=2 578 B6R0.1 CC[C@H](N)CC#N Amb19884025 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.1 CC[C@H](N)COC Amb27601302 [1,0,0,0,0,0|3,0,0]=4 580 B6R0.1 CC[C@H](N)COC Amb33339278 [1,0,0,0,0,0|3,0,0]=4 581 B6R0.1 CC[C@H](N)CSC Amb27248591 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.1 CC[C@H](O)CC#N Amb27960298 [1,0,0,0,0,0|2,0,1]=4 583 B6R0.1 CC[C@H](O)CCN Amb25284469 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.1 CC[C@H](O)CCO Amb27757196 [1,0,0,0,0,0|1,0,1]=3 585 B6R0.1 CC[C@H](O)CSC Amb28349605 [1,0,0,0,0,0|3,0,0]=4 586 B6R0.1 CC\C(C)=C\C=O Amb28251868 [1,0,0,0,0,0|0,0,2]=3 587 B6R0.1 CC\C(C)=C\CO Amb24623050 [1,0,0,0,0,0|0,0,3]=4 588 B6R0.1 CC\C(Cl)=C\C=O Amb28202587 [1,0,0,0,0,0|1,0,2]=4 589 B6R0.1 CN(CC=O)N=O Amb27830130 [1,0,0,0,0,0|3,0,0]=4 590 B6R0.1 CNC(C)CC#N Amb18540665 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.1 CNC(C)CCO Amb8428169 [1,0,0,0,0,0|1,0,1]=3 592 B6R0.1 CNC(C)COC Amb33544775 [1,0,0,0,0,0|3,0,0]=4 593 B6R0.1 CNC(C)COC Amb6708747 [1,0,0,0,0,0|3,0,0]=4 594 B6R0.1 CNC(C)CSC Amb18300373 [1,0,0,0,0,0|3,0,0]=4 595 B6R0.1 CNCC(C)CCl Amb27974468 [1,0,0,0,0,0|3,0,0]=4 596 B6R0.1 CNCC(C)CN Amb18300042 [1,0,0,0,0,0|3,0,0]=4 597 B6R0.1 CNCC(C)CO Amb17569890 [1,0,0,0,0,0|3,0,0]=4 598 B6R0.1 CNCC(C)NC Amb18993072 [1,0,0,0,0,0|3,0,0]=4 599 B6R0.1 CNCC(C)OC Amb19959922 [1,0,0,0,0,0|3,0,0]=4 600 B6R0.1 CNCC(C)OC Amb2785993 [1,0,0,0,0,0|3,0,0]=4 601 B6R0.1 CNCC(C)SC Amb18299459 [1,0,0,0,0,0|3,0,0]=4 602 B6R0.1 CNC[C@@H](C)OC Amb35633977 [1,0,0,0,0,0|3,0,0]=4 603 B6R0.1 CNC[C@H](C)NC Amb27668404 [1,0,0,0,0,0|3,0,0]=4 604 B6R0.1 CNC[C@H](C)OC Amb35637318 [1,0,0,0,0,0|3,0,0]=4 605 B6R0.1 CN[C@@H](C)CCN Amb28424262 [1,0,0,0,0,0|2,0,1]=4 606 B6R0.1 CN[C@H](C)COC Amb32679593 [1,0,0,0,0,0|3,0,0]=4 607 B6R0.1 CN[C@H](C)COC Amb32679594 [1,0,0,0,0,0|3,0,0]=4 608 B6R0.1 COC(=O)CC=O Amb18199826 [1,0,0,0,0,0|2,0,1]=4 609 B6R0.1 COC(C)CC#N Amb20622879 [1,0,0,0,0,0|2,0,1]=4 610 B6R0.1 COC(C)CC=O Amb17593089 [1,0,0,0,0,0|1,0,0]=2 611 B6R0.1 COC(C)CCBr Amb22227890 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.1 COC(C)CCN Amb21961545 [1,0,0,0,0,0|2,0,1]=4 613 B6R0.1 COC(C)CCN Amb33537917 [1,0,0,0,0,0|2,0,1]=4 614 B6R0.1 COC(C)CCO Amb3939327 [1,0,0,0,0,0|1,0,1]=3 615 B6R0.1 COC(C)CNN Amb28060369 [1,0,0,0,0,0|3,0,0]=4 616 B6R0.1 COC(C)CNO Amb27841478 [1,0,0,0,0,0|2,0,0]=3 617 B6R0.1 COC(C)CON Amb18640476 [1,0,0,0,0,0|3,0,0]=4 618 B6R0.1 COC(C)\C=N\O Amb28134046 [1,0,0,0,0,0|2,0,1]=4 619 B6R0.1 COCC(C)CBr Amb24332722 [1,0,0,0,0,0|3,0,0]=4 620 B6R0.1 COCC(C)CCl Amb24393321 [1,0,0,0,0,0|3,0,0]=4 621 B6R0.1 COCC(C)CN Amb33109763 [1,0,0,0,0,0|3,0,0]=4 622 B6R0.1 COCC(C)CN Amb9029115 [1,0,0,0,0,0|3,0,0]=4 623 B6R0.1 COCC(C)CO Amb33545253 [1,0,0,0,0,0|3,0,0]=4 624 B6R0.1 COCC(C)CS Amb28050087 [1,0,0,0,0,0|3,0,0]=4 625 B6R0.1 COC[C@H](C)CCl Amb27174445 [1,0,0,0,0,0|3,0,0]=4 626 B6R0.1 CON(C)CCO Amb28320019 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.1 CSC(C)CC=O Amb8393182 [1,0,0,0,0,0|1,0,0]=2 628 B6R0.1 CSC(C)CCN Amb13952574 [1,0,0,0,0,0|2,0,1]=4 629 B6R0.1 CSC(C)CCO Amb27231283 [1,0,0,0,0,0|1,0,1]=3 630 B6R0.1 CSCC(C)CBr Amb25861163 [1,0,0,0,0,0|3,0,0]=4 631 B6R0.1 CSCC(C)CCl Amb28398290 [1,0,0,0,0,0|3,0,0]=4 632 B6R0.1 CSCC(C)CN Amb18970333 [1,0,0,0,0,0|3,0,0]=4 633 B6R0.1 CSCC(C)CO Amb33530103 [1,0,0,0,0,0|3,0,0]=4 634 B6R0.1 C[C@@H](C=O)CCO Amb27394744 [1,0,0,0,0,0|1,0,2]=4 635 B6R0.1 C[C@@H](CF)CCO Amb28321309 [1,0,0,0,0,0|1,0,1]=3 636 B6R0.1 C[C@@H](CN)CCF Amb33728858 [1,0,0,0,0,0|2,0,1]=4 637 B6R0.1 C[C@@H](CN)CCN Amb9785163 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.1 C[C@@H](CO)CC#N Amb28185063 [1,0,0,0,0,0|2,0,1]=4 639 B6R0.1 C[C@@H](CO)CC=O Amb27227155 [1,0,0,0,0,0|1,0,0]=2 640 B6R0.1 C[C@@H](CO)CCF Amb33738945 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.1 C[C@@H](CO)CCN Amb22801706 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.1 C[C@@H](CO)CCO Amb22225176 [1,0,0,0,0,0|1,0,1]=3 643 B6R0.1 C[C@H](C=O)CCO Amb27260814 [1,0,0,0,0,0|1,0,2]=4 644 B6R0.1 C[C@H](CN)CCF Amb33748018 [1,0,0,0,0,0|2,0,1]=4 645 B6R0.1 C[C@H](CN)CCN Amb27780557 [1,0,0,0,0,0|2,0,1]=4 646 B6R0.1 C[C@H](CO)CCF Amb33748162 [1,0,0,0,0,0|2,0,1]=4 647 B6R0.1 C[C@H](CO)CCO Amb19944691 [1,0,0,0,0,0|1,0,1]=3 648 B6R0.1 C[C@H](CO)NC=O Amb27654572 [1,0,0,0,0,0|2,0,0]=3 649 B6R0.1 C[SiH2]CC(C)CCl Amb27228579 [1,0,0,0,0,0|2,1,0]=4 650 B6R0.1 C\C(=C/C=O)CBr Amb28396628 [1,0,0,0,0,0|1,0,2]=4 651 B6R0.1 C\C(=C/C=O)CCl Amb27224793 [1,0,0,0,0,0|1,0,2]=4 652 B6R0.1 C\C=C(/C)CC=O Amb18120886 [1,0,0,0,0,0|0,0,2]=3 653 B6R0.1 C\C=C(/C)CCO Amb24674649 [1,0,0,0,0,0|0,0,3]=4 654 B6R0.1 C\C=C(\C)CCO Amb28077117 [1,0,0,0,0,0|0,0,3]=4 655 B6R0.1 C\C=C/C(C)CC Amb4019547 [1,0,0,0,0,0|1,0,1]=3 656 B6R0.1 C\C=C/[C@H](C)NC Amb27848817 [1,0,0,0,0,0|2,0,1]=4 657 B6R0.1 C\C=C\C(Br)CC Amb28121149 [1,0,0,0,0,0|2,0,1]=4 658 B6R0.1 C\C=C\C(C)CC Amb22232014 [1,0,0,0,0,0|1,0,1]=3 659 B6R0.1 C\C=C\C(C)CO Amb28074694 [1,0,0,0,0,0|2,0,1]=4 660 B6R0.1 C\C=C\C(C)NC Amb18639480 [1,0,0,0,0,0|2,0,1]=4 661 B6R0.1 C\C=C\C(C)OC Amb27473820 [1,0,0,0,0,0|2,0,1]=4 662 B6R0.1 C\C=C\C(Cl)CC Amb26441343 [1,0,0,0,0,0|2,0,1]=4 663 B6R0.1 C\C=C\C(N)CC Amb27818157 [1,0,0,0,0,0|2,0,1]=4 664 B6R0.1 C\C=C\C(O)CC Amb22731799 [1,0,0,0,0,0|2,0,1]=4 665 B6R0.1 C\C=C\[C@@H](C)CO Amb27423303 [1,0,0,0,0,0|2,0,1]=4 666 B6R0.1 C\C=C\[C@@H](N)CC Amb27852159 [1,0,0,0,0,0|2,0,1]=4 667 B6R0.1 NC(C=O)CC=O Amb27872844 [1,0,0,0,0,0|2,0,1]=4 668 B6R0.1 NC(CF)CCO Amb33358193 [1,0,0,0,0,0|2,0,1]=4 669 B6R0.1 NC(CO)CCO Amb27948796 [1,0,0,0,0,0|2,0,1]=4 670 B6R0.1 NC(CO)CCO Amb32666185 [1,0,0,0,0,0|2,0,1]=4 671 B6R0.1 NC(CS)CCO Amb25083064 [1,0,0,0,0,0|2,0,1]=4 672 B6R0.1 NCC(N)CCO Amb19514523 [1,0,0,0,0,0|2,0,1]=4 673 B6R0.1 NCC(N)CCO Amb32661503 [1,0,0,0,0,0|2,0,1]=4 674 B6R0.1 NCC(O)CCO Amb22011571 [1,0,0,0,0,0|2,0,1]=4 675 B6R0.1 NCC(O)CNO Amb27461322 [1,0,0,0,0,0|3,0,0]=4 676 B6R0.1 NC[C@@H](O)CCO Amb28191136 [1,0,0,0,0,0|2,0,1]=4 677 B6R0.1 NC[C@H](N)CCO Amb32661173 [1,0,0,0,0,0|2,0,1]=4 678 B6R0.1 N[C@@H](CO)CCO Amb26855089 [1,0,0,0,0,0|2,0,1]=4 679 B6R0.1 N[C@H](CO)CCO Amb33362376 [1,0,0,0,0,0|2,0,1]=4 680 B6R0.1 N[C@H](CO)CCO Amb6893747 [1,0,0,0,0,0|2,0,1]=4 681 B6R0.1 O=CCC(F)CF Amb27186291 [1,0,0,0,0,0|2,0,0]=3 682 B6R0.1 O=CCC(O)C=O Amb28071061 [1,0,0,0,0,0|2,0,1]=4 683 B6R0.1 OCC(O)CSO Amb28455081 [1,0,0,0,0,0|3,0,0]=4 684 B6R0.1 OCCC(Br)CF Amb28244945 [1,0,0,0,0,0|2,0,1]=4 685 B6R0.1 OCCC(F)CBr Amb28144200 [1,0,0,0,0,0|2,0,1]=4 686 B6R0.1 OCCC(F)CO Amb27981514 [1,0,0,0,0,0|2,0,1]=4 687 B6R0.1 OCCC(O)CBr Amb26393869 [1,0,0,0,0,0|2,0,1]=4 688 B6R0.1 OCCC(O)CCl Amb25361069 [1,0,0,0,0,0|2,0,1]=4 689 B6R0.1 OCCC(O)CO Amb6608827 [1,0,0,0,0,0|2,0,1]=4 690 B6R0.1 OCC[C@@H](Cl)CO Amb28137912 [1,0,0,0,0,0|2,0,1]=4 691 B6R0.1 OCC[C@@H](O)CCl Amb4166321 [1,0,0,0,0,0|2,0,1]=4 692 B6R0.1 OCC[C@@H](O)CO Amb10071064 [1,0,0,0,0,0|2,0,1]=4 693 B6R0.1 OCC[C@H](Br)CO Amb28050148 [1,0,0,0,0,0|2,0,1]=4 694 B6R0.1 OCC[C@H](Cl)CO Amb28384118 [1,0,0,0,0,0|2,0,1]=4 695 B6R0.1 OCC[C@H](O)CBr Amb27202737 [1,0,0,0,0,0|2,0,1]=4 696 B6R0.1 OCC[C@H](O)CO Amb8386061 [1,0,0,0,0,0|2,0,1]=4 697 B6R0.1 [C-]#[N+]CC(C)CC Amb33373866 [1,0,0,0,0,0|2,0,0]=3 698 B6R0.2 C=C(Br)CC(C)C Amb22583739 [1,0,0,0,0,0|2,0,0]=3 699 B6R0.2 C=C(C)CC(=O)O Amb6278832 [1,0,0,0,0,0|0,0,2]=3 700 B6R0.2 C=C(C)CC(C)=O Amb17593075 [1,0,0,0,0,0|1,0,2]=4 701 B6R0.2 C=C(C)CC(C)Br Amb24365286 [1,0,0,0,0,0|3,0,0]=4 702 B6R0.2 C=C(C)CC(C)C Amb4019530 [1,0,0,0,0,0|2,0,0]=3 703 B6R0.2 C=C(C)CC(C)Cl Amb24558200 [1,0,0,0,0,0|3,0,0]=4 704 B6R0.2 C=C(C)CC(C)O Amb17593083 [1,0,0,0,0,0|3,0,0]=4 705 B6R0.2 C=C(C)CN(C)C Amb25747292 [1,0,0,0,0,0|3,0,0]=4 706 B6R0.2 C=C(C)C[C@@H](C)N Amb33199541 [1,0,0,0,0,0|3,0,0]=4 707 B6R0.2 C=C(C)C[C@@H](C)O Amb25888510 [1,0,0,0,0,0|3,0,0]=4 708 B6R0.2 C=C(C)C[C@H](C)N Amb33199534 [1,0,0,0,0,0|3,0,0]=4 709 B6R0.2 C=C(C)C[C@H](C)O Amb27466720 [1,0,0,0,0,0|3,0,0]=4 710 B6R0.2 C=C(Cl)CC(=O)O Amb28118668 [1,0,0,0,0,0|1,0,2]=4 711 B6R0.2 C=C(Cl)CC(C)Cl Amb28396615 [1,0,0,0,0,0|3,0,0]=4 712 B6R0.2 C=C(Cl)CN(C)C Amb27425092 [1,0,0,0,0,0|3,0,0]=4 713 B6R0.2 C=C(I)CC(=O)O Amb27598435 [1,0,0,0,0,0|1,0,2]=4 714 B6R0.2 CB(C)CC(C)C Amb28050346 [1,0,0,0,0,0|3,0,0]=4 715 B6R0.2 CC(=O)C=C(C)C Amb2793052 [1,0,0,0,0,0|1,0,2]=4 716 B6R0.2 CC(=O)CC(=O)F Amb28122452 [1,0,0,0,0,0|2,0,1]=4 717 B6R0.2 CC(=O)CC(=O)O Amb377432 [1,0,0,0,0,0|1,0,1]=3 718 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [1,0,0,0,0,0|1,0,2]=4 719 B6R0.2 CC(=O)CC(C)=O Amb2716228 [1,0,0,0,0,0|2,0,1]=4 720 B6R0.2 CC(=O)CC(C)=S Amb28381251 [1,0,0,0,0,0|2,0,1]=4 721 B6R0.2 CC(=O)CC(C)C Amb4605990 [1,0,0,0,0,0|1,0,0]=2 722 B6R0.2 CC(=O)CC(C)Cl Amb17593234 [1,0,0,0,0,0|2,0,0]=3 723 B6R0.2 CC(=O)CC(C)N Amb22587050 [1,0,0,0,0,0|2,0,0]=3 724 B6R0.2 CC(=O)CC(C)N Amb2583230 [1,0,0,0,0,0|2,0,0]=3 725 B6R0.2 CC(=O)CC(C)O Amb17593091 [1,0,0,0,0,0|2,0,0]=3 726 B6R0.2 CC(=O)CC(C)S Amb24600676 [1,0,0,0,0,0|2,0,0]=3 727 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [1,0,0,0,0,0|2,0,0]=3 728 B6R0.2 CC(=O)CC(F)F Amb24669174 [1,0,0,0,0,0|3,0,0]=4 729 B6R0.2 CC(=O)CC(N)=O Amb6608777 [1,0,0,0,0,0|2,0,1]=4 730 B6R0.2 CC(=O)CN(C)C Amb9217324 [1,0,0,0,0,0|2,0,0]=3 731 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [1,0,0,0,0,0|2,0,0]=3 732 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [1,0,0,0,0,0|2,0,0]=3 733 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [1,0,0,0,0,0|2,0,1]=4 734 B6R0.2 CC(=O)C[S+](C)Cl Amb27835653 [1,0,0,0,0,0|3,0,0]=4 735 B6R0.2 CC(=O)NC(C)Br Amb27444682 [1,0,0,0,0,0|3,0,0]=4 736 B6R0.2 CC(=O)NC(C)C Amb3366263 [1,0,0,0,0,0|2,0,0]=3 737 B6R0.2 CC(=O)NC(C)N Amb27468729 [1,0,0,0,0,0|3,0,0]=4 738 B6R0.2 CC(=O)NN(C)C Amb25064806 [1,0,0,0,0,0|3,0,0]=4 739 B6R0.2 CC(=O)OC(C)Br Amb19958925 [1,0,0,0,0,0|3,0,0]=4 740 B6R0.2 CC(=O)OC(C)C Amb3940484 [1,0,0,0,0,0|2,0,0]=3 741 B6R0.2 CC(=O)OC(C)Cl Amb24058273 [1,0,0,0,0,0|3,0,0]=4 742 B6R0.2 CC(=O)OC(C)N Amb27184949 [1,0,0,0,0,0|3,0,0]=4 743 B6R0.2 CC(=O)OC(C)O Amb27457187 [1,0,0,0,0,0|3,0,0]=4 744 B6R0.2 CC(=O)O[SiH](C)C Amb2687439 [1,0,0,0,0,0|2,1,0]=4 745 B6R0.2 CC(=S)CC(=O)O Amb28067768 [1,0,0,0,0,0|1,0,1]=3 746 B6R0.2 CC(=S)NC(C)C Amb27953313 [1,0,0,0,0,0|2,1,0]=4 747 B6R0.2 CC(=S)OC(C)C Amb24697607 [1,0,0,0,0,0|2,1,0]=4 748 B6R0.2 CC(Br)CC(=O)O Amb8517108 [1,0,0,0,0,0|1,0,0]=2 749 B6R0.2 CC(C)=CC(=O)Cl Amb2782315 [1,0,0,0,0,0|1,0,2]=4 750 B6R0.2 CC(C)=CC(=O)O Amb1485519 [1,0,0,0,0,0|0,0,2]=3 751 B6R0.2 CC(C)=CC(C)C Amb4016282 [1,0,0,0,0,0|2,0,1]=4 752 B6R0.2 CC(C)=CC(N)=O Amb10561758 [1,0,0,0,0,0|1,0,2]=4 753 B6R0.2 CC(C)=NC(C)C Amb2689015 [1,0,0,0,0,0|3,0,0]=4 754 B6R0.2 CC(C)CB(Br)Br Amb28050274 [1,0,0,0,0,0|3,0,0]=4 755 B6R0.2 CC(C)CB(O)O Amb2447316 [1,0,0,0,0,0|1,0,1]=3 756 B6R0.2 CC(C)CC(=N)N Amb10066934 [1,0,0,0,0,0|2,0,0]=3 757 B6R0.2 CC(C)CC(=N)N Amb2696279 [1,0,0,0,0,0|2,0,0]=3 758 B6R0.2 CC(C)CC(=O)Br Amb26486664 [1,0,0,0,0,0|1,0,0]=2 759 B6R0.2 CC(C)CC(=O)Cl Amb2792902 [1,0,0,0,0,0|1,0,0]=2 760 B6R0.2 CC(C)CC(=O)F Amb32667643 [1,0,0,0,0,0|1,0,0]=2 761 B6R0.2 CC(C)CC(=O)O Amb3939848 [1,0,0,0,0,0|0,0,0]=1 762 B6R0.2 CC(C)CC(C)Br Amb2720906 [1,0,0,0,0,0|2,0,1]=4 763 B6R0.2 CC(C)CC(C)C Amb22045157 [1,0,0,0,0,0|2,0,1]=4 764 B6R0.2 CC(C)CC(C)Cl Amb7766810 [1,0,0,0,0,0|2,0,1]=4 765 B6R0.2 CC(C)CC(C)I Amb25783778 [1,0,0,0,0,0|2,0,1]=4 766 B6R0.2 CC(C)CC(C)N Amb31289290 [1,0,0,0,0,0|2,0,1]=4 767 B6R0.2 CC(C)CC(C)N Amb9706523 [1,0,0,0,0,0|2,0,1]=4 768 B6R0.2 CC(C)CC(C)O Amb6608920 [1,0,0,0,0,0|1,0,1]=3 769 B6R0.2 CC(C)CC(C)S Amb7784717 [1,0,0,0,0,0|1,1,1]=4 770 B6R0.2 CC(C)CC(N)=O Amb2722931 [1,0,0,0,0,0|1,0,0]=2 771 B6R0.2 CC(C)CC(N)=S Amb6246355 [1,0,0,0,0,0|1,1,0]=3 772 B6R0.2 CC(C)CC(N)O Amb28383510 [1,0,0,0,0,0|1,0,1]=3 773 B6R0.2 CC(C)CC(O)O Amb27207854 [1,0,0,0,0,0|0,0,2]=3 774 B6R0.2 CC(C)CN(C)C Amb17231805 [1,0,0,0,0,0|3,0,0]=4 775 B6R0.2 CC(C)CN(C)O Amb33360311 [1,0,0,0,0,0|2,0,0]=3 776 B6R0.2 CC(C)CS(=O)Cl Amb26409520 [1,0,0,0,0,0|2,0,0]=3 777 B6R0.2 CC(C)CS(=O)[O-] Amb19930010 [1,0,0,0,0,0|1,0,1]=3 778 B6R0.2 CC(C)CS(C)=O Amb27972160 [1,0,0,0,0,0|2,0,0]=3 779 B6R0.2 CC(C)CS(N)=O Amb24527860 [1,0,0,0,0,0|2,0,0]=3 780 B6R0.2 CC(C)C[AlH3](Cl)Cl Amb22353406 [1,0,0,0,0,0|3,0,0]=4 781 B6R0.2 CC(C)C[C@@H](C)N Amb28247479 [1,0,0,0,0,0|2,0,1]=4 782 B6R0.2 CC(C)C[C@@H](C)N Amb33329943 [1,0,0,0,0,0|2,0,1]=4 783 B6R0.2 CC(C)C[C@@H](C)O Amb8517525 [1,0,0,0,0,0|1,0,1]=3 784 B6R0.2 CC(C)C[C@H](C)N Amb27254209 [1,0,0,0,0,0|2,0,1]=4 785 B6R0.2 CC(C)C[C@H](C)N Amb33329057 [1,0,0,0,0,0|2,0,1]=4 786 B6R0.2 CC(C)C[C@H](C)O Amb8517526 [1,0,0,0,0,0|1,0,1]=3 787 B6R0.2 CC(C)C[N+](=O)[O-] Amb17672613 [1,0,0,0,0,0|1,0,1]=3 788 B6R0.2 CC(C)NC(=N)N Amb24271074 [1,0,0,0,0,0|3,0,0]=4 789 B6R0.2 CC(C)NC(=N)N Amb26339394 [1,0,0,0,0,0|3,0,0]=4 790 B6R0.2 CC(C)NC(=N)N Amb32410104 [1,0,0,0,0,0|3,0,0]=4 791 B6R0.2 CC(C)NC(=O)Cl Amb27780560 [1,0,0,0,0,0|2,0,0]=3 792 B6R0.2 CC(C)NC(=O)S Amb27817487 [1,0,0,0,0,0|1,1,0]=3 793 B6R0.2 CC(C)NC(N)=O Amb1104587 [1,0,0,0,0,0|2,0,0]=3 794 B6R0.2 CC(C)NC(N)=S Amb1152626 [1,0,0,0,0,0|2,1,0]=4 795 B6R0.2 CC(C)NS(C)=O Amb27777975 [1,0,0,0,0,0|3,0,0]=4 796 B6R0.2 CC(C)OB(O)O Amb28410460 [1,0,0,0,0,0|2,0,1]=4 797 B6R0.2 CC(C)OC(=O)Cl Amb3941687 [1,0,0,0,0,0|2,0,0]=3 798 B6R0.2 CC(C)OC(=S)S Amb24465791 [1,0,0,0,0,0|1,2,0]=4 799 B6R0.2 CC(C)OC(=S)[S-] Amb19748282 [1,0,0,0,0,0|1,2,0]=4 800 B6R0.2 CC(C)OC(=S)[S-] Amb534231 [1,0,0,0,0,0|1,2,0]=4 801 B6R0.2 CC(C)OC(N)=O Amb4017684 [1,0,0,0,0,0|2,0,0]=3 802 B6R0.2 CC(C)OC(N)=S Amb25732665 [1,0,0,0,0,0|2,1,0]=4 803 B6R0.2 CC(C)O[PH](=O)S Amb27447273 [1,0,0,0,0,0|2,1,0]=4 804 B6R0.2 CC(C)SC(=N)N Amb1093763 [1,0,0,0,0,0|3,0,0]=4 805 B6R0.2 CC(C)SC(=O)Cl Amb22352802 [1,0,0,0,0,0|2,0,0]=3 806 B6R0.2 CC(Cl)CC(=O)Cl Amb28343061 [1,0,0,0,0,0|2,0,0]=3 807 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [1,0,0,0,0,0|1,0,0]=2 808 B6R0.2 CC(Cl)NC(N)=O Amb28130611 [1,0,0,0,0,0|3,0,0]=4 809 B6R0.2 CC(Cl)OC(=O)Cl Amb6608999 [1,0,0,0,0,0|3,0,0]=4 810 B6R0.2 CC(I)CC(=O)O Amb28398380 [1,0,0,0,0,0|1,0,0]=2 811 B6R0.2 CC(N)CC(=O)O Amb8379759 [1,0,0,0,0,0|1,0,0]=2 812 B6R0.2 CC(N)CC(=O)S Amb27413857 [1,0,0,0,0,0|1,1,0]=3 813 B6R0.2 CC(N)CC(C)O Amb18640217 [1,0,0,0,0,0|2,0,1]=4 814 B6R0.2 CC(N)CC(N)=O Amb18281237 [1,0,0,0,0,0|2,0,0]=3 815 B6R0.2 CC(N)CC(N)=O Amb33532770 [1,0,0,0,0,0|2,0,0]=3 816 B6R0.2 CC(N)CS(C)=O Amb33546327 [1,0,0,0,0,0|3,0,0]=4 817 B6R0.2 CC(O)CC(=O)O Amb8513187 [1,0,0,0,0,0|1,0,0]=2 818 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [1,0,0,0,0,0|1,0,1]=3 819 B6R0.2 CC(O)CC(C)F Amb28065744 [1,0,0,0,0,0|2,0,1]=4 820 B6R0.2 CC(O)CC(C)O Amb10068523 [1,0,0,0,0,0|2,0,1]=4 821 B6R0.2 CC(O)CC(C)S Amb24122653 [1,0,0,0,0,0|2,0,1]=4 822 B6R0.2 CC(O)CC(N)=O Amb26394320 [1,0,0,0,0,0|2,0,0]=3 823 B6R0.2 CC(O)CC(N)=S Amb24479794 [1,0,0,0,0,0|2,1,0]=4 824 B6R0.2 CC(O)CN(C)C Amb8513140 [1,0,0,0,0,0|2,0,1]=4 825 B6R0.2 CC(O)CS(C)=O Amb28137235 [1,0,0,0,0,0|3,0,0]=4 826 B6R0.2 CC(O)C[N+](=O)[O-] Amb9678341 [1,0,0,0,0,0|2,0,1]=4 827 B6R0.2 CC(O)C[NH+](C)C Amb33934480 [1,0,0,0,0,0|2,0,1]=4 828 B6R0.2 CC(S)CC(=O)O Amb33538201 [1,0,0,0,0,0|1,0,0]=2 829 B6R0.2 CN(C)CC(=N)N Amb10610521 [1,0,0,0,0,0|3,0,0]=4 830 B6R0.2 CN(C)CC(=N)N Amb10610536 [1,0,0,0,0,0|3,0,0]=4 831 B6R0.2 CN(C)CC(=N)N Amb4297035 [1,0,0,0,0,0|3,0,0]=4 832 B6R0.2 CN(C)CC(=O)Cl Amb22732502 [1,0,0,0,0,0|2,0,0]=3 833 B6R0.2 CN(C)CC(=O)Cl Amb3939582 [1,0,0,0,0,0|2,0,0]=3 834 B6R0.2 CN(C)CC(=O)O Amb3319051 [1,0,0,0,0,0|1,0,0]=2 835 B6R0.2 CN(C)CC(=O)O Amb3940366 [1,0,0,0,0,0|1,0,0]=2 836 B6R0.2 CN(C)CC(N)=O Amb17231806 [1,0,0,0,0,0|2,0,0]=3 837 B6R0.2 CN(C)CC(N)=O Amb33321491 [1,0,0,0,0,0|2,0,0]=3 838 B6R0.2 CN(C)CC(N)=S Amb16232219 [1,0,0,0,0,0|2,1,0]=4 839 B6R0.2 CN(C)CC(N)=S Amb19373088 [1,0,0,0,0,0|2,1,0]=4 840 B6R0.2 CN(C)CC(N)=S Amb21912622 [1,0,0,0,0,0|2,1,0]=4 841 B6R0.2 CN(C)CC(N)=S Amb534722 [1,0,0,0,0,0|2,1,0]=4 842 B6R0.2 CN(C)NC(=O)Cl Amb35637051 [1,0,0,0,0,0|3,0,0]=4 843 B6R0.2 CN(C)NC(N)=O Amb24325231 [1,0,0,0,0,0|3,0,0]=4 844 B6R0.2 CN(N)CC(=O)O Amb23592296 [1,0,0,0,0,0|2,0,0]=3 845 B6R0.2 CN(O)CC(=O)O Amb29838290 [1,0,0,0,0,0|2,0,0]=3 846 B6R0.2 CS(=O)CC(N)=O Amb24394100 [1,0,0,0,0,0|3,0,0]=4 847 B6R0.2 CS(C)=NC(N)=O Amb27837994 [1,0,0,0,0,0|3,0,0]=4 848 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [1,0,0,0,0,0|1,0,0]=2 849 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [1,0,0,0,0,0|1,0,0]=2 850 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [1,0,0,0,0,0|1,0,0]=2 851 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [1,0,0,0,0,0|1,0,0]=2 852 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [1,0,0,0,0,0|1,0,0]=2 853 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [1,0,0,0,0,0|1,0,1]=3 854 B6R0.2 C[C@@H](O)CN(C)C Amb22746407 [1,0,0,0,0,0|2,0,1]=4 855 B6R0.2 C[C@@H](O)CS(C)=O Amb27457390 [1,0,0,0,0,0|3,0,0]=4 856 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [1,0,0,0,0,0|1,0,0]=2 857 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [1,0,0,0,0,0|1,0,0]=2 858 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [1,0,0,0,0,0|1,0,0]=2 859 B6R0.2 C[C@H](N)CC(N)=O Amb27873963 [1,0,0,0,0,0|2,0,0]=3 860 B6R0.2 C[C@H](N)C[C@H](C)O Amb27593805 [1,0,0,0,0,0|2,0,1]=4 861 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [1,0,0,0,0,0|1,0,0]=2 862 B6R0.2 C[C@H](O)C[C@@H](C)F Amb27486566 [1,0,0,0,0,0|2,0,1]=4 863 B6R0.2 C[C@H](O)C[C@@H](C)O Amb27273041 [1,0,0,0,0,0|2,0,1]=4 864 B6R0.2 C[C@H](O)C[C@H](C)I Amb28042894 [1,0,0,0,0,0|2,0,1]=4 865 B6R0.2 C[C@H](O)C[C@H](C)O Amb20242416 [1,0,0,0,0,0|2,0,1]=4 866 B6R0.2 C[NH+](C)CC(=O)Cl Amb24113885 [1,0,0,0,0,0|2,0,0]=3 867 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [1,0,0,0,0,0|1,0,0]=2 868 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [1,0,0,0,0,0|1,0,0]=2 869 B6R0.2 C[S+](C)CC(=O)[O-] Amb26065720 [1,0,0,0,0,0|1,0,1]=3 870 B6R0.2 C\C(Cl)=C/C(=O)O Amb18123483 [1,0,0,0,0,0|1,0,2]=4 871 B6R0.2 C\C(Cl)=C\C(=O)O Amb28050474 [1,0,0,0,0,0|1,0,2]=4 872 B6R0.2 C\C(F)=C/C(=O)O Amb27185433 [1,0,0,0,0,0|1,0,2]=4 873 B6R0.2 C\C(I)=C/C(=O)O Amb33329900 [1,0,0,0,0,0|1,0,2]=4 874 B6R0.2 C\C(I)=C\C(=O)O Amb24741877 [1,0,0,0,0,0|1,0,2]=4 875 B6R0.2 C\C(N)=C/C(=O)O Amb27421114 [1,0,0,0,0,0|1,0,2]=4 876 B6R0.2 NC(=O)CC(=O)O Amb4034884 [1,0,0,0,0,0|2,0,1]=4 877 B6R0.2 NC(=O)CC(F)F Amb28401488 [1,0,0,0,0,0|3,0,0]=4 878 B6R0.2 NC(=S)CC(=O)O Amb17465742 [1,0,0,0,0,0|2,0,1]=4 879 B6R0.2 NC(S)CC(=O)O Amb27391244 [1,0,0,0,0,0|2,0,0]=3 880 B6R0.2 O=C(O)CB(O)O Amb24053058 [1,0,0,0,0,0|3,0,0]=4 881 B6R0.2 O=C(O)CC(=O)Cl Amb26946943 [1,0,0,0,0,0|2,0,1]=4 882 B6R0.2 O=C(O)CC(=O)O Amb2689065 [1,0,0,0,0,0|2,0,1]=4 883 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [1,0,0,0,0,0|2,0,0]=3 884 B6R0.2 O=C(O)CC(F)F Amb22001551 [1,0,0,0,0,0|2,0,0]=3 885 B6R0.2 O=C(O)CS(=O)O Amb27788997 [1,0,0,0,0,0|3,0,0]=4 886 B6R0.2 O=C([O-])CC(F)F Amb24117960 [1,0,0,0,0,0|2,0,1]=4 887 B6R0.2 O=S(O)CC(F)F Amb30035176 [1,0,0,0,0,0|3,0,0]=4 888 B6R0.2 OC(=S)CC(F)F Amb34179023 [1,0,0,0,0,0|2,1,0]=4 889 B6R0.4 C#CCCC(=O)Cl Amb26949181 [1,0,0,0,0,0|1,0,2]=4 890 B6R0.4 C#CCCC(=O)O Amb33532622 [1,0,0,0,0,0|0,0,2]=3 891 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [1,0,0,0,0,0|0,0,3]=4 892 B6R0.4 C#CCCC(C)=O Amb8869638 [1,0,0,0,0,0|1,0,2]=4 893 B6R0.4 C=C(Br)CCCCl Amb28320778 [1,0,0,0,0,0|3,0,0]=4 894 B6R0.4 C=C(Br)CCCN Amb27219336 [1,0,0,0,0,0|3,0,0]=4 895 B6R0.4 C=C(Br)CCCO Amb27471781 [1,0,0,0,0,0|3,0,0]=4 896 B6R0.4 C=C(Br)CSCC Amb28063803 [1,0,0,0,0,0|3,0,0]=4 897 B6R0.4 C=C(C)CCCBr Amb22886717 [1,0,0,0,0,0|3,0,0]=4 898 B6R0.4 C=C(C)CCCC Amb2721685 [1,0,0,0,0,0|2,0,0]=3 899 B6R0.4 C=C(C)CCCCl Amb24089299 [1,0,0,0,0,0|3,0,0]=4 900 B6R0.4 C=C(C)CCCN Amb24761452 [1,0,0,0,0,0|3,0,0]=4 901 B6R0.4 C=C(C)CCCN Amb33534233 [1,0,0,0,0,0|3,0,0]=4 902 B6R0.4 C=C(C)CCCO Amb22886814 [1,0,0,0,0,0|3,0,0]=4 903 B6R0.4 C=C(C)CCCS Amb33198962 [1,0,0,0,0,0|3,0,0]=4 904 B6R0.4 C=C(C)CCNC Amb18993045 [1,0,0,0,0,0|3,0,0]=4 905 B6R0.4 C=C(C)CCOC Amb33546340 [1,0,0,0,0,0|3,0,0]=4 906 B6R0.4 C=C(C)CCSC Amb28400079 [1,0,0,0,0,0|3,0,0]=4 907 B6R0.4 C=C(C)CNCC Amb3940049 [1,0,0,0,0,0|3,0,0]=4 908 B6R0.4 C=C(Cl)CCCBr Amb25811643 [1,0,0,0,0,0|3,0,0]=4 909 B6R0.4 C=C(Cl)CCCCl Amb24635037 [1,0,0,0,0,0|3,0,0]=4 910 B6R0.4 C=C(Cl)CCCN Amb27413032 [1,0,0,0,0,0|3,0,0]=4 911 B6R0.4 C=C(Cl)CCCO Amb28065233 [1,0,0,0,0,0|3,0,0]=4 912 B6R0.4 C=C(Cl)CSCC Amb27972493 [1,0,0,0,0,0|3,0,0]=4 913 B6R0.4 C=C(F)CCCO Amb25811029 [1,0,0,0,0,0|3,0,0]=4 914 B6R0.4 C=C(I)CCCCl Amb27239930 [1,0,0,0,0,0|3,0,0]=4 915 B6R0.4 C=C=CCC(=O)O Amb26657414 [1,0,0,0,0,0|0,0,3]=4 916 B6R0.4 C=CCCC(=O)Cl Amb3939003 [1,0,0,0,0,0|1,0,2]=4 917 B6R0.4 C=CCCC(=O)O Amb3940112 [1,0,0,0,0,0|0,0,2]=3 918 B6R0.4 C=CCCC(C)=O Amb2721704 [1,0,0,0,0,0|1,0,2]=4 919 B6R0.4 C=CCCC(N)=O Amb28136349 [1,0,0,0,0,0|1,0,2]=4 920 B6R0.4 C=CNCC(=O)O Amb28346027 [1,0,0,0,0,0|1,0,2]=4 921 B6R0.4 C=COCC(=O)O Amb27247261 [1,0,0,0,0,0|1,0,2]=4 922 B6R0.4 CC#CCC(=O)O Amb17939740 [1,0,0,0,0,0|0,0,2]=3 923 B6R0.4 CC#CCC(C)=O Amb27648528 [1,0,0,0,0,0|1,0,2]=4 924 B6R0.4 CC(=O)CCC#N Amb17334046 [1,0,0,0,0,0|2,0,1]=4 925 B6R0.4 CC(=O)CCC=O Amb18639597 [1,0,0,0,0,0|2,0,1]=4 926 B6R0.4 CC(=O)CCCBr Amb8394105 [1,0,0,0,0,0|2,0,0]=3 927 B6R0.4 CC(=O)CCCCl Amb3940272 [1,0,0,0,0,0|2,0,0]=3 928 B6R0.4 CC(=O)CCCF Amb25068187 [1,0,0,0,0,0|2,0,0]=3 929 B6R0.4 CC(=O)CCCN Amb18121547 [1,0,0,0,0,0|2,0,0]=3 930 B6R0.4 CC(=O)CCCN Amb32661221 [1,0,0,0,0,0|2,0,0]=3 931 B6R0.4 CC(=O)CCCN Amb32661286 [1,0,0,0,0,0|2,0,0]=3 932 B6R0.4 CC(=O)CCCO Amb3940340 [1,0,0,0,0,0|2,0,0]=3 933 B6R0.4 CC(=O)NCCBr Amb4311522 [1,0,0,0,0,0|3,0,0]=4 934 B6R0.4 CC(=O)NCCCl Amb423758 [1,0,0,0,0,0|3,0,0]=4 935 B6R0.4 CC(=O)NCCN Amb1218225 [1,0,0,0,0,0|3,0,0]=4 936 B6R0.4 CC(=O)NCCO Amb2720909 [1,0,0,0,0,0|3,0,0]=4 937 B6R0.4 CC(=O)NCCS Amb22230992 [1,0,0,0,0,0|3,0,0]=4 938 B6R0.4 CC(=O)OCCBr Amb3940209 [1,0,0,0,0,0|3,0,0]=4 939 B6R0.4 CC(=O)OCCN Amb18121947 [1,0,0,0,0,0|3,0,0]=4 940 B6R0.4 CC(=O)OCCN Amb28827650 [1,0,0,0,0,0|3,0,0]=4 941 B6R0.4 CC(=O)OCCO Amb3941004 [1,0,0,0,0,0|3,0,0]=4 942 B6R0.4 CC(=O)SCCBr Amb24608039 [1,0,0,0,0,0|3,0,0]=4 943 B6R0.4 CC(=O)SCCN Amb21953963 [1,0,0,0,0,0|3,0,0]=4 944 B6R0.4 CC(=O)SCCN Amb22011516 [1,0,0,0,0,0|3,0,0]=4 945 B6R0.4 CC(=O)SCCN Amb31291049 [1,0,0,0,0,0|3,0,0]=4 946 B6R0.4 CC(=O)SCCO Amb27481182 [1,0,0,0,0,0|3,0,0]=4 947 B6R0.4 CC(O)CCCBr Amb25889007 [1,0,0,0,0,0|2,0,1]=4 948 B6R0.4 CC(O)CCCCl Amb22270232 [1,0,0,0,0,0|2,0,1]=4 949 B6R0.4 CC(O)CCCF Amb24385806 [1,0,0,0,0,0|2,0,1]=4 950 B6R0.4 CC(O)CCCN Amb8630414 [1,0,0,0,0,0|2,0,1]=4 951 B6R0.4 CC(O)CCCO Amb22227752 [1,0,0,0,0,0|2,0,1]=4 952 B6R0.4 CC=C=CC(=O)O Amb17593065 [1,0,0,0,0,0|0,0,3]=4 953 B6R0.4 CCC#CC(=O)O Amb6336503 [1,0,0,0,0,0|0,0,2]=3 954 B6R0.4 CCC#CC(C)=O Amb2721702 [1,0,0,0,0,0|1,0,2]=4 955 B6R0.4 CCCC=C(C)C Amb4035860 [1,0,0,0,0,0|2,0,1]=4 956 B6R0.4 CCCCB(Cl)Cl Amb22230362 [1,0,0,0,0,0|3,0,0]=4 957 B6R0.4 CCCCB(F)F Amb27268214 [1,0,0,0,0,0|3,0,0]=4 958 B6R0.4 CCCCB(O)O Amb2447142 [1,0,0,0,0,0|1,0,1]=3 959 B6R0.4 CCCCC(=N)N Amb10066937 [1,0,0,0,0,0|2,0,0]=3 960 B6R0.4 CCCCC(=N)N Amb2696360 [1,0,0,0,0,0|2,0,0]=3 961 B6R0.4 CCCCC(=O)Cl Amb3939066 [1,0,0,0,0,0|1,0,0]=2 962 B6R0.4 CCCCC(=O)O Amb3939877 [1,0,0,0,0,0|0,0,0]=1 963 B6R0.4 CCCCC(=O)[O-] Amb22056343 [1,0,0,0,0,0|0,0,1]=2 964 B6R0.4 CCCCC(=S)S Amb27195855 [1,0,0,0,0,0|0,2,0]=3 965 B6R0.4 CCCCC(C)=O Amb6608652 [1,0,0,0,0,0|1,0,0]=2 966 B6R0.4 CCCCC(C)Br Amb4015489 [1,0,0,0,0,0|2,0,1]=4 967 B6R0.4 CCCCC(C)C Amb8513255 [1,0,0,0,0,0|2,0,1]=4 968 B6R0.4 CCCCC(C)I Amb17673919 [1,0,0,0,0,0|2,0,1]=4 969 B6R0.4 CCCCC(C)N Amb33527132 [1,0,0,0,0,0|2,0,1]=4 970 B6R0.4 CCCCC(C)N Amb33532410 [1,0,0,0,0,0|2,0,1]=4 971 B6R0.4 CCCCC(C)O Amb4605977 [1,0,0,0,0,0|1,0,1]=3 972 B6R0.4 CCCCC(C)S Amb26326801 [1,0,0,0,0,0|1,1,1]=4 973 B6R0.4 CCCCC(Cl)Br Amb28050002 [1,0,0,0,0,0|2,0,1]=4 974 B6R0.4 CCCCC(Cl)Cl Amb26420376 [1,0,0,0,0,0|2,0,1]=4 975 B6R0.4 CCCCC(F)Br Amb27211132 [1,0,0,0,0,0|2,0,1]=4 976 B6R0.4 CCCCC(N)=O Amb6891958 [1,0,0,0,0,0|1,0,0]=2 977 B6R0.4 CCCCC(N)=S Amb6249558 [1,0,0,0,0,0|1,1,0]=3 978 B6R0.4 CCCCN(C)N Amb22730468 [1,0,0,0,0,0|3,0,0]=4 979 B6R0.4 CCCCN(C)O Amb33204268 [1,0,0,0,0,0|2,0,0]=3 980 B6R0.4 CCCCP(Cl)Cl Amb25051489 [1,0,0,0,0,0|3,0,0]=4 981 B6R0.4 CCCCS(=O)Cl Amb24551332 [1,0,0,0,0,0|2,0,0]=3 982 B6R0.4 CCCCS(=O)[O-] Amb19889352 [1,0,0,0,0,0|1,0,1]=3 983 B6R0.4 CCCCS(N)=O Amb32720302 [1,0,0,0,0,0|2,0,0]=3 984 B6R0.4 CCCC[C@@H](C)N Amb20242479 [1,0,0,0,0,0|2,0,1]=4 985 B6R0.4 CCCC[C@@H](C)O Amb19929139 [1,0,0,0,0,0|1,0,1]=3 986 B6R0.4 CCCC[C@H](C)N Amb20242478 [1,0,0,0,0,0|2,0,1]=4 987 B6R0.4 CCCC[C@H](C)O Amb8515092 [1,0,0,0,0,0|1,0,1]=3 988 B6R0.4 CCCC[N+](=O)[O-] Amb6298783 [1,0,0,0,0,0|1,0,1]=3 989 B6R0.4 CCCC[PH](=O)O Amb8391286 [1,0,0,0,0,0|1,0,0]=2 990 B6R0.4 CCCC[SiH](C)C Amb9807507 [1,0,0,0,0,0|2,1,0]=4 991 B6R0.4 CCCNC(=N)N Amb10844865 [1,0,0,0,0,0|3,0,0]=4 992 B6R0.4 CCCNC(=N)N Amb20667746 [1,0,0,0,0,0|3,0,0]=4 993 B6R0.4 CCCNC(=O)Cl Amb25688616 [1,0,0,0,0,0|2,0,0]=3 994 B6R0.4 CCCNC(=S)S Amb28128280 [1,0,0,0,0,0|1,2,0]=4 995 B6R0.4 CCCNC(C)=O Amb5835710 [1,0,0,0,0,0|2,0,0]=3 996 B6R0.4 CCCNC(N)=O Amb1152241 [1,0,0,0,0,0|2,0,0]=3 997 B6R0.4 CCCNC(N)=S Amb1152085 [1,0,0,0,0,0|2,1,0]=4 998 B6R0.4 CCCN[N+](=O)[O-] Amb21953652 [1,0,0,0,0,0|2,0,1]=4 999 B6R0.4 CCCOC(=O)Cl Amb10604123 [1,0,0,0,0,0|2,0,0]=3 1000 B6R0.4 CCCOC(=O)F Amb32667886 [1,0,0,0,0,0|2,0,0]=3 1001 B6R0.4 CCCOC(=S)[S-] Amb594778 [1,0,0,0,0,0|1,2,0]=4 1002 B6R0.4 CCCOC(N)=O Amb6334809 [1,0,0,0,0,0|2,0,0]=3 1003 B6R0.4 CCCO[N+](=O)[O-] Amb22732564 [1,0,0,0,0,0|2,0,1]=4 1004 B6R0.4 CCCSC(=N)N Amb20676008 [1,0,0,0,0,0|3,0,0]=4 1005 B6R0.4 CCCSC(=N)N Amb23482968 [1,0,0,0,0,0|3,0,0]=4 1006 B6R0.4 CCCSC(C)=O Amb22043301 [1,0,0,0,0,0|2,0,0]=3 1007 B6R0.4 CCCSC(N)=O Amb27167907 [1,0,0,0,0,0|2,0,0]=3 1008 B6R0.4 CCNCC(=N)N Amb28050789 [1,0,0,0,0,0|3,0,0]=4 1009 B6R0.4 CCNCC(=O)Cl Amb27948279 [1,0,0,0,0,0|2,0,0]=3 1010 B6R0.4 CCNCC(=O)O Amb10609667 [1,0,0,0,0,0|1,0,0]=2 1011 B6R0.4 CCNCC(=O)O Amb7764661 [1,0,0,0,0,0|1,0,0]=2 1012 B6R0.4 CCNCC(C)=O Amb24545893 [1,0,0,0,0,0|2,0,0]=3 1013 B6R0.4 CCNCC(C)=O Amb32661185 [1,0,0,0,0,0|2,0,0]=3 1014 B6R0.4 CCNCC(C)O Amb32666214 [1,0,0,0,0,0|2,0,1]=4 1015 B6R0.4 CCNCC(C)O Amb9247475 [1,0,0,0,0,0|2,0,1]=4 1016 B6R0.4 CCNCC(N)=O Amb1128676 [1,0,0,0,0,0|2,0,0]=3 1017 B6R0.4 CCNCC(N)=O Amb4035424 [1,0,0,0,0,0|2,0,0]=3 1018 B6R0.4 CCNC[C@@H](C)O Amb27827890 [1,0,0,0,0,0|2,0,1]=4 1019 B6R0.4 CCNC[C@@H](C)O Amb32652513 [1,0,0,0,0,0|2,0,1]=4 1020 B6R0.4 CCNC[C@H](C)O Amb25785620 [1,0,0,0,0,0|2,0,1]=4 1021 B6R0.4 CCNC[C@H](C)O Amb32652535 [1,0,0,0,0,0|2,0,1]=4 1022 B6R0.4 CCOCC(=N)N Amb19890012 [1,0,0,0,0,0|3,0,0]=4 1023 B6R0.4 CCOCC(=N)N Amb6268669 [1,0,0,0,0,0|3,0,0]=4 1024 B6R0.4 CCOCC(=O)Cl Amb33528415 [1,0,0,0,0,0|2,0,0]=3 1025 B6R0.4 CCOCC(=O)O Amb3939880 [1,0,0,0,0,0|1,0,0]=2 1026 B6R0.4 CCOCC(=O)S Amb27813482 [1,0,0,0,0,0|1,1,0]=3 1027 B6R0.4 CCOCC(C)=O Amb9666086 [1,0,0,0,0,0|2,0,0]=3 1028 B6R0.4 CCOCC(C)O Amb33535096 [1,0,0,0,0,0|2,0,1]=4 1029 B6R0.4 CCOCC(N)=S Amb6276655 [1,0,0,0,0,0|2,1,0]=4 1030 B6R0.4 CCOC[C@@H](C)O Amb27203934 [1,0,0,0,0,0|2,0,1]=4 1031 B6R0.4 CCONC(C)=O Amb22230675 [1,0,0,0,0,0|3,0,0]=4 1032 B6R0.4 CCPCC(=O)O Amb28321137 [1,0,0,0,0,0|1,0,0]=2 1033 B6R0.4 CCSCC(=N)N Amb6680834 [1,0,0,0,0,0|3,0,0]=4 1034 B6R0.4 CCSCC(=O)O Amb1125185 [1,0,0,0,0,0|1,0,0]=2 1035 B6R0.4 CCSCC(C)=O Amb4018179 [1,0,0,0,0,0|2,0,0]=3 1036 B6R0.4 CCSCC(N)=S Amb27188472 [1,0,0,0,0,0|2,1,0]=4 1037 B6R0.4 CCSC[C@@H](C)O Amb26059442 [1,0,0,0,0,0|2,0,1]=4 1038 B6R0.4 CCSC[C@H](C)O Amb25220206 [1,0,0,0,0,0|2,0,1]=4 1039 B6R0.4 CC\C=C/C(=O)O Amb28429841 [1,0,0,0,0,0|0,0,2]=3 1040 B6R0.4 CC\C=C/C(C)=O Amb27835645 [1,0,0,0,0,0|1,0,2]=4 1041 B6R0.4 CC\C=C\C(=O)Cl Amb2690073 [1,0,0,0,0,0|1,0,2]=4 1042 B6R0.4 CC\C=C\C(=O)O Amb6608967 [1,0,0,0,0,0|0,0,2]=3 1043 B6R0.4 CC\C=C\C(C)=O Amb26022886 [1,0,0,0,0,0|1,0,2]=4 1044 B6R0.4 CC\C=C\C(N)=O Amb25770876 [1,0,0,0,0,0|1,0,2]=4 1045 B6R0.4 CC\N=C\C(=O)O Amb28041425 [1,0,0,0,0,0|1,0,1]=3 1046 B6R0.4 CC\N=C\C(C)=O Amb27854982 [1,0,0,0,0,0|2,0,1]=4 1047 B6R0.4 CN(O)CCCF Amb33480871 [1,0,0,0,0,0|3,0,0]=4 1048 B6R0.4 CNCCC(=O)Cl Amb27422890 [1,0,0,0,0,0|2,0,0]=3 1049 B6R0.4 CNCCC(=O)O Amb10609760 [1,0,0,0,0,0|1,0,0]=2 1050 B6R0.4 CNCCC(=O)O Amb7766400 [1,0,0,0,0,0|1,0,0]=2 1051 B6R0.4 CNCCC(C)=O Amb24560306 [1,0,0,0,0,0|2,0,0]=3 1052 B6R0.4 CNCCC(C)=O Amb28827637 [1,0,0,0,0,0|2,0,0]=3 1053 B6R0.4 CNCCC(C)O Amb17569889 [1,0,0,0,0,0|2,0,1]=4 1054 B6R0.4 CNCCC(C)O Amb34141241 [1,0,0,0,0,0|2,0,1]=4 1055 B6R0.4 CNCCC(N)=O Amb19959913 [1,0,0,0,0,0|2,0,0]=3 1056 B6R0.4 CNCCC(N)=O Amb33538309 [1,0,0,0,0,0|2,0,0]=3 1057 B6R0.4 CNCCN(C)O Amb27628863 [1,0,0,0,0,0|3,0,0]=4 1058 B6R0.4 CNCCS(C)=O Amb21984676 [1,0,0,0,0,0|3,0,0]=4 1059 B6R0.4 CNCC[C@H](C)O Amb27801301 [1,0,0,0,0,0|2,0,1]=4 1060 B6R0.4 CNCC[N+](=O)[O-] Amb35704404 [1,0,0,0,0,0|2,0,1]=4 1061 B6R0.4 COCCB(O)O Amb27173037 [1,0,0,0,0,0|2,0,1]=4 1062 B6R0.4 COCCC(=N)N Amb2696283 [1,0,0,0,0,0|3,0,0]=4 1063 B6R0.4 COCCC(=N)N Amb8630184 [1,0,0,0,0,0|3,0,0]=4 1064 B6R0.4 COCCC(=O)Cl Amb2689274 [1,0,0,0,0,0|2,0,0]=3 1065 B6R0.4 COCCC(=O)O Amb3938990 [1,0,0,0,0,0|1,0,0]=2 1066 B6R0.4 COCCC(C)=O Amb7764907 [1,0,0,0,0,0|2,0,0]=3 1067 B6R0.4 COCCC(C)O Amb20621489 [1,0,0,0,0,0|2,0,1]=4 1068 B6R0.4 COCCC(N)=O Amb33538943 [1,0,0,0,0,0|2,0,0]=3 1069 B6R0.4 COCCC(N)=S Amb6250669 [1,0,0,0,0,0|2,1,0]=4 1070 B6R0.4 COCCC(O)Br Amb20242943 [1,0,0,0,0,0|2,0,1]=4 1071 B6R0.4 COCCC(O)O Amb28410462 [1,0,0,0,0,0|1,0,2]=4 1072 B6R0.4 COCCN(C)O Amb33428857 [1,0,0,0,0,0|3,0,0]=4 1073 B6R0.4 COCCS(=O)Cl Amb25914790 [1,0,0,0,0,0|3,0,0]=4 1074 B6R0.4 COCCS(=O)[O-] Amb26874008 [1,0,0,0,0,0|2,0,1]=4 1075 B6R0.4 COCCS(N)=O Amb32720336 [1,0,0,0,0,0|3,0,0]=4 1076 B6R0.4 COCC[C@@H](C)O Amb27237141 [1,0,0,0,0,0|2,0,1]=4 1077 B6R0.4 COCC[C@H](C)O Amb26559043 [1,0,0,0,0,0|2,0,1]=4 1078 B6R0.4 COCNC(N)=O Amb25744350 [1,0,0,0,0,0|3,0,0]=4 1079 B6R0.4 CONCC(N)=O Amb28455463 [1,0,0,0,0,0|3,0,0]=4 1080 B6R0.4 CO\C=C\C(=O)O Amb18121767 [1,0,0,0,0,0|1,0,2]=4 1081 B6R0.4 CO\N=C\C(=O)O Amb10976081 [1,0,0,0,0,0|2,0,1]=4 1082 B6R0.4 CS(=O)CCCN Amb18974527 [1,0,0,0,0,0|3,0,0]=4 1083 B6R0.4 CS(=O)CCCN Amb32684177 [1,0,0,0,0,0|3,0,0]=4 1084 B6R0.4 CSC#CC(=O)O Amb33309663 [1,0,0,0,0,0|1,0,2]=4 1085 B6R0.4 CSCCC(=N)N Amb19373501 [1,0,0,0,0,0|3,0,0]=4 1086 B6R0.4 CSCCC(=N)N Amb19516878 [1,0,0,0,0,0|3,0,0]=4 1087 B6R0.4 CSCCC(=O)O Amb3939879 [1,0,0,0,0,0|1,0,0]=2 1088 B6R0.4 CSCCC(C)=O Amb8392858 [1,0,0,0,0,0|2,0,0]=3 1089 B6R0.4 CSCCC(C)O Amb27860401 [1,0,0,0,0,0|2,0,1]=4 1090 B6R0.4 CSCCC(N)=S Amb17307559 [1,0,0,0,0,0|2,1,0]=4 1091 B6R0.4 CSCCN(=O)=O Amb24179458 [1,0,0,0,0,0|2,0,1]=4 1092 B6R0.4 CSCCN(C)O Amb33272058 [1,0,0,0,0,0|3,0,0]=4 1093 B6R0.4 CSCC[C@@H](C)O Amb33198759 [1,0,0,0,0,0|2,0,1]=4 1094 B6R0.4 CSCC[C@H](C)O Amb33198747 [1,0,0,0,0,0|2,0,1]=4 1095 B6R0.4 CSCSC(C)=O Amb27876851 [1,0,0,0,0,0|3,0,0]=4 1096 B6R0.4 CSSCC(=O)O Amb25378801 [1,0,0,0,0,0|2,0,0]=3 1097 B6R0.4 CS\C=C\C(=O)O Amb30584688 [1,0,0,0,0,0|1,0,2]=4 1098 B6R0.4 C[C@@H](O)CCCCl Amb22801499 [1,0,0,0,0,0|2,0,1]=4 1099 B6R0.4 C[C@@H](O)CCCF Amb33376908 [1,0,0,0,0,0|2,0,1]=4 1100 B6R0.4 C[C@@H](O)CCCO Amb28047449 [1,0,0,0,0,0|2,0,1]=4 1101 B6R0.4 C[C@H](O)CCCF Amb33376887 [1,0,0,0,0,0|2,0,1]=4 1102 B6R0.4 C\C=C\CC(=O)O Amb3941538 [1,0,0,0,0,0|0,0,2]=3 1103 B6R0.4 C\C=C\CC(N)=O Amb26589975 [1,0,0,0,0,0|1,0,2]=4 1104 B6R0.4 C\N=C\CC(C)=O Amb28202181 [1,0,0,0,0,0|2,0,1]=4 1105 B6R0.4 N#CCCC(=O)Cl Amb25106570 [1,0,0,0,0,0|2,0,1]=4 1106 B6R0.4 N#CCCC(=O)O Amb2694975 [1,0,0,0,0,0|1,0,1]=3 1107 B6R0.4 N#CCCC(N)=O Amb8841150 [1,0,0,0,0,0|2,0,1]=4 1108 B6R0.4 N=C(N)CCCBr Amb4297022 [1,0,0,0,0,0|3,0,0]=4 1109 B6R0.4 N=C(N)CCCCl Amb4297061 [1,0,0,0,0,0|3,0,0]=4 1110 B6R0.4 N=C(N)CCCF Amb27231400 [1,0,0,0,0,0|3,0,0]=4 1111 B6R0.4 N=C(N)CCCN Amb25888970 [1,0,0,0,0,0|3,0,0]=4 1112 B6R0.4 N=C(N)CCCN Amb33299271 [1,0,0,0,0,0|3,0,0]=4 1113 B6R0.4 N=C(N)CCCO Amb33038287 [1,0,0,0,0,0|3,0,0]=4 1114 B6R0.4 N=CNCC(=O)O Amb24670244 [1,0,0,0,0,0|2,0,1]=4 1115 B6R0.4 NC(=O)CCCCl Amb1138237 [1,0,0,0,0,0|2,0,0]=3 1116 B6R0.4 NC(=O)CCCF Amb28073400 [1,0,0,0,0,0|2,0,0]=3 1117 B6R0.4 NC(=O)CCCO Amb20623438 [1,0,0,0,0,0|2,0,0]=3 1118 B6R0.4 NC(=O)CCCS Amb27174778 [1,0,0,0,0,0|2,0,0]=3 1119 B6R0.4 NC(=O)NCCBr Amb28385599 [1,0,0,0,0,0|3,0,0]=4 1120 B6R0.4 NC(=O)NCCF Amb27446994 [1,0,0,0,0,0|3,0,0]=4 1121 B6R0.4 NC(=O)NCCI Amb27454955 [1,0,0,0,0,0|3,0,0]=4 1122 B6R0.4 NC(=O)NCCO Amb1146041 [1,0,0,0,0,0|3,0,0]=4 1123 B6R0.4 NC(=O)OCCCl Amb3940645 [1,0,0,0,0,0|3,0,0]=4 1124 B6R0.4 NC(=O)OCCO Amb20623788 [1,0,0,0,0,0|3,0,0]=4 1125 B6R0.4 NC(=O)SCCCl Amb27619850 [1,0,0,0,0,0|3,0,0]=4 1126 B6R0.4 NC(=S)CCCBr Amb33328371 [1,0,0,0,0,0|2,1,0]=4 1127 B6R0.4 NC(=S)CCCCl Amb33328364 [1,0,0,0,0,0|2,1,0]=4 1128 B6R0.4 NC(=S)CCCO Amb9215001 [1,0,0,0,0,0|2,1,0]=4 1129 B6R0.4 NCC#CC(=O)O Amb25703096 [1,0,0,0,0,0|1,0,2]=4 1130 B6R0.4 NCC#CC(=O)O Amb32666878 [1,0,0,0,0,0|1,0,2]=4 1131 B6R0.4 NCCCB(O)O Amb25878196 [1,0,0,0,0,0|2,0,1]=4 1132 B6R0.4 NCCCB(O)O Amb33339111 [1,0,0,0,0,0|2,0,1]=4 1133 B6R0.4 NCCCC(=O)Cl Amb1935063 [1,0,0,0,0,0|2,0,0]=3 1134 B6R0.4 NCCCC(=O)O Amb1935210 [1,0,0,0,0,0|1,0,0]=2 1135 B6R0.4 NCCCC(N)=O Amb2099583 [1,0,0,0,0,0|2,0,0]=3 1136 B6R0.4 NCCCC(N)=O Amb6543438 [1,0,0,0,0,0|2,0,0]=3 1137 B6R0.4 NCCCS(=O)O Amb25185942 [1,0,0,0,0,0|2,0,0]=3 1138 B6R0.4 NCCC[N+](=O)[O-] Amb18833132 [1,0,0,0,0,0|2,0,1]=4 1139 B6R0.4 NCCC[PH](=O)O Amb22370049 [1,0,0,0,0,0|2,0,0]=3 1140 B6R0.4 NCCNC(N)=O Amb19374121 [1,0,0,0,0,0|3,0,0]=4 1141 B6R0.4 NCCNC(N)=O Amb32665340 [1,0,0,0,0,0|3,0,0]=4 1142 B6R0.4 NCCNC(N)=O Amb6254968 [1,0,0,0,0,0|3,0,0]=4 1143 B6R0.4 NCCOC(N)=O Amb22059480 [1,0,0,0,0,0|3,0,0]=4 1144 B6R0.4 NCCOC(N)=O Amb24271076 [1,0,0,0,0,0|3,0,0]=4 1145 B6R0.4 NCCOS(=O)O Amb25843211 [1,0,0,0,0,0|3,0,0]=4 1146 B6R0.4 NCCO[PH](=O)O Amb28046334 [1,0,0,0,0,0|3,0,0]=4 1147 B6R0.4 NC\C=C/C(=O)O Amb24117018 [1,0,0,0,0,0|1,0,2]=4 1148 B6R0.4 NC\C=C\C(=O)O Amb33422010 [1,0,0,0,0,0|1,0,2]=4 1149 B6R0.4 NC\C=C\C(=O)O Amb33422035 [1,0,0,0,0,0|1,0,2]=4 1150 B6R0.4 NNCCC(=O)O Amb33756816 [1,0,0,0,0,0|2,0,0]=3 1151 B6R0.4 NOCCC(=O)O Amb17569891 [1,0,0,0,0,0|2,0,0]=3 1152 B6R0.4 NOCCC(=O)O Amb32693437 [1,0,0,0,0,0|2,0,0]=3 1153 B6R0.4 NOCCC(N)=O Amb27838275 [1,0,0,0,0,0|3,0,0]=4 1154 B6R0.4 NS(=O)CCCBr Amb32720400 [1,0,0,0,0,0|3,0,0]=4 1155 B6R0.4 NS(=O)CCCCl Amb32720303 [1,0,0,0,0,0|3,0,0]=4 1156 B6R0.4 NS(=O)CCCF Amb32720390 [1,0,0,0,0,0|3,0,0]=4 1157 B6R0.4 O=C(Br)CCCBr Amb25724818 [1,0,0,0,0,0|2,0,0]=3 1158 B6R0.4 O=C(Cl)CCCBr Amb3940241 [1,0,0,0,0,0|2,0,0]=3 1159 B6R0.4 O=C(Cl)CCCCl Amb6608638 [1,0,0,0,0,0|2,0,0]=3 1160 B6R0.4 O=C(Cl)NCCBr Amb28123956 [1,0,0,0,0,0|3,0,0]=4 1161 B6R0.4 O=C(Cl)NCCCl Amb24479815 [1,0,0,0,0,0|3,0,0]=4 1162 B6R0.4 O=C(Cl)NCCF Amb35633248 [1,0,0,0,0,0|3,0,0]=4 1163 B6R0.4 O=C(Cl)OCCBr Amb8514406 [1,0,0,0,0,0|3,0,0]=4 1164 B6R0.4 O=C(Cl)OCCCl Amb6608837 [1,0,0,0,0,0|3,0,0]=4 1165 B6R0.4 O=C(Cl)OCCF Amb21618836 [1,0,0,0,0,0|3,0,0]=4 1166 B6R0.4 O=C(O)C#CCCl Amb33544591 [1,0,0,0,0,0|1,0,2]=4 1167 B6R0.4 O=C(O)C#CCI Amb27860307 [1,0,0,0,0,0|1,0,2]=4 1168 B6R0.4 O=C(O)C#CCO Amb22002375 [1,0,0,0,0,0|1,0,2]=4 1169 B6R0.4 O=C(O)CCCBr Amb8393276 [1,0,0,0,0,0|1,0,0]=2 1170 B6R0.4 O=C(O)CCCCl Amb3940333 [1,0,0,0,0,0|1,0,0]=2 1171 B6R0.4 O=C(O)CCCF Amb17593104 [1,0,0,0,0,0|1,0,0]=2 1172 B6R0.4 O=C(O)CCCI Amb22295911 [1,0,0,0,0,0|1,0,0]=2 1173 B6R0.4 O=C(O)CCCO Amb18640332 [1,0,0,0,0,0|1,0,0]=2 1174 B6R0.4 O=C(O)CCCS Amb16185429 [1,0,0,0,0,0|1,0,0]=2 1175 B6R0.4 O=C(O)CCNO Amb28067767 [1,0,0,0,0,0|2,0,0]=3 1176 B6R0.4 O=C(O)CCSCl Amb28387511 [1,0,0,0,0,0|2,0,0]=3 1177 B6R0.4 O=C(O)COCF Amb33378705 [1,0,0,0,0,0|2,0,0]=3 1178 B6R0.4 O=C(O)CPCO Amb28340565 [1,0,0,0,0,0|2,0,0]=3 1179 B6R0.4 O=C(O)CSSCl Amb27477882 [1,0,0,0,0,0|3,0,0]=4 1180 B6R0.4 O=C(O)C\C=C/Br Amb27483815 [1,0,0,0,0,0|1,0,2]=4 1181 B6R0.4 O=C(O)C\C=C\Cl Amb25111871 [1,0,0,0,0,0|1,0,2]=4 1182 B6R0.4 O=C(O)\C=C\CBr Amb18646194 [1,0,0,0,0,0|1,0,2]=4 1183 B6R0.4 O=C(O)\C=C\CCl Amb23399655 [1,0,0,0,0,0|1,0,2]=4 1184 B6R0.4 O=C(O)\C=C\CF Amb33470171 [1,0,0,0,0,0|1,0,2]=4 1185 B6R0.4 O=C(O)\C=C\CO Amb32662006 [1,0,0,0,0,0|1,0,2]=4 1186 B6R0.4 O=C(S)NCCO Amb27430045 [1,0,0,0,0,0|2,1,0]=4 1187 B6R0.4 O=C([O-])CCCO Amb3429667 [1,0,0,0,0,0|1,0,1]=3 1188 B6R0.4 O=C([O-])CNCO Amb8383630 [1,0,0,0,0,0|2,0,1]=4 1189 B6R0.4 O=CCCC(=O)O Amb17673897 [1,0,0,0,0,0|1,0,1]=3 1190 B6R0.4 O=CNCC(=O)O Amb1911508 [1,0,0,0,0,0|2,0,1]=4 1191 B6R0.4 O=COCC(=O)O Amb26624011 [1,0,0,0,0,0|2,0,1]=4 1192 B6R0.4 O=S(Cl)CCCBr Amb32720399 [1,0,0,0,0,0|3,0,0]=4 1193 B6R0.4 O=S(Cl)CCCCl Amb25791632 [1,0,0,0,0,0|3,0,0]=4 1194 B6R0.4 O=S(Cl)CCCF Amb32720389 [1,0,0,0,0,0|3,0,0]=4 1195 B6R0.4 O=S(O)COCO Amb27410575 [1,0,0,0,0,0|3,0,0]=4 1196 B6R0.4 O=S(O)OCCCl Amb27786730 [1,0,0,0,0,0|3,0,0]=4 1197 B6R0.4 O=S([O-])CCCBr Amb32754123 [1,0,0,0,0,0|2,0,1]=4 1198 B6R0.4 O=S([O-])CCCCl Amb26370094 [1,0,0,0,0,0|2,0,1]=4 1199 B6R0.4 O=S([O-])CCCF Amb32754093 [1,0,0,0,0,0|2,0,1]=4 1200 B6R0.4 O=S([O-])CCCO Amb27221257 [1,0,0,0,0,0|2,0,1]=4 1201 B6R0.4 O=[N+]([O-])CCCCl Amb25267487 [1,0,0,0,0,0|2,0,1]=4 1202 B6R0.4 O=[N+]([O-])CCCF Amb25234942 [1,0,0,0,0,0|2,0,1]=4 1203 B6R0.4 O=[N+]([O-])CCCO Amb20247690 [1,0,0,0,0,0|2,0,1]=4 1204 B6R0.4 O=[PH](O)CCCO Amb28345330 [1,0,0,0,0,0|2,0,0]=3 1205 B6R0.4 OB(O)CCCBr Amb24480413 [1,0,0,0,0,0|2,0,1]=4 1206 B6R0.4 OB(O)CCCCl Amb28347311 [1,0,0,0,0,0|2,0,1]=4 1207 B6R0.4 OCCCB(O)O Amb27391604 [1,0,0,0,0,0|2,0,1]=4 1208 B6R0.4 [N-]=[N+]=NCC(=O)O Amb10070956 [1,0,0,0,0,0|3,0,0]=4 1209 B8R0.2 C#C[C@@H](C)[C@H](C)C(=O)O Amb27257738 [0,1,0,0,0,0|0,0,2]=3 1210 B8R0.2 C#C[C@H](C)[C@@H](O)C(=O)O Amb27777980 [0,1,0,0,0,0|0,0,2]=3 1211 B8R0.2 C=C(C(=O)O)C(C)CC Amb18642655 [0,1,0,0,0,0|0,0,1]=2 1212 B8R0.2 C=C(C(=O)O)[C@@H](O)CC Amb28253249 [0,1,0,0,0,0|1,0,1]=3 1213 B8R0.2 C=C(C(C)=O)[C@@H](O)CC Amb27165607 [0,1,0,0,0,0|2,0,1]=4 1214 B8R0.2 C=C(C(C)=O)[C@H](C)CO Amb28202165 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.2 C=C(C(C)=O)[C@H](O)CC Amb27634796 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.2 C=C(C)C(C)C(O)CC Amb28401073 [0,1,0,0,0,0|3,0,0]=4 1217 B8R0.2 C=C(C)C(N)C(C)CC Amb27760262 [0,1,0,0,0,0|2,0,0]=3 1218 B8R0.2 C=C(C)C(N)C(C)OC Amb27593425 [0,1,0,0,0,0|3,0,0]=4 1219 B8R0.2 C=C(C)C(O)C(Cl)CC Amb28124578 [0,1,0,0,0,0|3,0,0]=4 1220 B8R0.2 C=C(C)C(O)C(N)CC Amb35624531 [0,1,0,0,0,0|3,0,0]=4 1221 B8R0.2 C=C(C)C(O)[C@@H](C)CC Amb28049235 [0,1,0,0,0,0|2,0,0]=3 1222 B8R0.2 C=C(C)C(O)[C@@H](N)CC Amb35601511 [0,1,0,0,0,0|3,0,0]=4 1223 B8R0.2 C=C(C)C(O)[C@H](C)NC Amb30038895 [0,1,0,0,0,0|3,0,0]=4 1224 B8R0.2 C=C(C)C(O)[C@H](N)CC Amb35659411 [0,1,0,0,0,0|3,0,0]=4 1225 B8R0.2 C=C(C)[C@@H](C)[C@@H](O)CC Amb28319535 [0,1,0,0,0,0|3,0,0]=4 1226 B8R0.2 C=C(C)[C@@H](O)[C@H](C)CN Amb28250843 [0,1,0,0,0,0|3,0,0]=4 1227 B8R0.2 C=C(C)[C@@H](O)[C@H](C)CO Amb27825917 [0,1,0,0,0,0|3,0,0]=4 1228 B8R0.2 C=C(C)[C@@H](O)[C@H](C)NC Amb28195357 [0,1,0,0,0,0|3,0,0]=4 1229 B8R0.2 C=C(C)[C@H](O)[C@@H](C)CO Amb28139290 [0,1,0,0,0,0|3,0,0]=4 1230 B8R0.2 C=C(O)C(O)C(=O)CC Amb28051028 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.2 C=C=C(C)C(O)C(=O)O Amb28284623 [0,1,0,0,0,0|0,0,3]=4 1232 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [0,1,0,0,0,0|0,0,2]=3 1233 B8R0.2 C=CC(C)C(C)C(N)=O Amb27835599 [0,1,0,0,0,0|1,0,2]=4 1234 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [0,1,0,0,0,0|0,0,2]=3 1235 B8R0.2 C=CC(C)C(N)C(N)=O Amb25993208 [0,1,0,0,0,0|1,0,2]=4 1236 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [0,1,0,0,0,0|0,0,2]=3 1237 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [0,1,0,0,0,0|0,0,2]=3 1238 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [0,1,0,0,0,0|0,0,2]=3 1239 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [0,1,0,0,0,0|1,0,2]=4 1240 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [0,1,0,0,0,0|1,0,2]=4 1241 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [0,1,0,0,0,0|1,0,2]=4 1242 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [0,1,0,0,0,0|1,0,2]=4 1243 B8R0.2 C=C[C@@H](C)[C@H](C)C(C)=O Amb25986022 [0,1,0,0,0,0|1,0,2]=4 1244 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [0,1,0,0,0,0|0,0,2]=3 1245 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [0,1,0,0,0,0|0,0,2]=3 1246 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [0,1,0,0,0,0|0,0,2]=3 1247 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [0,1,0,0,0,0|0,0,2]=3 1248 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [0,1,0,0,0,0|0,0,2]=3 1249 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [0,1,0,0,0,0|1,0,2]=4 1250 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [0,1,0,0,0,0|1,0,2]=4 1251 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [0,1,0,0,0,0|1,0,2]=4 1252 B8R0.2 CC(=O)C(C)C(C)C#N Amb27838666 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.2 CC(=O)C(C)C(N)CO Amb27186035 [0,1,0,0,0,0|3,0,0]=4 1255 B8R0.2 CC(=O)C(O)C(O)CO Amb26636819 [0,1,0,0,0,0|3,0,0]=4 1256 B8R0.2 CC(=O)N(C)C(C)CO Amb27628421 [0,1,0,0,0,0|3,0,0]=4 1257 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO Amb26654815 [0,1,0,0,0,0|3,0,0]=4 1258 B8R0.2 CC(=O)[C@H](O)[C@@H](O)CO Amb28201025 [0,1,0,0,0,0|3,0,0]=4 1259 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO Amb24477828 [0,1,0,0,0,0|3,0,0]=4 1260 B8R0.2 CC(C#N)C(N)C(=O)O Amb33065998 [0,1,0,0,0,0|1,0,1]=3 1261 B8R0.2 CC(C#N)C(N)C(N)=O Amb33127595 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.2 CC(C#N)[C@@H](N)C(=O)O Amb33308709 [0,1,0,0,0,0|1,0,1]=3 1263 B8R0.2 CC(C#N)[C@H](N)C(=O)O Amb33308645 [0,1,0,0,0,0|1,0,1]=3 1264 B8R0.2 CC(C(=O)O)C(N)CN Amb24532823 [0,1,0,0,0,0|2,0,0]=3 1265 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.2 CC(CCl)C(N)C(=O)O Amb27470876 [0,1,0,0,0,0|1,0,0]=2 1267 B8R0.2 CC(CN)C(C)C(=O)O Amb27217450 [0,1,0,0,0,0|1,0,0]=2 1268 B8R0.2 CC(CN)C(F)C(=O)O Amb35750952 [0,1,0,0,0,0|1,0,0]=2 1269 B8R0.2 CC(CN)C(F)C(=O)O Amb35751592 [0,1,0,0,0,0|1,0,0]=2 1270 B8R0.2 CC(CN)C(O)C(=O)O Amb18642919 [0,1,0,0,0,0|1,0,0]=2 1271 B8R0.2 CC(CN)N(C)C(N)=O Amb18251133 [0,1,0,0,0,0|3,0,0]=4 1272 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [0,1,0,0,0,0|1,0,0]=2 1273 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [0,1,0,0,0,0|1,0,0]=2 1274 B8R0.2 CC(CO)C(N)C(N)=O Amb33308985 [0,1,0,0,0,0|2,0,0]=3 1275 B8R0.2 CC(CO)C(O)[C@@H](C)O Amb28345360 [0,1,0,0,0,0|2,0,1]=4 1276 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [0,1,0,0,0,0|1,0,0]=2 1277 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [0,1,0,0,0,0|1,0,0]=2 1278 B8R0.2 CC(CS)C(C)C(=O)O Amb17593702 [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [0,1,0,0,0,0|2,0,0]=3 1280 B8R0.2 CC(O)C(C)C(C)CO Amb27218307 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.2 CC(O)[C@@H](O)[C@@H](C)CO Amb27763837 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.2 CCC(=O)C(=O)C(=O)O Amb31097725 [0,1,0,0,0,0|1,0,2]=4 1283 B8R0.2 CCC(=O)C(C)C(C)=O Amb17666954 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.2 CCC(=S)[C@H](N)C(=O)O Amb25111086 [0,1,0,0,0,0|1,0,1]=3 1285 B8R0.2 CCC(Br)C(=O)C(=O)O Amb27232743 [0,1,0,0,0,0|1,0,1]=3 1286 B8R0.2 CCC(C)C(=O)C(=O)Cl Amb28285750 [0,1,0,0,0,0|1,0,1]=3 1287 B8R0.2 CCC(C)C(=O)C(=O)O Amb2695339 [0,1,0,0,0,0|0,0,1]=2 1288 B8R0.2 CCC(C)C(=O)C(C)O Amb27774877 [0,1,0,0,0,0|1,0,2]=4 1289 B8R0.2 CCC(C)C(Br)C(=O)O Amb4015586 [0,1,0,0,0,0|0,0,0]=1 1290 B8R0.2 CCC(C)C(Br)C(N)=O Amb27472685 [0,1,0,0,0,0|1,0,0]=2 1291 B8R0.2 CCC(C)C(C)B(O)O Amb25889778 [0,1,0,0,0,0|1,0,1]=3 1292 B8R0.2 CCC(C)C(C)C(=N)N Amb28142986 [0,1,0,0,0,0|2,0,0]=3 1293 B8R0.2 CCC(C)C(C)C(=O)O Amb18290719 [0,1,0,0,0,0|0,0,0]=1 1294 B8R0.2 CCC(C)C(C)C(C)=O Amb4035878 [0,1,0,0,0,0|1,0,0]=2 1295 B8R0.2 CCC(C)C(C)C(C)C Amb22733173 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.2 CCC(C)C(C)C(C)O Amb4020071 [0,1,0,0,0,0|1,0,1]=3 1297 B8R0.2 CCC(C)C(Cl)C(=O)O Amb17593752 [0,1,0,0,0,0|0,0,0]=1 1298 B8R0.2 CCC(C)C(Cl)C(C)C Amb27245079 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.2 CCC(C)C(Cl)C(N)=O Amb27771780 [0,1,0,0,0,0|1,0,0]=2 1300 B8R0.2 CCC(C)C(N)C(=O)O Amb9702778 [0,1,0,0,0,0|0,0,0]=1 1301 B8R0.2 CCC(C)C(N)C(C)C Amb18203208 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.2 CCC(C)C(N)C(C)O Amb18832525 [0,1,0,0,0,0|1,0,1]=3 1303 B8R0.2 CCC(C)C(N)C(F)F Amb27838453 [0,1,0,0,0,0|2,0,1]=4 1304 B8R0.2 CCC(C)C(N)C(N)=O Amb1105283 [0,1,0,0,0,0|1,0,0]=2 1305 B8R0.2 CCC(C)C(N)C(N)=O Amb1152621 [0,1,0,0,0,0|1,0,0]=2 1306 B8R0.2 CCC(C)C(N)C(N)=O Amb33551930 [0,1,0,0,0,0|1,0,0]=2 1307 B8R0.2 CCC(C)C(N)C(N)=S Amb19374909 [0,1,0,0,0,0|1,1,0]=3 1308 B8R0.2 CCC(C)C(O)C(=O)O Amb18288809 [0,1,0,0,0,0|0,0,0]=1 1309 B8R0.2 CCC(C)C(O)C(C)C Amb4035693 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.2 CCC(C)C(O)C(C)N Amb27759067 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.2 CCC(C)C(O)C(F)F Amb27838450 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.2 CCC(C)C(O)C(N)=O Amb24112761 [0,1,0,0,0,0|1,0,0]=2 1313 B8R0.2 CCC(C)C(O)[C@@H](C)N Amb29849498 [0,1,0,0,0,0|2,0,1]=4 1314 B8R0.2 CCC(C)C(O)[C@H](C)N Amb35737907 [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.2 CCC(C)C(S)C(=O)O Amb27667077 [0,1,0,0,0,0|0,0,0]=1 1316 B8R0.2 CCC(C)N(C)C(C)=N Amb28127673 [0,1,0,0,0,0|3,0,0]=4 1317 B8R0.2 CCC(C)[C@@H](C)C(=O)O Amb10844494 [0,1,0,0,0,0|0,0,0]=1 1318 B8R0.2 CCC(C)[C@@H](N)C(=O)O Amb10844500 [0,1,0,0,0,0|0,0,0]=1 1319 B8R0.2 CCC(C)[C@H](Br)C(=O)Cl Amb27166137 [0,1,0,0,0,0|1,0,0]=2 1320 B8R0.2 CCC(C)[C@H](Br)C(=O)O Amb28183049 [0,1,0,0,0,0|0,0,0]=1 1321 B8R0.2 CCC(C)[C@H](C)C(=O)O Amb10844495 [0,1,0,0,0,0|0,0,0]=1 1322 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Amb28314442 [0,1,0,0,0,0|0,0,0]=1 1323 B8R0.2 CCC(C)[C@H](N)C(=O)O Amb10844501 [0,1,0,0,0,0|0,0,0]=1 1324 B8R0.2 CCC(C)[C@H](N)C(C)=O Amb35617474 [0,1,0,0,0,0|1,0,0]=2 1325 B8R0.2 CCC(C)[C@H](N)C(C)O Amb35588414 [0,1,0,0,0,0|1,0,1]=3 1326 B8R0.2 CCC(Cl)C(C)C(C)=O Amb27983787 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.2 CCC(F)C(=O)C(=O)O Amb27489910 [0,1,0,0,0,0|1,0,1]=3 1328 B8R0.2 CCC(F)C(Br)C(=O)O Amb27858717 [0,1,0,0,0,0|1,0,0]=2 1329 B8R0.2 CCC(N)C(F)C(=O)O Amb33036406 [0,1,0,0,0,0|1,0,0]=2 1330 B8R0.2 CCC(N)C(O)C(N)=O Amb28055940 [0,1,0,0,0,0|2,0,0]=3 1331 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [0,1,0,0,0,0|1,0,0]=2 1332 B8R0.2 CCC(O)C(C)C(C)=O Amb26336386 [0,1,0,0,0,0|2,0,0]=3 1333 B8R0.2 CCC(O)C(C)[N+](=O)[O-] Amb17618435 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [0,1,0,0,0,0|1,0,0]=2 1335 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [0,1,0,0,0,0|1,0,0]=2 1336 B8R0.2 CCC(O)C(O)C(C)O Amb27456333 [0,1,0,0,0,0|2,0,1]=4 1337 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [0,1,0,0,0,0|1,0,0]=2 1338 B8R0.2 CCN(C)C(=O)C(=O)O Amb9304051 [0,1,0,0,0,0|1,0,1]=3 1339 B8R0.2 CCN(C)C(=O)C(C)=O Amb27857476 [0,1,0,0,0,0|2,0,1]=4 1340 B8R0.2 CCN(C)C(C)C(=N)N Amb28049077 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.2 CCN(C)C(C)C(=O)O Amb8890967 [0,1,0,0,0,0|1,0,0]=2 1342 B8R0.2 CCN(C)[C@@H](C)C(=O)O Amb27228167 [0,1,0,0,0,0|1,0,0]=2 1343 B8R0.2 CCN(C)[C@H](C)C(N)=O Amb28062132 [0,1,0,0,0,0|2,0,0]=3 1344 B8R0.2 CCN(N)C(C)C(=O)O Amb27655613 [0,1,0,0,0,0|2,0,0]=3 1345 B8R0.2 CC[C@@H](C)C(Cl)C(=O)O Amb27472040 [0,1,0,0,0,0|0,0,0]=1 1346 B8R0.2 CC[C@@H](C)[C@@H](Br)C(=O)Cl Amb27194351 [0,1,0,0,0,0|1,0,0]=2 1347 B8R0.2 CC[C@@H](C)[C@@H](C)C(C)=O Amb27949165 [0,1,0,0,0,0|1,0,0]=2 1348 B8R0.2 CC[C@@H](C)[C@@H](C)C(N)=O Amb28049888 [0,1,0,0,0,0|1,0,0]=2 1349 B8R0.2 CC[C@@H](C)[C@@H](Cl)C(=O)O Amb28130604 [0,1,0,0,0,0|0,0,0]=1 1350 B8R0.2 CC[C@@H](C)[C@@H](F)C(=O)O Amb28347222 [0,1,0,0,0,0|0,0,0]=1 1351 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Amb8513329 [0,1,0,0,0,0|0,0,0]=1 1352 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O Amb26063750 [0,1,0,0,0,0|0,0,0]=1 1353 B8R0.2 CC[C@@H](C)[C@@H](O)C(C)C Amb27780253 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O Amb26866576 [0,1,0,0,0,0|0,0,0]=1 1355 B8R0.2 CC[C@@H](C)[C@H](C)C(C)=O Amb25024740 [0,1,0,0,0,0|1,0,0]=2 1356 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Amb10068321 [0,1,0,0,0,0|0,0,0]=1 1357 B8R0.2 CC[C@@H](C)[C@H](O)[C@@H](C)O Amb24389196 [0,1,0,0,0,0|1,0,1]=3 1358 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [0,1,0,0,0,0|1,0,0]=2 1359 B8R0.2 CC[C@@H](O)[C@@H](C)C(C)=O Amb26600956 [0,1,0,0,0,0|2,0,0]=3 1360 B8R0.2 CC[C@@H](O)[C@H](C)[C@H](C)O Amb27946609 [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.2 CC[C@@H](O)[C@H](O)C(C)=O Amb27861441 [0,1,0,0,0,0|2,0,0]=3 1362 B8R0.2 CC[C@@H](O)[C@H](O)C(C)O Amb28049151 [0,1,0,0,0,0|2,0,1]=4 1363 B8R0.2 CC[C@H](Br)[C@H](Br)C(=O)O Amb16233350 [0,1,0,0,0,0|1,0,0]=2 1364 B8R0.2 CC[C@H](C)C(=O)C(=O)O Amb28075584 [0,1,0,0,0,0|0,0,1]=2 1365 B8R0.2 CC[C@H](C)C(C)C(=O)O Amb27950556 [0,1,0,0,0,0|0,0,0]=1 1366 B8R0.2 CC[C@H](C)C(C)C(N)=O Amb28049537 [0,1,0,0,0,0|1,0,0]=2 1367 B8R0.2 CC[C@H](C)C(N)C(=O)O Amb27209489 [0,1,0,0,0,0|0,0,0]=1 1368 B8R0.2 CC[C@H](C)[C@@H](Br)C(=O)O Amb23401386 [0,1,0,0,0,0|0,0,0]=1 1369 B8R0.2 CC[C@H](C)[C@@H](C)C(C)=O Amb27250604 [0,1,0,0,0,0|1,0,0]=2 1370 B8R0.2 CC[C@H](C)[C@@H](F)C(=O)O Amb27954743 [0,1,0,0,0,0|0,0,0]=1 1371 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Amb8516280 [0,1,0,0,0,0|0,0,0]=1 1372 B8R0.2 CC[C@H](C)[C@H](Br)C(N)=O Amb27235575 [0,1,0,0,0,0|1,0,0]=2 1373 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)Cl Amb27768651 [0,1,0,0,0,0|1,0,0]=2 1374 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O Amb22388560 [0,1,0,0,0,0|0,0,0]=1 1375 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Amb3940753 [0,1,0,0,0,0|0,0,0]=1 1376 B8R0.2 CC[C@H](C)[C@H](N)C(C)O Amb35737490 [0,1,0,0,0,0|1,0,1]=3 1377 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O Amb10878815 [0,1,0,0,0,0|1,0,0]=2 1378 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O Amb9813724 [0,1,0,0,0,0|1,0,0]=2 1379 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O Amb2694797 [0,1,0,0,0,0|0,0,0]=1 1380 B8R0.2 CC[C@H](C)[C@H](O)[C@@H](C)O Amb27588936 [0,1,0,0,0,0|1,0,1]=3 1381 B8R0.2 CC[C@H](N)[C@H](C)C(=O)O Amb27779460 [0,1,0,0,0,0|1,0,0]=2 1382 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [0,1,0,0,0,0|1,0,0]=2 1383 B8R0.2 CC[C@H](O)[C@@H](O)[C@@H](C)O Amb28454611 [0,1,0,0,0,0|2,0,1]=4 1384 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [0,1,0,0,0,0|1,0,0]=2 1385 B8R0.2 CC[C@H](O)[C@H](C)C(C)=O Amb27590145 [0,1,0,0,0,0|2,0,0]=3 1386 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [0,1,0,0,0,0|1,0,0]=2 1387 B8R0.2 CC[C@H](O)[C@H](O)[C@@H](C)O Amb28321543 [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.2 CC\C(C)=C(/C)C(=O)O Amb27424733 [0,1,0,0,0,0|0,0,2]=3 1389 B8R0.2 CC\C(C)=C(/C)C(C)=O Amb28421971 [0,1,0,0,0,0|1,0,2]=4 1390 B8R0.2 CC\C(C)=C(/C)C(N)=O Amb27791930 [0,1,0,0,0,0|1,0,2]=4 1391 B8R0.2 CC\C(O)=C(\C)C(=O)O Amb27253362 [0,1,0,0,0,0|1,0,2]=4 1392 B8R0.2 CNC(=O)C(C)C(=O)O Amb26367215 [0,1,0,0,0,0|2,0,1]=4 1393 B8R0.2 CNC(C)C(C)C(C)=O Amb27202218 [0,1,0,0,0,0|2,0,0]=3 1394 B8R0.2 CNC(C)C(C)C(C)O Amb27962541 [0,1,0,0,0,0|2,0,1]=4 1395 B8R0.2 CNC(C)C(C)S(C)=O Amb27477501 [0,1,0,0,0,0|3,0,0]=4 1396 B8R0.2 CNC(C)C(N)C(=O)O Amb18642890 [0,1,0,0,0,0|1,0,0]=2 1397 B8R0.2 CNC(C)C(O)C(N)=O Amb28366769 [0,1,0,0,0,0|2,0,0]=3 1398 B8R0.2 COC(=O)C(C)C(=O)O Amb33545071 [0,1,0,0,0,0|2,0,1]=4 1399 B8R0.2 COC(=O)C(N)C(=O)O Amb27487566 [0,1,0,0,0,0|2,0,1]=4 1400 B8R0.2 COC(C)C(Br)C(=O)Cl Amb27215381 [0,1,0,0,0,0|2,0,0]=3 1401 B8R0.2 COC(C)C(Br)C(=O)O Amb16233352 [0,1,0,0,0,0|1,0,0]=2 1402 B8R0.2 COC(C)C(Br)C(C)=O Amb27477738 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.2 COC(C)C(C)C(=O)O Amb10844268 [0,1,0,0,0,0|1,0,0]=2 1404 B8R0.2 COC(C)C(Cl)C(N)=O Amb27614474 [0,1,0,0,0,0|2,0,0]=3 1405 B8R0.2 COC(C)C(N)C(=O)O Amb17938689 [0,1,0,0,0,0|1,0,0]=2 1406 B8R0.2 COC(C)C(N)C(N)=O Amb27195568 [0,1,0,0,0,0|2,0,0]=3 1407 B8R0.2 COC(C)C(O)C(=O)O Amb27816478 [0,1,0,0,0,0|1,0,0]=2 1408 B8R0.2 COC(C)[C@@H](C)C(=O)O Amb33729616 [0,1,0,0,0,0|1,0,0]=2 1409 B8R0.2 COC(C)[C@@H](N)C(=O)O Amb25733335 [0,1,0,0,0,0|1,0,0]=2 1410 B8R0.2 COC(C)[C@H](C)C(=O)O Amb25722336 [0,1,0,0,0,0|1,0,0]=2 1411 B8R0.2 COC(C)[C@H](N)C(=O)O Amb25881538 [0,1,0,0,0,0|1,0,0]=2 1412 B8R0.2 COC(Cl)C(Cl)C(C)=O Amb27231978 [0,1,0,0,0,0|3,0,0]=4 1413 B8R0.2 CON(C)C(=O)C(=O)O Amb28200907 [0,1,0,0,0,0|2,0,1]=4 1414 B8R0.2 CON(C)C(C)C(=O)O Amb27665034 [0,1,0,0,0,0|2,0,0]=3 1415 B8R0.2 CON(C)C(C)C(N)=O Amb27837566 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O Amb26036938 [0,1,0,0,0,0|1,0,0]=2 1417 B8R0.2 CO[C@@H](C)[C@H](Br)C(N)=O Amb27863450 [0,1,0,0,0,0|2,0,0]=3 1418 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O Amb8390422 [0,1,0,0,0,0|1,0,0]=2 1419 B8R0.2 CO[C@H](C)[C@@H](Br)C(=O)O Amb27392325 [0,1,0,0,0,0|1,0,0]=2 1420 B8R0.2 CO[C@H](C)[C@@H](Cl)C(=O)O Amb27424722 [0,1,0,0,0,0|1,0,0]=2 1421 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O Amb16183892 [0,1,0,0,0,0|1,0,0]=2 1422 B8R0.2 CO[C@H](C)[C@H](N)C(N)=O Amb32723110 [0,1,0,0,0,0|2,0,0]=3 1423 B8R0.2 CO[C@H](C)[C@H](O)C(=O)O Amb25316180 [0,1,0,0,0,0|1,0,0]=2 1424 B8R0.2 CO[C@H](Cl)[C@H](Cl)C(C)=O Amb27407718 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.2 CSC(C)C(Cl)C(=O)Cl Amb28352236 [0,1,0,0,0,0|2,0,0]=3 1426 B8R0.2 CSC(C)C(N)C(N)=O Amb30035540 [0,1,0,0,0,0|2,0,0]=3 1427 B8R0.2 CS[C@H](C)[C@H](N)C(=O)O Amb27771288 [0,1,0,0,0,0|1,0,0]=2 1428 B8R0.2 C[C@@H](C(=O)O)N(C)C#N Amb35634499 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.2 C[C@@H](C(=O)O)N(C)N=O Amb27642233 [0,1,0,0,0,0|3,0,0]=4 1430 B8R0.2 C[C@@H](CN)N(C)C(N)=O Amb27974325 [0,1,0,0,0,0|3,0,0]=4 1431 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [0,1,0,0,0,0|1,0,0]=2 1432 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [0,1,0,0,0,0|1,0,0]=2 1433 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [0,1,0,0,0,0|1,0,0]=2 1434 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [0,1,0,0,0,0|2,0,0]=3 1435 B8R0.2 C[C@H](CN)[C@@H](O)C(=O)O Amb27455474 [0,1,0,0,0,0|1,0,0]=2 1436 B8R0.2 C\C=C(/C)C(C)C(=O)O Amb27810548 [0,1,0,0,0,0|0,0,2]=3 1437 B8R0.2 C\C=C(/C)C(N)C(=O)O Amb18642706 [0,1,0,0,0,0|0,0,2]=3 1438 B8R0.2 C\C=C(\Br)C(O)C(=O)O Amb27657537 [0,1,0,0,0,0|1,0,2]=4 1439 B8R0.2 C\C=C(\C)C(C)C(=O)O Amb27626047 [0,1,0,0,0,0|0,0,2]=3 1440 B8R0.2 C\C=C(\C)C(N)C(=O)O Amb27634383 [0,1,0,0,0,0|0,0,2]=3 1441 B8R0.2 C\C=C(\C)[C@H](N)C(=O)O Amb28424373 [0,1,0,0,0,0|0,0,2]=3 1442 B8R0.2 NC(=O)[C@@H](F)[C@@H](O)CO Amb27668286 [0,1,0,0,0,0|3,0,0]=4 1443 B8R0.2 NC(=O)[C@H](O)[C@@H](O)CO Amb27814631 [0,1,0,0,0,0|3,0,0]=4 1444 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [0,1,0,0,0,0|2,0,0]=3 1445 B8R0.2 NC(C(=O)O)C(O)CCl Amb27846402 [0,1,0,0,0,0|2,0,0]=3 1446 B8R0.2 NC(C(=O)O)C(O)CF Amb27592597 [0,1,0,0,0,0|2,0,0]=3 1447 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.2 NCC(O)C(N)C(=O)O Amb27876292 [0,1,0,0,0,0|2,0,0]=3 1450 B8R0.2 NCC(O)C(O)C(=O)O Amb27830532 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb27945588 [0,1,0,0,0,0|2,0,0]=3 1452 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb33209939 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.2 NC[C@@H](O)[C@H](N)C(=O)O Amb30884414 [0,1,0,0,0,0|2,0,0]=3 1454 B8R0.2 NC[C@H](F)[C@H](F)C(=O)O Amb27224824 [0,1,0,0,0,0|2,0,0]=3 1455 B8R0.2 N[C@@H](C(=O)O)C(O)CBr Amb28245344 [0,1,0,0,0,0|2,0,0]=3 1456 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [0,1,0,0,0,0|2,0,0]=3 1457 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [0,1,0,0,0,0|2,0,0]=3 1458 B8R0.2 N[C@H](C(=O)O)C(O)CCl Amb27212707 [0,1,0,0,0,0|2,0,0]=3 1459 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [0,1,0,0,0,0|2,0,0]=3 1460 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [0,1,0,0,0,0|2,0,0]=3 1461 B8R0.2 O=C(O)C(=O)C(O)CO Amb27408895 [0,1,0,0,0,0|2,0,1]=4 1462 B8R0.2 O=C(O)C(Br)C(Br)CBr Amb22347644 [0,1,0,0,0,0|2,0,0]=3 1463 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [0,1,0,0,0,0|2,0,0]=3 1464 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [0,1,0,0,0,0|2,0,0]=3 1465 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [0,1,0,0,0,0|2,0,0]=3 1466 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [0,1,0,0,0,0|2,0,0]=3 1467 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [0,1,0,0,0,0|2,0,0]=3 1468 B8R0.2 O=C([O-])C(O)C(O)CO Amb22733096 [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO Amb22744783 [0,1,0,0,0,0|2,0,1]=4 1470 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO Amb32414707 [0,1,0,0,0,0|2,0,1]=4 1471 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [0,1,0,0,0,0|2,0,1]=4 1472 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [0,1,0,0,0,0|2,0,1]=4 1473 B8R0.5 C#CCC(C)CC(C)=O Amb24707587 [0,1,0,0,0,0|1,0,1]=3 1474 B8R0.5 C#CCC(C)CC(C)O Amb27458888 [0,1,0,0,0,0|1,0,2]=4 1475 B8R0.5 C#CCC(C)NC(N)=O Amb28384038 [0,1,0,0,0,0|2,0,1]=4 1476 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [0,1,0,0,0,0|1,0,1]=3 1477 B8R0.5 C#CCN(C)CC(N)=O Amb28351873 [0,1,0,0,0,0|2,0,1]=4 1478 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [0,1,0,0,0,0|1,0,1]=3 1479 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [0,1,0,0,0,0|1,0,1]=3 1480 B8R0.5 C#C\C=C(/C)CC(=O)O Amb28410538 [0,1,0,0,0,0|0,0,3]=4 1481 B8R0.5 C=C(Br)CC(C)CC=O Amb27476249 [0,1,0,0,0,0|2,0,1]=4 1482 B8R0.5 C=C(Br)CC(O)CCC Amb27194656 [0,1,0,0,0,0|3,0,0]=4 1483 B8R0.5 C=C(Br)CN(C)CCC Amb27877357 [0,1,0,0,0,0|3,0,0]=4 1484 B8R0.5 C=C(Br)CN(C)CCN Amb19028446 [0,1,0,0,0,0|3,0,0]=4 1485 B8R0.5 C=C(Br)CN(C)CCO Amb19079908 [0,1,0,0,0,0|3,0,0]=4 1486 B8R0.5 C=C(Br)C[C@@H](C)CC=O Amb27270886 [0,1,0,0,0,0|2,0,1]=4 1487 B8R0.5 C=C(C)CC(C)CCC Amb22730409 [0,1,0,0,0,0|2,0,0]=3 1488 B8R0.5 C=C(C)CC(C)CCN Amb27210688 [0,1,0,0,0,0|2,0,0]=3 1489 B8R0.5 C=C(C)CC(C)NCC Amb27648467 [0,1,0,0,0,0|2,0,0]=3 1490 B8R0.5 C=C(C)CC(Cl)CCC Amb27842029 [0,1,0,0,0,0|3,0,0]=4 1491 B8R0.5 C=C(C)CC(N)COC Amb27171032 [0,1,0,0,0,0|3,0,0]=4 1492 B8R0.5 C=C(C)CC(N)CSC Amb27794207 [0,1,0,0,0,0|3,0,0]=4 1493 B8R0.5 C=C(C)CC(O)CCC Amb28058869 [0,1,0,0,0,0|3,0,0]=4 1494 B8R0.5 C=C(C)CC(O)CCO Amb28049190 [0,1,0,0,0,0|3,0,0]=4 1495 B8R0.5 C=C(C)CC(O)CSC Amb28313018 [0,1,0,0,0,0|3,0,0]=4 1496 B8R0.5 C=C(C)C[C@@H](O)CCC Amb27217651 [0,1,0,0,0,0|3,0,0]=4 1497 B8R0.5 C=C=CC(C)CC(=O)O Amb27631675 [0,1,0,0,0,0|0,0,2]=3 1498 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [0,1,0,0,0,0|0,0,1]=2 1499 B8R0.5 C=CCC(C)CC(C)=O Amb17593320 [0,1,0,0,0,0|1,0,1]=3 1500 B8R0.5 C=CCC(C)NC(C)=O Amb28118292 [0,1,0,0,0,0|2,0,1]=4 1501 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [0,1,0,0,0,0|1,0,1]=3 1502 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [0,1,0,0,0,0|1,0,1]=3 1503 B8R0.5 C=CCC(O)CC(=O)O Amb18642785 [0,1,0,0,0,0|1,0,1]=3 1504 B8R0.5 C=CCN(C)CC(=O)O Amb9301047 [0,1,0,0,0,0|1,0,1]=3 1505 B8R0.5 C=CCN(C)CC(N)=O Amb28289057 [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.5 C=CC[C@@H](C)CC(C)=O Amb27974516 [0,1,0,0,0,0|1,0,1]=3 1507 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [0,1,0,0,0,0|1,0,1]=3 1508 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [0,1,0,0,0,0|1,0,1]=3 1509 B8R0.5 C=CC[C@@H](O)CC(=O)O Amb28073530 [0,1,0,0,0,0|1,0,1]=3 1510 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [0,1,0,0,0,0|1,0,1]=3 1511 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [0,1,0,0,0,0|1,0,1]=3 1512 B8R0.5 C=CC[C@H](O)CC(=O)O Amb28345940 [0,1,0,0,0,0|1,0,1]=3 1513 B8R0.5 C=COC(C)CC(C)=O Amb27780768 [0,1,0,0,0,0|1,0,2]=4 1514 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [0,1,0,0,0,0|1,0,1]=3 1515 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [0,1,0,0,0,0|2,0,1]=4 1516 B8R0.5 CC(=O)CC(O)CCBr Amb28290412 [0,1,0,0,0,0|2,0,0]=3 1517 B8R0.5 CC(=O)CN(C)CCO Amb10608107 [0,1,0,0,0,0|2,0,0]=3 1518 B8R0.5 CC(=O)C[C@@H](O)CCBr Amb27400290 [0,1,0,0,0,0|2,0,0]=3 1519 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [0,1,0,0,0,0|1,0,1]=3 1520 B8R0.5 CC(=O)NC(C)CCO Amb27656183 [0,1,0,0,0,0|2,0,0]=3 1521 B8R0.5 CC(=O)NC(C)CON Amb17138376 [0,1,0,0,0,0|3,0,0]=4 1522 B8R0.5 CC(=O)N[C@H](C)CCO Amb28454929 [0,1,0,0,0,0|2,0,0]=3 1523 B8R0.5 CC(=O)OC(C)CC=O Amb18642743 [0,1,0,0,0,0|2,0,1]=4 1524 B8R0.5 CC(=O)OC(C)CCCl Amb27801962 [0,1,0,0,0,0|2,0,0]=3 1525 B8R0.5 CC(=O)SC(C)CC=O Amb27797287 [0,1,0,0,0,0|2,0,1]=4 1526 B8R0.5 CC(C)CC(C)CCBr Amb26456422 [0,1,0,0,0,0|2,0,1]=4 1527 B8R0.5 CC(C)CC(C)CCCl Amb26988421 [0,1,0,0,0,0|2,0,1]=4 1528 B8R0.5 CC(C)CC(C)CCN Amb25848784 [0,1,0,0,0,0|2,0,1]=4 1529 B8R0.5 CC(C)CC(C)CCO Amb26460233 [0,1,0,0,0,0|2,0,1]=4 1530 B8R0.5 CC(C)C[C@@H](C)CCBr Amb27856715 [0,1,0,0,0,0|2,0,1]=4 1531 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [0,1,0,0,0,0|0,0,1]=2 1532 B8R0.5 CC(CC(=O)Cl)N=C=O Amb28397291 [0,1,0,0,0,0|2,0,1]=4 1533 B8R0.5 CC(CC(=O)O)N=C=O Amb33471303 [0,1,0,0,0,0|1,0,1]=3 1534 B8R0.5 CC(CC(=O)O)N=C=S Amb33471532 [0,1,0,0,0,0|1,0,1]=3 1535 B8R0.5 CC(CC(=O)O)NC#N Amb35634497 [0,1,0,0,0,0|1,0,1]=3 1536 B8R0.5 CC(CC(=O)O)NC=O Amb18967805 [0,1,0,0,0,0|1,0,1]=3 1537 B8R0.5 CC(CC=O)CN(=O)=O Amb8391644 [0,1,0,0,0,0|1,0,2]=4 1538 B8R0.5 CC(CC=O)NC(N)=O Amb27881145 [0,1,0,0,0,0|2,0,1]=4 1539 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [0,1,0,0,0,0|0,0,0]=1 1540 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [0,1,0,0,0,0|0,0,0]=1 1541 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [0,1,0,0,0,0|0,0,0]=1 1542 B8R0.5 CC(CCN)CN(C)C Amb17334120 [0,1,0,0,0,0|3,0,0]=4 1543 B8R0.5 CC(CCN)C[PH](=O)O Amb28250150 [0,1,0,0,0,0|1,0,0]=2 1544 B8R0.5 CC(CCN)NS(C)=O Amb27185835 [0,1,0,0,0,0|3,0,0]=4 1545 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [0,1,0,0,0,0|0,0,0]=1 1546 B8R0.5 CC(CCS)NC(=N)N Amb28054440 [0,1,0,0,0,0|3,0,0]=4 1547 B8R0.5 CC(O)CC(C)CCO Amb27970261 [0,1,0,0,0,0|1,0,1]=3 1548 B8R0.5 CC(O)CC(O)CCBr Amb27841515 [0,1,0,0,0,0|2,0,1]=4 1549 B8R0.5 CC(O)CN(C)CCCl Amb18180172 [0,1,0,0,0,0|2,0,1]=4 1550 B8R0.5 CC(O)CN(C)CCN Amb19020546 [0,1,0,0,0,0|2,0,1]=4 1551 B8R0.5 CCCC(=O)CC(C)=O Amb9775079 [0,1,0,0,0,0|2,0,1]=4 1552 B8R0.5 CCCC(=O)CC(N)=O Amb28290969 [0,1,0,0,0,0|2,0,1]=4 1553 B8R0.5 CCCC(Br)CC(C)=O Amb27974270 [0,1,0,0,0,0|2,0,0]=3 1554 B8R0.5 CCCC(C)CC(=N)N Amb25771598 [0,1,0,0,0,0|2,0,0]=3 1555 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [0,1,0,0,0,0|0,0,0]=1 1556 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [0,1,0,0,0,0|1,0,0]=2 1557 B8R0.5 CCCC(C)CC(C)Br Amb27779289 [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.5 CCCC(C)CC(C)C Amb22228271 [0,1,0,0,0,0|2,0,1]=4 1559 B8R0.5 CCCC(C)CC(C)O Amb22229840 [0,1,0,0,0,0|1,0,1]=3 1560 B8R0.5 CCCC(C)CC(Cl)Cl Amb26949701 [0,1,0,0,0,0|2,0,1]=4 1561 B8R0.5 CCCC(C)CC(N)=O Amb25146057 [0,1,0,0,0,0|1,0,0]=2 1562 B8R0.5 CCCC(C)CC(N)=S Amb26066806 [0,1,0,0,0,0|1,1,0]=3 1563 B8R0.5 CCCC(C)CN(C)O Amb33322352 [0,1,0,0,0,0|2,0,0]=3 1564 B8R0.5 CCCC(C)CS(=O)[O-] Amb32755301 [0,1,0,0,0,0|1,0,1]=3 1565 B8R0.5 CCCC(C)C[C@@H](C)N Amb33321142 [0,1,0,0,0,0|2,0,1]=4 1566 B8R0.5 CCCC(C)C[C@@H](C)O Amb33321139 [0,1,0,0,0,0|1,0,1]=3 1567 B8R0.5 CCCC(C)C[C@H](C)N Amb33321141 [0,1,0,0,0,0|2,0,1]=4 1568 B8R0.5 CCCC(C)C[C@H](C)O Amb33321088 [0,1,0,0,0,0|1,0,1]=3 1569 B8R0.5 CCCC(C)C[N+](=O)[O-] Amb33321122 [0,1,0,0,0,0|1,0,1]=3 1570 B8R0.5 CCCC(C)NC(=O)Cl Amb35637095 [0,1,0,0,0,0|2,0,0]=3 1571 B8R0.5 CCCC(C)NC(N)=S Amb9212106 [0,1,0,0,0,0|2,1,0]=4 1572 B8R0.5 CCCC(C)OC(=O)Cl Amb27205395 [0,1,0,0,0,0|2,0,0]=3 1573 B8R0.5 CCCC(C)OC(C)=O Amb22732559 [0,1,0,0,0,0|2,0,0]=3 1574 B8R0.5 CCCC(C)OC(N)=O Amb27150798 [0,1,0,0,0,0|2,0,0]=3 1575 B8R0.5 CCCC(Cl)OC(C)=O Amb27490997 [0,1,0,0,0,0|3,0,0]=4 1576 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [0,1,0,0,0,0|1,0,0]=2 1577 B8R0.5 CCCC(N)CC(C)=O Amb28069229 [0,1,0,0,0,0|2,0,0]=3 1578 B8R0.5 CCCC(N)CC(N)=O Amb25128031 [0,1,0,0,0,0|2,0,0]=3 1579 B8R0.5 CCCC(N)CS(C)=O Amb27475787 [0,1,0,0,0,0|3,0,0]=4 1580 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [0,1,0,0,0,0|1,0,0]=2 1581 B8R0.5 CCCC(O)CC(C)=O Amb17593376 [0,1,0,0,0,0|2,0,0]=3 1582 B8R0.5 CCCC(O)CC(C)O Amb27484551 [0,1,0,0,0,0|2,0,1]=4 1583 B8R0.5 CCCC(O)SC(C)=O Amb27807055 [0,1,0,0,0,0|3,0,0]=4 1584 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [0,1,0,0,0,0|1,0,0]=2 1585 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [0,1,0,0,0,0|1,0,0]=2 1586 B8R0.5 CCCN(C)CC(C)O Amb17334132 [0,1,0,0,0,0|2,0,1]=4 1587 B8R0.5 CCCN(O)CC(=O)O Amb27850231 [0,1,0,0,0,0|2,0,0]=3 1588 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,1,0,0,0,0|2,0,0]=3 1589 B8R0.5 CCCS(=O)CC(C)=O Amb27180126 [0,1,0,0,0,0|3,0,0]=4 1590 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [0,1,0,0,0,0|1,0,0]=2 1591 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [0,1,0,0,0,0|1,0,0]=2 1592 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [0,1,0,0,0,0|1,0,0]=2 1593 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [0,1,0,0,0,0|2,0,0]=3 1594 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [0,1,0,0,0,0|0,0,0]=1 1595 B8R0.5 CCC[C@H](C)NC(C)=O Amb27655527 [0,1,0,0,0,0|2,0,0]=3 1596 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [0,1,0,0,0,0|1,0,0]=2 1597 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [0,1,0,0,0,0|1,0,0]=2 1598 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [0,1,0,0,0,0|1,0,0]=2 1599 B8R0.5 CCC[C@H](O)C[C@H](C)O Amb27653094 [0,1,0,0,0,0|2,0,1]=4 1600 B8R0.5 CCC[C@H](S)C[C@H](C)O Amb28049110 [0,1,0,0,0,0|2,0,1]=4 1601 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [0,1,0,0,0,0|0,0,2]=3 1602 B8R0.5 CCC\C(C)=C\C(C)=O Amb28289440 [0,1,0,0,0,0|1,0,2]=4 1603 B8R0.5 CCC\C(C)=C\C(N)=O Amb27799064 [0,1,0,0,0,0|1,0,2]=4 1604 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [0,1,0,0,0,0|1,0,1]=3 1605 B8R0.5 CCNC(=O)CC(C)=O Amb6254356 [0,1,0,0,0,0|2,0,1]=4 1606 B8R0.5 CCNC(=O)CC(N)=O Amb28058296 [0,1,0,0,0,0|2,0,1]=4 1607 B8R0.5 CCNC(C)C=C(C)C Amb27225629 [0,1,0,0,0,0|2,0,1]=4 1608 B8R0.5 CCNC(C)CC(=O)O Amb13952759 [0,1,0,0,0,0|0,0,0]=1 1609 B8R0.5 CCNC(C)CC(=O)O Amb9398369 [0,1,0,0,0,0|0,0,0]=1 1610 B8R0.5 CCNC(C)CC(N)=O Amb17231866 [0,1,0,0,0,0|1,0,0]=2 1611 B8R0.5 CCNC(C)CN(C)C Amb9783249 [0,1,0,0,0,0|3,0,0]=4 1612 B8R0.5 CCN\C(C)=C\C(C)=O Amb27843358 [0,1,0,0,0,0|1,0,2]=4 1613 B8R0.5 CCOC(=N)CC(=O)O Amb26612803 [0,1,0,0,0,0|1,0,1]=3 1614 B8R0.5 CCOC(=N)CC(N)=O Amb26328004 [0,1,0,0,0,0|2,0,1]=4 1615 B8R0.5 CCOC(=O)CC(=O)Cl Amb3939375 [0,1,0,0,0,0|2,0,1]=4 1616 B8R0.5 CCOC(=O)CC(=O)O Amb22492654 [0,1,0,0,0,0|1,0,1]=3 1617 B8R0.5 CCOC(=O)CC(=O)O Amb3939916 [0,1,0,0,0,0|1,0,1]=3 1618 B8R0.5 CCOC(=O)CC(=O)[O-] Amb2221978 [0,1,0,0,0,0|1,0,2]=4 1619 B8R0.5 CCOC(=O)CC(C)=O Amb2793050 [0,1,0,0,0,0|2,0,1]=4 1620 B8R0.5 CCOC(=O)CC(N)=O Amb8390795 [0,1,0,0,0,0|2,0,1]=4 1621 B8R0.5 CCOC(=O)CS(=O)O Amb27452527 [0,1,0,0,0,0|2,0,1]=4 1622 B8R0.5 CCOC(C)CC(=N)N Amb33424963 [0,1,0,0,0,0|2,0,0]=3 1623 B8R0.5 CCOC(C)CC(=O)O Amb9397849 [0,1,0,0,0,0|0,0,0]=1 1624 B8R0.5 CCOC(C)CC(C)=O Amb25291783 [0,1,0,0,0,0|1,0,0]=2 1625 B8R0.5 CCOC(C)CC(C)Br Amb26064110 [0,1,0,0,0,0|2,0,1]=4 1626 B8R0.5 CCOC(C)CC(C)O Amb26629604 [0,1,0,0,0,0|1,0,1]=3 1627 B8R0.5 CCOC(C)CC(N)=S Amb33424942 [0,1,0,0,0,0|1,1,0]=3 1628 B8R0.5 CCOC(C)CN(C)O Amb33425716 [0,1,0,0,0,0|2,0,0]=3 1629 B8R0.5 CCOC(C)C[C@@H](C)N Amb33425065 [0,1,0,0,0,0|2,0,1]=4 1630 B8R0.5 CCOC(C)C[C@@H](C)O Amb33425062 [0,1,0,0,0,0|1,0,1]=3 1631 B8R0.5 CCOC(C)C[C@H](C)N Amb33425064 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.5 CCOC(C)C[C@H](C)O Amb33225080 [0,1,0,0,0,0|1,0,1]=3 1633 B8R0.5 CCOC(C)C[N+](=O)[O-] Amb33425047 [0,1,0,0,0,0|1,0,1]=3 1634 B8R0.5 CCOC(C)OC(C)=O Amb17689197 [0,1,0,0,0,0|2,0,0]=3 1635 B8R0.5 CCOC(C)OC(C)O Amb27836029 [0,1,0,0,0,0|2,0,1]=4 1636 B8R0.5 CCOC(C)SC(=N)N Amb27779181 [0,1,0,0,0,0|3,0,0]=4 1637 B8R0.5 CCOC(Cl)CS(=O)Cl Amb27591703 [0,1,0,0,0,0|3,0,0]=4 1638 B8R0.5 CCOC(Cl)OC(C)=O Amb28145161 [0,1,0,0,0,0|3,0,0]=4 1639 B8R0.5 CCO[C@@H](C)CC(C)=O Amb27424691 [0,1,0,0,0,0|1,0,0]=2 1640 B8R0.5 CCO[C@@H](C)C[C@@H](C)O Amb27481375 [0,1,0,0,0,0|1,0,1]=3 1641 B8R0.5 CCO[C@@H](C)C[C@H](C)O Amb27424949 [0,1,0,0,0,0|1,0,1]=3 1642 B8R0.5 CCO[C@H](O)CC(C)=O Amb27838621 [0,1,0,0,0,0|2,0,0]=3 1643 B8R0.5 CCO\C(C)=C/C(C)=O Amb25147210 [0,1,0,0,0,0|1,0,2]=4 1644 B8R0.5 CCO\C(C)=C\C(C)=O Amb28134099 [0,1,0,0,0,0|1,0,2]=4 1645 B8R0.5 CCO\C(N)=C\C(=O)O Amb28285256 [0,1,0,0,0,0|1,0,2]=4 1646 B8R0.5 CCSC(=O)CC(=O)O Amb27406351 [0,1,0,0,0,0|1,0,1]=3 1647 B8R0.5 CCSC(=O)CC(C)=O Amb27234619 [0,1,0,0,0,0|2,0,1]=4 1648 B8R0.5 CCSC(=S)CC(C)=O Amb27838746 [0,1,0,0,0,0|2,0,1]=4 1649 B8R0.5 CCSC(C)CC(=O)O Amb9398136 [0,1,0,0,0,0|0,0,0]=1 1650 B8R0.5 CCSC(C)SC(=N)N Amb27788165 [0,1,0,0,0,0|3,0,0]=4 1651 B8R0.5 CC\C=C(/Br)CC(=O)O Amb28208655 [0,1,0,0,0,0|1,0,1]=3 1652 B8R0.5 CC\C=C(\C)CC(N)=O Amb27771837 [0,1,0,0,0,0|1,0,1]=3 1653 B8R0.5 CC\N=C(/C)CC(C)=O Amb28052216 [0,1,0,0,0,0|1,0,1]=3 1654 B8R0.5 CC\N=C(C)/C=C(/C)O Amb28076028 [0,1,0,0,0,0|1,0,2]=4 1655 B8R0.5 CC\N=C(C)/C=C(\C)O Amb28142992 [0,1,0,0,0,0|1,0,2]=4 1656 B8R0.5 CC\N=C(C)\C=C(\C)O Amb27967083 [0,1,0,0,0,0|1,0,2]=4 1657 B8R0.5 CN(CC#N)CC(=O)O Amb9301061 [0,1,0,0,0,0|1,0,1]=3 1658 B8R0.5 CN(CC#N)CC(N)=O Amb8953090 [0,1,0,0,0,0|2,0,1]=4 1659 B8R0.5 CN(CC=O)CC(N)=O Amb28041288 [0,1,0,0,0,0|2,0,1]=4 1660 B8R0.5 CN(CCF)CC(N)=O Amb27254943 [0,1,0,0,0,0|2,0,0]=3 1661 B8R0.5 CN(CCN)CC(=O)O Amb18313585 [0,1,0,0,0,0|1,0,0]=2 1662 B8R0.5 CN(CCN)CC(=O)O Amb32701580 [0,1,0,0,0,0|1,0,0]=2 1663 B8R0.5 CN(CCO)CC(=N)N Amb27407501 [0,1,0,0,0,0|3,0,0]=4 1664 B8R0.5 CN(CCO)CC(=O)O Amb5767486 [0,1,0,0,0,0|1,0,0]=2 1665 B8R0.5 CN(CCO)CC(N)=S Amb17120471 [0,1,0,0,0,0|2,1,0]=4 1666 B8R0.5 CNCC(C)CC(C)O Amb27786755 [0,1,0,0,0,0|1,0,1]=3 1667 B8R0.5 CNCC(C)OC(N)=O Amb28078033 [0,1,0,0,0,0|2,0,0]=3 1668 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [0,1,0,0,0,0|1,0,0]=2 1669 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [0,1,0,0,0,0|1,0,0]=2 1670 B8R0.5 CNCC(O)CS(C)=O Amb27477065 [0,1,0,0,0,0|3,0,0]=4 1671 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [0,1,0,0,0,0|1,0,0]=2 1672 B8R0.5 CN\N=C(/C)CC(C)=O Amb27850029 [0,1,0,0,0,0|2,0,1]=4 1673 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,1,0,0,0,0|1,0,1]=3 1674 B8R0.5 COCC(=O)CC(C)=O Amb15701314 [0,1,0,0,0,0|2,0,1]=4 1675 B8R0.5 COCC(C)CC(=O)O Amb19024342 [0,1,0,0,0,0|0,0,0]=1 1676 B8R0.5 COCC(C)CC(C)=O Amb27464321 [0,1,0,0,0,0|1,0,0]=2 1677 B8R0.5 COCC(C)CC(C)Br Amb27838446 [0,1,0,0,0,0|2,0,1]=4 1678 B8R0.5 COCC(C)CC(C)Cl Amb27225461 [0,1,0,0,0,0|2,0,1]=4 1679 B8R0.5 COCC(C)CC(C)N Amb27838441 [0,1,0,0,0,0|2,0,1]=4 1680 B8R0.5 COCC(C)CC(C)O Amb27796096 [0,1,0,0,0,0|1,0,1]=3 1681 B8R0.5 COCC(C)CC(N)=O Amb27860801 [0,1,0,0,0,0|1,0,0]=2 1682 B8R0.5 COCC(C)CS(=O)Cl Amb32720532 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.5 COCC(C)CS(=O)[O-] Amb32754752 [0,1,0,0,0,0|1,0,1]=3 1684 B8R0.5 COCC(C)CS(N)=O Amb32720533 [0,1,0,0,0,0|2,0,0]=3 1685 B8R0.5 COCC(C)NC(=O)Cl Amb35637106 [0,1,0,0,0,0|2,0,0]=3 1686 B8R0.5 COCC(C)NC(C)=N Amb28049795 [0,1,0,0,0,0|3,0,0]=4 1687 B8R0.5 COCC(C)NC(N)=O Amb405922 [0,1,0,0,0,0|2,0,0]=3 1688 B8R0.5 COCC(C)NC(N)=S Amb377436 [0,1,0,0,0,0|2,1,0]=4 1689 B8R0.5 COCC(C)OC(=O)Cl Amb27395128 [0,1,0,0,0,0|2,0,0]=3 1690 B8R0.5 COCC(C)OC(C)=O Amb8516695 [0,1,0,0,0,0|2,0,0]=3 1691 B8R0.5 COCC(C)OC(N)=O Amb24645730 [0,1,0,0,0,0|2,0,0]=3 1692 B8R0.5 COCC(N)CC(=O)O Amb26641146 [0,1,0,0,0,0|1,0,0]=2 1693 B8R0.5 COCC(N)CC(C)O Amb27433240 [0,1,0,0,0,0|2,0,1]=4 1694 B8R0.5 COCC(N)CC(N)=O Amb33308419 [0,1,0,0,0,0|2,0,0]=3 1695 B8R0.5 COCC(O)CC(=N)N Amb24665644 [0,1,0,0,0,0|3,0,0]=4 1696 B8R0.5 COCC(O)CC(=O)O Amb18832518 [0,1,0,0,0,0|1,0,0]=2 1697 B8R0.5 COCC(O)CC(N)=S Amb27657699 [0,1,0,0,0,0|2,1,0]=4 1698 B8R0.5 COC[C@@H](C)OC(C)=O Amb27460270 [0,1,0,0,0,0|2,0,0]=3 1699 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [0,1,0,0,0,0|1,0,0]=2 1700 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [0,1,0,0,0,0|1,0,0]=2 1701 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [0,1,0,0,0,0|1,0,0]=2 1702 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [0,1,0,0,0,0|1,0,0]=2 1703 B8R0.5 COC\C(C)=C\C(=O)O Amb25311787 [0,1,0,0,0,0|0,0,2]=3 1704 B8R0.5 COC\C(C)=C\C(C)=O Amb28323854 [0,1,0,0,0,0|1,0,2]=4 1705 B8R0.5 CONC(C)CC(=O)O Amb26844930 [0,1,0,0,0,0|1,0,0]=2 1706 B8R0.5 CO\C=C(\C)CC(=O)O Amb27410916 [0,1,0,0,0,0|0,0,2]=3 1707 B8R0.5 CO\N=C(/C)CC(C)=O Amb25179533 [0,1,0,0,0,0|2,0,1]=4 1708 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [0,1,0,0,0,0|1,0,0]=2 1709 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [0,1,0,0,0,0|0,0,0]=1 1710 B8R0.5 CSCC(C)CC(C)C Amb27180886 [0,1,0,0,0,0|2,0,1]=4 1711 B8R0.5 CSCC(C)NC(=O)Cl Amb35633391 [0,1,0,0,0,0|2,0,0]=3 1712 B8R0.5 CSCC(C)OC(C)=O Amb24450062 [0,1,0,0,0,0|2,0,0]=3 1713 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [0,1,0,0,0,0|1,0,0]=2 1714 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [0,1,0,0,0,0|1,0,0]=2 1715 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [0,1,0,0,0,0|1,0,0]=2 1716 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [0,1,0,0,0,0|1,0,0]=2 1717 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [0,1,0,0,0,0|1,0,0]=2 1718 B8R0.5 C[C@@H](CC(=O)O)N=[N+]=[N-] Amb27657105 [0,1,0,0,0,0|2,0,0]=3 1719 B8R0.5 C[C@@H](O)CN(C)CCN Amb27174180 [0,1,0,0,0,0|2,0,1]=4 1720 B8R0.5 C[C@@H](O)C[C@H](C)CCO Amb27766934 [0,1,0,0,0,0|1,0,1]=3 1721 B8R0.5 C[C@H](CC(=O)O)N=C=O Amb33471360 [0,1,0,0,0,0|1,0,1]=3 1722 B8R0.5 C[C@H](CC(=O)O)N=C=S Amb33471590 [0,1,0,0,0,0|1,0,1]=3 1723 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [0,1,0,0,0,0|0,0,0]=1 1724 B8R0.5 C[C@H](O)CN(C)CCO Amb27219522 [0,1,0,0,0,0|2,0,1]=4 1725 B8R0.5 C[C@H](O)C[C@@H](C)CCO Amb27598607 [0,1,0,0,0,0|1,0,1]=3 1726 B8R0.5 C[C@H](O)C[C@H](O)CCBr Amb27983593 [0,1,0,0,0,0|2,0,1]=4 1727 B8R0.5 C\C(=C\C(=O)O)CCS Amb28345950 [0,1,0,0,0,0|0,0,2]=3 1728 B8R0.5 C\C=C\C(C)=C\C(=O)O Amb28201686 [0,1,0,0,0,0|0,0,3]=4 1729 B8R0.5 C\C=C\C(C)NC(C)=O Amb27405355 [0,1,0,0,0,0|2,0,1]=4 1730 B8R0.5 C\C=C\C(Cl)CC(=O)Cl Amb27407059 [0,1,0,0,0,0|2,0,1]=4 1731 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [0,1,0,0,0,0|1,0,1]=3 1732 B8R0.5 C\C=C\C(N)CC(N)=O Amb24599388 [0,1,0,0,0,0|2,0,1]=4 1733 B8R0.5 C\C=C\C(O)CC(=O)O Amb8398291 [0,1,0,0,0,0|1,0,1]=3 1734 B8R0.5 C\C=C\[C@@H](C)CC(C)=O Amb27598952 [0,1,0,0,0,0|1,0,1]=3 1735 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [0,1,0,0,0,0|0,0,1]=2 1736 B8R0.5 C\C=C\[C@H](C)CC(C)=O Amb28246522 [0,1,0,0,0,0|1,0,1]=3 1737 B8R0.5 N#CCC(O)CC(=O)O Amb27249794 [0,1,0,0,0,0|1,0,1]=3 1738 B8R0.5 N#CCC(O)CC(N)=O Amb27259184 [0,1,0,0,0,0|2,0,1]=4 1739 B8R0.5 N#CCS(=O)CC(=O)O Amb18984975 [0,1,0,0,0,0|2,0,1]=4 1740 B8R0.5 N#CC[C@@H](O)CC(N)=O Amb22225367 [0,1,0,0,0,0|2,0,1]=4 1741 B8R0.5 N#CC[C@H](O)CC(N)=O Amb22226710 [0,1,0,0,0,0|2,0,1]=4 1742 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [0,1,0,0,0,0|1,0,0]=2 1743 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [0,1,0,0,0,0|1,0,0]=2 1744 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [0,1,0,0,0,0|1,0,0]=2 1745 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [0,1,0,0,0,0|1,0,0]=2 1746 B8R0.5 NCCS(=O)CC(N)=O Amb28456172 [0,1,0,0,0,0|3,0,0]=4 1747 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [0,1,0,0,0,0|1,0,0]=2 1748 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [0,1,0,0,0,0|1,0,0]=2 1749 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [0,1,0,0,0,0|1,0,0]=2 1750 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [0,1,0,0,0,0|1,0,0]=2 1751 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [0,1,0,0,0,0|1,0,0]=2 1752 B8R0.5 O=C(O)CC(O)CNO Amb28044304 [0,1,0,0,0,0|2,0,0]=3 1753 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [0,1,0,0,0,0|1,0,0]=2 1754 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [0,1,0,0,0,0|1,0,0]=2 1755 B8R0.5 O=C(O)\C=C(/Cl)CCO Amb27845284 [0,1,0,0,0,0|1,0,2]=4 1756 B8R0.5 [C-]#[N+]CC(C)NC(C)=O Amb27967258 [0,1,0,0,0,0|2,0,1]=4 1757 B8R0.16 C#CC(C#N)CC(=O)O Amb28144249 [0,1,0,0,0,0|0,0,3]=4 1758 B8R0.16 C#CC(CC)NC(N)=O Amb28074397 [0,1,0,0,0,0|2,0,1]=4 1759 B8R0.16 C#CC(CC)OC(C)=O Amb27837591 [0,1,0,0,0,0|2,0,1]=4 1760 B8R0.16 C=C(Br)CN(CC)CC Amb27450395 [0,1,0,0,0,0|3,0,0]=4 1761 B8R0.16 C=C(C)CC(CC)CBr Amb32688070 [0,1,0,0,0,0|2,0,0]=3 1762 B8R0.16 C=C(C)CC(CC)CCl Amb32688067 [0,1,0,0,0,0|2,0,0]=3 1763 B8R0.16 C=C(C)CC(CC)NC Amb27468504 [0,1,0,0,0,0|2,0,0]=3 1764 B8R0.16 C=C(C)C[C@H](CO)OC Amb28049101 [0,1,0,0,0,0|3,0,0]=4 1765 B8R0.16 C=C(Cl)CC(CC)CBr Amb32688078 [0,1,0,0,0,0|2,0,0]=3 1766 B8R0.16 C=C(Cl)CC(CC)CCl Amb32688075 [0,1,0,0,0,0|2,0,0]=3 1767 B8R0.16 C=C(Cl)CN(CC)CC Amb28312922 [0,1,0,0,0,0|3,0,0]=4 1768 B8R0.16 C=CC(C=C)CC(=O)O Amb18642422 [0,1,0,0,0,0|0,0,3]=4 1769 B8R0.16 C=CC(CC(C)=O)OC Amb26556400 [0,1,0,0,0,0|1,0,2]=4 1770 B8R0.16 C=CC(CC)CC(=O)O Amb18642661 [0,1,0,0,0,0|0,0,1]=2 1771 B8R0.16 C=CC(CC)OC(C)=O Amb24325174 [0,1,0,0,0,0|2,0,1]=4 1772 B8R0.16 C=C[C@@H](CC)CC(=O)O Amb27784737 [0,1,0,0,0,0|0,0,1]=2 1773 B8R0.16 C=C\C(=C/C(=O)O)CC Amb28058156 [0,1,0,0,0,0|0,0,3]=4 1774 B8R0.16 CC(=O)NC(CO)CO Amb25127062 [0,1,0,0,0,0|3,0,0]=4 1775 B8R0.16 CC(=O)N[C@@H](CO)CS Amb27393209 [0,1,0,0,0,0|3,0,0]=4 1776 B8R0.16 CC(=O)OC(CCl)CBr Amb28068346 [0,1,0,0,0,0|3,0,0]=4 1777 B8R0.16 CC(=O)OC(CCl)CCl Amb26353012 [0,1,0,0,0,0|3,0,0]=4 1778 B8R0.16 CC(=O)OC(CN)CBr Amb28244785 [0,1,0,0,0,0|3,0,0]=4 1779 B8R0.16 CC(=O)OC(CO)CBr Amb28286806 [0,1,0,0,0,0|3,0,0]=4 1780 B8R0.16 CC(=O)O[C@H](CO)CCl Amb27945582 [0,1,0,0,0,0|3,0,0]=4 1781 B8R0.16 CC(=O)SC(CN)CN Amb24117511 [0,1,0,0,0,0|3,0,0]=4 1782 B8R0.16 CCC(=CC(=O)Cl)CC Amb27162214 [0,1,0,0,0,0|1,0,2]=4 1783 B8R0.16 CCC(=CC(=O)O)CC Amb6749110 [0,1,0,0,0,0|0,0,2]=3 1784 B8R0.16 CCC(C#N)CC(=O)O Amb26871850 [0,1,0,0,0,0|0,0,1]=2 1785 B8R0.16 CCC(C#N)NC(C)=O Amb27837460 [0,1,0,0,0,0|2,0,1]=4 1786 B8R0.16 CCC(C#N)OC(C)=O Amb24593580 [0,1,0,0,0,0|2,0,1]=4 1787 B8R0.16 CCC(C=O)CC(C)=O Amb18642641 [0,1,0,0,0,0|1,0,1]=3 1788 B8R0.16 CCC(CBr)CC(C)C Amb25740694 [0,1,0,0,0,0|2,0,1]=4 1789 B8R0.16 CCC(CBr)CC(F)F Amb32666955 [0,1,0,0,0,0|2,0,1]=4 1790 B8R0.16 CCC(CBr)OC(C)=O Amb27945591 [0,1,0,0,0,0|2,0,0]=3 1791 B8R0.16 CCC(CC(=N)N)OC Amb9029652 [0,1,0,0,0,0|2,0,0]=3 1792 B8R0.16 CCC(CC(=O)O)OC Amb19037306 [0,1,0,0,0,0|0,0,0]=1 1793 B8R0.16 CCC(CC(=O)O)SC Amb18316304 [0,1,0,0,0,0|0,0,0]=1 1794 B8R0.16 CCC(CC(C)=O)OC Amb25053006 [0,1,0,0,0,0|1,0,0]=2 1795 B8R0.16 CCC(CC(C)Br)OC Amb33433972 [0,1,0,0,0,0|2,0,1]=4 1796 B8R0.16 CCC(CC(C)N)OC Amb27431831 [0,1,0,0,0,0|2,0,1]=4 1797 B8R0.16 CCC(CC(C)O)OC Amb33326096 [0,1,0,0,0,0|1,0,1]=3 1798 B8R0.16 CCC(CC(N)=O)NC Amb27666636 [0,1,0,0,0,0|1,0,0]=2 1799 B8R0.16 CCC(CC(N)=O)OC Amb2611703 [0,1,0,0,0,0|1,0,0]=2 1800 B8R0.16 CCC(CC(N)=O)SC Amb27809399 [0,1,0,0,0,0|1,0,0]=2 1801 B8R0.16 CCC(CC(N)=S)OC Amb9029616 [0,1,0,0,0,0|1,1,0]=3 1802 B8R0.16 CCC(CC)CB(O)O Amb24360547 [0,1,0,0,0,0|1,0,1]=3 1803 B8R0.16 CCC(CC)CC(=N)N Amb25213951 [0,1,0,0,0,0|2,0,0]=3 1804 B8R0.16 CCC(CC)CC(=O)O Amb6749211 [0,1,0,0,0,0|0,0,0]=1 1805 B8R0.16 CCC(CC)CC(C)=O Amb25791160 [0,1,0,0,0,0|1,0,0]=2 1806 B8R0.16 CCC(CC)CC(C)Br Amb33336575 [0,1,0,0,0,0|2,0,1]=4 1807 B8R0.16 CCC(CC)CC(C)C Amb27209017 [0,1,0,0,0,0|2,0,1]=4 1808 B8R0.16 CCC(CC)CC(C)Cl Amb28123904 [0,1,0,0,0,0|2,0,1]=4 1809 B8R0.16 CCC(CC)CC(C)O Amb27868247 [0,1,0,0,0,0|1,0,1]=3 1810 B8R0.16 CCC(CC)CC(Cl)Cl Amb27760862 [0,1,0,0,0,0|2,0,1]=4 1811 B8R0.16 CCC(CC)CC(N)=O Amb28072905 [0,1,0,0,0,0|1,0,0]=2 1812 B8R0.16 CCC(CC)CC(N)=S Amb24642789 [0,1,0,0,0,0|1,1,0]=3 1813 B8R0.16 CCC(CC)CN(C)O Amb33313813 [0,1,0,0,0,0|2,0,0]=3 1814 B8R0.16 CCC(CC)CS(=O)[O-] Amb32754097 [0,1,0,0,0,0|1,0,1]=3 1815 B8R0.16 CCC(CC)C[C@@H](C)N Amb33313776 [0,1,0,0,0,0|2,0,1]=4 1816 B8R0.16 CCC(CC)C[C@@H](C)O Amb26502185 [0,1,0,0,0,0|1,0,1]=3 1817 B8R0.16 CCC(CC)C[C@H](C)N Amb33313775 [0,1,0,0,0,0|2,0,1]=4 1818 B8R0.16 CCC(CC)C[C@H](C)O Amb33313773 [0,1,0,0,0,0|1,0,1]=3 1819 B8R0.16 CCC(CC)C[N+](=O)[O-] Amb25174023 [0,1,0,0,0,0|1,0,1]=3 1820 B8R0.16 CCC(CC)NC(=O)Cl Amb35637078 [0,1,0,0,0,0|2,0,0]=3 1821 B8R0.16 CCC(CC)NC(C)=N Amb27487808 [0,1,0,0,0,0|3,0,0]=4 1822 B8R0.16 CCC(CC)NC(C)=O Amb3886548 [0,1,0,0,0,0|2,0,0]=3 1823 B8R0.16 CCC(CC)NC(N)=O Amb1138537 [0,1,0,0,0,0|2,0,0]=3 1824 B8R0.16 CCC(CC)NC(N)=S Amb9212103 [0,1,0,0,0,0|2,1,0]=4 1825 B8R0.16 CCC(CC)OC(=O)Cl Amb26860668 [0,1,0,0,0,0|2,0,0]=3 1826 B8R0.16 CCC(CC)OC(C)=O Amb24617396 [0,1,0,0,0,0|2,0,0]=3 1827 B8R0.16 CCC(CC)SC(=N)N Amb27167081 [0,1,0,0,0,0|3,0,0]=4 1828 B8R0.16 CCC(CCl)CC(C)C Amb27423740 [0,1,0,0,0,0|2,0,1]=4 1829 B8R0.16 CCC(CCl)CC(F)F Amb32688144 [0,1,0,0,0,0|2,0,1]=4 1830 B8R0.16 CCC(CCl)CN(C)C Amb28254067 [0,1,0,0,0,0|3,0,0]=4 1831 B8R0.16 CCC(CCl)\N=C(/C)Cl Amb27850335 [0,1,0,0,0,0|3,0,0]=4 1832 B8R0.16 CCC(CN(C)O)OC Amb33320153 [0,1,0,0,0,0|2,0,0]=3 1833 B8R0.16 CCC(CN)CC(=O)O Amb20669457 [0,1,0,0,0,0|0,0,0]=1 1834 B8R0.16 CCC(CN)CC(=O)O Amb22059482 [0,1,0,0,0,0|0,0,0]=1 1835 B8R0.16 CCC(CN)CC(F)F Amb32665060 [0,1,0,0,0,0|2,0,1]=4 1836 B8R0.16 CCC(CN)CC(F)F Amb32665061 [0,1,0,0,0,0|2,0,1]=4 1837 B8R0.16 CCC(CN)CN(C)C Amb25146879 [0,1,0,0,0,0|3,0,0]=4 1838 B8R0.16 CCC(CN)NC(C)=O Amb18112590 [0,1,0,0,0,0|2,0,0]=3 1839 B8R0.16 CCC(CN)NC(N)=O Amb18908302 [0,1,0,0,0,0|2,0,0]=3 1840 B8R0.16 CCC(CO)CC(C)C Amb22641858 [0,1,0,0,0,0|2,0,1]=4 1841 B8R0.16 CCC(CO)CC(C)O Amb27260248 [0,1,0,0,0,0|1,0,1]=3 1842 B8R0.16 CCC(CO)CC(F)F Amb32664601 [0,1,0,0,0,0|2,0,1]=4 1843 B8R0.16 CCC(CO)NC(=N)N Amb28049688 [0,1,0,0,0,0|3,0,0]=4 1844 B8R0.16 CCC(CO)NS(C)=O Amb27862014 [0,1,0,0,0,0|3,0,0]=4 1845 B8R0.16 CCC(CS(=O)Cl)OC Amb32720785 [0,1,0,0,0,0|2,0,0]=3 1846 B8R0.16 CCC(CS(=O)[O-])OC Amb32755240 [0,1,0,0,0,0|1,0,1]=3 1847 B8R0.16 CCC(CS(C)=O)NC Amb27461011 [0,1,0,0,0,0|2,0,0]=3 1848 B8R0.16 CCC(CS(N)=O)OC Amb32720787 [0,1,0,0,0,0|2,0,0]=3 1849 B8R0.16 CCC(C[C@@H](C)N)OC Amb33325781 [0,1,0,0,0,0|2,0,1]=4 1850 B8R0.16 CCC(C[C@@H](C)O)OC Amb33325777 [0,1,0,0,0,0|1,0,1]=3 1851 B8R0.16 CCC(C[C@H](C)N)OC Amb33325780 [0,1,0,0,0,0|2,0,1]=4 1852 B8R0.16 CCC(C[C@H](C)O)OC Amb33325778 [0,1,0,0,0,0|1,0,1]=3 1853 B8R0.16 CCC(C[N+](=O)[O-])OC Amb33325772 [0,1,0,0,0,0|1,0,1]=3 1854 B8R0.16 CCC(OC)OC(C)=O Amb28133007 [0,1,0,0,0,0|2,0,0]=3 1855 B8R0.16 CCN(C#N)CC(=O)O Amb35634503 [0,1,0,0,0,0|1,0,1]=3 1856 B8R0.16 CCN(C=O)CC(=O)O Amb18972736 [0,1,0,0,0,0|1,0,1]=3 1857 B8R0.16 CCN(C=O)CC(N)=O Amb27593321 [0,1,0,0,0,0|2,0,1]=4 1858 B8R0.16 CCN(CC(N)=O)N=O Amb27173174 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.16 CCN(CC)CC(=O)O Amb19258254 [0,1,0,0,0,0|1,0,0]=2 1860 B8R0.16 CCN(CC)CC(=O)O Amb2721806 [0,1,0,0,0,0|1,0,0]=2 1861 B8R0.16 CCN(CC)CC(=O)[O-] Amb22732183 [0,1,0,0,0,0|1,0,1]=3 1862 B8R0.16 CCN(CC)CC(C)O Amb8513117 [0,1,0,0,0,0|2,0,1]=4 1863 B8R0.16 CCN(CC)CC(N)=O Amb7101625 [0,1,0,0,0,0|2,0,0]=3 1864 B8R0.16 CCN(CC)CC(N)=S Amb6279098 [0,1,0,0,0,0|2,1,0]=4 1865 B8R0.16 CCP(CC)CC(C)=O Amb27631555 [0,1,0,0,0,0|2,0,0]=3 1866 B8R0.16 CC[C@@H](C#N)NC(C)=O Amb27450708 [0,1,0,0,0,0|2,0,1]=4 1867 B8R0.16 CC[C@@H](CO)NC(C)=O Amb27251985 [0,1,0,0,0,0|2,0,0]=3 1868 B8R0.16 CC[C@@H](CO)NS(C)=O Amb27227790 [0,1,0,0,0,0|3,0,0]=4 1869 B8R0.16 CC[C@@H](CO)OC(C)=O Amb27879395 [0,1,0,0,0,0|2,0,0]=3 1870 B8R0.16 CC[C@@H](CO)\N=C(/C)N Amb27660517 [0,1,0,0,0,0|3,0,0]=4 1871 B8R0.16 CC[C@H](C=O)CC(=O)[O-] Amb28198369 [0,1,0,0,0,0|0,0,2]=3 1872 B8R0.16 CC[C@H](CBr)OC(C)=O Amb27771714 [0,1,0,0,0,0|2,0,0]=3 1873 B8R0.16 CC[C@H](CO)CC(C)C Amb27601183 [0,1,0,0,0,0|2,0,1]=4 1874 B8R0.16 CC[C@H](CO)NC(=N)N Amb27881626 [0,1,0,0,0,0|3,0,0]=4 1875 B8R0.16 CC[C@H](CO)\N=C(/C)N Amb27479378 [0,1,0,0,0,0|3,0,0]=4 1876 B8R0.16 CC\C(=C\C(C)=O)NC Amb25921042 [0,1,0,0,0,0|1,0,2]=4 1877 B8R0.16 CC\[N+](CC(=O)O)=N\[O-] Amb25365958 [0,1,0,0,0,0|2,0,0]=3 1878 B8R0.16 CNC(C#N)CC(N)=O Amb28046414 [0,1,0,0,0,0|2,0,1]=4 1879 B8R0.16 CNC(CN(=O)=O)SC Amb20621640 [0,1,0,0,0,0|2,0,1]=4 1880 B8R0.16 CNC(CN)CC(N)=O Amb28247281 [0,1,0,0,0,0|2,0,0]=3 1881 B8R0.16 COC(CC(=N)N)OC Amb4297072 [0,1,0,0,0,0|3,0,0]=4 1882 B8R0.16 COC(CC(=O)O)OC Amb22231899 [0,1,0,0,0,0|1,0,0]=2 1883 B8R0.16 COC(CC(C)=O)OC Amb6608687 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.16 COC(CC(C)O)OC Amb22728270 [0,1,0,0,0,0|2,0,1]=4 1885 B8R0.16 COC(CC(N)=O)OC Amb2417314 [0,1,0,0,0,0|2,0,0]=3 1886 B8R0.16 COC(CC(N)=S)OC Amb33340611 [0,1,0,0,0,0|2,1,0]=4 1887 B8R0.16 COC(CCl)CC(C)=O Amb28364308 [0,1,0,0,0,0|2,0,0]=3 1888 B8R0.16 COC(CCl)SC(C)=O Amb27945570 [0,1,0,0,0,0|3,0,0]=4 1889 B8R0.16 COC(CN(C)O)OC Amb33342026 [0,1,0,0,0,0|3,0,0]=4 1890 B8R0.16 COC(CN)CC(=O)O Amb27806172 [0,1,0,0,0,0|1,0,0]=2 1891 B8R0.16 COC(CN)CC(=O)O Amb28555397 [0,1,0,0,0,0|1,0,0]=2 1892 B8R0.16 COC(CN)CC(N)=O Amb28189645 [0,1,0,0,0,0|2,0,0]=3 1893 B8R0.16 COC(CN)CC(N)=O Amb32952894 [0,1,0,0,0,0|2,0,0]=3 1894 B8R0.16 COC(C[C@@H](C)O)OC Amb26059603 [0,1,0,0,0,0|2,0,1]=4 1895 B8R0.16 COC(C[C@H](C)O)OC Amb24404610 [0,1,0,0,0,0|2,0,1]=4 1896 B8R0.16 COC(C[N+](=O)[O-])OC Amb22168374 [0,1,0,0,0,0|2,0,1]=4 1897 B8R0.16 CO[C@@H](CO)C[C@@H](C)O Amb28455092 [0,1,0,0,0,0|2,0,1]=4 1898 B8R0.16 CSC(=CC(=O)O)SC Amb27592170 [0,1,0,0,0,0|1,0,2]=4 1899 B8R0.16 CSC(CC(=O)O)SC Amb27165674 [0,1,0,0,0,0|1,0,0]=2 1900 B8R0.16 CSC(CCl)CC(=O)O Amb28042698 [0,1,0,0,0,0|1,0,0]=2 1901 B8R0.16 C\C=C(/CC)CC(=O)O Amb27473412 [0,1,0,0,0,0|0,0,1]=2 1902 B8R0.16 C\C=C(/CC)CC(N)=O Amb27830307 [0,1,0,0,0,0|1,0,1]=3 1903 B8R0.16 C\C=C(/CC)NC(C)=O Amb28208259 [0,1,0,0,0,0|2,0,1]=4 1904 B8R0.16 NC(=O)NC(CO)CO Amb27814601 [0,1,0,0,0,0|3,0,0]=4 1905 B8R0.16 NCC(CF)CC(=O)O Amb27244579 [0,1,0,0,0,0|1,0,0]=2 1906 B8R0.16 NCC(CO)CC(=O)O Amb22546422 [0,1,0,0,0,0|1,0,0]=2 1907 B8R0.16 NC\C(=C/F)CC(=O)O Amb27960296 [0,1,0,0,0,0|1,0,2]=4 1908 B8R0.16 O=C(Cl)CC(CF)CCl Amb27955884 [0,1,0,0,0,0|2,0,0]=3 1909 B8R0.16 O=C(Cl)C[C@@H](CF)CCl Amb27478061 [0,1,0,0,0,0|2,0,0]=3 1910 B8R0.16 O=C(Cl)OC(CCl)CCl Amb13952835 [0,1,0,0,0,0|3,0,0]=4 1911 B8R0.16 O=C(O)CC(CF)CF Amb27448541 [0,1,0,0,0,0|1,0,0]=2 1912 B8R0.16 O=C(O)CC(CO)CCl Amb27468690 [0,1,0,0,0,0|1,0,0]=2 1913 B8R0.16 O=C(O)CN(CO)CO Amb27412887 [0,1,0,0,0,0|2,0,0]=3 1914 B8R0.16 O=[PH](O)OC(CCl)CCl Amb27750112 [0,1,0,0,0,0|3,0,0]=4 1915 B8R0.16 O=[PH](O)OC(CO)CO Amb27853107 [0,1,0,0,0,0|3,0,0]=4 1916 B8R0.19 C#CC(=O)NC(C)CC Amb27423996 [0,1,0,0,0,0|2,0,0]=3 1917 B8R0.19 C#CC(=O)NC(C)CF Amb27471920 [0,1,0,0,0,0|3,0,0]=4 1918 B8R0.19 C#CC(=O)NC(C)CN Amb18251099 [0,1,0,0,0,0|3,0,0]=4 1919 B8R0.19 C#CC(=O)N[C@@H](C)CO Amb27166336 [0,1,0,0,0,0|3,0,0]=4 1920 B8R0.19 C#CC(C)CC(=O)CC Amb27838679 [0,1,0,0,0,0|1,0,2]=4 1921 B8R0.19 C#CC(C)NC(=O)CO Amb27807118 [0,1,0,0,0,0|1,0,2]=4 1922 B8R0.19 C#CC(C)NC(=O)OC Amb27783258 [0,1,0,0,0,0|1,0,2]=4 1923 B8R0.19 C#CC(C)OC(=O)CO Amb27978647 [0,1,0,0,0,0|1,0,2]=4 1924 B8R0.19 C#CC(O)CC(=O)OC Amb28078873 [0,1,0,0,0,0|1,0,2]=4 1925 B8R0.19 C#CC(O)CC(C)CC Amb27870666 [0,1,0,0,0,0|1,0,1]=3 1926 B8R0.19 C#CC(O)CC(C)CN Amb35584628 [0,1,0,0,0,0|2,0,1]=4 1927 B8R0.19 C#CC(O)CC(N)CC Amb35740452 [0,1,0,0,0,0|2,0,1]=4 1928 B8R0.19 C#C[C@@H](N)CC(=O)OC Amb27393788 [0,1,0,0,0,0|1,0,2]=4 1929 B8R0.19 C=C(C#N)CC(O)CC Amb27602533 [0,1,0,0,0,0|3,0,0]=4 1930 B8R0.19 C=C(CBr)CC(=O)OC Amb28076120 [0,1,0,0,0,0|1,0,2]=4 1931 B8R0.19 C=C(CC)CC(C)CO Amb27956544 [0,1,0,0,0,0|3,0,0]=4 1932 B8R0.19 C=C(CC)CN(C)CC Amb28281518 [0,1,0,0,0,0|3,0,0]=4 1933 B8R0.19 C=C(CCl)CC(=O)OC Amb24053257 [0,1,0,0,0,0|1,0,2]=4 1934 B8R0.19 C=C(CCl)OC(C)CC Amb28076702 [0,1,0,0,0,0|3,0,0]=4 1935 B8R0.19 C=C(CO)CC(=O)OC Amb28455395 [0,1,0,0,0,0|1,0,2]=4 1936 B8R0.19 C=C(CO)SC(C)CC Amb28315517 [0,1,0,0,0,0|2,0,0]=3 1937 B8R0.19 C=CC(=O)C[C@@H](C)CC Amb27838707 [0,1,0,0,0,0|1,0,0]=2 1938 B8R0.19 C=CC(=O)NC(C)CN Amb18908294 [0,1,0,0,0,0|3,0,0]=4 1939 B8R0.19 C=CC(=O)N[C@H](C)CN Amb28125066 [0,1,0,0,0,0|3,0,0]=4 1940 B8R0.19 C=CC(=O)OC(C)CC Amb22733882 [0,1,0,0,0,0|2,0,0]=3 1941 B8R0.19 C=CC(=O)\C=C(/C)CC Amb27154903 [0,1,0,0,0,0|1,0,2]=4 1942 B8R0.19 CC(C#N)NC(=O)CO Amb27810055 [0,1,0,0,0,0|2,0,1]=4 1943 B8R0.19 CC(CBr)OC(=O)CCl Amb27203945 [0,1,0,0,0,0|3,0,0]=4 1944 B8R0.19 CC(CCl)OC(=O)CBr Amb27759483 [0,1,0,0,0,0|3,0,0]=4 1945 B8R0.19 CC(CCl)OC(=O)CF Amb27969186 [0,1,0,0,0,0|3,0,0]=4 1946 B8R0.19 CC(CN)CC(=O)NO Amb27395401 [0,1,0,0,0,0|1,0,0]=2 1947 B8R0.19 CC(CN)CC(C)CO Amb32759400 [0,1,0,0,0,0|2,0,1]=4 1948 B8R0.19 CC(CO)CN(C)C=O Amb28206110 [0,1,0,0,0,0|3,0,0]=4 1949 B8R0.19 CC(CO)NC(=O)CCl Amb18791488 [0,1,0,0,0,0|3,0,0]=4 1950 B8R0.19 CC(CO)NC(=O)CO Amb27652814 [0,1,0,0,0,0|2,0,0]=3 1951 B8R0.19 CC(CO)NC(=O)CS Amb28364720 [0,1,0,0,0,0|2,1,0]=4 1952 B8R0.19 CCC(=N)NC(C)CC Amb27963407 [0,1,0,0,0,0|3,0,0]=4 1953 B8R0.19 CCC(=O)CC(=O)CC Amb2688649 [0,1,0,0,0,0|2,0,1]=4 1954 B8R0.19 CCC(=O)CC(=O)OC Amb2691582 [0,1,0,0,0,0|1,0,1]=3 1955 B8R0.19 CCC(=O)CC(C)CC Amb9702836 [0,1,0,0,0,0|1,0,0]=2 1956 B8R0.19 CCC(=O)CC(O)CC Amb28144079 [0,1,0,0,0,0|2,0,0]=3 1957 B8R0.19 CCC(=O)CN(C)CC Amb27837485 [0,1,0,0,0,0|2,0,0]=3 1958 B8R0.19 CCC(=O)C[C@H](O)OC Amb27838622 [0,1,0,0,0,0|3,0,0]=4 1959 B8R0.19 CCC(=O)NC(=O)OC Amb27845509 [0,1,0,0,0,0|2,0,1]=4 1960 B8R0.19 CCC(=O)NC(C)CBr Amb27838583 [0,1,0,0,0,0|3,0,0]=4 1961 B8R0.19 CCC(=O)NC(C)CO Amb9275911 [0,1,0,0,0,0|3,0,0]=4 1962 B8R0.19 CCC(=O)NC(C)OC Amb27403914 [0,1,0,0,0,0|3,0,0]=4 1963 B8R0.19 CCC(=O)N[C@@H](C)CN Amb27854133 [0,1,0,0,0,0|3,0,0]=4 1964 B8R0.19 CCC(=O)N[C@@H](C)CO Amb27811661 [0,1,0,0,0,0|3,0,0]=4 1965 B8R0.19 CCC(=O)N[C@H](C)CN Amb27779792 [0,1,0,0,0,0|3,0,0]=4 1966 B8R0.19 CCC(=O)N[C@H](C)CO Amb27240730 [0,1,0,0,0,0|3,0,0]=4 1967 B8R0.19 CCC(=O)OC(Cl)CC Amb27392331 [0,1,0,0,0,0|3,0,0]=4 1968 B8R0.19 CCC(=O)OC(O)CC Amb28206135 [0,1,0,0,0,0|3,0,0]=4 1969 B8R0.19 CCC(=O)\C=C(/C)CC Amb27838819 [0,1,0,0,0,0|1,0,2]=4 1970 B8R0.19 CCC(=O)\C=C(\C)CC Amb28397482 [0,1,0,0,0,0|1,0,2]=4 1971 B8R0.19 CCC(Br)CC(=O)OC Amb27477901 [0,1,0,0,0,0|1,0,0]=2 1972 B8R0.19 CCC(C)CC(=N)NC Amb35670868 [0,1,0,0,0,0|2,0,0]=3 1973 B8R0.19 CCC(C)CC(=O)CCl Amb22395327 [0,1,0,0,0,0|1,0,0]=2 1974 B8R0.19 CCC(C)CC(=O)CO Amb26515791 [0,1,0,0,0,0|0,0,0]=1 1975 B8R0.19 CCC(C)CC(=O)NO Amb28321295 [0,1,0,0,0,0|0,0,0]=1 1976 B8R0.19 CCC(C)CC(=O)OC Amb22352867 [0,1,0,0,0,0|0,0,0]=1 1977 B8R0.19 CCC(C)CC(Br)C#N Amb27843778 [0,1,0,0,0,0|2,0,1]=4 1978 B8R0.19 CCC(C)CC(C)CBr Amb24630146 [0,1,0,0,0,0|2,0,1]=4 1979 B8R0.19 CCC(C)CC(C)CC Amb22229085 [0,1,0,0,0,0|2,0,1]=4 1980 B8R0.19 CCC(C)CC(C)CCl Amb24644668 [0,1,0,0,0,0|2,0,1]=4 1981 B8R0.19 CCC(C)CC(C)CN Amb18312039 [0,1,0,0,0,0|2,0,1]=4 1982 B8R0.19 CCC(C)CC(C)CO Amb24574609 [0,1,0,0,0,0|1,0,1]=3 1983 B8R0.19 CCC(C)CC(Cl)CC Amb7766819 [0,1,0,0,0,0|2,0,1]=4 1984 B8R0.19 CCC(C)CC(N)CC Amb6250263 [0,1,0,0,0,0|2,0,1]=4 1985 B8R0.19 CCC(C)CC(N)CO Amb24721873 [0,1,0,0,0,0|1,0,1]=3 1986 B8R0.19 CCC(C)CC(N)CO Amb28960291 [0,1,0,0,0,0|1,0,1]=3 1987 B8R0.19 CCC(C)CC(O)CN Amb25044040 [0,1,0,0,0,0|1,0,1]=3 1988 B8R0.19 CCC(C)CC(S)CC Amb7784735 [0,1,0,0,0,0|1,1,1]=4 1989 B8R0.19 CCC(C)CN(C)C#N Amb27768576 [0,1,0,0,0,0|3,0,0]=4 1990 B8R0.19 CCC(C)C[C@@H](C)CN Amb33744689 [0,1,0,0,0,0|2,0,1]=4 1991 B8R0.19 CCC(C)C[C@@H](C)CO Amb33736426 [0,1,0,0,0,0|1,0,1]=3 1992 B8R0.19 CCC(C)C[C@H](C)CN Amb33730080 [0,1,0,0,0,0|2,0,1]=4 1993 B8R0.19 CCC(C)C[C@H](C)CO Amb26516131 [0,1,0,0,0,0|1,0,1]=3 1994 B8R0.19 CCC(C)C\C(N)=N\N Amb27652257 [0,1,0,0,0,0|2,0,0]=3 1995 B8R0.19 CCC(C)C\C(N)=N\O Amb24415677 [0,1,0,0,0,0|1,0,0]=2 1996 B8R0.19 CCC(C)NC(=N)NC Amb27845013 [0,1,0,0,0,0|3,0,0]=4 1997 B8R0.19 CCC(C)NC(=O)CBr Amb17331628 [0,1,0,0,0,0|2,0,0]=3 1998 B8R0.19 CCC(C)NC(=O)CCl Amb1149867 [0,1,0,0,0,0|2,0,0]=3 1999 B8R0.19 CCC(C)NC(=O)CF Amb28049930 [0,1,0,0,0,0|2,0,0]=3 2000 B8R0.19 CCC(C)NC(=O)CO Amb5798172 [0,1,0,0,0,0|1,0,0]=2 2001 B8R0.19 CCC(C)NC(=O)NC Amb3538405 [0,1,0,0,0,0|2,0,0]=3 2002 B8R0.19 CCC(C)NC(=S)NC Amb9237115 [0,1,0,0,0,0|2,1,0]=4 2003 B8R0.19 CCC(C)NC(=S)NN Amb9205772 [0,1,0,0,0,0|2,1,0]=4 2004 B8R0.19 CCC(C)OC(=O)CBr Amb28126234 [0,1,0,0,0,0|2,0,0]=3 2005 B8R0.19 CCC(C)OC(=O)CCl Amb26360779 [0,1,0,0,0,0|2,0,0]=3 2006 B8R0.19 CCC(C)OC(=O)CS Amb26841875 [0,1,0,0,0,0|1,1,0]=3 2007 B8R0.19 CCC(C)OC(=O)NN Amb27769116 [0,1,0,0,0,0|2,0,0]=3 2008 B8R0.19 CCC(C)SC(=S)OC Amb28049421 [0,1,0,0,0,0|1,1,0]=3 2009 B8R0.19 CCC(C)\C=C(\C)C=O Amb27205774 [0,1,0,0,0,0|1,0,1]=3 2010 B8R0.19 CCC(Cl)CC(=O)OC Amb27971680 [0,1,0,0,0,0|1,0,0]=2 2011 B8R0.19 CCC(F)CN(C)OC Amb27837655 [0,1,0,0,0,0|3,0,0]=4 2012 B8R0.19 CCC(N)CC(=O)OC Amb18203185 [0,1,0,0,0,0|1,0,0]=2 2013 B8R0.19 CCC(N)CC(=O)OC Amb22264719 [0,1,0,0,0,0|1,0,0]=2 2014 B8R0.19 CCC(N)CC(C)CO Amb19149274 [0,1,0,0,0,0|2,0,1]=4 2015 B8R0.19 CCC(N)CC(O)CC Amb25858181 [0,1,0,0,0,0|2,0,1]=4 2016 B8R0.19 CCC(N)CC(O)CF Amb33220388 [0,1,0,0,0,0|2,0,1]=4 2017 B8R0.19 CCC(N)CC(O)CO Amb27792071 [0,1,0,0,0,0|1,0,2]=4 2018 B8R0.19 CCC(N)CN(C)OC Amb27981780 [0,1,0,0,0,0|3,0,0]=4 2019 B8R0.19 CCC(N)CS(=O)CC Amb27408740 [0,1,0,0,0,0|3,0,0]=4 2020 B8R0.19 CCC(N)C\C(C)=C\Cl Amb29879760 [0,1,0,0,0,0|3,0,0]=4 2021 B8R0.19 CCC(N)C\C(N)=N\O Amb24379538 [0,1,0,0,0,0|2,0,0]=3 2022 B8R0.19 CCC(O)CC(=O)OC Amb24425172 [0,1,0,0,0,0|1,0,0]=2 2023 B8R0.19 CCC(O)CC(O)CC Amb25702353 [0,1,0,0,0,0|2,0,1]=4 2024 B8R0.19 CCC(O)CN(C)CC Amb26495445 [0,1,0,0,0,0|2,0,1]=4 2025 B8R0.19 CCC(O)OC(=O)CS Amb27768823 [0,1,0,0,0,0|2,1,0]=4 2026 B8R0.19 CCN(C)CC(=O)NC Amb28208183 [0,1,0,0,0,0|2,0,0]=3 2027 B8R0.19 CCN(C)CC(=O)NN Amb10608256 [0,1,0,0,0,0|2,0,0]=3 2028 B8R0.19 CCN(C)CC(=O)NN Amb19890161 [0,1,0,0,0,0|2,0,0]=3 2029 B8R0.19 CCN(C)CC(=O)OC Amb8873255 [0,1,0,0,0,0|1,0,0]=2 2030 B8R0.19 CCN(C)CC(O)CBr Amb27768807 [0,1,0,0,0,0|2,0,1]=4 2031 B8R0.19 CCN(C)CC(O)CF Amb26895391 [0,1,0,0,0,0|2,0,1]=4 2032 B8R0.19 CCN(C)C[C@@H](O)CN Amb27180634 [0,1,0,0,0,0|2,0,1]=4 2033 B8R0.19 CCN(C)C[C@H](O)CN Amb27956611 [0,1,0,0,0,0|2,0,1]=4 2034 B8R0.19 CCN(C)C\C(Cl)=C\Cl Amb28049321 [0,1,0,0,0,0|3,0,0]=4 2035 B8R0.19 CCS(=O)CC(C)NC Amb28240083 [0,1,0,0,0,0|3,0,0]=4 2036 B8R0.19 CC[C@@H](C)CC(=O)OC Amb28059460 [0,1,0,0,0,0|0,0,0]=1 2037 B8R0.19 CC[C@@H](C)C[C@@H](C)C=O Amb27798245 [0,1,0,0,0,0|1,0,1]=3 2038 B8R0.19 CC[C@@H](C)C[C@@H](C)CO Amb27650160 [0,1,0,0,0,0|1,0,1]=3 2039 B8R0.19 CC[C@@H](N)CC(=O)OC Amb20241226 [0,1,0,0,0,0|1,0,0]=2 2040 B8R0.19 CC[C@@H](N)CC(=O)OC Amb26016603 [0,1,0,0,0,0|1,0,0]=2 2041 B8R0.19 CC[C@@H](N)CC(C)OC Amb27858077 [0,1,0,0,0,0|2,0,1]=4 2042 B8R0.19 CC[C@@H](N)C[C@H](O)CC Amb19929572 [0,1,0,0,0,0|2,0,1]=4 2043 B8R0.19 CC[C@@H](O)CC(=O)OC Amb22224793 [0,1,0,0,0,0|1,0,0]=2 2044 B8R0.19 CC[C@@H](O)CN(C)CC Amb27829340 [0,1,0,0,0,0|2,0,1]=4 2045 B8R0.19 CC[C@@H](O)C[C@H](O)CC Amb22388488 [0,1,0,0,0,0|2,0,1]=4 2046 B8R0.19 CC[C@@H](O)\C=C(/C)C=O Amb27257893 [0,1,0,0,0,0|2,0,1]=4 2047 B8R0.19 CC[C@H](C)CC(=O)NC Amb27596095 [0,1,0,0,0,0|1,0,0]=2 2048 B8R0.19 CC[C@H](C)CC(C)C=O Amb27257883 [0,1,0,0,0,0|1,0,1]=3 2049 B8R0.19 CC[C@H](C)NC(=O)OC Amb28049899 [0,1,0,0,0,0|1,0,0]=2 2050 B8R0.19 CC[C@H](C)\C=C(\C)CO Amb27406971 [0,1,0,0,0,0|1,0,1]=3 2051 B8R0.19 CC[C@H](N)CC(=O)OC Amb27411455 [0,1,0,0,0,0|1,0,0]=2 2052 B8R0.19 CC[C@H](N)CC(=O)OC Amb33457880 [0,1,0,0,0,0|1,0,0]=2 2053 B8R0.19 CC[C@H](N)C[C@H](O)CC Amb19929573 [0,1,0,0,0,0|2,0,1]=4 2054 B8R0.19 CC[C@H](O)CC(=O)OC Amb20240681 [0,1,0,0,0,0|1,0,0]=2 2055 B8R0.19 CC[C@H](O)C[C@@H](O)CC Amb24467480 [0,1,0,0,0,0|2,0,1]=4 2056 B8R0.19 CC[C@H](O)C[C@H](O)CC Amb27604338 [0,1,0,0,0,0|2,0,1]=4 2057 B8R0.19 CC\C(C)=C\C(=O)OC Amb25334129 [0,1,0,0,0,0|0,0,2]=3 2058 B8R0.19 CC\C(C)=C\C(C)CC Amb24061667 [0,1,0,0,0,0|2,0,1]=4 2059 B8R0.19 CC\C(N)=C\C(=O)OC Amb26515846 [0,1,0,0,0,0|1,0,2]=4 2060 B8R0.19 CNC(=O)CC(=O)OC Amb17399823 [0,1,0,0,0,0|2,0,1]=4 2061 B8R0.19 CNC(=O)CC(C)C#N Amb17334086 [0,1,0,0,0,0|2,0,1]=4 2062 B8R0.19 CNC(=O)CC(C)CN Amb27961028 [0,1,0,0,0,0|2,0,0]=3 2063 B8R0.19 CNC(=O)CC(C)NC Amb10608347 [0,1,0,0,0,0|2,0,0]=3 2064 B8R0.19 CNC(=O)CC(C)NC Amb22587223 [0,1,0,0,0,0|2,0,0]=3 2065 B8R0.19 CNC(=O)CC(O)CO Amb25960171 [0,1,0,0,0,0|3,0,0]=4 2066 B8R0.19 CNC(=O)N[C@H](C)CN Amb27812083 [0,1,0,0,0,0|3,0,0]=4 2067 B8R0.19 CNC(C)CC(=O)OC Amb9398364 [0,1,0,0,0,0|1,0,0]=2 2068 B8R0.19 CNC(C)C\C(N)=N\O Amb25147148 [0,1,0,0,0,0|2,0,0]=3 2069 B8R0.19 CN[C@H](C)CC(=O)OC Amb33495831 [0,1,0,0,0,0|1,0,0]=2 2070 B8R0.19 CN\C(C)=C/C(=O)OC Amb2386651 [0,1,0,0,0,0|1,0,2]=4 2071 B8R0.19 CN\C(C)=C\C(=O)OC Amb24401759 [0,1,0,0,0,0|1,0,2]=4 2072 B8R0.19 COC(=N)CC(=O)OC Amb24476600 [0,1,0,0,0,0|2,0,1]=4 2073 B8R0.19 COC(=N)CC(C)OC Amb27864965 [0,1,0,0,0,0|2,0,0]=3 2074 B8R0.19 COC(=O)CC(=O)CCl Amb3940254 [0,1,0,0,0,0|2,0,1]=4 2075 B8R0.19 COC(=O)CC(=O)CF Amb27409309 [0,1,0,0,0,0|2,0,1]=4 2076 B8R0.19 COC(=O)CC(=O)OC Amb6196416 [0,1,0,0,0,0|2,0,1]=4 2077 B8R0.19 COC(=O)CC(=S)OC Amb27399792 [0,1,0,0,0,0|2,0,1]=4 2078 B8R0.19 COC(=O)CC(C)C#N Amb17334095 [0,1,0,0,0,0|1,0,1]=3 2079 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [0,1,0,0,0,0|1,0,1]=3 2080 B8R0.19 COC(=O)CC(C)CBr Amb24692917 [0,1,0,0,0,0|1,0,0]=2 2081 B8R0.19 COC(=O)CC(C)CN Amb18642843 [0,1,0,0,0,0|1,0,0]=2 2082 B8R0.19 COC(=O)CC(C)CN Amb33457749 [0,1,0,0,0,0|1,0,0]=2 2083 B8R0.19 COC(=O)CC(C)OC Amb9397848 [0,1,0,0,0,0|1,0,0]=2 2084 B8R0.19 COC(=O)CC(C)SC Amb19374125 [0,1,0,0,0,0|1,0,0]=2 2085 B8R0.19 COC(=O)CC(F)C=O Amb27173133 [0,1,0,0,0,0|2,0,1]=4 2086 B8R0.19 COC(=O)CC(F)CBr Amb28400231 [0,1,0,0,0,0|2,0,0]=3 2087 B8R0.19 COC(=O)CC(F)CN Amb28400247 [0,1,0,0,0,0|2,0,0]=3 2088 B8R0.19 COC(=O)CC(N)CN Amb22264781 [0,1,0,0,0,0|2,0,0]=3 2089 B8R0.19 COC(=O)CC(O)CCl Amb20241285 [0,1,0,0,0,0|2,0,0]=3 2090 B8R0.19 COC(=O)CC(O)CF Amb26920791 [0,1,0,0,0,0|2,0,0]=3 2091 B8R0.19 COC(=O)CC(O)CN Amb25146166 [0,1,0,0,0,0|2,0,0]=3 2092 B8R0.19 COC(=O)CC(O)CN Amb32668884 [0,1,0,0,0,0|2,0,0]=3 2093 B8R0.19 COC(=O)CC(O)CO Amb6600485 [0,1,0,0,0,0|2,0,0]=3 2094 B8R0.19 COC(=O)CC([NH3+])C[NH3+] Amb24112943 [0,1,0,0,0,0|2,0,0]=3 2095 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [0,1,0,0,0,0|2,0,1]=4 2096 B8R0.19 COC(=O)CN(C)N=O Amb17618624 [0,1,0,0,0,0|3,0,0]=4 2097 B8R0.19 COC(=O)C[C@@H](C)C=O Amb27863686 [0,1,0,0,0,0|1,0,1]=3 2098 B8R0.19 COC(=O)C[C@@H](C)CN Amb27216066 [0,1,0,0,0,0|1,0,0]=2 2099 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [0,1,0,0,0,0|1,0,0]=2 2100 B8R0.19 COC(=O)C[C@@H](O)CBr Amb23437907 [0,1,0,0,0,0|2,0,0]=3 2101 B8R0.19 COC(=O)C[C@@H](O)CCl Amb8394990 [0,1,0,0,0,0|2,0,0]=3 2102 B8R0.19 COC(=O)C[C@@H](O)CF Amb33358243 [0,1,0,0,0,0|2,0,0]=3 2103 B8R0.19 COC(=O)C[C@@H](O)CN Amb24113025 [0,1,0,0,0,0|2,0,0]=3 2104 B8R0.19 COC(=O)C[C@@H](O)CN Amb33330793 [0,1,0,0,0,0|2,0,0]=3 2105 B8R0.19 COC(=O)C[C@H](C)C=O Amb28366984 [0,1,0,0,0,0|1,0,1]=3 2106 B8R0.19 COC(=O)C[C@H](C)CN Amb27202560 [0,1,0,0,0,0|1,0,0]=2 2107 B8R0.19 COC(=O)C[C@H](C)CO Amb27831499 [0,1,0,0,0,0|1,0,0]=2 2108 B8R0.19 COC(=O)C[C@H](O)CBr Amb8384043 [0,1,0,0,0,0|2,0,0]=3 2109 B8R0.19 COC(=O)C[C@H](O)CCl Amb2695337 [0,1,0,0,0,0|2,0,0]=3 2110 B8R0.19 COC(=O)C[C@H](O)CF Amb33358247 [0,1,0,0,0,0|2,0,0]=3 2111 B8R0.19 COC(=O)C[C@H](O)CN Amb26604358 [0,1,0,0,0,0|2,0,0]=3 2112 B8R0.19 COC(=O)C[C@H](O)CN Amb33331047 [0,1,0,0,0,0|2,0,0]=3 2113 B8R0.19 COC(=O)C[C@H](O)CO Amb13883661 [0,1,0,0,0,0|2,0,0]=3 2114 B8R0.19 COC(=O)NC(C)CN Amb18251139 [0,1,0,0,0,0|2,0,0]=3 2115 B8R0.19 COC(=O)NC(C)OC Amb27640252 [0,1,0,0,0,0|2,0,0]=3 2116 B8R0.19 COC(=O)N[C@@H](C)CN Amb28071139 [0,1,0,0,0,0|2,0,0]=3 2117 B8R0.19 COC(=O)N[C@@H](C)CO Amb27238443 [0,1,0,0,0,0|2,0,0]=3 2118 B8R0.19 COC(=O)N[C@H](C)CN Amb27794832 [0,1,0,0,0,0|2,0,0]=3 2119 B8R0.19 COC(=O)OC(C)CBr Amb28348252 [0,1,0,0,0,0|2,0,0]=3 2120 B8R0.19 COC(=O)OC(C)CO Amb28315454 [0,1,0,0,0,0|2,0,0]=3 2121 B8R0.19 COC(=O)O[C@H](C)CO Amb27981874 [0,1,0,0,0,0|2,0,0]=3 2122 B8R0.19 COC(=O)\C=C(/C)CBr Amb32644500 [0,1,0,0,0,0|1,0,2]=4 2123 B8R0.19 COC(=O)\C=C(/C)CCl Amb27202979 [0,1,0,0,0,0|1,0,2]=4 2124 B8R0.19 COC(=O)\C=C(/C)OC Amb21927982 [0,1,0,0,0,0|1,0,2]=4 2125 B8R0.19 COC(=O)\C=C(\C)CO Amb27827476 [0,1,0,0,0,0|1,0,2]=4 2126 B8R0.19 COC(C)CC(C)CBr Amb27768679 [0,1,0,0,0,0|2,0,1]=4 2127 B8R0.19 COC(C)CC(C)CCl Amb28202426 [0,1,0,0,0,0|2,0,1]=4 2128 B8R0.19 COC(C)CC(N)CO Amb28365968 [0,1,0,0,0,0|2,0,1]=4 2129 B8R0.19 COC(C)CN(C)C=O Amb27248190 [0,1,0,0,0,0|3,0,0]=4 2130 B8R0.19 COC(C)CN(C)OC Amb27599198 [0,1,0,0,0,0|3,0,0]=4 2131 B8R0.19 COC(C)C\C(N)=N\N Amb27832830 [0,1,0,0,0,0|3,0,0]=4 2132 B8R0.19 COC(C)C\C(N)=N\O Amb25116224 [0,1,0,0,0,0|2,0,0]=3 2133 B8R0.19 COC(C)\C=C(\C)C=O Amb27243685 [0,1,0,0,0,0|2,0,1]=4 2134 B8R0.19 CON(C)CC(C)CBr Amb28125582 [0,1,0,0,0,0|3,0,0]=4 2135 B8R0.19 CON(C)CC(C)CN Amb28065787 [0,1,0,0,0,0|3,0,0]=4 2136 B8R0.19 CON(C)CC(C)CO Amb27837589 [0,1,0,0,0,0|3,0,0]=4 2137 B8R0.19 CSC(C)CC(=O)NN Amb27837504 [0,1,0,0,0,0|2,0,0]=3 2138 B8R0.19 CSC(C)CC(O)CN Amb27838548 [0,1,0,0,0,0|2,0,1]=4 2139 B8R0.19 CSC(C)C\C(N)=N\O Amb27236765 [0,1,0,0,0,0|2,0,0]=3 2140 B8R0.19 C[C@@H](CO)NC(=O)CCl Amb22831873 [0,1,0,0,0,0|3,0,0]=4 2141 B8R0.19 C[C@H](C=O)C[C@@H](C)CO Amb27844405 [0,1,0,0,0,0|2,0,1]=4 2142 B8R0.19 C[C@H](CN)NC(=O)CN Amb27771512 [0,1,0,0,0,0|3,0,0]=4 2143 B8R0.19 C[C@H](CO)C[C@@H](C)CO Amb25266477 [0,1,0,0,0,0|2,0,1]=4 2144 B8R0.19 C[C@H](CO)C[C@H](C)CO Amb27852844 [0,1,0,0,0,0|2,0,1]=4 2145 B8R0.19 C[C@H](CO)NC(=O)CBr Amb27768828 [0,1,0,0,0,0|3,0,0]=4 2146 B8R0.19 C[C@H](CO)NC(=O)CN Amb28369296 [0,1,0,0,0,0|3,0,0]=4 2147 B8R0.19 C\C(C=O)=C\C(C)CO Amb28410987 [0,1,0,0,0,0|2,0,1]=4 2148 B8R0.19 C\C(CO)=N/C(C)CO Amb27867215 [0,1,0,0,0,0|3,0,0]=4 2149 B8R0.19 C\C=C(/C)CC(O)CC Amb27252008 [0,1,0,0,0,0|3,0,0]=4 2150 B8R0.19 C\N=C(/C)CC(=O)OC Amb25888830 [0,1,0,0,0,0|1,0,1]=3 2151 B8R0.19 NNC(=O)CC(O)CCl Amb19942496 [0,1,0,0,0,0|3,0,0]=4 2152 B8R0.19 O=C(CO)CC(O)CO Amb26067178 [0,1,0,0,0,0|2,0,0]=3 2153 B8R0.19 O=CC(=O)CC(O)CO Amb28202610 [0,1,0,0,0,0|2,0,1]=4 2154 B8R0.19 O=CC(=O)C[C@@H](O)CO Amb27873015 [0,1,0,0,0,0|2,0,1]=4 2155 B8R0.19 O=CC(O)CC(=O)CO Amb28144194 [0,1,0,0,0,0|2,0,1]=4 2156 B8R0.19 O=CC(O)CC(O)CO Amb22731319 [0,1,0,0,0,0|2,0,1]=4 2157 B8R0.19 O=C[C@@H](O)C[C@@H](O)CO Amb27394636 [0,1,0,0,0,0|2,0,1]=4 2158 B8R0.19 O=C[C@@H](O)C[C@H](O)CO Amb28388612 [0,1,0,0,0,0|2,0,1]=4 2159 B8R0.19 O=C[C@H](O)CC(=O)CO Amb28121885 [0,1,0,0,0,0|2,0,1]=4 2160 B8R0.19 [C-]#[N+]C(C)CC(=O)OC Amb2688934 [0,1,0,0,0,0|1,0,1]=3 2161 B8R0.19 [C-]#[N+]C(C)CC(C)CC Amb33733583 [0,1,0,0,0,0|2,0,1]=4 2162 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [0,1,0,0,0,0|2,0,1]=4 2163 B8R0.23 C=C(Br)CC(O)C(C)C Amb27197177 [0,1,0,0,0,0|3,0,0]=4 2164 B8R0.23 C=C(Br)CN(C)C(C)C Amb27636090 [0,1,0,0,0,0|3,0,0]=4 2165 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [0,1,0,0,0,0|1,0,2]=4 2166 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,1,0,0,0,0|0,0,1]=2 2167 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,1,0,0,0,0|1,0,1]=3 2168 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [0,1,0,0,0,0|1,0,1]=3 2169 B8R0.23 C=C(C)C(N)CC(N)=O Amb24401112 [0,1,0,0,0,0|2,0,1]=4 2170 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [0,1,0,0,0,0|1,0,1]=3 2171 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,1,0,0,0,0|2,0,1]=4 2172 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,1,0,0,0,0|2,0,1]=4 2173 B8R0.23 C=C(C)CC(C)C(C)Cl Amb27816011 [0,1,0,0,0,0|2,0,0]=3 2174 B8R0.23 C=C(C)CC(C)C(C)O Amb28063256 [0,1,0,0,0,0|2,0,0]=3 2175 B8R0.23 C=C(C)CC(N)C(C)C Amb27595590 [0,1,0,0,0,0|3,0,0]=4 2176 B8R0.23 C=C(C)CC(O)C(C)Br Amb27212973 [0,1,0,0,0,0|3,0,0]=4 2177 B8R0.23 C=C(C)CC(O)C(C)C Amb22228361 [0,1,0,0,0,0|3,0,0]=4 2178 B8R0.23 C=C(C)CC(O)C(C)N Amb35588698 [0,1,0,0,0,0|3,0,0]=4 2179 B8R0.23 C=C(C)CC(O)[C@@H](C)N Amb35624113 [0,1,0,0,0,0|3,0,0]=4 2180 B8R0.23 C=C(C)CC(O)[C@H](C)N Amb35737769 [0,1,0,0,0,0|3,0,0]=4 2181 B8R0.23 C=C(C)C[C@@H](C)[C@H](C)N Amb28074299 [0,1,0,0,0,0|2,0,0]=3 2182 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [0,1,0,0,0,0|1,0,1]=3 2183 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,1,0,0,0,0|2,0,1]=4 2184 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,1,0,0,0,0|0,0,1]=2 2185 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [0,1,0,0,0,0|1,0,1]=3 2186 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,1,0,0,0,0|2,0,1]=4 2187 B8R0.23 C=C(C)\C(C)=C\C(=O)O Amb17593311 [0,1,0,0,0,0|0,0,3]=4 2188 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [0,1,0,0,0,0|0,0,3]=4 2189 B8R0.23 C=C(Cl)CC(C)C(C)O Amb33212811 [0,1,0,0,0,0|2,0,0]=3 2190 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [0,1,0,0,0,0|3,0,0]=4 2191 B8R0.23 CC(=N)NC(C)C(C)C Amb27837452 [0,1,0,0,0,0|3,0,0]=4 2192 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [0,1,0,0,0,0|1,0,2]=4 2193 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,1,0,0,0,0|1,0,1]=3 2194 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,1,0,0,0,0|0,0,1]=2 2195 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,1,0,0,0,0|2,0,1]=4 2196 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,1,0,0,0,0|2,0,1]=4 2197 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,1,0,0,0,0|1,0,1]=3 2198 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,1,0,0,0,0|2,0,1]=4 2199 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,1,0,0,0,0|1,0,1]=3 2200 B8R0.23 CC(=O)CC(=O)C(C)C Amb17778966 [0,1,0,0,0,0|2,0,1]=4 2201 B8R0.23 CC(=O)CC(Br)C(C)C Amb28436887 [0,1,0,0,0,0|2,0,0]=3 2202 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,1,0,0,0,0|2,0,1]=4 2203 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,1,0,0,0,0|1,0,1]=3 2204 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,1,0,0,0,0|3,0,0]=4 2205 B8R0.23 CC(=O)CC(N)C(C)C Amb27409984 [0,1,0,0,0,0|2,0,0]=3 2206 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,1,0,0,0,0|2,0,1]=4 2207 B8R0.23 CC(=O)CN(C)C(C)C Amb22587141 [0,1,0,0,0,0|2,0,0]=3 2208 B8R0.23 CC(=O)CS(=O)C(C)C Amb27804515 [0,1,0,0,0,0|3,0,0]=4 2209 B8R0.23 CC(=O)C[C@@H](O)C(C)C Amb25135567 [0,1,0,0,0,0|2,0,0]=3 2210 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,1,0,0,0,0|2,0,1]=4 2211 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,1,0,0,0,0|1,0,1]=3 2212 B8R0.23 CC(=O)C[C@H](C)C(C)C Amb28285288 [0,1,0,0,0,0|1,0,0]=2 2213 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,1,0,0,0,0|1,0,1]=3 2214 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,1,0,0,0,0|2,0,1]=4 2215 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [0,1,0,0,0,0|2,0,1]=4 2216 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,1,0,0,0,0|2,0,1]=4 2217 B8R0.23 CC(=O)NC(C)C(F)F Amb27634551 [0,1,0,0,0,0|3,0,0]=4 2218 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,1,0,0,0,0|2,0,1]=4 2219 B8R0.23 CC(=O)OC(C)C(C)O Amb28366888 [0,1,0,0,0,0|2,0,0]=3 2220 B8R0.23 CC(=O)OC(C)C(F)F Amb28454721 [0,1,0,0,0,0|3,0,0]=4 2221 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,1,0,0,0,0|2,0,1]=4 2222 B8R0.23 CC(=O)O[C@@H](C)[C@@H](C)Br Amb24558149 [0,1,0,0,0,0|2,0,0]=3 2223 B8R0.23 CC(=O)O[C@@H](C)[C@H](C)O Amb28321279 [0,1,0,0,0,0|2,0,0]=3 2224 B8R0.23 CC(=O)O[C@H](C)C(C)O Amb27192959 [0,1,0,0,0,0|2,0,0]=3 2225 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,1,0,0,0,0|2,0,1]=4 2226 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,1,0,0,0,0|1,0,1]=3 2227 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,1,0,0,0,0|0,0,1]=2 2228 B8R0.23 CC(=O)\C(C)=C\C(=O)O Amb27838567 [0,1,0,0,0,0|0,0,3]=4 2229 B8R0.23 CC(=O)\C=C(/C)C(C)C Amb27649040 [0,1,0,0,0,0|1,0,2]=4 2230 B8R0.23 CC(Br)C(C)NC(N)=O Amb27233701 [0,1,0,0,0,0|2,0,0]=3 2231 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [0,1,0,0,0,0|0,0,2]=3 2232 B8R0.23 CC(C)=CC(C)C(C)O Amb27956545 [0,1,0,0,0,0|2,0,1]=4 2233 B8R0.23 CC(C)=C[C@@H](C)[C@H](C)O Amb28049133 [0,1,0,0,0,0|2,0,1]=4 2234 B8R0.23 CC(C)C(C)C=C(Br)Br Amb27837696 [0,1,0,0,0,0|2,0,1]=4 2235 B8R0.23 CC(C)C(C)CB(O)O Amb28138502 [0,1,0,0,0,0|1,0,1]=3 2236 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [0,1,0,0,0,0|0,0,0]=1 2237 B8R0.23 CC(C)C(C)CC(N)=O Amb25146130 [0,1,0,0,0,0|1,0,0]=2 2238 B8R0.23 CC(C)C(C)CN(C)N Amb28056669 [0,1,0,0,0,0|3,0,0]=4 2239 B8R0.23 CC(C)C(C)NC(=O)Cl Amb35637133 [0,1,0,0,0,0|2,0,0]=3 2240 B8R0.23 CC(C)C(C)NC(N)=O Amb7761978 [0,1,0,0,0,0|2,0,0]=3 2241 B8R0.23 CC(C)C(C)OC(=O)Cl Amb27835399 [0,1,0,0,0,0|2,0,0]=3 2242 B8R0.23 CC(C)C(C)SC(=N)N Amb27830196 [0,1,0,0,0,0|3,0,0]=4 2243 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [0,1,0,0,0,0|1,0,0]=2 2244 B8R0.23 CC(C)C(Cl)OC(=O)Cl Amb8515447 [0,1,0,0,0,0|3,0,0]=4 2245 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [0,1,0,0,0,0|1,0,0]=2 2246 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [0,1,0,0,0,0|1,0,0]=2 2247 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [0,1,0,0,0,0|2,0,0]=3 2248 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [0,1,0,0,0,0|1,0,0]=2 2249 B8R0.23 CC(C)CC(C)C(C)Br Amb18330279 [0,1,0,0,0,0|2,0,1]=4 2250 B8R0.23 CC(C)CC(C)C(C)C Amb22729265 [0,1,0,0,0,0|2,0,1]=4 2251 B8R0.23 CC(C)CC(C)C(C)N Amb18289569 [0,1,0,0,0,0|2,0,1]=4 2252 B8R0.23 CC(C)CC(C)C(C)O Amb27620814 [0,1,0,0,0,0|2,0,1]=4 2253 B8R0.23 CC(C)CC(C)[C@@H](C)N Amb33738428 [0,1,0,0,0,0|2,0,1]=4 2254 B8R0.23 CC(C)CC(C)[C@H](C)N Amb33745256 [0,1,0,0,0,0|2,0,1]=4 2255 B8R0.23 CC(C)N(C)CC(=O)O Amb10609863 [0,1,0,0,0,0|1,0,0]=2 2256 B8R0.23 CC(C)N(C)CC(=O)O Amb6639901 [0,1,0,0,0,0|1,0,0]=2 2257 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [0,1,0,0,0,0|0,0,0]=1 2258 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [0,1,0,0,0,0|1,0,0]=2 2259 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [0,1,0,0,0,0|1,0,0]=2 2260 B8R0.23 CC(C)[C@@H](N)CC(N)=O Amb28340737 [0,1,0,0,0,0|2,0,0]=3 2261 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [0,1,0,0,0,0|1,0,0]=2 2262 B8R0.23 CC(C)[C@@H](O)CC(N)=O Amb27443470 [0,1,0,0,0,0|2,0,0]=3 2263 B8R0.23 CC(C)[C@H](C)CB(O)O Amb27169740 [0,1,0,0,0,0|1,0,1]=3 2264 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [0,1,0,0,0,0|1,0,0]=2 2265 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [0,1,0,0,0,0|1,0,0]=2 2266 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [0,1,0,0,0,0|2,0,0]=3 2267 B8R0.23 CC(C)[C@H](N)C[C@H](C)O Amb27457995 [0,1,0,0,0,0|2,0,1]=4 2268 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [0,1,0,0,0,0|1,0,0]=2 2269 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,1,0,0,0,0|2,0,1]=4 2270 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,1,0,0,0,0|1,0,1]=3 2271 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [0,1,0,0,0,0|1,0,0]=2 2272 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,1,0,0,0,0|1,0,1]=3 2273 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [0,1,0,0,0,0|1,0,0]=2 2274 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [0,1,0,0,0,0|1,0,0]=2 2275 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [0,1,0,0,0,0|1,0,0]=2 2276 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [0,1,0,0,0,0|1,0,0]=2 2277 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,1,0,0,0,0|2,0,1]=4 2278 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,1,0,0,0,0|2,0,1]=4 2279 B8R0.23 CC(CC(N)=O)N(C)C Amb17231867 [0,1,0,0,0,0|2,0,0]=3 2280 B8R0.23 CC(CC(N)=S)N(C)C Amb17232023 [0,1,0,0,0,0|2,1,0]=4 2281 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [0,1,0,0,0,0|2,0,1]=4 2282 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [0,1,0,0,0,0|2,0,1]=4 2283 B8R0.23 CC(Cl)C(C)OC(=O)Cl Amb27831442 [0,1,0,0,0,0|2,0,0]=3 2284 B8R0.23 CC(N)C(C)CN(C)C Amb18642823 [0,1,0,0,0,0|3,0,0]=4 2285 B8R0.23 CC(N)C(C)NC(N)=O Amb27427383 [0,1,0,0,0,0|2,0,0]=3 2286 B8R0.23 CC(N)C(C)NS(C)=O Amb28200810 [0,1,0,0,0,0|3,0,0]=4 2287 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [0,1,0,0,0,0|1,0,0]=2 2288 B8R0.23 CC(N)C(O)CC(N)=O Amb28184577 [0,1,0,0,0,0|2,0,0]=3 2289 B8R0.23 CC(N)C(O)C[PH](=O)O Amb28130506 [0,1,0,0,0,0|2,0,0]=3 2290 B8R0.23 CC(N)CC(C)C(C)C Amb28057003 [0,1,0,0,0,0|2,0,1]=4 2291 B8R0.23 CC(N)[C@@H](O)C[PH](=O)O Amb27841881 [0,1,0,0,0,0|2,0,0]=3 2292 B8R0.23 CC(NC(=O)Cl)C(F)F Amb35633334 [0,1,0,0,0,0|3,0,0]=4 2293 B8R0.23 CC(NC(N)=O)C(F)F Amb27266315 [0,1,0,0,0,0|3,0,0]=4 2294 B8R0.23 CC(O)C(C)CC(F)F Amb27805536 [0,1,0,0,0,0|2,0,1]=4 2295 B8R0.23 CC(O)C(C)C[SiH](C)C Amb27601186 [0,1,0,0,0,0|2,1,0]=4 2296 B8R0.23 CC(O)C(C)NC(N)=O Amb27254184 [0,1,0,0,0,0|2,0,0]=3 2297 B8R0.23 CC(O)C(C)OC(N)=O Amb27644455 [0,1,0,0,0,0|2,0,0]=3 2298 B8R0.23 CC(O)C(C)OP(O)O Amb28049277 [0,1,0,0,0,0|2,0,1]=4 2299 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [0,1,0,0,0,0|1,0,0]=2 2300 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [0,1,0,0,0,0|2,0,0]=3 2301 B8R0.23 CC(O)CC(C)C(C)C Amb28059818 [0,1,0,0,0,0|1,0,1]=3 2302 B8R0.23 CC(O)CC(C)N(C)C Amb27258208 [0,1,0,0,0,0|2,0,1]=4 2303 B8R0.23 CC(O)CC(N)C(C)C Amb27956567 [0,1,0,0,0,0|2,0,1]=4 2304 B8R0.23 CC(O)CC(O)C(C)C Amb535791 [0,1,0,0,0,0|2,0,1]=4 2305 B8R0.23 CC(O)CC(S)C(C)C Amb28049086 [0,1,0,0,0,0|2,0,1]=4 2306 B8R0.23 CC(O)CN(C)C(C)C Amb17334133 [0,1,0,0,0,0|2,0,1]=4 2307 B8R0.23 CN(C)C(=O)CC(=O)O Amb17399822 [0,1,0,0,0,0|2,0,1]=4 2308 B8R0.23 CN(CC(=O)O)C(=N)N Amb22167307 [0,1,0,0,0,0|2,0,1]=4 2309 B8R0.23 CN(CC(=O)O)C(=N)N Amb3940365 [0,1,0,0,0,0|2,0,1]=4 2310 B8R0.23 CN(CC(=O)O)C(=N)N Amb5638543 [0,1,0,0,0,0|2,0,1]=4 2311 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [0,1,0,0,0,0|2,0,1]=4 2312 B8R0.23 CN(CC(=O)O)C(=S)S Amb1042470 [0,1,0,0,0,0|2,0,1]=4 2313 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [0,1,0,0,0,0|2,0,1]=4 2314 B8R0.23 CN(CC(=O)O)S(C)=O Amb27862060 [0,1,0,0,0,0|2,0,0]=3 2315 B8R0.23 CN(CC(=O)O)[N+](=O)[O-] Amb27154042 [0,1,0,0,0,0|3,0,0]=4 2316 B8R0.23 CN(N)C(=O)CC(=O)O Amb25326354 [0,1,0,0,0,0|2,0,1]=4 2317 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,1,0,0,0,0|1,0,1]=3 2318 B8R0.23 C[C@@H](N)C(=O)CC(N)=O Amb28188661 [0,1,0,0,0,0|2,0,1]=4 2319 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [0,1,0,0,0,0|1,0,0]=2 2320 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,1,0,0,0,0|1,0,1]=3 2321 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [0,1,0,0,0,0|1,0,0]=2 2322 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,1,0,0,0,0|1,0,1]=3 2323 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,1,0,0,0,0|1,0,0]=2 2324 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [0,1,0,0,0,0|1,0,0]=2 2325 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [0,1,0,0,0,0|1,0,0]=2 2326 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [0,1,0,0,0,0|1,0,0]=2 2327 B8R0.23 C[C@H](OC(N)=O)[C@@H](C)Cl Amb27875080 [0,1,0,0,0,0|2,0,0]=3 2328 B8R0.23 C\C(=C/C(=O)O)C(C)C Amb17506861 [0,1,0,0,0,0|0,0,2]=3 2329 B8R0.23 C\C(=C/C(=O)O)C(F)F Amb33620436 [0,1,0,0,0,0|1,0,2]=4 2330 B8R0.23 C\C(=C/C(N)=O)C(C)C Amb27468615 [0,1,0,0,0,0|1,0,2]=4 2331 B8R0.23 C\C(N)=[N+](\C)CC(=O)[O-] Amb25339595 [0,1,0,0,0,0|1,0,2]=4 2332 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [0,1,0,0,0,0|2,0,1]=4 2333 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [0,1,0,0,0,0|2,0,1]=4 2334 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [0,1,0,0,0,0|2,0,1]=4 2335 B8R0.23 NC(=O)CC(N)C(F)F Amb32418214 [0,1,0,0,0,0|3,0,0]=4 2336 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [0,1,0,0,0,0|2,0,1]=4 2337 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [0,1,0,0,0,0|2,0,1]=4 2338 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [0,1,0,0,0,0|2,0,1]=4 2339 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [0,1,0,0,0,0|2,0,1]=4 2340 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [0,1,0,0,0,0|2,0,1]=4 2341 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [0,1,0,0,0,0|2,0,1]=4 2342 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [0,1,0,0,0,0|2,0,1]=4 2343 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [0,1,0,0,0,0|2,0,0]=3 2344 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [0,1,0,0,0,0|2,0,0]=3 2345 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [0,1,0,0,0,0|2,0,1]=4 2346 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [0,1,0,0,0,0|2,0,1]=4 2347 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [0,1,0,0,0,0|2,0,1]=4 2348 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [0,1,0,0,0,0|2,0,1]=4 2349 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [0,1,0,0,0,0|2,0,1]=4 2350 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [0,1,0,0,0,0|2,0,1]=4 2351 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [0,1,0,0,0,0|2,0,1]=4 2352 B8R0.23 O=C(O)CC(O)C(Cl)Cl Amb27985520 [0,1,0,0,0,0|2,0,0]=3 2353 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [0,1,0,0,0,0|2,0,1]=4 2354 B8R0.23 O=C(O)CS(=O)C(F)F Amb18979309 [0,1,0,0,0,0|3,0,0]=4 2355 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [0,1,0,0,0,0|2,0,1]=4 2356 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [0,1,0,0,0,0|2,0,1]=4 2357 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [0,1,0,0,0,0|2,0,1]=4 2358 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [0,1,0,0,0,0|2,0,1]=4 2359 B8R0.23 O=C(O)C[C@@H](O)C(F)F Amb33337779 [0,1,0,0,0,0|2,0,0]=3 2360 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [0,1,0,0,0,0|2,0,1]=4 2361 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [0,1,0,0,0,0|2,0,1]=4 2362 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [0,1,0,0,0,0|2,0,1]=4 2363 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [0,1,0,0,0,0|2,0,1]=4 2364 B8R0.23 O=C(O)C[C@H](O)C(F)F Amb33485299 [0,1,0,0,0,0|2,0,0]=3 2365 B8R0.24 CC(CBr)CS(C)(=O)=O Amb25142899 [0,1,0,0,0,0|2,0,1]=4 2366 B8R0.24 CC(CCl)CS(=O)(=O)Cl Amb20623341 [0,1,0,0,0,0|2,0,1]=4 2367 B8R0.24 CC(CCl)CS(=O)(=O)F Amb32717040 [0,1,0,0,0,0|2,0,1]=4 2368 B8R0.24 CC(CCl)CS(C)(=O)=O Amb20668805 [0,1,0,0,0,0|2,0,1]=4 2369 B8R0.24 CC(CCl)CS(N)(=O)=O Amb26336041 [0,1,0,0,0,0|2,0,1]=4 2370 B8R0.24 CC(CN)CC(C)(C)O Amb27248537 [0,1,0,0,0,0|2,0,1]=4 2371 B8R0.24 CC(CN)CS(C)(=O)=O Amb18908423 [0,1,0,0,0,0|2,0,1]=4 2372 B8R0.24 CC(CN)OS(=O)(=O)O Amb27154843 [0,1,0,0,0,0|3,0,0]=4 2373 B8R0.24 CC(CO)OP(=O)(O)O Amb25121032 [0,1,0,0,0,0|3,0,0]=4 2374 B8R0.24 CCC(=O)CS(=O)(=O)O Amb27762508 [0,1,0,0,0,0|2,0,1]=4 2375 B8R0.24 CCC(C)CC(C)(C)N Amb18523796 [0,1,0,0,0,0|2,0,1]=4 2376 B8R0.24 CCC(C)CC(C)(C)O Amb25045207 [0,1,0,0,0,0|1,0,1]=3 2377 B8R0.24 CCC(C)CS(=O)(=O)Cl Amb33539922 [0,1,0,0,0,0|1,0,1]=3 2378 B8R0.24 CCC(C)CS(=O)(=O)F Amb19373796 [0,1,0,0,0,0|1,0,1]=3 2379 B8R0.24 CCC(C)CS(C)(=N)=O Amb32671075 [0,1,0,0,0,0|2,0,0]=3 2380 B8R0.24 CCC(C)CS(N)(=O)=O Amb18180195 [0,1,0,0,0,0|1,0,1]=3 2381 B8R0.24 CCC(C)C[Si](C)(C)Cl Amb24554875 [0,1,0,0,0,0|2,1,0]=4 2382 B8R0.24 CCC(C)NS(=O)(=O)Cl Amb17193919 [0,1,0,0,0,0|2,0,1]=4 2383 B8R0.24 CCC(C)NS(C)(=N)=O Amb29851537 [0,1,0,0,0,0|3,0,0]=4 2384 B8R0.24 CCC(C)OP(=O)(O)O Amb27202561 [0,1,0,0,0,0|2,0,0]=3 2385 B8R0.24 CCC(C)OS(C)(=O)=O Amb22008739 [0,1,0,0,0,0|2,0,1]=4 2386 B8R0.24 CCC(C)OS(N)(=O)=O Amb33054746 [0,1,0,0,0,0|2,0,1]=4 2387 B8R0.24 CCC(Cl)OS(=O)(=O)O Amb27984818 [0,1,0,0,0,0|3,0,0]=4 2388 B8R0.24 CCC(F)CS(=O)(=O)Cl Amb27842253 [0,1,0,0,0,0|2,0,1]=4 2389 B8R0.24 CCC(N)CC(C)(C)O Amb35592881 [0,1,0,0,0,0|2,0,1]=4 2390 B8R0.24 CCC(N)CP(=O)(O)O Amb27407104 [0,1,0,0,0,0|2,0,0]=3 2391 B8R0.24 CCC(N)CS(=O)(=O)F Amb33463755 [0,1,0,0,0,0|2,0,1]=4 2392 B8R0.24 CCC(N)CS(=O)(=O)O Amb27454945 [0,1,0,0,0,0|2,0,0]=3 2393 B8R0.24 CCC(N)CS(C)(=O)=O Amb17485988 [0,1,0,0,0,0|2,0,1]=4 2394 B8R0.24 CCC(N)CS(C)(=O)=O Amb31156558 [0,1,0,0,0,0|2,0,1]=4 2395 B8R0.24 CCN(C)CC(C)(C)O Amb27602404 [0,1,0,0,0,0|2,0,1]=4 2396 B8R0.24 CC[C@@H](C)OS(C)(=O)=O Amb24763137 [0,1,0,0,0,0|2,0,1]=4 2397 B8R0.24 CC[C@H](C)OS(C)(=O)=O Amb28043087 [0,1,0,0,0,0|2,0,1]=4 2398 B8R0.24 CNC(C)CC(C)(C)O Amb28364085 [0,1,0,0,0,0|2,0,1]=4 2399 B8R0.24 CNC(C)CS(=O)(=O)F Amb33463900 [0,1,0,0,0,0|2,0,1]=4 2400 B8R0.24 CNC(C)CS(C)(=O)=O Amb18300683 [0,1,0,0,0,0|2,0,1]=4 2401 B8R0.24 COC(C)CS(=O)(=O)Cl Amb25992178 [0,1,0,0,0,0|2,0,1]=4 2402 B8R0.24 COC(C)CS(=O)(=O)F Amb24532153 [0,1,0,0,0,0|2,0,1]=4 2403 B8R0.24 COC(C)CS(N)(=O)=O Amb24481677 [0,1,0,0,0,0|2,0,1]=4 2404 B8R0.24 CP(=O)(O)C[C@H](O)CN Amb27247309 [0,1,0,0,0,0|3,0,0]=4 2405 B8R0.24 C[C@@H](CCl)CS(=O)(=O)Cl Amb27179607 [0,1,0,0,0,0|2,0,1]=4 2406 B8R0.24 C[C@@H](CCl)CS(N)(=O)=O Amb27401857 [0,1,0,0,0,0|2,0,1]=4 2407 B8R0.24 C[C@@H](CO)OP(=O)(O)O Amb27956601 [0,1,0,0,0,0|3,0,0]=4 2408 B8R0.24 C[C@H](CO)CS(N)(=O)=O Amb28294260 [0,1,0,0,0,0|2,0,1]=4 2409 B8R0.24 N[C@@H](CO)CS(=O)(=O)O Amb28118562 [0,1,0,0,0,0|3,0,0]=4 2410 B8R0.24 O=P(O)(O)CC(O)CCl Amb3354883 [0,1,0,0,0,0|3,0,0]=4 2411 B8R0.24 O=S(=O)(O)CC(O)CO Amb25802047 [0,1,0,0,0,0|3,0,0]=4 2412 B8R0.24 O=S(=O)(O)CC(O)CS Amb17594311 [0,1,0,0,0,0|3,0,0]=4 2413 B8R0.34 C#CC(C)(O)CC(C)=O Amb27661825 [0,1,0,0,0,0|1,0,2]=4 2414 B8R0.34 C=C(Br)CC(C)(C)CBr Amb35747677 [0,1,0,0,0,0|3,0,0]=4 2415 B8R0.34 C=C(Br)CC(C)(C)CO Amb33804160 [0,1,0,0,0,0|3,0,0]=4 2416 B8R0.34 C=C(C)CC(C)(C)CBr Amb32688069 [0,1,0,0,0,0|3,0,0]=4 2417 B8R0.34 C=C(C)CC(C)(C)CC Amb22228307 [0,1,0,0,0,0|2,0,0]=3 2418 B8R0.34 C=C(C)CC(C)(C)CCl Amb25727696 [0,1,0,0,0,0|3,0,0]=4 2419 B8R0.34 C=C(C)CC(C)(C)CN Amb25146071 [0,1,0,0,0,0|3,0,0]=4 2420 B8R0.34 C=C(C)CC(C)(C)CO Amb26975318 [0,1,0,0,0,0|3,0,0]=4 2421 B8R0.34 C=C(C)CC(C)(C)NC Amb33199213 [0,1,0,0,0,0|3,0,0]=4 2422 B8R0.34 C=C(C)CC(C)(C)OC Amb27952128 [0,1,0,0,0,0|3,0,0]=4 2423 B8R0.34 C=C(C)CC(C)(N)CC Amb35634476 [0,1,0,0,0,0|2,0,0]=3 2424 B8R0.34 C=C(C)CC(C)(N)CO Amb33199505 [0,1,0,0,0,0|3,0,0]=4 2425 B8R0.34 C=C(C)CC(C)(O)CC Amb4035727 [0,1,0,0,0,0|2,0,0]=3 2426 B8R0.34 C=C(Cl)CC(C)(C)CBr Amb32688077 [0,1,0,0,0,0|3,0,0]=4 2427 B8R0.34 C=C(Cl)CC(C)(C)CCl Amb32688074 [0,1,0,0,0,0|3,0,0]=4 2428 B8R0.34 C=CC(C)(C)CC(=O)O Amb5718701 [0,1,0,0,0,0|0,0,2]=3 2429 B8R0.34 C=CC(C)(C)CC(C)=O Amb27624403 [0,1,0,0,0,0|1,0,2]=4 2430 B8R0.34 C=CC(C)(C)CC(N)=O Amb25680144 [0,1,0,0,0,0|1,0,2]=4 2431 B8R0.34 C=CC(C)(N)CC(=O)O Amb22641965 [0,1,0,0,0,0|0,0,2]=3 2432 B8R0.34 C=CC(C)(N)CC(=O)O Amb31307623 [0,1,0,0,0,0|0,0,2]=3 2433 B8R0.34 C=CC(C)(O)CC(=O)O Amb18642755 [0,1,0,0,0,0|0,0,2]=3 2434 B8R0.34 C=C[Si](C)(C)CC(=O)O Amb28255729 [0,1,0,0,0,0|0,1,2]=4 2435 B8R0.34 CC(=O)CC(C)(C)C#N Amb18642299 [0,1,0,0,0,0|2,0,1]=4 2436 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [0,1,0,0,0,0|2,0,1]=4 2437 B8R0.34 CC(=O)CC(C)(C)CBr Amb27185624 [0,1,0,0,0,0|2,0,0]=3 2438 B8R0.34 CC(=O)CC(C)(C)CO Amb24689736 [0,1,0,0,0,0|2,0,0]=3 2439 B8R0.34 CC(=O)CC(C)(C)N=O Amb17593358 [0,1,0,0,0,0|3,0,0]=4 2440 B8R0.34 CC(=O)CC(C)(Cl)CCl Amb27227718 [0,1,0,0,0,0|2,0,0]=3 2441 B8R0.34 CC(=O)NC(C)(C)CN Amb2606140 [0,1,0,0,0,0|3,0,0]=4 2442 B8R0.34 CC(=O)NC(C)(C)CO Amb9243962 [0,1,0,0,0,0|3,0,0]=4 2443 B8R0.34 CC(=O)NC(C)(C)CS Amb28074132 [0,1,0,0,0,0|3,0,0]=4 2444 B8R0.34 CC(=O)OC(C)(C)CBr Amb24710435 [0,1,0,0,0,0|3,0,0]=4 2445 B8R0.34 CC(=O)OC(C)(C)CN Amb28072952 [0,1,0,0,0,0|3,0,0]=4 2446 B8R0.34 CC(=O)OC(C)(Cl)CCl Amb28286299 [0,1,0,0,0,0|3,0,0]=4 2447 B8R0.34 CC(C)(C#N)CC(=O)O Amb25887307 [0,1,0,0,0,0|1,0,1]=3 2448 B8R0.34 CC(C)(C=O)CC(=O)O Amb28401504 [0,1,0,0,0,0|1,0,1]=3 2449 B8R0.34 CC(C)(CBr)CC(=O)Cl Amb27424627 [0,1,0,0,0,0|2,0,0]=3 2450 B8R0.34 CC(C)(CBr)CC(=O)O Amb24480039 [0,1,0,0,0,0|1,0,0]=2 2451 B8R0.34 CC(C)(CC(=O)O)NO Amb27859691 [0,1,0,0,0,0|2,0,0]=3 2452 B8R0.34 CC(C)(CCl)CS(=O)Cl Amb32720433 [0,1,0,0,0,0|3,0,0]=4 2453 B8R0.34 CC(C)(CCl)CS(=O)[O-] Amb32755383 [0,1,0,0,0,0|2,0,1]=4 2454 B8R0.34 CC(C)(CCl)CS(N)=O Amb32720428 [0,1,0,0,0,0|3,0,0]=4 2455 B8R0.34 CC(C)(CCl)NC(=O)[O-] Amb27823593 [0,1,0,0,0,0|2,0,1]=4 2456 B8R0.34 CC(C)(CF)CC(=O)O Amb26575195 [0,1,0,0,0,0|1,0,0]=2 2457 B8R0.34 CC(C)(CI)CC(=O)Cl Amb33295130 [0,1,0,0,0,0|2,0,0]=3 2458 B8R0.34 CC(C)(CI)CC(=O)O Amb33295131 [0,1,0,0,0,0|1,0,0]=2 2459 B8R0.34 CC(C)(CN)CC(=O)O Amb4245619 [0,1,0,0,0,0|1,0,0]=2 2460 B8R0.34 CC(C)(CN)CC(=O)O Amb578353 [0,1,0,0,0,0|1,0,0]=2 2461 B8R0.34 CC(C)(CN)CC(N)=S Amb27392556 [0,1,0,0,0,0|2,1,0]=4 2462 B8R0.34 CC(C)(CN)NC(N)=O Amb18203177 [0,1,0,0,0,0|3,0,0]=4 2463 B8R0.34 CC(C)(CO)CC(=N)N Amb33202707 [0,1,0,0,0,0|3,0,0]=4 2464 B8R0.34 CC(C)(CO)CC(=O)O Amb24116870 [0,1,0,0,0,0|1,0,0]=2 2465 B8R0.34 CC(C)(CO)CC(=O)[O-] Amb24178915 [0,1,0,0,0,0|1,0,1]=3 2466 B8R0.34 CC(C)(CO)CC(N)=S Amb29870815 [0,1,0,0,0,0|2,1,0]=4 2467 B8R0.34 CC(C)(CO)C[N+](=O)[O-] Amb33197714 [0,1,0,0,0,0|2,0,1]=4 2468 B8R0.34 CC(N)(CCl)CC(=O)O Amb22641961 [0,1,0,0,0,0|1,0,0]=2 2469 B8R0.34 CC(N)(CN)CC(=O)O Amb32787831 [0,1,0,0,0,0|1,0,0]=2 2470 B8R0.34 CC(N)(CN)CC(N)=O Amb32787386 [0,1,0,0,0,0|2,0,0]=3 2471 B8R0.34 CC(N)(CO)CC(=O)O Amb27162086 [0,1,0,0,0,0|1,0,0]=2 2472 B8R0.34 CC(O)(CCl)CC(=O)O Amb27409236 [0,1,0,0,0,0|1,0,0]=2 2473 B8R0.34 CC(O)(CN)CC(=O)O Amb25188898 [0,1,0,0,0,0|1,0,0]=2 2474 B8R0.34 CC(O)(CN)CC(=O)O Amb28935004 [0,1,0,0,0,0|1,0,0]=2 2475 B8R0.34 CC(O)CC(C)(C)CN Amb19148071 [0,1,0,0,0,0|2,0,1]=4 2476 B8R0.34 CC(O)CC(C)(C)CN Amb22059606 [0,1,0,0,0,0|2,0,1]=4 2477 B8R0.34 CC(O)CC(C)(C)CO Amb25145315 [0,1,0,0,0,0|2,0,1]=4 2478 B8R0.34 CC(O)CC(C)(N)CO Amb29850597 [0,1,0,0,0,0|2,0,1]=4 2479 B8R0.34 CC(O)CC(C)(O)CN Amb29850078 [0,1,0,0,0,0|2,0,1]=4 2480 B8R0.34 CCC(C)(C)CC(=N)N Amb33266965 [0,1,0,0,0,0|2,0,0]=3 2481 B8R0.34 CCC(C)(C)CC(=O)Cl Amb25032181 [0,1,0,0,0,0|1,0,0]=2 2482 B8R0.34 CCC(C)(C)CC(=O)O Amb10573669 [0,1,0,0,0,0|0,0,0]=1 2483 B8R0.34 CCC(C)(C)CC(C)=O Amb22388941 [0,1,0,0,0,0|1,0,0]=2 2484 B8R0.34 CCC(C)(C)CC(C)Br Amb28241488 [0,1,0,0,0,0|2,0,1]=4 2485 B8R0.34 CCC(C)(C)CC(C)C Amb22228306 [0,1,0,0,0,0|2,0,1]=4 2486 B8R0.34 CCC(C)(C)CC(C)O Amb25918693 [0,1,0,0,0,0|1,0,1]=3 2487 B8R0.34 CCC(C)(C)CC(N)=O Amb27217075 [0,1,0,0,0,0|1,0,0]=2 2488 B8R0.34 CCC(C)(C)CC(N)=S Amb33266962 [0,1,0,0,0,0|1,1,0]=3 2489 B8R0.34 CCC(C)(C)CN(C)O Amb33267069 [0,1,0,0,0,0|2,0,0]=3 2490 B8R0.34 CCC(C)(C)CS(=O)Cl Amb32720560 [0,1,0,0,0,0|2,0,0]=3 2491 B8R0.34 CCC(C)(C)CS(=O)[O-] Amb32754311 [0,1,0,0,0,0|1,0,1]=3 2492 B8R0.34 CCC(C)(C)CS(N)=O Amb32720561 [0,1,0,0,0,0|2,0,0]=3 2493 B8R0.34 CCC(C)(C)C[C@@H](C)N Amb33223832 [0,1,0,0,0,0|2,0,1]=4 2494 B8R0.34 CCC(C)(C)C[C@@H](C)O Amb33266332 [0,1,0,0,0,0|1,0,1]=3 2495 B8R0.34 CCC(C)(C)C[C@H](C)N Amb33266335 [0,1,0,0,0,0|2,0,1]=4 2496 B8R0.34 CCC(C)(C)C[C@H](C)O Amb33266334 [0,1,0,0,0,0|1,0,1]=3 2497 B8R0.34 CCC(C)(C)C[N+](=O)[O-] Amb24469650 [0,1,0,0,0,0|1,0,1]=3 2498 B8R0.34 CCC(C)(C)NC(=O)Cl Amb35637104 [0,1,0,0,0,0|2,0,0]=3 2499 B8R0.34 CCC(C)(C)NC(C)=O Amb3886546 [0,1,0,0,0,0|2,0,0]=3 2500 B8R0.34 CCC(C)(C)NC(N)=O Amb1139044 [0,1,0,0,0,0|2,0,0]=3 2501 B8R0.34 CCC(C)(C)NC(N)=S Amb9212102 [0,1,0,0,0,0|2,1,0]=4 2502 B8R0.34 CCC(C)(C)OC(=O)Cl Amb27590991 [0,1,0,0,0,0|2,0,0]=3 2503 B8R0.34 CCC(C)(C)OC(C)=O Amb9787139 [0,1,0,0,0,0|2,0,0]=3 2504 B8R0.34 CCC(C)(C)OC(N)=O Amb27878422 [0,1,0,0,0,0|2,0,0]=3 2505 B8R0.34 CCC(C)(F)CC(=O)O Amb27645740 [0,1,0,0,0,0|0,0,0]=1 2506 B8R0.34 CCC(C)(N)CC(=O)O Amb25853863 [0,1,0,0,0,0|0,0,0]=1 2507 B8R0.34 CCC(C)(N)CC(C)O Amb29883689 [0,1,0,0,0,0|1,0,1]=3 2508 B8R0.34 CCC(C)(N)CC(N)=O Amb33254471 [0,1,0,0,0,0|1,0,0]=2 2509 B8R0.34 CCC(C)(N)CN(C)C Amb27236971 [0,1,0,0,0,0|3,0,0]=4 2510 B8R0.34 CCC(C)(O)CC(=O)O Amb18298122 [0,1,0,0,0,0|0,0,0]=1 2511 B8R0.34 CCC(C)(O)CC(C)C Amb4020056 [0,1,0,0,0,0|2,0,1]=4 2512 B8R0.34 CCC(C)(O)CC(C)N Amb35654003 [0,1,0,0,0,0|2,0,1]=4 2513 B8R0.34 CCC(C)(O)CC(C)O Amb27399622 [0,1,0,0,0,0|1,0,1]=3 2514 B8R0.34 CCC(C)(O)CN(C)C Amb27601164 [0,1,0,0,0,0|3,0,0]=4 2515 B8R0.34 CCC(C)(S)CC(C)=O Amb26053261 [0,1,0,0,0,0|1,0,0]=2 2516 B8R0.34 CCC(F)(F)CC(=O)Cl Amb29880872 [0,1,0,0,0,0|2,0,0]=3 2517 B8R0.34 CCC(F)(F)CC(=O)O Amb32666992 [0,1,0,0,0,0|1,0,0]=2 2518 B8R0.34 CCC(F)(F)CC(C)=O Amb30010781 [0,1,0,0,0,0|2,0,0]=3 2519 B8R0.34 CCC(F)(F)CC(N)=O Amb29882358 [0,1,0,0,0,0|2,0,0]=3 2520 B8R0.34 CCC(F)(F)CS(=O)Cl Amb32720931 [0,1,0,0,0,0|3,0,0]=4 2521 B8R0.34 CCC(F)(F)CS(=O)[O-] Amb32755571 [0,1,0,0,0,0|2,0,1]=4 2522 B8R0.34 CCC(F)(F)CS(N)=O Amb32720932 [0,1,0,0,0,0|3,0,0]=4 2523 B8R0.34 CCP(C)(C)=CC(C)=O Amb27838768 [0,1,0,0,0,0|2,0,1]=4 2524 B8R0.34 CCS(=O)(=O)CC(=O)O Amb6277554 [0,1,0,0,0,0|2,0,0]=3 2525 B8R0.34 CCS(=O)(=O)CC(C)=O Amb19515195 [0,1,0,0,0,0|3,0,0]=4 2526 B8R0.34 CCS(=O)(=O)CC(N)=O Amb28325613 [0,1,0,0,0,0|3,0,0]=4 2527 B8R0.34 CC[C@@](C)(N)CC(=O)O Amb25738026 [0,1,0,0,0,0|0,0,0]=1 2528 B8R0.34 CC[Si](C)(C)CC(=O)O Amb28145155 [0,1,0,0,0,0|0,1,0]=2 2529 B8R0.34 CC[Si](C)(C)OC(C)=O Amb27420882 [0,1,0,0,0,0|2,1,0]=4 2530 B8R0.34 CN(O)CC(C)(C)CO Amb33200355 [0,1,0,0,0,0|3,0,0]=4 2531 B8R0.34 CNC(C)(C)CC(C)=O Amb27759912 [0,1,0,0,0,0|2,0,0]=3 2532 B8R0.34 CNC(C)(C)CC(C)O Amb26036929 [0,1,0,0,0,0|2,0,1]=4 2533 B8R0.34 CNC(C)(C)CC(N)=O Amb28077438 [0,1,0,0,0,0|2,0,0]=3 2534 B8R0.34 CNS(=O)(=O)CC(=O)O Amb6741780 [0,1,0,0,0,0|3,0,0]=4 2535 B8R0.34 COC(C)(C)CC(=N)N Amb26493842 [0,1,0,0,0,0|3,0,0]=4 2536 B8R0.34 COC(C)(C)CC(=O)O Amb25887304 [0,1,0,0,0,0|1,0,0]=2 2537 B8R0.34 COC(C)(C)CC(C)=O Amb6893067 [0,1,0,0,0,0|2,0,0]=3 2538 B8R0.34 COC(C)(C)CC(N)=S Amb27645521 [0,1,0,0,0,0|2,1,0]=4 2539 B8R0.34 COC(C)(C)CS(=O)Cl Amb32720459 [0,1,0,0,0,0|3,0,0]=4 2540 B8R0.34 COC(C)(C)CS(=O)[O-] Amb32755124 [0,1,0,0,0,0|2,0,1]=4 2541 B8R0.34 COC(C)(C)CS(N)=O Amb32720460 [0,1,0,0,0,0|3,0,0]=4 2542 B8R0.34 COC(C)(C)C[C@@H](C)O Amb33196296 [0,1,0,0,0,0|2,0,1]=4 2543 B8R0.34 COC(C)(C)C[C@H](C)O Amb33196291 [0,1,0,0,0,0|2,0,1]=4 2544 B8R0.34 COC(C)(N)CC(C)O Amb28145991 [0,1,0,0,0,0|2,0,1]=4 2545 B8R0.34 COC(C)(O)CC(C)=O Amb25873980 [0,1,0,0,0,0|2,0,0]=3 2546 B8R0.34 CS(=O)CC(C)(O)CN Amb27237259 [0,1,0,0,0,0|3,0,0]=4 2547 B8R0.34 C[C@@H](O)CC(C)(C)CO Amb33197725 [0,1,0,0,0,0|2,0,1]=4 2548 B8R0.34 C[C@H](O)CC(C)(C)CO Amb33197726 [0,1,0,0,0,0|2,0,1]=4 2549 B8R0.34 C[C@H](O)C[C@](C)(O)CO Amb27605361 [0,1,0,0,0,0|2,0,1]=4 2550 B8R0.34 C[Si](C)(CCl)CC(=O)O Amb25107199 [0,1,0,0,0,0|1,1,0]=3 2551 B8R0.34 NCC(F)(F)CC(=O)O Amb19148532 [0,1,0,0,0,0|2,0,0]=3 2552 B8R0.34 NCC(F)(F)CC(=O)O Amb32693401 [0,1,0,0,0,0|2,0,0]=3 2553 B8R0.34 O=C(O)CC(F)(F)CBr Amb27592325 [0,1,0,0,0,0|2,0,0]=3 2554 B8R0.34 O=C(O)CC(F)(F)CCl Amb33741692 [0,1,0,0,0,0|2,0,0]=3 2555 B8R0.34 O=C(O)CC(F)(F)CF Amb33402041 [0,1,0,0,0,0|2,0,0]=3 2556 B8R1.1 C#CC1COC(=O)N1 Amb27202758 [0,0,0,1,0,0|1,0,2]=4 2557 B8R1.1 C#C[C@@H]1COC(=O)N1 Amb23401461 [0,0,0,1,0,0|1,0,2]=4 2558 B8R1.1 C#C[C@H]1COC(=O)N1 Amb26513200 [0,0,0,1,0,0|1,0,2]=4 2559 B8R1.1 C=C1CCC(CO)C1 Amb27869714 [0,0,0,1,0,0|3,0,0]=4 2560 B8R1.1 C=C1CC[C@H](CO)C1 Amb28430210 [0,0,0,1,0,0|3,0,0]=4 2561 B8R1.1 C=C1COC(CC)C1 Amb35614622 [0,0,0,1,0,0|3,0,0]=4 2562 B8R1.1 C=CC1CCC(=O)C1 Amb26592031 [0,0,0,1,0,0|1,0,2]=4 2563 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [0,0,0,1,0,0|0,0,2]=3 2564 B8R1.1 C=CC1COC(=O)O1 Amb17942789 [0,0,0,1,0,0|1,0,2]=4 2565 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [0,0,0,1,0,0|0,0,2]=3 2566 B8R1.1 C=C[C@@H]1COC(=O)N1 Amb27461297 [0,0,0,1,0,0|1,0,2]=4 2567 B8R1.1 C=C[C@@H]1COC(=O)O1 Amb25946828 [0,0,0,1,0,0|1,0,2]=4 2568 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [0,0,0,1,0,0|0,0,2]=3 2569 B8R1.1 C=C[C@H]1COC(=O)N1 Amb27174193 [0,0,0,1,0,0|1,0,2]=4 2570 B8R1.1 C=C[C@H]1COC(=O)O1 Amb26588639 [0,0,0,1,0,0|1,0,2]=4 2571 B8R1.1 CC1=CC[C@@H](CO)C1 Amb24481425 [0,0,0,1,0,0|3,0,0]=4 2572 B8R1.1 CC1=NC(CCl)CO1 Amb27809665 [0,0,0,1,0,0|3,0,0]=4 2573 B8R1.1 CC1=NC(CF)CO1 Amb27491686 [0,0,0,1,0,0|3,0,0]=4 2574 B8R1.1 CC1CC(CN)CO1 Amb28193268 [0,0,0,1,0,0|2,0,1]=4 2575 B8R1.1 CC1CC(CO)CO1 Amb28401256 [0,0,0,1,0,0|2,0,1]=4 2576 B8R1.1 CCC1=CC(=O)CC1 Amb25889297 [0,0,0,1,0,0|1,0,2]=4 2577 B8R1.1 CCC1=NNC(=O)C1 Amb4335453 [0,0,0,1,0,0|2,0,1]=4 2578 B8R1.1 CCC1=NOC(=O)C1 Amb26614539 [0,0,0,1,0,0|1,0,1]=3 2579 B8R1.1 CCC1C=CC(=O)O1 Amb23571855 [0,0,0,1,0,0|2,0,1]=4 2580 B8R1.1 CCC1CC(=O)CO1 Amb27856666 [0,0,0,1,0,0|2,0,0]=3 2581 B8R1.1 CCC1CC(=O)NN1 Amb29862365 [0,0,0,1,0,0|2,0,0]=3 2582 B8R1.1 CCC1CC(O)CN1 Amb27398576 [0,0,0,1,0,0|2,0,1]=4 2583 B8R1.1 CCC1CC(O)CN1 Amb32753264 [0,0,0,1,0,0|2,0,1]=4 2584 B8R1.1 CCC1CCC(=O)N1 Amb19516715 [0,0,0,1,0,0|2,0,0]=3 2585 B8R1.1 CCC1CCC(=O)O1 Amb3941505 [0,0,0,1,0,0|2,0,0]=3 2586 B8R1.1 CCC1CCC(C)C1 Amb4016287 [0,0,0,1,0,0|2,0,1]=4 2587 B8R1.1 CCC1CCC(Cl)C1 Amb27169802 [0,0,0,1,0,0|2,0,1]=4 2588 B8R1.1 CCC1CCC(O)C1 Amb24471617 [0,0,0,1,0,0|1,0,1]=3 2589 B8R1.1 CCC1CCC(O)O1 Amb27804358 [0,0,0,1,0,0|2,0,1]=4 2590 B8R1.1 CCC1CCC(S)C1 Amb25082172 [0,0,0,1,0,0|1,1,1]=4 2591 B8R1.1 CCC1CCN(N)C1 Amb26475629 [0,0,0,1,0,0|3,0,0]=4 2592 B8R1.1 CCC1CN=C(Br)S1 Amb27783911 [0,0,0,1,0,0|3,0,0]=4 2593 B8R1.1 CCC1CN=C(C)N1 Amb25732193 [0,0,0,1,0,0|3,0,0]=4 2594 B8R1.1 CCC1CN=C(C)S1 Amb25197984 [0,0,0,1,0,0|3,0,0]=4 2595 B8R1.1 CCC1CN=C(Cl)S1 Amb28315725 [0,0,0,1,0,0|3,0,0]=4 2596 B8R1.1 CCC1CNC(=O)C1 Amb10608005 [0,0,0,1,0,0|1,0,0]=2 2597 B8R1.1 CCC1CNC(=O)N1 Amb17506855 [0,0,0,1,0,0|2,0,0]=3 2598 B8R1.1 CCC1CNC(=O)O1 Amb27237218 [0,0,0,1,0,0|2,0,0]=3 2599 B8R1.1 CCC1CNC(=S)S1 Amb28428460 [0,0,0,1,0,0|2,1,0]=4 2600 B8R1.1 CCC1CNC(C)C1 Amb27880324 [0,0,0,1,0,0|2,0,1]=4 2601 B8R1.1 CCC1CNC(S)=N1 Amb25072509 [0,0,0,1,0,0|2,1,0]=4 2602 B8R1.1 CCC1COC(=O)C1 Amb27854064 [0,0,0,1,0,0|0,0,0]=1 2603 B8R1.1 CCC1COC(=O)N1 Amb19516988 [0,0,0,1,0,0|1,0,0]=2 2604 B8R1.1 CCC1COC(=O)O1 Amb2721339 [0,0,0,1,0,0|1,0,0]=2 2605 B8R1.1 CCC1COC(=S)N1 Amb27264047 [0,0,0,1,0,0|1,1,0]=3 2606 B8R1.1 CCC1CSC(=S)N1 Amb25078191 [0,0,0,1,0,0|1,2,0]=4 2607 B8R1.1 CCC1CSC(Br)=N1 Amb25749236 [0,0,0,1,0,0|2,1,0]=4 2608 B8R1.1 CCC1CSC(C)=N1 Amb24325349 [0,0,0,1,0,0|2,1,0]=4 2609 B8R1.1 CCC1CSC(Cl)=N1 Amb28049028 [0,0,0,1,0,0|2,1,0]=4 2610 B8R1.1 CCN1CCC(O)C1 Amb3939019 [0,0,0,1,0,0|2,0,1]=4 2611 B8R1.1 CC[C@@H]1C=CC(=O)O1 Amb27954643 [0,0,0,1,0,0|2,0,1]=4 2612 B8R1.1 CC[C@@H]1CCC(=O)O1 Amb26626757 [0,0,0,1,0,0|2,0,0]=3 2613 B8R1.1 CC[C@@H]1CC[C@H](O)C1 Amb27626637 [0,0,0,1,0,0|1,0,1]=3 2614 B8R1.1 CC[C@@H]1COC(=S)N1 Amb27838333 [0,0,0,1,0,0|1,1,0]=3 2615 B8R1.1 CC[C@@H]1C[C@H](O)CN1 Amb27787989 [0,0,0,1,0,0|2,0,1]=4 2616 B8R1.1 CC[C@H]1C=CC(=O)O1 Amb28195329 [0,0,0,1,0,0|2,0,1]=4 2617 B8R1.1 CC[C@H]1C=C[C@H](O)C1 Amb28064182 [0,0,0,1,0,0|1,0,2]=4 2618 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [0,0,0,1,0,0|2,0,0]=3 2619 B8R1.1 CC[C@H]1CC[C@@H](C)C1 Amb27780680 [0,0,0,1,0,0|2,0,1]=4 2620 B8R1.1 CC[C@H]1CNC(=O)O1 Amb27954656 [0,0,0,1,0,0|2,0,0]=3 2621 B8R1.1 CC[C@H]1COC(=O)N1 Amb27411564 [0,0,0,1,0,0|1,0,0]=2 2622 B8R1.1 CC[C@H]1COC(=S)N1 Amb27596053 [0,0,0,1,0,0|1,1,0]=3 2623 B8R1.1 CC[C@H]1CSC(=S)N1 Amb27810512 [0,0,0,1,0,0|1,2,0]=4 2624 B8R1.1 CC[C@H]1C[C@@H](O)CN1 Amb32676625 [0,0,0,1,0,0|2,0,1]=4 2625 B8R1.1 CC[C@H]1C[C@@H](O)CN1 Amb32676626 [0,0,0,1,0,0|2,0,1]=4 2626 B8R1.1 CNC1=CC(=O)OC1 Amb27168193 [0,0,0,1,0,0|1,0,2]=4 2627 B8R1.1 CNC1CCC(=O)C1 Amb28316112 [0,0,0,1,0,0|2,0,0]=3 2628 B8R1.1 CNC1CCC(O)C1 Amb27595077 [0,0,0,1,0,0|2,0,1]=4 2629 B8R1.1 CNC1CNC(=O)C1 Amb25851765 [0,0,0,1,0,0|2,0,0]=3 2630 B8R1.1 CNC1COC(=O)C1 Amb26505382 [0,0,0,1,0,0|1,0,0]=2 2631 B8R1.1 CNC1COC(C)C1 Amb35677486 [0,0,0,1,0,0|2,0,1]=4 2632 B8R1.1 COC1=CC(=O)OC1 Amb6366827 [0,0,0,1,0,0|1,0,2]=4 2633 B8R1.1 COC1CC(=O)CO1 Amb27409395 [0,0,0,1,0,0|3,0,0]=4 2634 B8R1.1 COC1CCC(=O)C1 Amb24483163 [0,0,0,1,0,0|2,0,0]=3 2635 B8R1.1 COC1CCC(=O)N1 Amb17617087 [0,0,0,1,0,0|3,0,0]=4 2636 B8R1.1 COC1CCC(O)C1 Amb26330676 [0,0,0,1,0,0|2,0,1]=4 2637 B8R1.1 COC1CNC(=O)C1 Amb24683870 [0,0,0,1,0,0|2,0,0]=3 2638 B8R1.1 COC1COC(=O)N1 Amb24372259 [0,0,0,1,0,0|2,0,0]=3 2639 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Amb25913334 [0,0,0,1,0,0|2,0,1]=4 2640 B8R1.1 CSC1CCC(=O)C1 Amb28184431 [0,0,0,1,0,0|2,0,0]=3 2641 B8R1.1 CSC1CCC(O)C1 Amb33620320 [0,0,0,1,0,0|2,0,1]=4 2642 B8R1.1 CSC1COC(=O)O1 Amb27395888 [0,0,0,1,0,0|2,0,0]=3 2643 B8R1.1 C[C@H]1C[C@H](CO)CO1 Amb27849658 [0,0,0,1,0,0|2,0,1]=4 2644 B8R1.1 N#CC1CCC(=O)C1 Amb22886979 [0,0,0,1,0,0|2,0,1]=4 2645 B8R1.1 N#CC1CNC(=O)C1 Amb25873600 [0,0,0,1,0,0|2,0,1]=4 2646 B8R1.1 N#CC1COC(=O)O1 Amb35788458 [0,0,0,1,0,0|2,0,1]=4 2647 B8R1.1 N#C[C@H]1CCC(=O)C1 Amb26562820 [0,0,0,1,0,0|2,0,1]=4 2648 B8R1.1 NCC1=NOC(=O)C1 Amb18833041 [0,0,0,1,0,0|2,0,1]=4 2649 B8R1.1 NCC1CCC(=O)C1 Amb24644946 [0,0,0,1,0,0|2,0,0]=3 2650 B8R1.1 NCC1CCC(=O)N1 Amb19330383 [0,0,0,1,0,0|3,0,0]=4 2651 B8R1.1 NCC1CCC(=O)N1 Amb2154785 [0,0,0,1,0,0|3,0,0]=4 2652 B8R1.1 NCC1CCC(=O)N1 Amb2699145 [0,0,0,1,0,0|3,0,0]=4 2653 B8R1.1 NCC1CCC(=O)O1 Amb24482045 [0,0,0,1,0,0|3,0,0]=4 2654 B8R1.1 NCC1CCC(=O)O1 Amb28934914 [0,0,0,1,0,0|3,0,0]=4 2655 B8R1.1 NCC1CCC(O)C1 Amb22886211 [0,0,0,1,0,0|2,0,1]=4 2656 B8R1.1 NCC1CCC(O)C1 Amb33547590 [0,0,0,1,0,0|2,0,1]=4 2657 B8R1.1 NCC1CNC(=O)C1 Amb22899752 [0,0,0,1,0,0|2,0,0]=3 2658 B8R1.1 NCC1CNC(=O)C1 Amb32434789 [0,0,0,1,0,0|2,0,0]=3 2659 B8R1.1 NCC1CNC(=O)C1 Amb8009790 [0,0,0,1,0,0|2,0,0]=3 2660 B8R1.1 NCC1CNC(=O)N1 Amb32666643 [0,0,0,1,0,0|3,0,0]=4 2661 B8R1.1 NCC1CNC(=O)N1 Amb33339243 [0,0,0,1,0,0|3,0,0]=4 2662 B8R1.1 NCC1CNC(=O)O1 Amb17506099 [0,0,0,1,0,0|3,0,0]=4 2663 B8R1.1 NCC1CNC(=O)O1 Amb33527727 [0,0,0,1,0,0|3,0,0]=4 2664 B8R1.1 NCC1COC(=O)N1 Amb27852206 [0,0,0,1,0,0|2,0,0]=3 2665 B8R1.1 NCC1COC(=O)N1 Amb28934922 [0,0,0,1,0,0|2,0,0]=3 2666 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb22746678 [0,0,0,1,0,0|3,0,0]=4 2667 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb2699146 [0,0,0,1,0,0|3,0,0]=4 2668 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Amb10066974 [0,0,0,1,0,0|2,0,1]=4 2669 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Amb10066982 [0,0,0,1,0,0|2,0,1]=4 2670 B8R1.1 NC[C@@H]1CNC(=O)C1 Amb23439750 [0,0,0,1,0,0|2,0,0]=3 2671 B8R1.1 NC[C@@H]1CNC(=O)C1 Amb23439751 [0,0,0,1,0,0|2,0,0]=3 2672 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb24183560 [0,0,0,1,0,0|3,0,0]=4 2673 B8R1.1 NC[C@@H]1CNC(=O)O1 Amb25127772 [0,0,0,1,0,0|3,0,0]=4 2674 B8R1.1 NC[C@H]1CCC(=O)N1 Amb2699147 [0,0,0,1,0,0|3,0,0]=4 2675 B8R1.1 NC[C@H]1CCC(=O)N1 Amb32721612 [0,0,0,1,0,0|3,0,0]=4 2676 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Amb10066975 [0,0,0,1,0,0|2,0,1]=4 2677 B8R1.1 NC[C@H]1CNC(=O)C1 Amb27797276 [0,0,0,1,0,0|2,0,0]=3 2678 B8R1.1 NC[C@H]1CNC(=O)C1 Amb31204575 [0,0,0,1,0,0|2,0,0]=3 2679 B8R1.1 NC[C@H]1CNC(=O)O1 Amb27403470 [0,0,0,1,0,0|3,0,0]=4 2680 B8R1.1 NC[C@H]1CNC(=O)O1 Amb30869777 [0,0,0,1,0,0|3,0,0]=4 2681 B8R1.1 O=C1C=C(CBr)CO1 Amb17935686 [0,0,0,1,0,0|1,0,2]=4 2682 B8R1.1 O=C1C=C(CCl)CO1 Amb24481317 [0,0,0,1,0,0|1,0,2]=4 2683 B8R1.1 O=C1C=C(CI)CO1 Amb27613248 [0,0,0,1,0,0|1,0,2]=4 2684 B8R1.1 O=C1C=C(CO)CO1 Amb23557062 [0,0,0,1,0,0|1,0,2]=4 2685 B8R1.1 O=C1C=C(CS)CO1 Amb28316054 [0,0,0,1,0,0|1,0,2]=4 2686 B8R1.1 O=C1CC(CBr)CN1 Amb33548071 [0,0,0,1,0,0|2,0,0]=3 2687 B8R1.1 O=C1CC(CCl)CN1 Amb27259904 [0,0,0,1,0,0|2,0,0]=3 2688 B8R1.1 O=C1CC(CF)CN1 Amb33379247 [0,0,0,1,0,0|2,0,0]=3 2689 B8R1.1 O=C1CC(CF)CO1 Amb23557063 [0,0,0,1,0,0|1,0,0]=2 2690 B8R1.1 O=C1CC(CI)CN1 Amb25031171 [0,0,0,1,0,0|2,0,0]=3 2691 B8R1.1 O=C1CC(CO)CN1 Amb9902173 [0,0,0,1,0,0|2,0,0]=3 2692 B8R1.1 O=C1CC(CO)CO1 Amb22886806 [0,0,0,1,0,0|1,0,0]=2 2693 B8R1.1 O=C1CC(CO)NN1 Amb35686080 [0,0,0,1,0,0|3,0,0]=4 2694 B8R1.1 O=C1CC(CS)CN1 Amb27850787 [0,0,0,1,0,0|2,0,0]=3 2695 B8R1.1 O=C1CCC(CBr)N1 Amb22492782 [0,0,0,1,0,0|3,0,0]=4 2696 B8R1.1 O=C1CCC(CBr)N1 Amb32752580 [0,0,0,1,0,0|3,0,0]=4 2697 B8R1.1 O=C1CCC(CBr)O1 Amb22587611 [0,0,0,1,0,0|3,0,0]=4 2698 B8R1.1 O=C1CCC(CCl)N1 Amb25125270 [0,0,0,1,0,0|3,0,0]=4 2699 B8R1.1 O=C1CCC(CCl)O1 Amb10608418 [0,0,0,1,0,0|3,0,0]=4 2700 B8R1.1 O=C1CCC(CF)N1 Amb27838313 [0,0,0,1,0,0|3,0,0]=4 2701 B8R1.1 O=C1CCC(CI)C1 Amb27481152 [0,0,0,1,0,0|2,0,0]=3 2702 B8R1.1 O=C1CCC(CI)N1 Amb25955610 [0,0,0,1,0,0|3,0,0]=4 2703 B8R1.1 O=C1CCC(CI)O1 Amb25718848 [0,0,0,1,0,0|3,0,0]=4 2704 B8R1.1 O=C1CCC(CO)C1 Amb22168734 [0,0,0,1,0,0|2,0,0]=3 2705 B8R1.1 O=C1CCC(CO)N1 Amb33544815 [0,0,0,1,0,0|3,0,0]=4 2706 B8R1.1 O=C1CCC(CO)O1 Amb20240701 [0,0,0,1,0,0|3,0,0]=4 2707 B8R1.1 O=C1CCC(CO)S1 Amb28202904 [0,0,0,1,0,0|3,0,0]=4 2708 B8R1.1 O=C1CCC(CS)C1 Amb27828867 [0,0,0,1,0,0|2,0,0]=3 2709 B8R1.1 O=C1CCC(CS)N1 Amb32788463 [0,0,0,1,0,0|3,0,0]=4 2710 B8R1.1 O=C1CC[C@@H](CBr)N1 Amb2694702 [0,0,0,1,0,0|3,0,0]=4 2711 B8R1.1 O=C1CC[C@@H](CBr)N1 Amb32664923 [0,0,0,1,0,0|3,0,0]=4 2712 B8R1.1 O=C1CC[C@@H](CBr)O1 Amb24483198 [0,0,0,1,0,0|3,0,0]=4 2713 B8R1.1 O=C1CC[C@@H](CI)O1 Amb27175447 [0,0,0,1,0,0|3,0,0]=4 2714 B8R1.1 O=C1CC[C@@H](CO)N1 Amb2371840 [0,0,0,1,0,0|3,0,0]=4 2715 B8R1.1 O=C1CC[C@@H](CO)O1 Amb8515911 [0,0,0,1,0,0|3,0,0]=4 2716 B8R1.1 O=C1CC[C@H](CBr)C1 Amb26032409 [0,0,0,1,0,0|2,0,0]=3 2717 B8R1.1 O=C1CC[C@H](CBr)N1 Amb2695539 [0,0,0,1,0,0|3,0,0]=4 2718 B8R1.1 O=C1CC[C@H](CCl)N1 Amb26508557 [0,0,0,1,0,0|3,0,0]=4 2719 B8R1.1 O=C1CC[C@H](CO)N1 Amb2694795 [0,0,0,1,0,0|3,0,0]=4 2720 B8R1.1 O=C1CC[C@H](CO)O1 Amb4037005 [0,0,0,1,0,0|3,0,0]=4 2721 B8R1.1 O=C1CNC(CCl)C1 Amb27864068 [0,0,0,1,0,0|3,0,0]=4 2722 B8R1.1 O=C1COC(CO)C1 Amb24117838 [0,0,0,1,0,0|3,0,0]=4 2723 B8R1.1 O=C1C[C@@H](CBr)CO1 Amb27590526 [0,0,0,1,0,0|1,0,0]=2 2724 B8R1.1 O=C1C[C@@H](CO)CN1 Amb24515579 [0,0,0,1,0,0|2,0,0]=3 2725 B8R1.1 O=C1C[C@H](CF)CO1 Amb24626048 [0,0,0,1,0,0|1,0,0]=2 2726 B8R1.1 O=C1C[C@H](CO)CN1 Amb25745471 [0,0,0,1,0,0|2,0,0]=3 2727 B8R1.1 O=C1NC(CCl)CO1 Amb28282690 [0,0,0,1,0,0|2,0,0]=3 2728 B8R1.1 O=C1NC(CF)CO1 Amb33358226 [0,0,0,1,0,0|2,0,0]=3 2729 B8R1.1 O=C1NC(CO)CO1 Amb22410779 [0,0,0,1,0,0|2,0,0]=3 2730 B8R1.1 O=C1NC(CO)CS1 Amb27170689 [0,0,0,1,0,0|2,1,0]=4 2731 B8R1.1 O=C1NCC(CBr)O1 Amb24530204 [0,0,0,1,0,0|3,0,0]=4 2732 B8R1.1 O=C1NCC(CBr)S1 Amb7968758 [0,0,0,1,0,0|3,0,0]=4 2733 B8R1.1 O=C1NCC(CCl)O1 Amb1152954 [0,0,0,1,0,0|3,0,0]=4 2734 B8R1.1 O=C1NCC(CF)O1 Amb33379234 [0,0,0,1,0,0|3,0,0]=4 2735 B8R1.1 O=C1NCC(CI)O1 Amb28282085 [0,0,0,1,0,0|3,0,0]=4 2736 B8R1.1 O=C1NCC(CO)O1 Amb9421413 [0,0,0,1,0,0|3,0,0]=4 2737 B8R1.1 O=C1NCC(CS)O1 Amb25725846 [0,0,0,1,0,0|3,0,0]=4 2738 B8R1.1 O=C1NC[C@@H](CBr)O1 Amb27401944 [0,0,0,1,0,0|3,0,0]=4 2739 B8R1.1 O=C1NC[C@@H](CCl)O1 Amb22232513 [0,0,0,1,0,0|3,0,0]=4 2740 B8R1.1 O=C1NC[C@@H](CO)N1 Amb33482781 [0,0,0,1,0,0|3,0,0]=4 2741 B8R1.1 O=C1NC[C@@H](CO)O1 Amb24183552 [0,0,0,1,0,0|3,0,0]=4 2742 B8R1.1 O=C1NC[C@H](CCl)O1 Amb25077275 [0,0,0,1,0,0|3,0,0]=4 2743 B8R1.1 O=C1NC[C@H](CO)N1 Amb33620311 [0,0,0,1,0,0|3,0,0]=4 2744 B8R1.1 O=C1NC[C@H](CO)O1 Amb22737250 [0,0,0,1,0,0|3,0,0]=4 2745 B8R1.1 O=C1N[C@@H](CI)CO1 Amb22746832 [0,0,0,1,0,0|2,0,0]=3 2746 B8R1.1 O=C1N[C@@H](CO)CO1 Amb26396455 [0,0,0,1,0,0|2,0,0]=3 2747 B8R1.1 O=C1N[C@H](CI)CO1 Amb28048135 [0,0,0,1,0,0|2,0,0]=3 2748 B8R1.1 O=C1N[C@H](CO)CO1 Amb26653948 [0,0,0,1,0,0|2,0,0]=3 2749 B8R1.1 O=C1N[C@H](CO)CS1 Amb27655608 [0,0,0,1,0,0|2,1,0]=4 2750 B8R1.1 O=C1OCC(CCl)O1 Amb3940630 [0,0,0,1,0,0|2,0,0]=3 2751 B8R1.1 O=C1OCC(CF)O1 Amb28348445 [0,0,0,1,0,0|2,0,0]=3 2752 B8R1.1 O=C1OCC(CO)O1 Amb3939438 [0,0,0,1,0,0|2,0,0]=3 2753 B8R1.1 O=C1OCC(CS)O1 Amb32650873 [0,0,0,1,0,0|2,0,0]=3 2754 B8R1.1 O=C1SCC(CCl)S1 Amb27975820 [0,0,0,1,0,0|2,1,0]=4 2755 B8R1.1 O=C1SCC(CO)S1 Amb27394779 [0,0,0,1,0,0|2,1,0]=4 2756 B8R1.1 O=CC1CCC(=O)C1 Amb18124240 [0,0,0,1,0,0|2,0,1]=4 2757 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,0,0,1,0,0|2,0,1]=4 2758 B8R1.1 O=CC1COC(=O)C1 Amb26428572 [0,0,0,1,0,0|1,0,1]=3 2759 B8R1.1 O=CC1COC(=O)O1 Amb27446683 [0,0,0,1,0,0|2,0,1]=4 2760 B8R1.1 O=S1CCC(CO)C1 Amb27763052 [0,0,0,1,0,0|3,0,0]=4 2761 B8R1.1 O=S1OCC(CBr)O1 Amb27873947 [0,0,0,1,0,0|3,0,0]=4 2762 B8R1.1 O=S1OCC(CCl)O1 Amb24624110 [0,0,0,1,0,0|3,0,0]=4 2763 B8R1.1 O=S1OCC(CF)O1 Amb21951909 [0,0,0,1,0,0|3,0,0]=4 2764 B8R1.1 O=S1OCC(CO)O1 Amb25802802 [0,0,0,1,0,0|3,0,0]=4 2765 B8R1.1 O=[PH]1OCC(CCl)O1 Amb27984375 [0,0,0,1,0,0|3,0,0]=4 2766 B8R1.1 OCC1CCC(O)C1 Amb22168730 [0,0,0,1,0,0|2,0,1]=4 2767 B8R1.1 OCC1CNC(O)=N1 Amb24602100 [0,0,0,1,0,0|3,0,0]=4 2768 B8R1.1 OCC1COC(=S)N1 Amb27168182 [0,0,0,1,0,0|2,1,0]=4 2769 B8R1.1 OC[C@H]1CC[C@H](O)C1 Amb24544575 [0,0,0,1,0,0|2,0,1]=4 2770 B8R1.1 O[C@@H]1CC[C@@H](CS)C1 Amb27448845 [0,0,0,1,0,0|2,0,1]=4 2771 B8R1.1 [NH3+]C[C@@H]1CCC(=O)O1 Amb28464028 [0,0,0,1,0,0|3,0,0]=4 2772 B8R1.4 C=C1CCCC(=O)C1 Amb28132034 [0,0,0,1,0,0|1,0,2]=4 2773 B8R1.4 C=C1CCNC(C)C1 Amb29849450 [0,0,0,1,0,0|3,0,0]=4 2774 B8R1.4 C=C1CCOC(C)C1 Amb25235098 [0,0,0,1,0,0|3,0,0]=4 2775 B8R1.4 C=C1CNCC(C)C1 Amb35719512 [0,0,0,1,0,0|3,0,0]=4 2776 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [0,0,0,1,0,0|1,0,2]=4 2777 B8R1.4 CC1=CC(=O)NCC1 Amb27170325 [0,0,0,1,0,0|1,0,2]=4 2778 B8R1.4 CC1=CC(C)CCC1 Amb26410159 [0,0,0,1,0,0|2,0,1]=4 2779 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,0,0,1,0,0|1,0,2]=4 2780 B8R1.4 CC1=NC(=O)CCC1 Amb28239945 [0,0,0,1,0,0|2,0,1]=4 2781 B8R1.4 CC1=NC(C)CCC1 Amb27589065 [0,0,0,1,0,0|3,0,0]=4 2782 B8R1.4 CC1CC(=O)C=CN1 Amb28423365 [0,0,0,1,0,0|2,0,1]=4 2783 B8R1.4 CC1CC(=O)C=CO1 Amb25173826 [0,0,0,1,0,0|2,0,1]=4 2784 B8R1.4 CC1CC(=O)CCN1 Amb1087926 [0,0,0,1,0,0|2,0,0]=3 2785 B8R1.4 CC1CC(=O)CCN1 Amb19515809 [0,0,0,1,0,0|2,0,0]=3 2786 B8R1.4 CC1CC(=O)CCN1 Amb30585094 [0,0,0,1,0,0|2,0,0]=3 2787 B8R1.4 CC1CC(=O)CCO1 Amb18833037 [0,0,0,1,0,0|2,0,0]=3 2788 B8R1.4 CC1CC(=O)CCS1 Amb27256424 [0,0,0,1,0,0|2,0,0]=3 2789 B8R1.4 CC1CC(Br)CCO1 Amb25367234 [0,0,0,1,0,0|2,0,1]=4 2790 B8R1.4 CC1CC(Cl)CCO1 Amb26046391 [0,0,0,1,0,0|2,0,1]=4 2791 B8R1.4 CC1CC(N)CCO1 Amb22059408 [0,0,0,1,0,0|2,0,1]=4 2792 B8R1.4 CC1CC(N)CCO1 Amb33715162 [0,0,0,1,0,0|2,0,1]=4 2793 B8R1.4 CC1CC(O)CCN1 Amb1051141 [0,0,0,1,0,0|2,0,1]=4 2794 B8R1.4 CC1CC(O)CCN1 Amb32661025 [0,0,0,1,0,0|2,0,1]=4 2795 B8R1.4 CC1CC(O)CCO1 Amb22757197 [0,0,0,1,0,0|2,0,1]=4 2796 B8R1.4 CC1CC(S)CCO1 Amb26515745 [0,0,0,1,0,0|2,0,1]=4 2797 B8R1.4 CC1CC=CC(=O)C1 Amb4034490 [0,0,0,1,0,0|1,0,1]=3 2798 B8R1.4 CC1CC=CC(=O)N1 Amb27788159 [0,0,0,1,0,0|2,0,1]=4 2799 B8R1.4 CC1CC=CC(=O)O1 Amb22173905 [0,0,0,1,0,0|2,0,1]=4 2800 B8R1.4 CC1CC=CC(O)C1 Amb27406837 [0,0,0,1,0,0|1,0,2]=4 2801 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [0,0,0,1,0,0|1,0,0]=2 2802 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [0,0,0,1,0,0|2,0,0]=3 2803 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,0,0,1,0,0|2,0,0]=3 2804 B8R1.4 CC1CCCC(Br)C1 Amb9204166 [0,0,0,1,0,0|2,0,1]=4 2805 B8R1.4 CC1CCCC(C)C1 Amb4036439 [0,0,0,1,0,0|2,0,1]=4 2806 B8R1.4 CC1CCCC(Cl)C1 Amb9205059 [0,0,0,1,0,0|2,0,1]=4 2807 B8R1.4 CC1CCCC(I)C1 Amb25954445 [0,0,0,1,0,0|2,0,1]=4 2808 B8R1.4 CC1CCCC(N)C1 Amb6892976 [0,0,0,1,0,0|2,0,1]=4 2809 B8R1.4 CC1CCCC(N)C1 Amb9706328 [0,0,0,1,0,0|2,0,1]=4 2810 B8R1.4 CC1CCCC(O)C1 Amb9702772 [0,0,0,1,0,0|1,0,1]=3 2811 B8R1.4 CC1CCCC(S)C1 Amb9208049 [0,0,0,1,0,0|1,1,1]=4 2812 B8R1.4 CC1CCCN(N)C1 Amb17231819 [0,0,0,1,0,0|3,0,0]=4 2813 B8R1.4 CC1CCCN(O)C1 Amb27631256 [0,0,0,1,0,0|2,0,0]=3 2814 B8R1.4 CC1CCN=C(N)S1 Amb22228568 [0,0,0,1,0,0|3,0,0]=4 2815 B8R1.4 CC1CCNC(=O)C1 Amb20668125 [0,0,0,1,0,0|1,0,0]=2 2816 B8R1.4 CC1CCNC(=O)N1 Amb27193730 [0,0,0,1,0,0|2,0,0]=3 2817 B8R1.4 CC1CCNC(=S)N1 Amb27838373 [0,0,0,1,0,0|2,1,0]=4 2818 B8R1.4 CC1CCNC(C)C1 Amb19957920 [0,0,0,1,0,0|2,0,1]=4 2819 B8R1.4 CC1CCNC(C)C1 Amb2714084 [0,0,0,1,0,0|2,0,1]=4 2820 B8R1.4 CC1CCNC(N)=N1 Amb25879219 [0,0,0,1,0,0|3,0,0]=4 2821 B8R1.4 CC1CCNC(N)=N1 Amb35747071 [0,0,0,1,0,0|3,0,0]=4 2822 B8R1.4 CC1CCOC(=O)N1 Amb27655650 [0,0,0,1,0,0|1,0,0]=2 2823 B8R1.4 CC1CCOC(=O)O1 Amb33714707 [0,0,0,1,0,0|1,0,0]=2 2824 B8R1.4 CC1CCOC(C)N1 Amb33194285 [0,0,0,1,0,0|2,0,1]=4 2825 B8R1.4 CC1CCOC(C)O1 Amb4017488 [0,0,0,1,0,0|2,0,1]=4 2826 B8R1.4 CC1CCOC(I)C1 Amb32419164 [0,0,0,1,0,0|1,0,1]=3 2827 B8R1.4 CC1CCOS(=O)O1 Amb4010773 [0,0,0,1,0,0|2,0,0]=3 2828 B8R1.4 CC1CNCC(=O)C1 Amb26048394 [0,0,0,1,0,0|2,0,0]=3 2829 B8R1.4 CC1CNCC(=O)C1 Amb33494302 [0,0,0,1,0,0|2,0,0]=3 2830 B8R1.4 CC1CNCC(=O)N1 Amb22587525 [0,0,0,1,0,0|3,0,0]=4 2831 B8R1.4 CC1CNCC(=O)N1 Amb32410668 [0,0,0,1,0,0|3,0,0]=4 2832 B8R1.4 CC1CNCC(O)C1 Amb24507417 [0,0,0,1,0,0|2,0,1]=4 2833 B8R1.4 CC1CNCC(O)C1 Amb28934840 [0,0,0,1,0,0|2,0,1]=4 2834 B8R1.4 CC1CNNC(=O)C1 Amb27800916 [0,0,0,1,0,0|2,0,0]=3 2835 B8R1.4 CC1COCC(=O)N1 Amb10608100 [0,0,0,1,0,0|3,0,0]=4 2836 B8R1.4 CC1CS(=O)CCN1 Amb18124392 [0,0,0,1,0,0|3,0,0]=4 2837 B8R1.4 CC1NCCC(=O)N1 Amb32418334 [0,0,0,1,0,0|3,0,0]=4 2838 B8R1.4 CN1CC=CC(=O)C1 Amb27186211 [0,0,0,1,0,0|2,0,1]=4 2839 B8R1.4 CN1CCC=C(Br)C1 Amb10975875 [0,0,0,1,0,0|3,0,0]=4 2840 B8R1.4 CN1CCC=C(Br)C1 Amb13888761 [0,0,0,1,0,0|3,0,0]=4 2841 B8R1.4 CN1CCCC(=O)C1 Amb10602467 [0,0,0,1,0,0|2,0,0]=3 2842 B8R1.4 CN1CCCC(=O)C1 Amb22304741 [0,0,0,1,0,0|2,0,0]=3 2843 B8R1.4 CN1CCCC(=O)C1 Amb31204623 [0,0,0,1,0,0|2,0,0]=3 2844 B8R1.4 CN1CCCC(O)C1 Amb33623580 [0,0,0,1,0,0|2,0,1]=4 2845 B8R1.4 CN1CCCC(O)C1 Amb534752 [0,0,0,1,0,0|2,0,1]=4 2846 B8R1.4 CN1CCC[C@@H](O)C1 Amb22225150 [0,0,0,1,0,0|2,0,1]=4 2847 B8R1.4 CN1CCC[C@H](O)C1 Amb22225471 [0,0,0,1,0,0|2,0,1]=4 2848 B8R1.4 CN1CCNC(=O)C1 Amb19958159 [0,0,0,1,0,0|2,0,0]=3 2849 B8R1.4 CN1CCOC(=O)C1 Amb21963307 [0,0,0,1,0,0|1,0,0]=2 2850 B8R1.4 CN1CCOC(=O)C1 Amb22491652 [0,0,0,1,0,0|1,0,0]=2 2851 B8R1.4 C[C@@H]1CC(=O)C=CO1 Amb22748948 [0,0,0,1,0,0|2,0,1]=4 2852 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb22748911 [0,0,0,1,0,0|2,0,0]=3 2853 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb23439312 [0,0,0,1,0,0|2,0,0]=3 2854 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb27593729 [0,0,0,1,0,0|2,0,0]=3 2855 B8R1.4 C[C@@H]1CC(=O)CCO1 Amb23440042 [0,0,0,1,0,0|2,0,0]=3 2856 B8R1.4 C[C@@H]1CC=CC(=O)C1 Amb27762503 [0,0,0,1,0,0|1,0,1]=3 2857 B8R1.4 C[C@@H]1CC=C[C@@H](O)C1 Amb27782178 [0,0,0,1,0,0|1,0,2]=4 2858 B8R1.4 C[C@@H]1CCCC(=O)C1 Amb21618704 [0,0,0,1,0,0|1,0,0]=2 2859 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [0,0,0,1,0,0|2,0,0]=3 2860 B8R1.4 C[C@@H]1CCCC(=O)O1 Amb4166295 [0,0,0,1,0,0|2,0,0]=3 2861 B8R1.4 C[C@@H]1CCC[C@@H](Cl)C1 Amb27626999 [0,0,0,1,0,0|2,0,1]=4 2862 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 Amb24629158 [0,0,0,1,0,0|2,0,1]=4 2863 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 Amb24383351 [0,0,0,1,0,0|1,0,1]=3 2864 B8R1.4 C[C@@H]1CCC[C@H](Br)C1 Amb27484045 [0,0,0,1,0,0|2,0,1]=4 2865 B8R1.4 C[C@@H]1CCC[C@H](N)C1 Amb27800615 [0,0,0,1,0,0|2,0,1]=4 2866 B8R1.4 C[C@@H]1CCC[C@H](O)C1 Amb24713971 [0,0,0,1,0,0|1,0,1]=3 2867 B8R1.4 C[C@@H]1CCN[C@H](C)C1 Amb24603758 [0,0,0,1,0,0|2,0,1]=4 2868 B8R1.4 C[C@@H]1CCN[C@H](C)C1 Amb28644774 [0,0,0,1,0,0|2,0,1]=4 2869 B8R1.4 C[C@@H]1CCO[C@@H](O)C1 Amb27854200 [0,0,0,1,0,0|0,0,2]=3 2870 B8R1.4 C[C@@H]1CCO[C@H](O)C1 Amb27484825 [0,0,0,1,0,0|0,0,2]=3 2871 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22504491 [0,0,0,1,0,0|3,0,0]=4 2872 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22748720 [0,0,0,1,0,0|3,0,0]=4 2873 B8R1.4 C[C@@H]1CNC[C@H](O)C1 Amb27212277 [0,0,0,1,0,0|2,0,1]=4 2874 B8R1.4 C[C@@H]1CNC[C@H](O)C1 Amb28644756 [0,0,0,1,0,0|2,0,1]=4 2875 B8R1.4 C[C@@H]1COCC(=O)N1 Amb15693112 [0,0,0,1,0,0|3,0,0]=4 2876 B8R1.4 C[C@@H]1C[C@@H](Br)CCO1 Amb25281129 [0,0,0,1,0,0|2,0,1]=4 2877 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Amb24575458 [0,0,0,1,0,0|2,0,1]=4 2878 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Amb22406182 [0,0,0,1,0,0|2,0,1]=4 2879 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Amb23440188 [0,0,0,1,0,0|2,0,1]=4 2880 B8R1.4 C[C@H]1CC(=O)C=CO1 Amb24483279 [0,0,0,1,0,0|2,0,1]=4 2881 B8R1.4 C[C@H]1CC(=O)CCN1 Amb22406027 [0,0,0,1,0,0|2,0,0]=3 2882 B8R1.4 C[C@H]1CC(=O)CCN1 Amb28072876 [0,0,0,1,0,0|2,0,0]=3 2883 B8R1.4 C[C@H]1CC(=O)CCN1 Amb33801725 [0,0,0,1,0,0|2,0,0]=3 2884 B8R1.4 C[C@H]1CC(=O)CCO1 Amb27969730 [0,0,0,1,0,0|2,0,0]=3 2885 B8R1.4 C[C@H]1CC=CC(=O)O1 Amb24584842 [0,0,0,1,0,0|2,0,1]=4 2886 B8R1.4 C[C@H]1CC=C[C@H](O)C1 Amb27641891 [0,0,0,1,0,0|1,0,2]=4 2887 B8R1.4 C[C@H]1CCCC(=O)C1 Amb22799724 [0,0,0,1,0,0|1,0,0]=2 2888 B8R1.4 C[C@H]1CCCC(=O)O1 Amb26865751 [0,0,0,1,0,0|2,0,0]=3 2889 B8R1.4 C[C@H]1CCCC(O)C1 Amb27410880 [0,0,0,1,0,0|1,0,1]=3 2890 B8R1.4 C[C@H]1CCCC(O)O1 Amb28206458 [0,0,0,1,0,0|2,0,1]=4 2891 B8R1.4 C[C@H]1CCC[C@@H](O)C1 Amb22800307 [0,0,0,1,0,0|1,0,1]=3 2892 B8R1.4 C[C@H]1CCC[C@H](O)C1 Amb26633070 [0,0,0,1,0,0|1,0,1]=3 2893 B8R1.4 C[C@H]1CCNC(=O)C1 Amb25739591 [0,0,0,1,0,0|1,0,0]=2 2894 B8R1.4 C[C@H]1CCN[C@@H](C)C1 Amb22748742 [0,0,0,1,0,0|2,0,1]=4 2895 B8R1.4 C[C@H]1CCN[C@@H](C)C1 Amb26017367 [0,0,0,1,0,0|2,0,1]=4 2896 B8R1.4 C[C@H]1CCO[C@@H](O)C1 Amb28197437 [0,0,0,1,0,0|0,0,2]=3 2897 B8R1.4 C[C@H]1CNCC(=O)N1 Amb22304821 [0,0,0,1,0,0|3,0,0]=4 2898 B8R1.4 C[C@H]1CNCC(=O)N1 Amb23385344 [0,0,0,1,0,0|3,0,0]=4 2899 B8R1.4 C[C@H]1CNC[C@@H](O)C1 Amb28057034 [0,0,0,1,0,0|2,0,1]=4 2900 B8R1.4 C[C@H]1CNC[C@H](O)C1 Amb27630532 [0,0,0,1,0,0|2,0,1]=4 2901 B8R1.4 C[C@H]1COCC(=O)N1 Amb22232054 [0,0,0,1,0,0|3,0,0]=4 2902 B8R1.4 C[C@H]1CS(=O)CCN1 Amb27866032 [0,0,0,1,0,0|3,0,0]=4 2903 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Amb22406181 [0,0,0,1,0,0|2,0,1]=4 2904 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Amb26916893 [0,0,0,1,0,0|2,0,1]=4 2905 B8R1.4 C[C@H]1C[C@@H](O)CCO1 Amb26549571 [0,0,0,1,0,0|2,0,1]=4 2906 B8R1.4 C[C@H]1C[C@H](O)CCO1 Amb26891979 [0,0,0,1,0,0|2,0,1]=4 2907 B8R1.4 NC1CCCC(=O)C1 Amb23440459 [0,0,0,1,0,0|2,0,0]=3 2908 B8R1.4 NC1CCCC(=O)C1 Amb8387391 [0,0,0,1,0,0|2,0,0]=3 2909 B8R1.4 NC1CCCC(O)C1 Amb22491291 [0,0,0,1,0,0|2,0,1]=4 2910 B8R1.4 NC1CCCC(O)C1 Amb9717357 [0,0,0,1,0,0|2,0,1]=4 2911 B8R1.4 NC1CCNC(=O)C1 Amb10067177 [0,0,0,1,0,0|2,0,0]=3 2912 B8R1.4 NC1CCNC(=O)C1 Amb19957631 [0,0,0,1,0,0|2,0,0]=3 2913 B8R1.4 NC1CCNC(=O)C1 Amb21960626 [0,0,0,1,0,0|2,0,0]=3 2914 B8R1.4 NC1COCC(=O)C1 Amb33623050 [0,0,0,1,0,0|3,0,0]=4 2915 B8R1.4 NC1COCC(=O)C1 Amb33716160 [0,0,0,1,0,0|3,0,0]=4 2916 B8R1.4 N[C@@H]1CCCS(=O)C1 Amb25168909 [0,0,0,1,0,0|3,0,0]=4 2917 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 Amb24074365 [0,0,0,1,0,0|2,0,1]=4 2918 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 Amb24671187 [0,0,0,1,0,0|2,0,1]=4 2919 B8R1.4 N[C@@H]1CCC[C@H](O)C1 Amb33870222 [0,0,0,1,0,0|2,0,1]=4 2920 B8R1.4 N[C@@H]1CCNC(=O)C1 Amb27489147 [0,0,0,1,0,0|2,0,0]=3 2921 B8R1.4 N[C@H]1CCCS(=O)C1 Amb27838286 [0,0,0,1,0,0|3,0,0]=4 2922 B8R1.4 N[C@H]1CCC[C@@H](O)C1 Amb22746547 [0,0,0,1,0,0|2,0,1]=4 2923 B8R1.4 N[C@H]1CCC[C@@H](O)C1 Amb22752827 [0,0,0,1,0,0|2,0,1]=4 2924 B8R1.4 N[C@H]1CCC[C@H](O)C1 Amb22828171 [0,0,0,1,0,0|2,0,1]=4 2925 B8R1.4 N[C@H]1CCC[C@H](O)C1 Amb22886176 [0,0,0,1,0,0|2,0,1]=4 2926 B8R1.4 N[C@H]1CCNC(=O)C1 Amb25168718 [0,0,0,1,0,0|2,0,0]=3 2927 B8R1.4 O=C1C=CCC(O)C1 Amb27227199 [0,0,0,1,0,0|2,0,1]=4 2928 B8R1.4 O=C1CC(F)CCN1 Amb27459538 [0,0,0,1,0,0|2,0,0]=3 2929 B8R1.4 O=C1CC(O)CCN1 Amb10602744 [0,0,0,1,0,0|2,0,0]=3 2930 B8R1.4 O=C1CC(S)NCN1 Amb28245543 [0,0,0,1,0,0|3,0,0]=4 2931 B8R1.4 O=C1CCCC(=O)C1 Amb932798 [0,0,0,1,0,0|2,0,1]=4 2932 B8R1.4 O=C1CCCC(Br)C1 Amb27850962 [0,0,0,1,0,0|2,0,0]=3 2933 B8R1.4 O=C1CCCC(Cl)C1 Amb26946112 [0,0,0,1,0,0|2,0,0]=3 2934 B8R1.4 O=C1CCCC(Cl)N1 Amb28423467 [0,0,0,1,0,0|3,0,0]=4 2935 B8R1.4 O=C1CCCC(F)C1 Amb24578309 [0,0,0,1,0,0|2,0,0]=3 2936 B8R1.4 O=C1CCCC(I)C1 Amb24436778 [0,0,0,1,0,0|2,0,0]=3 2937 B8R1.4 O=C1CCCC(O)C1 Amb22754759 [0,0,0,1,0,0|2,0,0]=3 2938 B8R1.4 O=C1CCCC(O)N1 Amb26394230 [0,0,0,1,0,0|3,0,0]=4 2939 B8R1.4 O=C1CCC[C@@H](O)C1 Amb25320136 [0,0,0,1,0,0|2,0,0]=3 2940 B8R1.4 O=C1CCC[C@H](O)C1 Amb27432456 [0,0,0,1,0,0|2,0,0]=3 2941 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,0,0,1,0,0|2,0,1]=4 2942 B8R1.4 O=C1CCOC(=O)C1 Amb26459895 [0,0,0,1,0,0|1,0,1]=3 2943 B8R1.4 O=C1CS(=O)CCN1 Amb27184590 [0,0,0,1,0,0|3,0,0]=4 2944 B8R1.4 O=C1C[C@@H](O)CCN1 Amb22744924 [0,0,0,1,0,0|2,0,0]=3 2945 B8R1.4 O=C1C[C@H](O)CCN1 Amb17845212 [0,0,0,1,0,0|2,0,0]=3 2946 B8R1.4 O=S1CCCC(Br)C1 Amb26370333 [0,0,0,1,0,0|3,0,0]=4 2947 B8R1.4 O=S1CCCC(Cl)C1 Amb27876412 [0,0,0,1,0,0|3,0,0]=4 2948 B8R1.4 O=S1CCCC(O)C1 Amb26354128 [0,0,0,1,0,0|3,0,0]=4 2949 B8R1.4 O=S1CCC[C@H](O)C1 Amb28206445 [0,0,0,1,0,0|3,0,0]=4 2950 B8R1.4 OC1CCCC(O)C1 Amb4035048 [0,0,0,1,0,0|2,0,1]=4 2951 B8R1.4 OC1CCNC(O)C1 Amb27265958 [0,0,0,1,0,0|2,0,1]=4 2952 B8R1.4 OC1C[C@H](O)CCO1 Amb27261550 [0,0,0,1,0,0|1,0,2]=4 2953 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 Amb27950165 [0,0,0,1,0,0|2,0,1]=4 2954 B8R1.4 O[C@H]1CCC[C@@H](O)C1 Amb22801622 [0,0,0,1,0,0|2,0,1]=4 2955 B8R1.4 O[C@H]1CCC[C@H](O)C1 Amb22801014 [0,0,0,1,0,0|2,0,1]=4 2956 B8R1.18 CC1=C(C)NC(=O)C1 Amb27830150 [0,0,0,1,0,0|1,0,2]=4 2957 B8R1.18 CC1=C(C)OC(=O)N1 Amb19516947 [0,0,0,1,0,0|1,0,2]=4 2958 B8R1.18 CC1=C(C)OC(=O)O1 Amb19654027 [0,0,0,1,0,0|1,0,2]=4 2959 B8R1.18 CC1=CC(=O)CC1C Amb16191977 [0,0,0,1,0,0|1,0,1]=3 2960 B8R1.18 CC1=CC(=O)C[C@@H]1C Amb28316193 [0,0,0,1,0,0|1,0,1]=3 2961 B8R1.18 CC1=CC(=O)C[C@H]1C Amb28316192 [0,0,0,1,0,0|1,0,1]=3 2962 B8R1.18 CC1=CC(=O)OC1Br Amb25144076 [0,0,0,1,0,0|1,0,2]=4 2963 B8R1.18 CC1=CC(=O)OC1O Amb8389484 [0,0,0,1,0,0|1,0,2]=4 2964 B8R1.18 CC1=NC(C)C(C)N1 Amb30021239 [0,0,0,1,0,0|3,0,0]=4 2965 B8R1.18 CC1CC(=N)NC1C Amb27655587 [0,0,0,1,0,0|2,0,0]=3 2966 B8R1.18 CC1CC(=O)CC1C Amb25933629 [0,0,0,1,0,0|1,0,0]=2 2967 B8R1.18 CC1CC(=O)CN1C Amb20669273 [0,0,0,1,0,0|2,0,0]=3 2968 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [0,0,0,1,0,0|2,0,1]=4 2969 B8R1.18 CC1CC(=O)NC1C Amb20623595 [0,0,0,1,0,0|1,0,0]=2 2970 B8R1.18 CC1CC(=O)NC1O Amb27975748 [0,0,0,1,0,0|2,0,0]=3 2971 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [0,0,0,1,0,0|1,0,1]=3 2972 B8R1.18 CC1CC(=O)OC1C Amb27873473 [0,0,0,1,0,0|0,0,0]=1 2973 B8R1.18 CC1CC(=O)OC1O Amb26536810 [0,0,0,1,0,0|1,0,0]=2 2974 B8R1.18 CC1CC(Br)C(C)O1 Amb27476404 [0,0,0,1,0,0|2,0,1]=4 2975 B8R1.18 CC1CC(C)C(C)C1 Amb4019560 [0,0,0,1,0,0|2,0,1]=4 2976 B8R1.18 CC1CC(N)=NN1C Amb27810767 [0,0,0,1,0,0|3,0,0]=4 2977 B8R1.18 CC1CC(N)=NN1C Amb28934847 [0,0,0,1,0,0|3,0,0]=4 2978 B8R1.18 CC1CC(N)C(C)O1 Amb24619349 [0,0,0,1,0,0|2,0,1]=4 2979 B8R1.18 CC1CC(N)C(C)O1 Amb30585143 [0,0,0,1,0,0|2,0,1]=4 2980 B8R1.18 CC1CC(O)CC1C Amb28350247 [0,0,0,1,0,0|1,0,1]=3 2981 B8R1.18 CC1CC(O)CC1N Amb25169593 [0,0,0,1,0,0|2,0,1]=4 2982 B8R1.18 CC1CC(O)C[C@H]1C Amb27485056 [0,0,0,1,0,0|1,0,1]=3 2983 B8R1.18 CC1CC(O)ON1C Amb27472587 [0,0,0,1,0,0|1,0,2]=4 2984 B8R1.18 CC1CC(S)C(C)O1 Amb22234723 [0,0,0,1,0,0|2,0,1]=4 2985 B8R1.18 CC1C[C@H](C)[C@@H](C)C1 Amb26966244 [0,0,0,1,0,0|2,0,1]=4 2986 B8R1.18 CC1C[C@H](O)[C@H](C)O1 Amb27855467 [0,0,0,1,0,0|2,0,1]=4 2987 B8R1.18 CC1N=C(N)SC1C Amb28365932 [0,0,0,1,0,0|2,1,0]=4 2988 B8R1.18 CC1N=C(O)NC1C Amb27594689 [0,0,0,1,0,0|2,0,0]=3 2989 B8R1.18 CC1N=C(S)NC1C Amb27420948 [0,0,0,1,0,0|2,1,0]=4 2990 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [0,0,0,1,0,0|2,0,1]=4 2991 B8R1.18 CC1NC(=O)CC1O Amb27792924 [0,0,0,1,0,0|2,0,0]=3 2992 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [0,0,0,1,0,0|2,0,1]=4 2993 B8R1.18 CC1NC(=O)OC1C Amb25747248 [0,0,0,1,0,0|1,0,0]=2 2994 B8R1.18 CC1NC(=S)OC1C Amb28123435 [0,0,0,1,0,0|1,1,0]=3 2995 B8R1.18 CC1NC(=S)SC1C Amb27468341 [0,0,0,1,0,0|1,2,0]=4 2996 B8R1.18 CC1OC(=O)C=C1N Amb27838294 [0,0,0,1,0,0|1,0,2]=4 2997 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [0,0,0,1,0,0|1,0,1]=3 2998 B8R1.18 CC1OC(=O)NC1=O Amb24357861 [0,0,0,1,0,0|2,0,1]=4 2999 B8R1.18 CC1OC(=O)OC1=O Amb28315579 [0,0,0,1,0,0|2,0,1]=4 3000 B8R1.18 CC1OC(=O)OC1C Amb27485944 [0,0,0,1,0,0|1,0,0]=2 3001 B8R1.18 CC1OS(=O)OC1C Amb25997586 [0,0,0,1,0,0|2,0,0]=3 3002 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [0,0,0,1,0,0|2,0,1]=4 3003 B8R1.18 C[C@@H]1CC(=O)C[C@H]1C Amb24470272 [0,0,0,1,0,0|1,0,0]=2 3004 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,0,0,1,0,0|1,0,1]=3 3005 B8R1.18 C[C@@H]1C[C@@H](C)C(O)O1 Amb27430981 [0,0,0,1,0,0|2,0,1]=4 3006 B8R1.18 C[C@@H]1N=C(N)S[C@H]1C Amb25919449 [0,0,0,1,0,0|2,1,0]=4 3007 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [0,0,0,1,0,0|2,0,1]=4 3008 B8R1.18 C[C@@H]1NC(=O)OC1=O Amb2689575 [0,0,0,1,0,0|2,0,1]=4 3009 B8R1.18 C[C@@H]1NC(=O)O[C@@H]1C Amb28132650 [0,0,0,1,0,0|1,0,0]=2 3010 B8R1.18 C[C@@H]1NC(=O)S[C@H]1C Amb27420158 [0,0,0,1,0,0|1,1,0]=3 3011 B8R1.18 C[C@@H]1OC(=O)C[C@H]1Cl Amb27252234 [0,0,0,1,0,0|1,0,0]=2 3012 B8R1.18 C[C@@H]1OC(O)C[C@H]1C Amb27432218 [0,0,0,1,0,0|0,0,2]=3 3013 B8R1.18 C[C@@H]1O[C@H](O)C[C@H]1C Amb27215270 [0,0,0,1,0,0|0,0,2]=3 3014 B8R1.18 C[C@H]1CC(=O)C[C@H]1C Amb22230244 [0,0,0,1,0,0|1,0,0]=2 3015 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [0,0,0,1,0,0|2,0,1]=4 3016 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [0,0,0,1,0,0|1,0,1]=3 3017 B8R1.18 C[C@H]1CC(=O)O[C@H]1C Amb27471867 [0,0,0,1,0,0|0,0,0]=1 3018 B8R1.18 C[C@H]1CC(O)O[C@H]1C Amb28321291 [0,0,0,1,0,0|0,0,2]=3 3019 B8R1.18 C[C@H]1C[C@@H](O)C[C@H]1C Amb27659843 [0,0,0,1,0,0|1,0,1]=3 3020 B8R1.18 C[C@H]1C[C@H](C)[C@H](C)C1 Amb27254053 [0,0,0,1,0,0|2,0,1]=4 3021 B8R1.18 C[C@H]1C[C@H](O)C[C@H]1C Amb27946955 [0,0,0,1,0,0|1,0,1]=3 3022 B8R1.18 C[C@H]1NC(=N)O[C@@H]1C Amb27420136 [0,0,0,1,0,0|2,0,0]=3 3023 B8R1.18 C[C@H]1NC(=O)C[C@@H]1O Amb28128239 [0,0,0,1,0,0|2,0,0]=3 3024 B8R1.18 C[C@H]1NC(=O)C[C@@H]1S Amb28388503 [0,0,0,1,0,0|2,0,0]=3 3025 B8R1.18 C[C@H]1NC(=O)C[C@H]1O Amb28131156 [0,0,0,1,0,0|2,0,0]=3 3026 B8R1.18 C[C@H]1NC(=O)C[C@H]1S Amb27621424 [0,0,0,1,0,0|2,0,0]=3 3027 B8R1.18 C[C@H]1NC(=O)OC1=O Amb2689574 [0,0,0,1,0,0|2,0,1]=4 3028 B8R1.18 C[C@H]1NC(=S)N[C@@H]1C Amb25203822 [0,0,0,1,0,0|2,1,0]=4 3029 B8R1.18 C[C@H]1OC(=O)C[C@@H]1N Amb27973900 [0,0,0,1,0,0|1,0,0]=2 3030 B8R1.18 C[C@H]1OC(=O)C[C@H]1O Amb27775518 [0,0,0,1,0,0|1,0,0]=2 3031 B8R1.18 NC1CC(=O)CC1N Amb27486601 [0,0,0,1,0,0|3,0,0]=4 3032 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [0,0,0,1,0,0|2,0,1]=4 3033 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [0,0,0,1,0,0|2,0,1]=4 3034 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [0,0,0,1,0,0|2,0,1]=4 3035 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,0,0,1,0,0|2,0,1]=4 3036 B8R1.18 N[C@H]1CC(=O)O[C@H]1O Amb28196677 [0,0,0,1,0,0|2,0,0]=3 3037 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [0,0,0,1,0,0|2,0,1]=4 3038 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [0,0,0,1,0,0|2,0,1]=4 3039 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [0,0,0,1,0,0|2,0,1]=4 3040 B8R1.18 O=C1C[C@@H](O)[C@H](O)C1 Amb27841798 [0,0,0,1,0,0|3,0,0]=4 3041 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [0,0,0,1,0,0|2,0,1]=4 3042 B8R1.18 O=C1OC(Cl)C(Cl)O1 Amb20670724 [0,0,0,1,0,0|3,0,0]=4 3043 B8R1.18 O=C1O[C@@H](Cl)[C@H](Cl)O1 Amb25061412 [0,0,0,1,0,0|3,0,0]=4 3044 B8R1.20 C=C1CC1CC(=O)O Amb25870954 [0,0,0,1,0,0|0,0,2]=3 3045 B8R1.20 C=C1CC1CC(C)=O Amb28326031 [0,0,0,1,0,0|1,0,2]=4 3046 B8R1.20 C=C1CC1CC(N)=O Amb25138537 [0,0,0,1,0,0|1,0,2]=4 3047 B8R1.20 CC(=O)CC1CC1C Amb26916692 [0,0,0,1,0,0|1,0,0]=2 3048 B8R1.20 CC(=O)CC1OC1C Amb27767850 [0,0,0,1,0,0|2,0,0]=3 3049 B8R1.20 CC(=O)C[C@H]1C[C@H]1C Amb28121459 [0,0,0,1,0,0|1,0,0]=2 3050 B8R1.20 CC(=O)NC1CC1N Amb32663550 [0,0,0,1,0,0|3,0,0]=4 3051 B8R1.20 CC(=O)NC1CC1N Amb9457357 [0,0,0,1,0,0|3,0,0]=4 3052 B8R1.20 CC(=O)N[C@@H]1C[C@H]1N Amb32664511 [0,0,0,1,0,0|3,0,0]=4 3053 B8R1.20 CC(=O)N[C@@H]1C[C@H]1N Amb32664512 [0,0,0,1,0,0|3,0,0]=4 3054 B8R1.20 CC(Br)CC1CC1C Amb33433867 [0,0,0,1,0,0|2,0,1]=4 3055 B8R1.20 CC(O)CC1CC1C Amb28284530 [0,0,0,1,0,0|1,0,1]=3 3056 B8R1.20 CC(O)CC1OC1C Amb27763687 [0,0,0,1,0,0|2,0,1]=4 3057 B8R1.20 CC(O)C[C@@H]1C[C@H]1C Amb27456742 [0,0,0,1,0,0|1,0,1]=3 3058 B8R1.20 CC(O)C[C@@H]1O[C@@H]1C Amb27852494 [0,0,0,1,0,0|2,0,1]=4 3059 B8R1.20 CC(O)C[C@@H]1O[C@H]1C Amb28197530 [0,0,0,1,0,0|2,0,1]=4 3060 B8R1.20 CC(O)C[C@H]1O[C@H]1C Amb27220288 [0,0,0,1,0,0|2,0,1]=4 3061 B8R1.20 CC1CC1CC(=N)N Amb33144831 [0,0,0,1,0,0|2,0,0]=3 3062 B8R1.20 CC1CC1CC(=O)O Amb25316515 [0,0,0,1,0,0|0,0,0]=1 3063 B8R1.20 CC1CC1CC(N)=S Amb33144881 [0,0,0,1,0,0|1,1,0]=3 3064 B8R1.20 CC1CC1CN(C)O Amb33145039 [0,0,0,1,0,0|2,0,0]=3 3065 B8R1.20 CC1CC1C[C@@H](C)N Amb33144899 [0,0,0,1,0,0|2,0,1]=4 3066 B8R1.20 CC1CC1C[C@@H](C)O Amb33144240 [0,0,0,1,0,0|1,0,1]=3 3067 B8R1.20 CC1CC1C[C@H](C)N Amb33144898 [0,0,0,1,0,0|2,0,1]=4 3068 B8R1.20 CC1CC1C[C@H](C)O Amb33144242 [0,0,0,1,0,0|1,0,1]=3 3069 B8R1.20 CC1CC1C[N+](=O)[O-] Amb33144229 [0,0,0,1,0,0|1,0,1]=3 3070 B8R1.20 CC1CC1NC(=O)Cl Amb35625773 [0,0,0,1,0,0|2,0,0]=3 3071 B8R1.20 CC1CC1NC(N)=S Amb25361754 [0,0,0,1,0,0|2,1,0]=4 3072 B8R1.20 CC1C\C1=C/C(=O)O Amb25256441 [0,0,0,1,0,0|0,0,2]=3 3073 B8R1.20 C[C@@H]1C[C@H]1CB(O)O Amb27448502 [0,0,0,1,0,0|1,0,1]=3 3074 B8R1.20 C[C@@H]1C[C@H]1CC(=O)O Amb28058267 [0,0,0,1,0,0|0,0,0]=1 3075 B8R1.20 C[C@@H]1C[C@H]1NC(N)=O Amb28059830 [0,0,0,1,0,0|2,0,0]=3 3076 B8R1.20 NC1CC1CC(=O)O Amb27201670 [0,0,0,1,0,0|1,0,0]=2 3077 B8R1.20 N[C@@H]1C[C@H]1CC(=O)O Amb27252154 [0,0,0,1,0,0|1,0,0]=2 3078 B8R1.20 O=C(O)CC1CC1O Amb27981662 [0,0,0,1,0,0|1,0,0]=2 3079 B8R1.31 C=C(C)C1CCC1O Amb25993078 [0,0,0,1,0,0|3,0,0]=4 3080 B8R1.31 C=C1CCC1C(=O)O Amb28281144 [0,0,0,1,0,0|0,0,2]=3 3081 B8R1.31 CC(=O)C1=C(C)CC1 Amb28316170 [0,0,0,1,0,0|1,0,2]=4 3082 B8R1.31 CC(=O)C1CCC1=O Amb26910118 [0,0,0,1,0,0|2,0,1]=4 3083 B8R1.31 CC(=O)C1CCC1O Amb33213172 [0,0,0,1,0,0|2,0,0]=3 3084 B8R1.31 CC(=O)N1CCC1C Amb27603227 [0,0,0,1,0,0|2,0,0]=3 3085 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C Amb26866992 [0,0,0,1,0,0|1,0,0]=2 3086 B8R1.31 CC(=O)[C@H]1CC[C@H]1C Amb26361346 [0,0,0,1,0,0|1,0,0]=2 3087 B8R1.31 CC(O)C1CCC1F Amb34153521 [0,0,0,1,0,0|2,0,1]=4 3088 B8R1.31 CC1CCC1C(=N)N Amb35745182 [0,0,0,1,0,0|2,0,0]=3 3089 B8R1.31 CC1CCC1C(=O)O Amb21857447 [0,0,0,1,0,0|0,0,0]=1 3090 B8R1.31 CC1NCC1C(=O)O Amb26984410 [0,0,0,1,0,0|1,0,0]=2 3091 B8R1.31 CN1CCC1C(=O)O Amb22011586 [0,0,0,1,0,0|1,0,0]=2 3092 B8R1.31 CN1CC[C@@H]1C(=O)O Amb24183372 [0,0,0,1,0,0|1,0,0]=2 3093 B8R1.31 CN1CC[C@H]1C(=O)O Amb24699921 [0,0,0,1,0,0|1,0,0]=2 3094 B8R1.31 C[C@@H]1CC[C@@H]1C(=O)O Amb28203929 [0,0,0,1,0,0|0,0,0]=1 3095 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb24597629 [0,0,0,1,0,0|1,0,0]=2 3096 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O Amb33620541 [0,0,0,1,0,0|1,0,0]=2 3097 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O Amb34913092 [0,0,0,1,0,0|1,0,0]=2 3098 B8R1.31 C[C@H]1CC[C@H]1C(N)=O Amb27237000 [0,0,0,1,0,0|1,0,0]=2 3099 B8R1.31 NC(=O)C1CCC1F Amb32943793 [0,0,0,1,0,0|2,0,0]=3 3100 B8R1.31 NC(=O)C1CCC1N Amb20248288 [0,0,0,1,0,0|2,0,0]=3 3101 B8R1.31 NC(=O)[C@@H]1CC[C@H]1N Amb27225132 [0,0,0,1,0,0|2,0,0]=3 3102 B8R1.31 NC1CCC1C(=O)O Amb26979562 [0,0,0,1,0,0|1,0,0]=2 3103 B8R1.31 NC1COC1C(=O)O Amb28428430 [0,0,0,1,0,0|2,0,0]=3 3104 B8R1.31 NN1CC[C@H]1C(=O)O Amb27261518 [0,0,0,1,0,0|2,0,0]=3 3105 B8R1.31 NS(=O)[C@@H]1CC[C@@H]1F Amb32720839 [0,0,0,1,0,0|3,0,0]=4 3106 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24117048 [0,0,0,1,0,0|1,0,0]=2 3107 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O Amb24183584 [0,0,0,1,0,0|1,0,0]=2 3108 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb25976891 [0,0,0,1,0,0|1,0,0]=2 3109 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Amb31291972 [0,0,0,1,0,0|1,0,0]=2 3110 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Amb24681491 [0,0,0,1,0,0|2,0,0]=3 3111 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb27187220 [0,0,0,1,0,0|1,0,0]=2 3112 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O Amb33805288 [0,0,0,1,0,0|1,0,0]=2 3113 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb25911896 [0,0,0,1,0,0|1,0,0]=2 3114 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Amb33801366 [0,0,0,1,0,0|1,0,0]=2 3115 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Amb25324265 [0,0,0,1,0,0|2,0,0]=3 3116 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Amb25929776 [0,0,0,1,0,0|2,0,0]=3 3117 B8R1.31 O=C(O)C1=C(Br)CC1 Amb28454412 [0,0,0,1,0,0|1,0,2]=4 3118 B8R1.31 O=C(O)C1=C(Cl)CC1 Amb33609521 [0,0,0,1,0,0|1,0,2]=4 3119 B8R1.31 O=C(O)C1C=CC1Br Amb27220099 [0,0,0,1,0,0|1,0,2]=4 3120 B8R1.31 O=C(O)C1C=CC1O Amb27475863 [0,0,0,1,0,0|1,0,2]=4 3121 B8R1.31 O=C(O)C1CCC1Cl Amb27490061 [0,0,0,1,0,0|1,0,0]=2 3122 B8R1.31 O=C(O)C1CCC1F Amb27835547 [0,0,0,1,0,0|1,0,0]=2 3123 B8R1.31 O=C(O)C1CCC1O Amb24481384 [0,0,0,1,0,0|1,0,0]=2 3124 B8R1.31 O=C(O)C1CNC1=O Amb24524290 [0,0,0,1,0,0|2,0,1]=4 3125 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O Amb27619188 [0,0,0,1,0,0|1,0,0]=2 3126 B8R1.31 O=C(O)[C@@H]1CNC1=O Amb26452604 [0,0,0,1,0,0|2,0,1]=4 3127 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O Amb34913090 [0,0,0,1,0,0|1,0,0]=2 3128 B8R1.31 O=C(O)[C@H]1CNC1=O Amb34146450 [0,0,0,1,0,0|2,0,1]=4 3129 B8R1.31 O=S(Cl)[C@@H]1CC[C@@H]1F Amb32720881 [0,0,0,1,0,0|3,0,0]=4 3130 B8R1.31 O=S([O-])[C@@H]1CC[C@@H]1F Amb32755401 [0,0,0,1,0,0|2,0,1]=4 3131 B8R1.34 BrC(Br)=CC1CCC1 Amb28070853 [0,0,0,1,0,0|2,0,1]=4 3132 B8R1.34 C=C(C)CC1CNC1 Amb24576858 [0,0,0,1,0,0|3,0,0]=4 3133 B8R1.34 CC(=N)NC1CCC1 Amb28068644 [0,0,0,1,0,0|3,0,0]=4 3134 B8R1.34 CC(=O)CC1CCC1 Amb20668826 [0,0,0,1,0,0|1,0,0]=2 3135 B8R1.34 CC(=O)CC1CNC1 Amb26366652 [0,0,0,1,0,0|2,0,0]=3 3136 B8R1.34 CC(=O)CC1COC1 Amb22728373 [0,0,0,1,0,0|2,0,0]=3 3137 B8R1.34 CC(=O)NC1CNC1 Amb21960869 [0,0,0,1,0,0|3,0,0]=4 3138 B8R1.34 CC(=O)NC1CNC1 Amb8011307 [0,0,0,1,0,0|3,0,0]=4 3139 B8R1.34 CC(=O)NN1CCC1 Amb32674457 [0,0,0,1,0,0|3,0,0]=4 3140 B8R1.34 CC(=O)OC1CNC1 Amb21956164 [0,0,0,1,0,0|3,0,0]=4 3141 B8R1.34 CC(=O)OC1CNC1 Amb21959342 [0,0,0,1,0,0|3,0,0]=4 3142 B8R1.34 CC(=O)OC1CNC1 Amb30594705 [0,0,0,1,0,0|3,0,0]=4 3143 B8R1.34 CC(=O)OC1COC1 Amb25257353 [0,0,0,1,0,0|3,0,0]=4 3144 B8R1.34 CC(=O)SC1CNC1 Amb26017419 [0,0,0,1,0,0|3,0,0]=4 3145 B8R1.34 CC(=O)SC1CNC1 Amb34154195 [0,0,0,1,0,0|3,0,0]=4 3146 B8R1.34 CC(=O)SC1COC1 Amb28074762 [0,0,0,1,0,0|3,0,0]=4 3147 B8R1.34 CC(Br)CC1CCC1 Amb25335129 [0,0,0,1,0,0|2,0,1]=4 3148 B8R1.34 CC(C)CC1CCC1 Amb26550147 [0,0,0,1,0,0|2,0,1]=4 3149 B8R1.34 CC(Cl)CC1CCC1 Amb27262160 [0,0,0,1,0,0|2,0,1]=4 3150 B8R1.34 CC(N)CC1CCC1 Amb25368240 [0,0,0,1,0,0|2,0,1]=4 3151 B8R1.34 CC(N)CC1CCC1 Amb30585105 [0,0,0,1,0,0|2,0,1]=4 3152 B8R1.34 CC(O)CC1CCC1 Amb24590967 [0,0,0,1,0,0|1,0,1]=3 3153 B8R1.34 CC(O)CC1CNC1 Amb35622518 [0,0,0,1,0,0|2,0,1]=4 3154 B8R1.34 CC(O)CN1CCC1 Amb28048933 [0,0,0,1,0,0|2,0,1]=4 3155 B8R1.34 CC(S)CC1CCC1 Amb24421800 [0,0,0,1,0,0|1,1,1]=4 3156 B8R1.34 CN(C)CC1CCC1 Amb1779269 [0,0,0,1,0,0|3,0,0]=4 3157 B8R1.34 CN(O)CC1CCC1 Amb33195459 [0,0,0,1,0,0|2,0,0]=3 3158 B8R1.34 CS(=O)CC1CNC1 Amb26615132 [0,0,0,1,0,0|3,0,0]=4 3159 B8R1.34 CS(=O)CC1CNC1 Amb35752883 [0,0,0,1,0,0|3,0,0]=4 3160 B8R1.34 C[C@@H](N)CC1CCC1 Amb25873412 [0,0,0,1,0,0|2,0,1]=4 3161 B8R1.34 C[C@@H](O)CC1CCC1 Amb24673338 [0,0,0,1,0,0|1,0,1]=3 3162 B8R1.34 C[C@H](N)CC1CCC1 Amb24483051 [0,0,0,1,0,0|2,0,1]=4 3163 B8R1.34 C[C@H](O)CC1CCC1 Amb24719399 [0,0,0,1,0,0|1,0,1]=3 3164 B8R1.34 N=C(N)CC1CCC1 Amb25693457 [0,0,0,1,0,0|2,0,0]=3 3165 B8R1.34 N=C(N)CC1CCC1 Amb28934881 [0,0,0,1,0,0|2,0,0]=3 3166 B8R1.34 N=C(N)CN1CCC1 Amb27650462 [0,0,0,1,0,0|3,0,0]=4 3167 B8R1.34 N=C(N)NC1CCC1 Amb24433597 [0,0,0,1,0,0|3,0,0]=4 3168 B8R1.34 N=C(N)NC1CCC1 Amb33338855 [0,0,0,1,0,0|3,0,0]=4 3169 B8R1.34 NC(=O)CC1CNC1 Amb25890059 [0,0,0,1,0,0|2,0,0]=3 3170 B8R1.34 NC(=O)CC1CNC1 Amb28819957 [0,0,0,1,0,0|2,0,0]=3 3171 B8R1.34 NC(=O)NC1CCC1 Amb24692278 [0,0,0,1,0,0|2,0,0]=3 3172 B8R1.34 NC(=O)NC1CNC1 Amb27624358 [0,0,0,1,0,0|3,0,0]=4 3173 B8R1.34 NC(=O)NC1CNC1 Amb35745883 [0,0,0,1,0,0|3,0,0]=4 3174 B8R1.34 NC(=O)OC1CCC1 Amb27976028 [0,0,0,1,0,0|2,0,0]=3 3175 B8R1.34 NC(=O)OC1CNC1 Amb23598269 [0,0,0,1,0,0|3,0,0]=4 3176 B8R1.34 NC(=O)OC1CNC1 Amb33329462 [0,0,0,1,0,0|3,0,0]=4 3177 B8R1.34 NC(=O)OC1CSC1 Amb22364584 [0,0,0,1,0,0|3,0,0]=4 3178 B8R1.34 NC(=S)CC1CCC1 Amb28456182 [0,0,0,1,0,0|1,1,0]=3 3179 B8R1.34 NC(=S)NC1CCC1 Amb33530393 [0,0,0,1,0,0|2,1,0]=4 3180 B8R1.34 NC(N)=NC1CCC1 Amb33551765 [0,0,0,1,0,0|3,0,0]=4 3181 B8R1.34 NS(=O)CC1CCC1 Amb32720398 [0,0,0,1,0,0|2,0,0]=3 3182 B8R1.34 O=C(Cl)CC1CCC1 Amb22491179 [0,0,0,1,0,0|1,0,0]=2 3183 B8R1.34 O=C(Cl)NC1CCC1 Amb35625531 [0,0,0,1,0,0|2,0,0]=3 3184 B8R1.34 O=C(Cl)OC1CCC1 Amb33532032 [0,0,0,1,0,0|2,0,0]=3 3185 B8R1.34 O=C(Cl)OC1COC1 Amb28048913 [0,0,0,1,0,0|3,0,0]=4 3186 B8R1.34 O=C(O)C=C1CCC1 Amb20667794 [0,0,0,1,0,0|0,0,2]=3 3187 B8R1.34 O=C(O)C=C1CNC1 Amb27255049 [0,0,0,1,0,0|1,0,2]=4 3188 B8R1.34 O=C(O)C=C1CNC1 Amb34150330 [0,0,0,1,0,0|1,0,2]=4 3189 B8R1.34 O=C(O)C=C1COC1 Amb26866250 [0,0,0,1,0,0|1,0,2]=4 3190 B8R1.34 O=C(O)C=C1CSC1 Amb24379733 [0,0,0,1,0,0|1,0,2]=4 3191 B8R1.34 O=C(O)CC1CCC1 Amb2696078 [0,0,0,1,0,0|0,0,0]=1 3192 B8R1.34 O=C(O)CC1CCN1 Amb25068427 [0,0,0,1,0,0|1,0,0]=2 3193 B8R1.34 O=C(O)CC1CCO1 Amb28136625 [0,0,0,1,0,0|1,0,0]=2 3194 B8R1.34 O=C(O)CC1CNC1 Amb21856240 [0,0,0,1,0,0|1,0,0]=2 3195 B8R1.34 O=C(O)CC1CNC1 Amb22057370 [0,0,0,1,0,0|1,0,0]=2 3196 B8R1.34 O=C(O)CC1CNC1 Amb22739043 [0,0,0,1,0,0|1,0,0]=2 3197 B8R1.34 O=C(O)CC1COC1 Amb18199145 [0,0,0,1,0,0|1,0,0]=2 3198 B8R1.34 O=C(O)CC1CSC1 Amb26049907 [0,0,0,1,0,0|1,0,0]=2 3199 B8R1.34 O=C(O)CN1CCC1 Amb28934892 [0,0,0,1,0,0|1,0,0]=2 3200 B8R1.34 O=C(O)C[C@@H]1CCO1 Amb33715997 [0,0,0,1,0,0|1,0,0]=2 3201 B8R1.34 O=C(O)C[C@H]1CCO1 Amb26570015 [0,0,0,1,0,0|1,0,0]=2 3202 B8R1.34 O=C([O-])CC1COC1 Amb32664987 [0,0,0,1,0,0|1,0,1]=3 3203 B8R1.34 O=S(Cl)CC1CCC1 Amb27266105 [0,0,0,1,0,0|2,0,0]=3 3204 B8R1.34 O=S(O)CC1CCC1 Amb27426399 [0,0,0,1,0,0|1,0,0]=2 3205 B8R1.34 O=S([O-])CC1CCC1 Amb28194022 [0,0,0,1,0,0|1,0,1]=3 3206 B8R1.34 O=S([O-])CC1CNC1 Amb32755470 [0,0,0,1,0,0|2,0,1]=4 3207 B8R1.34 O=[N+]([O-])CC1CCC1 Amb33195476 [0,0,0,1,0,0|1,0,1]=3 3208 B8R1.34 O=[N+]([O-])CC1COC1 Amb21961002 [0,0,0,1,0,0|2,0,1]=4 3209 B8R1.34 O=[N+]([O-])CC1CSC1 Amb27836157 [0,0,0,1,0,0|2,0,1]=4 3210 B8R1.40 CCC(C)CC1CO1 Amb26349228 [0,0,0,1,0,0|1,0,1]=3 3211 B8R1.40 CCN(C)CC1CO1 Amb8890759 [0,0,0,1,0,0|2,0,1]=4 3212 B8R1.42 C=C(C)CC1(N)CC1 Amb30030892 [0,0,0,1,0,0|3,0,0]=4 3213 B8R1.42 C=C(C)CC1(O)CC1 Amb33199209 [0,0,0,1,0,0|3,0,0]=4 3214 B8R1.42 CC(=O)CC1(C)CC1 Amb10607353 [0,0,0,1,0,0|1,0,0]=2 3215 B8R1.42 CC(=O)CC1(N)CC1 Amb28073167 [0,0,0,1,0,0|2,0,0]=3 3216 B8R1.42 CC(=O)NC1(O)CC1 Amb27793388 [0,0,0,1,0,0|3,0,0]=4 3217 B8R1.42 CC(=O)OC1(C)CC1 Amb10069988 [0,0,0,1,0,0|2,0,0]=3 3218 B8R1.42 CC(Br)CC1(C)CC1 Amb33332243 [0,0,0,1,0,0|2,0,1]=4 3219 B8R1.42 CC(N)CC1(C)CC1 Amb26404703 [0,0,0,1,0,0|2,0,1]=4 3220 B8R1.42 CC(O)CC1(C)CC1 Amb26370449 [0,0,0,1,0,0|1,0,1]=3 3221 B8R1.42 CC(O)CC1(N)CC1 Amb18833015 [0,0,0,1,0,0|2,0,1]=4 3222 B8R1.42 CC1(CC(=N)N)CC1 Amb33312229 [0,0,0,1,0,0|2,0,0]=3 3223 B8R1.42 CC1(CC(=O)O)CC1 Amb33544283 [0,0,0,1,0,0|0,0,0]=1 3224 B8R1.42 CC1(CC(=O)O)N=N1 Amb27424155 [0,0,0,1,0,0|2,0,0]=3 3225 B8R1.42 CC1(CC(N)=S)CC1 Amb33312228 [0,0,0,1,0,0|1,1,0]=3 3226 B8R1.42 CC1(CS(=O)Cl)CC1 Amb32720396 [0,0,0,1,0,0|2,0,0]=3 3227 B8R1.42 CC1(CS(=O)[O-])CC1 Amb32755200 [0,0,0,1,0,0|1,0,1]=3 3228 B8R1.42 CC1(CS(N)=O)CC1 Amb32720397 [0,0,0,1,0,0|2,0,0]=3 3229 B8R1.42 CC1(C[N+](=O)[O-])CC1 Amb33312921 [0,0,0,1,0,0|1,0,1]=3 3230 B8R1.42 CC1(NC(=O)Cl)CC1 Amb35625910 [0,0,0,1,0,0|2,0,0]=3 3231 B8R1.42 CC1(OC(=O)Cl)CC1 Amb28430543 [0,0,0,1,0,0|2,0,0]=3 3232 B8R1.42 CN(N)CC1(C)CC1 Amb35727412 [0,0,0,1,0,0|3,0,0]=4 3233 B8R1.42 CN(O)CC1(C)CC1 Amb33313346 [0,0,0,1,0,0|2,0,0]=3 3234 B8R1.42 C[C@@H](N)CC1(C)CC1 Amb33312935 [0,0,0,1,0,0|2,0,1]=4 3235 B8R1.42 C[C@@H](O)CC1(C)CC1 Amb33312934 [0,0,0,1,0,0|1,0,1]=3 3236 B8R1.42 C[C@H](N)CC1(C)CC1 Amb33313109 [0,0,0,1,0,0|2,0,1]=4 3237 B8R1.42 C[C@H](O)CC1(C)CC1 Amb33312928 [0,0,0,1,0,0|1,0,1]=3 3238 B8R1.42 C[C@H](O)C[C@]1(C)CO1 Amb27775892 [0,0,0,1,0,0|2,0,1]=4 3239 B8R1.42 NC(=O)CC1(N)CC1 Amb26530454 [0,0,0,1,0,0|2,0,0]=3 3240 B8R1.42 NC1(CC(=O)O)CC1 Amb18833024 [0,0,0,1,0,0|1,0,0]=2 3241 B8R1.42 NC1(CC(=O)O)CC1 Amb33550832 [0,0,0,1,0,0|1,0,0]=2 3242 B8R1.42 NC1(C[SH](=O)=O)CC1 Amb28245479 [0,0,0,1,0,0|2,0,1]=4 3243 B8R1.42 NS(=O)CC1(F)CC1 Amb32720908 [0,0,0,1,0,0|3,0,0]=4 3244 B8R1.42 O=C(O)CC1(Br)CC1 Amb27261767 [0,0,0,1,0,0|1,0,0]=2 3245 B8R1.42 O=C(O)CC1(Cl)CC1 Amb35743975 [0,0,0,1,0,0|1,0,0]=2 3246 B8R1.42 O=C(O)CC1(F)CC1 Amb28434812 [0,0,0,1,0,0|1,0,0]=2 3247 B8R1.42 O=C(O)CC1(O)CC1 Amb24117238 [0,0,0,1,0,0|1,0,0]=2 3248 B8R1.42 O=S(Cl)CC1(F)CC1 Amb32720926 [0,0,0,1,0,0|3,0,0]=4 3249 B8R1.42 O=S([O-])CC1(F)CC1 Amb32755414 [0,0,0,1,0,0|2,0,1]=4 3250 B8R1.43 C#CC1CC1C(=O)O Amb27398329 [0,0,0,1,0,0|0,0,2]=3 3251 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O Amb24076488 [0,0,0,1,0,0|0,0,2]=3 3252 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O Amb28073511 [0,0,0,1,0,0|0,0,2]=3 3253 B8R1.43 C=C(C)C1CC1CN Amb33199508 [0,0,0,1,0,0|3,0,0]=4 3254 B8R1.43 C=C(C)C1CC1CO Amb27197103 [0,0,0,1,0,0|3,0,0]=4 3255 B8R1.43 C=C(C)[C@@H]1C[C@H]1CN Amb33199509 [0,0,0,1,0,0|3,0,0]=4 3256 B8R1.43 C=C(C)[C@H]1C[C@@H]1CO Amb28065860 [0,0,0,1,0,0|3,0,0]=4 3257 B8R1.43 C=CC1CC1C(C)=O Amb28075229 [0,0,0,1,0,0|1,0,2]=4 3258 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O Amb28347448 [0,0,0,1,0,0|0,0,2]=3 3259 B8R1.43 C=C[C@@H]1C[C@H]1C(C)=O Amb27420181 [0,0,0,1,0,0|1,0,2]=4 3260 B8R1.43 CC(=O)C1CC1C=O Amb27809942 [0,0,0,1,0,0|2,0,1]=4 3261 B8R1.43 CC(=O)C1CC1CN Amb33132446 [0,0,0,1,0,0|2,0,0]=3 3262 B8R1.43 CC(=O)[C@@H]1C[C@@H]1CN Amb33132469 [0,0,0,1,0,0|2,0,0]=3 3263 B8R1.43 CC(=O)[C@@H]1C[C@@H]1CO Amb28074697 [0,0,0,1,0,0|2,0,0]=3 3264 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N Amb28062975 [0,0,0,1,0,0|2,0,1]=4 3265 B8R1.43 CC(=O)[C@@H]1C[C@H]1CCl Amb27447264 [0,0,0,1,0,0|2,0,0]=3 3266 B8R1.43 CC(=O)[C@@H]1C[C@H]1CO Amb26561383 [0,0,0,1,0,0|2,0,0]=3 3267 B8R1.43 CC(=O)[C@H]1C[C@H]1C=O Amb27186674 [0,0,0,1,0,0|2,0,1]=4 3268 B8R1.43 CC(O)C1CC1CO Amb27763793 [0,0,0,1,0,0|2,0,1]=4 3269 B8R1.43 CC(O)[C@@H]1C[C@@H]1CO Amb27215056 [0,0,0,1,0,0|2,0,1]=4 3270 B8R1.43 CCC1CC1C(=O)Cl Amb27778180 [0,0,0,1,0,0|1,0,0]=2 3271 B8R1.43 CCC1CC1C(=O)O Amb18961272 [0,0,0,1,0,0|0,0,0]=1 3272 B8R1.43 CCC1CC1[C@@H](C)O Amb28065226 [0,0,0,1,0,0|1,0,1]=3 3273 B8R1.43 CCC1OC1C(C)=O Amb27206899 [0,0,0,1,0,0|2,0,0]=3 3274 B8R1.43 CCC1OC1C(N)=O Amb27461385 [0,0,0,1,0,0|2,0,0]=3 3275 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Amb24112910 [0,0,0,1,0,0|0,0,0]=1 3276 B8R1.43 CC[C@@H]1O[C@@H]1C(=O)O Amb27855470 [0,0,0,1,0,0|1,0,0]=2 3277 B8R1.43 CC[C@@H]1O[C@@H]1C(C)=O Amb27854614 [0,0,0,1,0,0|2,0,0]=3 3278 B8R1.43 CC[C@H]1C[C@H]1C(=O)O Amb33098417 [0,0,0,1,0,0|0,0,0]=1 3279 B8R1.43 CC[C@H]1O[C@@H]1C(=O)O Amb27811556 [0,0,0,1,0,0|1,0,0]=2 3280 B8R1.43 CC[C@H]1O[C@H]1C(=O)O Amb27222314 [0,0,0,1,0,0|1,0,0]=2 3281 B8R1.43 COC1CC1C(=O)Cl Amb35717346 [0,0,0,1,0,0|2,0,0]=3 3282 B8R1.43 COC1CC1C(N)=O Amb35671242 [0,0,0,1,0,0|2,0,0]=3 3283 B8R1.43 CO[C@@H]1C[C@H]1C(=O)O Amb24514838 [0,0,0,1,0,0|1,0,0]=2 3284 B8R1.43 CO[C@@H]1C[C@H]1C(C)=O Amb27407296 [0,0,0,1,0,0|2,0,0]=3 3285 B8R1.43 CO[C@@H]1C[C@H]1C(C)O Amb27184522 [0,0,0,1,0,0|2,0,1]=4 3286 B8R1.43 C[C@@H](O)[C@H]1C[C@H]1CO Amb27213970 [0,0,0,1,0,0|2,0,1]=4 3287 B8R1.43 N#CC1CC1C(=O)O Amb24183452 [0,0,0,1,0,0|1,0,1]=3 3288 B8R1.43 N#C[C@@H]1C[C@@H]1C(=O)O Amb24183522 [0,0,0,1,0,0|1,0,1]=3 3289 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Amb24183456 [0,0,0,1,0,0|1,0,1]=3 3290 B8R1.43 N#C[C@H]1C[C@@H]1C(=O)O Amb33805321 [0,0,0,1,0,0|1,0,1]=3 3291 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Amb25168974 [0,0,0,1,0,0|1,0,1]=3 3292 B8R1.43 NC(=O)C1CC1CO Amb23538670 [0,0,0,1,0,0|2,0,0]=3 3293 B8R1.43 NCC1CC1C(=O)O Amb2694938 [0,0,0,1,0,0|1,0,0]=2 3294 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb24680970 [0,0,0,1,0,0|1,0,0]=2 3295 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O Amb32992808 [0,0,0,1,0,0|1,0,0]=2 3296 B8R1.43 NC[C@@H]1C[C@@H]1C(N)=O Amb33042252 [0,0,0,1,0,0|2,0,0]=3 3297 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Amb27205078 [0,0,0,1,0,0|1,0,0]=2 3298 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O Amb27252099 [0,0,0,1,0,0|1,0,0]=2 3299 B8R1.43 NC[C@H]1C[C@H]1C(=O)O Amb28069146 [0,0,0,1,0,0|1,0,0]=2 3300 B8R1.43 NNC1CC1C(=O)O Amb10576221 [0,0,0,1,0,0|2,0,0]=3 3301 B8R1.43 O=C(O)C1CC1CBr Amb27407770 [0,0,0,1,0,0|1,0,0]=2 3302 B8R1.43 O=C(O)C1CC1CCl Amb26895220 [0,0,0,1,0,0|1,0,0]=2 3303 B8R1.43 O=C(O)C1CC1CO Amb25173469 [0,0,0,1,0,0|1,0,0]=2 3304 B8R1.43 O=C(O)[C@@H]1C[C@@H]1CO Amb28198703 [0,0,0,1,0,0|1,0,0]=2 3305 B8R1.43 O=C(O)[C@@H]1C[C@H]1CBr Amb26552185 [0,0,0,1,0,0|1,0,0]=2 3306 B8R1.43 O=C(O)[C@@H]1C[C@H]1CF Amb33098414 [0,0,0,1,0,0|1,0,0]=2 3307 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO Amb25231147 [0,0,0,1,0,0|1,0,0]=2 3308 B8R1.43 O=C(O)[C@H]1C[C@H]1CO Amb26916980 [0,0,0,1,0,0|1,0,0]=2 3309 B8R1.43 O=C([O-])C1CC1CO Amb33534503 [0,0,0,1,0,0|1,0,1]=3 3310 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Amb35789135 [0,0,0,1,0,0|1,0,1]=3 3311 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Amb25911990 [0,0,0,1,0,0|1,0,1]=3 3312 B8R1.43 O=[N+]([O-])C1CC1CBr Amb32416244 [0,0,0,1,0,0|2,0,1]=4 3313 B8R1.43 OB(O)C1CC1CCl Amb27955519 [0,0,0,1,0,0|2,0,1]=4 3314 B8R1.51 CC1(O)CCC(N)C1 Amb24483255 [0,0,0,1,0,0|2,0,1]=4 3315 B8R1.51 CC1(O)CCC(N)C1 Amb33951111 [0,0,0,1,0,0|2,0,1]=4 3316 B8R1.51 CC1(O)CCC(O)C1 Amb27763253 [0,0,0,1,0,0|2,0,1]=4 3317 B8R1.51 CC1CC(C)(O)CO1 Amb35728712 [0,0,0,1,0,0|2,0,1]=4 3318 B8R1.51 CC1CCC(C)(N)C1 Amb26046406 [0,0,0,1,0,0|2,0,1]=4 3319 B8R1.51 CC1CCC(C)(O)C1 Amb26863470 [0,0,0,1,0,0|1,0,1]=3 3320 B8R1.51 CC1CCC(F)(F)C1 Amb32654498 [0,0,0,1,0,0|2,0,1]=4 3321 B8R1.51 CC1CCS(=O)(=O)C1 Amb2548451 [0,0,0,1,0,0|1,0,1]=3 3322 B8R1.51 CC1CCS(=O)(=O)N1 Amb24556783 [0,0,0,1,0,0|2,0,1]=4 3323 B8R1.51 CC1CCS(=O)(=O)O1 Amb26382065 [0,0,0,1,0,0|2,0,1]=4 3324 B8R1.51 CC1CNS(=O)(=O)C1 Amb24117862 [0,0,0,1,0,0|2,0,1]=4 3325 B8R1.51 NC1CCS(=O)(=O)C1 Amb1080886 [0,0,0,1,0,0|2,0,1]=4 3326 B8R1.51 NC1CCS(=O)(=O)C1 Amb1152771 [0,0,0,1,0,0|2,0,1]=4 3327 B8R1.51 NC1CCS(=O)(=O)C1 Amb8508170 [0,0,0,1,0,0|2,0,1]=4 3328 B8R1.51 NC1CC[S+](=O)([O-])C1 Amb17726901 [0,0,0,1,0,0|2,0,1]=4 3329 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 Amb33872364 [0,0,0,1,0,0|2,0,1]=4 3330 B8R1.51 N[C@H]1CCS(=O)(=O)C1 Amb30634357 [0,0,0,1,0,0|2,0,1]=4 3331 B8R1.51 O=S1(=O)CCC(Br)C1 Amb2813269 [0,0,0,1,0,0|2,0,1]=4 3332 B8R1.51 O=S1(=O)CCC(Cl)C1 Amb2598932 [0,0,0,1,0,0|2,0,1]=4 3333 B8R1.51 O=S1(=O)CCC(I)C1 Amb19517046 [0,0,0,1,0,0|2,0,1]=4 3334 B8R1.51 O=S1(=O)CCC(O)C1 Amb5716885 [0,0,0,1,0,0|2,0,1]=4 3335 B8R1.51 O=S1(=O)CCC(S)C1 Amb2796511 [0,0,0,1,0,0|2,0,1]=4 3336 B8R1.51 O=S1(=O)CCC([S-])C1 Amb18526895 [0,0,0,1,0,0|2,0,1]=4 3337 B8R1.51 O=S1(=O)CC[C@@H](O)C1 Amb27981301 [0,0,0,1,0,0|2,0,1]=4 3338 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 Amb2793187 [0,0,0,1,0,0|2,0,1]=4 3339 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 Amb3911968 [0,0,0,1,0,0|2,0,1]=4 3340 B8R1.53 CC1(O)CC(CN)C1 Amb28316232 [0,0,0,1,0,0|2,0,1]=4 3341 B8R1.53 CC1(O)CC(CN)C1 Amb34138133 [0,0,0,1,0,0|2,0,1]=4 3342 B8R1.53 CCN1CC(C)(O)C1 Amb27272763 [0,0,0,1,0,0|2,0,1]=4 3343 B8R1.53 CNC1CS(=O)(=O)C1 Amb24631404 [0,0,0,1,0,0|2,0,1]=4 3344 B8R1.53 CNC1CS(=O)(=O)C1 Amb32669028 [0,0,0,1,0,0|2,0,1]=4 3345 B8R1.53 COC1CC(C)(O)C1 Amb28046525 [0,0,0,1,0,0|2,0,1]=4 3346 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 Amb23440242 [0,0,0,1,0,0|2,0,1]=4 3347 B8R1.53 C[C@]1(O)C[C@H](CN)C1 Amb23440209 [0,0,0,1,0,0|2,0,1]=4 3348 B8R1.53 C[C@]1(O)C[C@H](CN)C1 Amb34193001 [0,0,0,1,0,0|2,0,1]=4 3349 B8R1.53 NCC1CS(=O)(=O)C1 Amb27641918 [0,0,0,1,0,0|2,0,1]=4 3350 B8R1.53 NCC1CS(=O)(=O)C1 Amb32664936 [0,0,0,1,0,0|2,0,1]=4 3351 B8R1.53 O=S1(=O)CC(CO)C1 Amb27669064 [0,0,0,1,0,0|2,0,1]=4 3352 B8R1.62 C=CC1(C)CC(=O)C1 Amb28200651 [0,0,0,1,0,0|1,0,2]=4 3353 B8R1.62 C=CC1(C)CC(=O)N1 Amb24347816 [0,0,0,1,0,0|1,0,2]=4 3354 B8R1.62 C=C[C@]1(C)CC(=O)N1 Amb27793340 [0,0,0,1,0,0|1,0,2]=4 3355 B8R1.62 CC1(C#N)CC(=O)C1 Amb25830064 [0,0,0,1,0,0|2,0,1]=4 3356 B8R1.62 CC1(CCl)CC(=O)N1 Amb27974580 [0,0,0,1,0,0|2,0,0]=3 3357 B8R1.62 CC1(CN)CC(O)C1 Amb33361268 [0,0,0,1,0,0|2,0,1]=4 3358 B8R1.62 CC1(CO)CC(=O)C1 Amb22406263 [0,0,0,1,0,0|2,0,0]=3 3359 B8R1.62 CC1CC(C)(CO)O1 Amb28249054 [0,0,0,1,0,0|2,0,1]=4 3360 B8R1.62 CCC1(C)CC(N)C1 Amb33331048 [0,0,0,1,0,0|2,0,1]=4 3361 B8R1.62 CCC1(C)CC(N)C1 Amb33331049 [0,0,0,1,0,0|2,0,1]=4 3362 B8R1.62 CCC1(F)CC(=O)C1 Amb28146639 [0,0,0,1,0,0|2,0,0]=3 3363 B8R1.62 CCC1(N)CC(O)C1 Amb33204301 [0,0,0,1,0,0|2,0,1]=4 3364 B8R1.62 O=C1CC(Cl)(CCl)O1 Amb27493123 [0,0,0,1,0,0|2,0,0]=3 3365 B8R1.67 C=C1C(C)C1C(=O)O Amb27985954 [0,0,0,1,0,0|0,0,2]=3 3366 B8R1.67 C=C1C(C)C1C(C)=O Amb26887809 [0,0,0,1,0,0|1,0,2]=4 3367 B8R1.67 CC(=O)C1C(C)=C1C Amb28145774 [0,0,0,1,0,0|1,0,2]=4 3368 B8R1.67 CC(=O)C1[C@H](C)[C@H]1C Amb25985971 [0,0,0,1,0,0|1,0,0]=2 3369 B8R1.67 CC(=O)[C@H]1[C@@H](Cl)[C@@H]1C Amb27865414 [0,0,0,1,0,0|2,0,0]=3 3370 B8R1.67 CC(=O)[C@H]1[C@H](C)[C@@H]1Br Amb27204152 [0,0,0,1,0,0|2,0,0]=3 3371 B8R1.67 CC(=O)[C@H]1[C@H](C)[C@H]1Cl Amb27880620 [0,0,0,1,0,0|2,0,0]=3 3372 B8R1.67 CC(O)[C@@H]1[C@@H](C)[C@H]1C Amb28321600 [0,0,0,1,0,0|1,0,1]=3 3373 B8R1.67 CC1=C(C)C1C(N)=O Amb27831562 [0,0,0,1,0,0|1,0,2]=4 3374 B8R1.67 CC1C(Cl)C1C(=O)O Amb32656377 [0,0,0,1,0,0|1,0,0]=2 3375 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C Amb25937319 [0,0,0,1,0,0|0,0,0]=1 3376 B8R1.67 C[C@@H]1[C@@H](N)[C@@H]1C(=O)O Amb28365983 [0,0,0,1,0,0|1,0,0]=2 3377 B8R1.67 O=C(O)C1C(Cl)C1Cl Amb25918156 [0,0,0,1,0,0|2,0,0]=3 3378 B8R1.83 CCC(C)C1CC1N Amb28344725 [0,0,0,1,0,0|2,0,1]=4 3379 B8R1.83 CCC(C)[C@@H]1C[C@H]1N Amb33373887 [0,0,0,1,0,0|2,0,1]=4 3380 B8R1.83 C[C@@H](CO)[C@@H]1O[C@@H]1C Amb27423180 [0,0,0,1,0,0|2,0,1]=4 3381 B6R0.3 C#CC(N)C(=O)O Amb28282694 [0,0,0,0,1,0|1,0,2]=4 3382 B6R0.3 C#CC(O)C(=O)O Amb22731622 [0,0,0,0,1,0|1,0,2]=4 3383 B6R0.3 C=C(Br)C(C)CC Amb22583745 [0,0,0,0,1,0|2,0,0]=3 3384 B6R0.3 C=C(Br)C(C)CO Amb27757394 [0,0,0,0,1,0|3,0,0]=4 3385 B6R0.3 C=C(C)C(C)CBr Amb27844717 [0,0,0,0,1,0|3,0,0]=4 3386 B6R0.3 C=C(C)C(C)CN Amb17593078 [0,0,0,0,1,0|3,0,0]=4 3387 B6R0.3 C=C(C)C(C)CO Amb24539367 [0,0,0,0,1,0|3,0,0]=4 3388 B6R0.3 C=C(C)C(Cl)CC Amb27229374 [0,0,0,0,1,0|3,0,0]=4 3389 B6R0.3 C=C(C)C(O)CC Amb26365874 [0,0,0,0,1,0|3,0,0]=4 3390 B6R0.3 C=C(C)[C@H](C)CO Amb28350373 [0,0,0,0,1,0|3,0,0]=4 3391 B6R0.3 C=C(CBr)C(=O)O Amb6296612 [0,0,0,0,1,0|1,0,2]=4 3392 B6R0.3 C=C(CC)C(=O)Cl Amb22353554 [0,0,0,0,1,0|1,0,2]=4 3393 B6R0.3 C=C(CC)C(=O)O Amb18639591 [0,0,0,0,1,0|0,0,2]=3 3394 B6R0.3 C=C(CCl)C(=O)O Amb27851591 [0,0,0,0,1,0|1,0,2]=4 3395 B6R0.3 C=C(CO)C(=O)O Amb18121817 [0,0,0,0,1,0|1,0,2]=4 3396 B6R0.3 C=C(CS)C(=O)O Amb27263242 [0,0,0,0,1,0|1,0,2]=4 3397 B6R0.3 C=C(I)C(C)CI Amb27858440 [0,0,0,0,1,0|3,0,0]=4 3398 B6R0.3 C=C(I)[C@H](C)CI Amb27646087 [0,0,0,0,1,0|3,0,0]=4 3399 B6R0.3 C=C(OC)C(=O)O Amb18639906 [0,0,0,0,1,0|1,0,2]=4 3400 B6R0.3 C=C(SC)C(=O)O Amb27882690 [0,0,0,0,1,0|1,0,2]=4 3401 B6R0.3 C=C=C(C)C(=O)O Amb17593066 [0,0,0,0,1,0|0,0,3]=4 3402 B6R0.3 C=CC(C)C(=O)O Amb21618706 [0,0,0,0,1,0|0,0,2]=3 3403 B6R0.3 C=CC(C)C(N)=O Amb27167730 [0,0,0,0,1,0|1,0,2]=4 3404 B6R0.3 C=CC(Cl)C(=O)O Amb27216715 [0,0,0,0,1,0|1,0,2]=4 3405 B6R0.3 C=CC(N)C(=O)O Amb20240543 [0,0,0,0,1,0|1,0,2]=4 3406 B6R0.3 C=CC(O)C(=O)O Amb24061247 [0,0,0,0,1,0|1,0,2]=4 3407 B6R0.3 C=CC(S)C(=O)O Amb28069741 [0,0,0,0,1,0|1,0,2]=4 3408 B6R0.3 C=C[C@@H](C)C(=O)O Amb26350417 [0,0,0,0,1,0|0,0,2]=3 3409 B6R0.3 C=C[C@@H](N)C(=O)O Amb22756048 [0,0,0,0,1,0|1,0,2]=4 3410 B6R0.3 C=C[C@H](C)C(=O)O Amb25929549 [0,0,0,0,1,0|0,0,2]=3 3411 B6R0.3 C=C[C@H](N)C(=O)O Amb2699113 [0,0,0,0,1,0|1,0,2]=4 3412 B6R0.3 CC(=O)C(Br)CBr Amb27597612 [0,0,0,0,1,0|3,0,0]=4 3413 B6R0.3 CC(=O)C(C)C#N Amb8847377 [0,0,0,0,1,0|2,0,1]=4 3414 B6R0.3 CC(=O)C(C)C=N Amb28199842 [0,0,0,0,1,0|2,0,1]=4 3415 B6R0.3 CC(=O)C(C)C=O Amb18639572 [0,0,0,0,1,0|2,0,1]=4 3416 B6R0.3 CC(=O)C(C)CCl Amb26477594 [0,0,0,0,1,0|2,0,0]=3 3417 B6R0.3 CC(=O)C(C)CO Amb10844844 [0,0,0,0,1,0|2,0,0]=3 3418 B6R0.3 CC(=O)C(Cl)CCl Amb27257955 [0,0,0,0,1,0|3,0,0]=4 3419 B6R0.3 CC(=O)C(O)CO Amb26463044 [0,0,0,0,1,0|3,0,0]=4 3420 B6R0.3 CC(=O)C([Na])CN Amb28423432 [0,0,0,0,1,0|3,0,0]=4 3421 B6R0.3 CC(=O)N(C)CO Amb28191296 [0,0,0,0,1,0|3,0,0]=4 3422 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [0,0,0,0,1,0|3,0,0]=4 3423 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [0,0,0,0,1,0|3,0,0]=4 3424 B6R0.3 CC(C#N)C(=O)O Amb17210512 [0,0,0,0,1,0|1,0,1]=3 3425 B6R0.3 CC(C=O)C(=O)O Amb27784775 [0,0,0,0,1,0|1,0,1]=3 3426 B6R0.3 CC(C=O)C(=O)[Na] Amb27439065 [0,0,0,0,1,0|2,0,1]=4 3427 B6R0.3 CC(CBr)C(=O)O Amb22002601 [0,0,0,0,1,0|1,0,0]=2 3428 B6R0.3 CC(CCl)C(=O)O Amb18522181 [0,0,0,0,1,0|1,0,0]=2 3429 B6R0.3 CC(CCl)[N+](=O)[O-] Amb27655880 [0,0,0,0,1,0|2,0,1]=4 3430 B6R0.3 CC(CF)C(=O)O Amb24432331 [0,0,0,0,1,0|1,0,0]=2 3431 B6R0.3 CC(CN)C(=N)N Amb28282121 [0,0,0,0,1,0|3,0,0]=4 3432 B6R0.3 CC(CN)C(=O)O Amb2699128 [0,0,0,0,1,0|1,0,0]=2 3433 B6R0.3 CC(CN)C(=O)O Amb6773978 [0,0,0,0,1,0|1,0,0]=2 3434 B6R0.3 CC(CN)C(=O)O Amb8631418 [0,0,0,0,1,0|1,0,0]=2 3435 B6R0.3 CC(CN)S(C)=O Amb22157251 [0,0,0,0,1,0|3,0,0]=4 3436 B6R0.3 CC(CO)C(=O)O Amb8011522 [0,0,0,0,1,0|1,0,0]=2 3437 B6R0.3 CC(CO)C(N)=S Amb8869143 [0,0,0,0,1,0|2,1,0]=4 3438 B6R0.3 CC(CO)[N+](=O)[O-] Amb17600148 [0,0,0,0,1,0|2,0,1]=4 3439 B6R0.3 CC(N=O)C(N)=O Amb26600137 [0,0,0,0,1,0|3,0,0]=4 3440 B6R0.3 CC(NN)C(=O)O Amb18640367 [0,0,0,0,1,0|2,0,0]=3 3441 B6R0.3 CC(O)C(C)CN Amb10068614 [0,0,0,0,1,0|2,0,1]=4 3442 B6R0.3 CC(O)C(C)CO Amb4019853 [0,0,0,0,1,0|2,0,1]=4 3443 B6R0.3 CC(O)C(C)CS Amb24334206 [0,0,0,0,1,0|2,0,1]=4 3444 B6R0.3 CC(ON)C(=O)O Amb33038242 [0,0,0,0,1,0|2,0,0]=3 3445 B6R0.3 CC(ON)C(N)=O Amb28318742 [0,0,0,0,1,0|3,0,0]=4 3446 B6R0.3 CCC(=O)C(=O)Cl Amb27838251 [0,0,0,0,1,0|2,0,1]=4 3447 B6R0.3 CCC(=O)C(=O)O Amb3940359 [0,0,0,0,1,0|1,0,1]=3 3448 B6R0.3 CCC(=O)C(=O)[O-] Amb9825450 [0,0,0,0,1,0|1,0,2]=4 3449 B6R0.3 CCC(=O)C(C)=O Amb8514604 [0,0,0,0,1,0|2,0,1]=4 3450 B6R0.3 CCC(=O)C(N)=O Amb22011827 [0,0,0,0,1,0|2,0,1]=4 3451 B6R0.3 CCC(=S)C(=O)O Amb27872099 [0,0,0,0,1,0|1,0,1]=3 3452 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [0,0,0,0,1,0|2,0,0]=3 3453 B6R0.3 CCC(Br)C(=O)Cl Amb17666758 [0,0,0,0,1,0|2,0,0]=3 3454 B6R0.3 CCC(Br)C(=O)O Amb5716858 [0,0,0,0,1,0|1,0,0]=2 3455 B6R0.3 CCC(Br)C(C)=O Amb24615269 [0,0,0,0,1,0|2,0,0]=3 3456 B6R0.3 CCC(Br)C(N)=O Amb13952819 [0,0,0,0,1,0|2,0,0]=3 3457 B6R0.3 CCC(Br)[N+](=O)[O-] Amb17673702 [0,0,0,0,1,0|2,0,1]=4 3458 B6R0.3 CCC(C)=C(C)C Amb4017694 [0,0,0,0,1,0|2,0,1]=4 3459 B6R0.3 CCC(C)B(O)O Amb10071974 [0,0,0,0,1,0|1,0,1]=3 3460 B6R0.3 CCC(C)C(=N)N Amb6740564 [0,0,0,0,1,0|2,0,0]=3 3461 B6R0.3 CCC(C)C(=N)N Amb8630181 [0,0,0,0,1,0|2,0,0]=3 3462 B6R0.3 CCC(C)C(=O)Cl Amb3939259 [0,0,0,0,1,0|1,0,0]=2 3463 B6R0.3 CCC(C)C(=O)O Amb9703224 [0,0,0,0,1,0|0,0,0]=1 3464 B6R0.3 CCC(C)C(C)=O Amb4605996 [0,0,0,0,1,0|1,0,0]=2 3465 B6R0.3 CCC(C)C(C)Br Amb33535756 [0,0,0,0,1,0|2,0,1]=4 3466 B6R0.3 CCC(C)C(C)Cl Amb26048581 [0,0,0,0,1,0|2,0,1]=4 3467 B6R0.3 CCC(C)C(C)I Amb28388683 [0,0,0,0,1,0|2,0,1]=4 3468 B6R0.3 CCC(C)C(C)N Amb19338145 [0,0,0,0,1,0|2,0,1]=4 3469 B6R0.3 CCC(C)C(C)N Amb6718928 [0,0,0,0,1,0|2,0,1]=4 3470 B6R0.3 CCC(C)C(C)O Amb8513435 [0,0,0,0,1,0|1,0,1]=3 3471 B6R0.3 CCC(C)C(C)S Amb25354585 [0,0,0,0,1,0|1,1,1]=4 3472 B6R0.3 CCC(C)C(N)=O Amb33548100 [0,0,0,0,1,0|1,0,0]=2 3473 B6R0.3 CCC(C)C(N)=S Amb6740516 [0,0,0,0,1,0|1,1,0]=3 3474 B6R0.3 CCC(C)C(N)N Amb27430131 [0,0,0,0,1,0|2,0,1]=4 3475 B6R0.3 CCC(C)C(O)O Amb27826789 [0,0,0,0,1,0|0,0,2]=3 3476 B6R0.3 CCC(C)N(C)C Amb24479871 [0,0,0,0,1,0|3,0,0]=4 3477 B6R0.3 CCC(C)S(=O)Cl Amb27841595 [0,0,0,0,1,0|2,0,0]=3 3478 B6R0.3 CCC(C)S(=O)[O-] Amb19893328 [0,0,0,0,1,0|1,0,1]=3 3479 B6R0.3 CCC(C)S(N)=O Amb32756501 [0,0,0,0,1,0|2,0,0]=3 3480 B6R0.3 CCC(C)[C@@H](C)N Amb4017385 [0,0,0,0,1,0|2,0,1]=4 3481 B6R0.3 CCC(C)[C@@H](C)O Amb27946951 [0,0,0,0,1,0|1,0,1]=3 3482 B6R0.3 CCC(C)[C@H](C)N Amb27219708 [0,0,0,0,1,0|2,0,1]=4 3483 B6R0.3 CCC(C)[C@H](C)O Amb28281014 [0,0,0,0,1,0|1,0,1]=3 3484 B6R0.3 CCC(C)[N+](=O)[O-] Amb4036169 [0,0,0,0,1,0|1,0,1]=3 3485 B6R0.3 CCC(Cl)C(=O)Br Amb28384077 [0,0,0,0,1,0|2,0,0]=3 3486 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [0,0,0,0,1,0|2,0,0]=3 3487 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [0,0,0,0,1,0|1,0,0]=2 3488 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [0,0,0,0,1,0|2,0,0]=3 3489 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [0,0,0,0,1,0|2,0,0]=3 3490 B6R0.3 CCC(Cl)C(O)O Amb27400305 [0,0,0,0,1,0|1,0,2]=4 3491 B6R0.3 CCC(Cl)[N+](=O)[O-] Amb4016590 [0,0,0,0,1,0|2,0,1]=4 3492 B6R0.3 CCC(F)C(=N)N Amb32456109 [0,0,0,0,1,0|3,0,0]=4 3493 B6R0.3 CCC(F)C(=O)O Amb25716167 [0,0,0,0,1,0|1,0,0]=2 3494 B6R0.3 CCC(N)B(O)O Amb28367684 [0,0,0,0,1,0|2,0,1]=4 3495 B6R0.3 CCC(N)C(=O)Cl Amb17593240 [0,0,0,0,1,0|2,0,0]=3 3496 B6R0.3 CCC(N)C(=O)O Amb9729506 [0,0,0,0,1,0|1,0,0]=2 3497 B6R0.3 CCC(N)C(C)O Amb32662794 [0,0,0,0,1,0|2,0,1]=4 3498 B6R0.3 CCC(N)C(C)O Amb8855230 [0,0,0,0,1,0|2,0,1]=4 3499 B6R0.3 CCC(N)C(N)=O Amb1914080 [0,0,0,0,1,0|2,0,0]=3 3500 B6R0.3 CCC(N)C(N)=O Amb33528521 [0,0,0,0,1,0|2,0,0]=3 3501 B6R0.3 CCC(N)C(N)O Amb28348585 [0,0,0,0,1,0|2,0,1]=4 3502 B6R0.3 CCC(N)P(=O)=O Amb27786328 [0,0,0,0,1,0|2,0,1]=4 3503 B6R0.3 CCC(O)C(=N)N Amb33321504 [0,0,0,0,1,0|3,0,0]=4 3504 B6R0.3 CCC(O)C(=O)O Amb6609018 [0,0,0,0,1,0|1,0,0]=2 3505 B6R0.3 CCC(O)C(=O)[O-] Amb17943026 [0,0,0,0,1,0|1,0,1]=3 3506 B6R0.3 CCC(O)C(C)=O Amb25336501 [0,0,0,0,1,0|2,0,0]=3 3507 B6R0.3 CCC(O)C(C)O Amb2227553 [0,0,0,0,1,0|2,0,1]=4 3508 B6R0.3 CCC(O)C(N)=O Amb24116514 [0,0,0,0,1,0|2,0,0]=3 3509 B6R0.3 CCC(O)C(N)=S Amb23449332 [0,0,0,0,1,0|2,1,0]=4 3510 B6R0.3 CCC(O)S(=O)[O-] Amb27166943 [0,0,0,0,1,0|2,0,1]=4 3511 B6R0.3 CCC(S)C(=O)O Amb17501370 [0,0,0,0,1,0|1,0,0]=2 3512 B6R0.3 CCC(S)C(C)=O Amb8393170 [0,0,0,0,1,0|2,0,0]=3 3513 B6R0.3 CCN(C)C(=N)N Amb33552632 [0,0,0,0,1,0|3,0,0]=4 3514 B6R0.3 CCN(C)C(=N)N Amb8890895 [0,0,0,0,1,0|3,0,0]=4 3515 B6R0.3 CCN(C)C(=O)Cl Amb8390927 [0,0,0,0,1,0|2,0,0]=3 3516 B6R0.3 CCN(C)C(=S)S Amb27430266 [0,0,0,0,1,0|1,2,0]=4 3517 B6R0.3 CCN(C)C(C)=O Amb22753516 [0,0,0,0,1,0|2,0,0]=3 3518 B6R0.3 CCN(N)C(C)=O Amb18639976 [0,0,0,0,1,0|3,0,0]=4 3519 B6R0.3 CCN(N)C(N)=O Amb28184355 [0,0,0,0,1,0|3,0,0]=4 3520 B6R0.3 CCN(O)C(C)=O Amb27652499 [0,0,0,0,1,0|3,0,0]=4 3521 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [0,0,0,0,1,0|1,0,0]=2 3522 B6R0.3 CC[C@@H](C)B(O)O Amb27784066 [0,0,0,0,1,0|1,0,1]=3 3523 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [0,0,0,0,1,0|0,0,0]=1 3524 B6R0.3 CC[C@@H](C)C(C)=O Amb28283799 [0,0,0,0,1,0|1,0,0]=2 3525 B6R0.3 CC[C@@H](C)[C@@H](C)N Amb27168975 [0,0,0,0,1,0|2,0,1]=4 3526 B6R0.3 CC[C@@H](C)[C@@H](C)O Amb27448466 [0,0,0,0,1,0|1,0,1]=3 3527 B6R0.3 CC[C@@H](C)[C@H](C)N Amb28365870 [0,0,0,0,1,0|2,0,1]=4 3528 B6R0.3 CC[C@@H](Cl)C(=O)Cl Amb27985877 [0,0,0,0,1,0|2,0,0]=3 3529 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [0,0,0,0,1,0|1,0,0]=2 3530 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [0,0,0,0,1,0|2,0,0]=3 3531 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [0,0,0,0,1,0|1,0,0]=2 3532 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [0,0,0,0,1,0|1,0,0]=2 3533 B6R0.3 CC[C@@H](N)C(C)=O Amb35594875 [0,0,0,0,1,0|2,0,0]=3 3534 B6R0.3 CC[C@@H](N)C(C)O Amb28280672 [0,0,0,0,1,0|2,0,1]=4 3535 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [0,0,0,0,1,0|2,0,0]=3 3536 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [0,0,0,0,1,0|2,0,0]=3 3537 B6R0.3 CC[C@@H](N)[C@@H](C)O Amb24117050 [0,0,0,0,1,0|2,0,1]=4 3538 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [0,0,0,0,1,0|1,0,0]=2 3539 B6R0.3 CC[C@@H](O)C(N)=O Amb27792606 [0,0,0,0,1,0|2,0,0]=3 3540 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [0,0,0,0,1,0|1,0,0]=2 3541 B6R0.3 CC[C@H](C)B(O)O Amb25746615 [0,0,0,0,1,0|1,0,1]=3 3542 B6R0.3 CC[C@H](C)C(=O)Cl Amb26463969 [0,0,0,0,1,0|1,0,0]=2 3543 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [0,0,0,0,1,0|0,0,0]=1 3544 B6R0.3 CC[C@H](C)C(N)=O Amb27440802 [0,0,0,0,1,0|1,0,0]=2 3545 B6R0.3 CC[C@H](C)[C@@H](C)N Amb26488315 [0,0,0,0,1,0|2,0,1]=4 3546 B6R0.3 CC[C@H](C)[C@@H](C)N Amb33457608 [0,0,0,0,1,0|2,0,1]=4 3547 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [0,0,0,0,1,0|1,0,0]=2 3548 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [0,0,0,0,1,0|1,0,0]=2 3549 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [0,0,0,0,1,0|1,0,0]=2 3550 B6R0.3 CC[C@H](N)C(C)=O Amb29849605 [0,0,0,0,1,0|2,0,0]=3 3551 B6R0.3 CC[C@H](N)C(N)=O Amb8387112 [0,0,0,0,1,0|2,0,0]=3 3552 B6R0.3 CC[C@H](N)C(N)=O Amb8395789 [0,0,0,0,1,0|2,0,0]=3 3553 B6R0.3 CC[C@H](N)[C@@H](C)O Amb24117049 [0,0,0,0,1,0|2,0,1]=4 3554 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [0,0,0,0,1,0|1,0,0]=2 3555 B6R0.3 CC[C@H](O)[C@@H](C)O Amb27972258 [0,0,0,0,1,0|2,0,1]=4 3556 B6R0.3 CC[C@H](O)[C@H](C)O Amb27664238 [0,0,0,0,1,0|2,0,1]=4 3557 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [0,0,0,0,1,0|1,0,0]=2 3558 B6R0.3 CN(CCl)C(=O)Cl Amb25076174 [0,0,0,0,1,0|3,0,0]=4 3559 B6R0.3 CNC(=O)C(=O)O Amb2691295 [0,0,0,0,1,0|2,0,1]=4 3560 B6R0.3 CNC(C)C(=O)O Amb19373699 [0,0,0,0,1,0|1,0,0]=2 3561 B6R0.3 CNC(C)C(=O)O Amb9271766 [0,0,0,0,1,0|1,0,0]=2 3562 B6R0.3 CNC(C)C(C)=O Amb24369529 [0,0,0,0,1,0|2,0,0]=3 3563 B6R0.3 CNC(C)C(N)=O Amb33527202 [0,0,0,0,1,0|2,0,0]=3 3564 B6R0.3 CNC(C)C(N)=O Amb7758120 [0,0,0,0,1,0|2,0,0]=3 3565 B6R0.3 CNC(C)C(O)O Amb28348594 [0,0,0,0,1,0|1,0,2]=4 3566 B6R0.3 CNC(O)C(=O)O Amb27229907 [0,0,0,0,1,0|2,0,0]=3 3567 B6R0.3 CNN(C)C(N)=O Amb28134420 [0,0,0,0,1,0|3,0,0]=4 3568 B6R0.3 CN[C@@H](C)C(=O)O Amb16233347 [0,0,0,0,1,0|1,0,0]=2 3569 B6R0.3 CN[C@@H](C)C(=O)O Amb16233348 [0,0,0,0,1,0|1,0,0]=2 3570 B6R0.3 CN[C@@H](C)C(C)O Amb29849613 [0,0,0,0,1,0|2,0,1]=4 3571 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [0,0,0,0,1,0|2,0,0]=3 3572 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [0,0,0,0,1,0|2,0,0]=3 3573 B6R0.3 CN[C@H](C)C(=O)O Amb10844859 [0,0,0,0,1,0|1,0,0]=2 3574 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [0,0,0,0,1,0|2,0,0]=3 3575 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [0,0,0,0,1,0|2,0,0]=3 3576 B6R0.3 COC(=O)C(=O)O Amb33545007 [0,0,0,0,1,0|2,0,1]=4 3577 B6R0.3 COC(Br)C(=O)O Amb27439128 [0,0,0,0,1,0|2,0,0]=3 3578 B6R0.3 COC(Br)C(C)=O Amb25360111 [0,0,0,0,1,0|3,0,0]=4 3579 B6R0.3 COC(C)C(=N)N Amb20622329 [0,0,0,0,1,0|3,0,0]=4 3580 B6R0.3 COC(C)C(=N)N Amb22059004 [0,0,0,0,1,0|3,0,0]=4 3581 B6R0.3 COC(C)C(=O)Cl Amb26005661 [0,0,0,0,1,0|2,0,0]=3 3582 B6R0.3 COC(C)C(=O)O Amb9729215 [0,0,0,0,1,0|1,0,0]=2 3583 B6R0.3 COC(C)C(C)=O Amb9666021 [0,0,0,0,1,0|2,0,0]=3 3584 B6R0.3 COC(C)C(C)O Amb22757090 [0,0,0,0,1,0|2,0,1]=4 3585 B6R0.3 COC(C)C(N)=O Amb6541307 [0,0,0,0,1,0|2,0,0]=3 3586 B6R0.3 COC(C)C(N)=S Amb20622535 [0,0,0,0,1,0|2,1,0]=4 3587 B6R0.3 COC(C)[C@H](C)O Amb27805786 [0,0,0,0,1,0|2,0,1]=4 3588 B6R0.3 COC(Cl)C(=O)O Amb28280799 [0,0,0,0,1,0|2,0,0]=3 3589 B6R0.3 COC(Cl)C(C)=O Amb28118971 [0,0,0,0,1,0|3,0,0]=4 3590 B6R0.3 COC(F)C(=O)O Amb27764863 [0,0,0,0,1,0|2,0,0]=3 3591 B6R0.3 COC(F)C(=O)[O-] Amb33447021 [0,0,0,0,1,0|2,0,1]=4 3592 B6R0.3 COC(O)C(C)=O Amb27954086 [0,0,0,0,1,0|3,0,0]=4 3593 B6R0.3 CON(C)C(=O)Cl Amb8517218 [0,0,0,0,1,0|3,0,0]=4 3594 B6R0.3 CON(C)C(C)=O Amb2689133 [0,0,0,0,1,0|3,0,0]=4 3595 B6R0.3 CON(C)C(N)=O Amb25305178 [0,0,0,0,1,0|3,0,0]=4 3596 B6R0.3 CO[C@@H](C)C(=O)Cl Amb26562182 [0,0,0,0,1,0|2,0,0]=3 3597 B6R0.3 CO[C@@H](C)C(=O)O Amb8515766 [0,0,0,0,1,0|1,0,0]=2 3598 B6R0.3 CO[C@@H](C)C(N)=O Amb8515768 [0,0,0,0,1,0|2,0,0]=3 3599 B6R0.3 CO[C@H](C)C(=N)N Amb28043131 [0,0,0,0,1,0|3,0,0]=4 3600 B6R0.3 CO[C@H](C)C(=O)Cl Amb27588755 [0,0,0,0,1,0|2,0,0]=3 3601 B6R0.3 CO[C@H](C)C(=O)O Amb8515771 [0,0,0,0,1,0|1,0,0]=2 3602 B6R0.3 CO[C@H](C)C(N)=O Amb17617080 [0,0,0,0,1,0|2,0,0]=3 3603 B6R0.3 CSC(C)C(=O)O Amb6274567 [0,0,0,0,1,0|1,0,0]=2 3604 B6R0.3 CSC(C)C(C)O Amb33550763 [0,0,0,0,1,0|2,0,1]=4 3605 B6R0.3 CSC(C)C(N)=O Amb28047863 [0,0,0,0,1,0|2,0,0]=3 3606 B6R0.3 CSC(Cl)C(=O)Cl Amb27392297 [0,0,0,0,1,0|3,0,0]=4 3607 B6R0.3 CSC(N)C(=O)O Amb28383509 [0,0,0,0,1,0|2,0,0]=3 3608 B6R0.3 CS[C@@H](C)[C@H](C)O Amb27765798 [0,0,0,0,1,0|2,0,1]=4 3609 B6R0.3 CS[C@H](C)C(=O)O Amb26611205 [0,0,0,0,1,0|1,0,0]=2 3610 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [0,0,0,0,1,0|1,0,0]=2 3611 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [0,0,0,0,1,0|1,0,0]=2 3612 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [0,0,0,0,1,0|1,0,0]=2 3613 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [0,0,0,0,1,0|1,0,0]=2 3614 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [0,0,0,0,1,0|1,0,0]=2 3615 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [0,0,0,0,1,0|2,0,0]=3 3616 B6R0.3 C[C@@H](ON)C(=O)O Amb27169414 [0,0,0,0,1,0|2,0,0]=3 3617 B6R0.3 C[C@@H](ON)C(=O)O Amb33620846 [0,0,0,0,1,0|2,0,0]=3 3618 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [0,0,0,0,1,0|1,0,0]=2 3619 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [0,0,0,0,1,0|2,0,0]=3 3620 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [0,0,0,0,1,0|1,0,0]=2 3621 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [0,0,0,0,1,0|1,0,0]=2 3622 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [0,0,0,0,1,0|1,0,0]=2 3623 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [0,0,0,0,1,0|1,0,0]=2 3624 B6R0.3 C[C@H](NBr)C(=O)O Amb28050211 [0,0,0,0,1,0|2,0,0]=3 3625 B6R0.3 C[C@H](NN)C(=O)O Amb28247936 [0,0,0,0,1,0|2,0,0]=3 3626 B6R0.3 C[C@H](ON)C(=O)O Amb25853808 [0,0,0,0,1,0|2,0,0]=3 3627 B6R0.3 C[C@H](ON)C(=O)O Amb33620847 [0,0,0,0,1,0|2,0,0]=3 3628 B6R0.3 C\C(=C/Br)C(=O)O Amb4014496 [0,0,0,0,1,0|1,0,2]=4 3629 B6R0.3 C\C(=C/F)C(=O)O Amb27469080 [0,0,0,0,1,0|1,0,2]=4 3630 B6R0.3 C\C(=C/I)C(=O)O Amb27838211 [0,0,0,0,1,0|1,0,2]=4 3631 B6R0.3 C\C(=N/O)C(=O)O Amb28187271 [0,0,0,0,1,0|2,0,1]=4 3632 B6R0.3 C\C=C(/Br)C(=O)O Amb18646193 [0,0,0,0,1,0|1,0,2]=4 3633 B6R0.3 C\C=C(/C)C(=O)Cl Amb8395514 [0,0,0,0,1,0|1,0,2]=4 3634 B6R0.3 C\C=C(/C)C(=O)O Amb33723768 [0,0,0,0,1,0|0,0,2]=3 3635 B6R0.3 C\C=C(/C)C(C)=O Amb2725616 [0,0,0,0,1,0|1,0,2]=4 3636 B6R0.3 C\C=C(/F)C(=O)O Amb32663762 [0,0,0,0,1,0|1,0,2]=4 3637 B6R0.3 C\C=C(/O)C(=O)O Amb22727962 [0,0,0,0,1,0|1,0,2]=4 3638 B6R0.3 C\C=C(\Br)C(=O)O Amb4014486 [0,0,0,0,1,0|1,0,2]=4 3639 B6R0.3 C\C=C(\C)C(=O)O Amb3445181 [0,0,0,0,1,0|0,0,2]=3 3640 B6R0.3 C\C=C(\C)C(N)=O Amb28318688 [0,0,0,0,1,0|1,0,2]=4 3641 B6R0.3 C\C=C(\Cl)C(=O)O Amb28073985 [0,0,0,0,1,0|1,0,2]=4 3642 B6R0.3 C\C=C(\I)C(=O)O Amb27841305 [0,0,0,0,1,0|1,0,2]=4 3643 B6R0.3 C\N=C(/C)C(C)=O Amb27838250 [0,0,0,0,1,0|2,0,1]=4 3644 B6R0.3 N#CC(N)C(=O)O Amb25328320 [0,0,0,0,1,0|2,0,1]=4 3645 B6R0.3 N#CC(O)C(=O)O Amb27467286 [0,0,0,0,1,0|2,0,1]=4 3646 B6R0.3 NC(=O)C(Br)CBr Amb8390579 [0,0,0,0,1,0|3,0,0]=4 3647 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [0,0,0,0,1,0|3,0,0]=4 3648 B6R0.3 NC(=O)C(N)CO Amb17593097 [0,0,0,0,1,0|3,0,0]=4 3649 B6R0.3 NC(=O)C(N)CO Amb2720301 [0,0,0,0,1,0|3,0,0]=4 3650 B6R0.3 NC(=O)C(N)CS Amb18641990 [0,0,0,0,1,0|3,0,0]=4 3651 B6R0.3 NC(=O)C(N)CS Amb33330875 [0,0,0,0,1,0|3,0,0]=4 3652 B6R0.3 NC(=O)C(O)CO Amb27169520 [0,0,0,0,1,0|3,0,0]=4 3653 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [0,0,0,0,1,0|3,0,0]=4 3654 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [0,0,0,0,1,0|3,0,0]=4 3655 B6R0.3 NC(=O)[C@@H](N)CS Amb23437751 [0,0,0,0,1,0|3,0,0]=4 3656 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [0,0,0,0,1,0|3,0,0]=4 3657 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [0,0,0,0,1,0|3,0,0]=4 3658 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [0,0,0,0,1,0|3,0,0]=4 3659 B6R0.3 NC(CCl)C(=O)O Amb19651457 [0,0,0,0,1,0|2,0,0]=3 3660 B6R0.3 NC(CCl)C(=O)O Amb21961077 [0,0,0,0,1,0|2,0,0]=3 3661 B6R0.3 NC(CF)C(=O)O Amb10839589 [0,0,0,0,1,0|2,0,0]=3 3662 B6R0.3 NC(CO)C(=O)O Amb9702805 [0,0,0,0,1,0|2,0,0]=3 3663 B6R0.3 NC(CP)C(=O)O Amb27234251 [0,0,0,0,1,0|2,0,0]=3 3664 B6R0.3 NC(CS)C(=O)Cl Amb28050358 [0,0,0,0,1,0|3,0,0]=4 3665 B6R0.3 NC(CS)C(=O)O Amb13961966 [0,0,0,0,1,0|2,0,0]=3 3666 B6R0.3 NC(CS)C(=O)O Amb22489523 [0,0,0,0,1,0|2,0,0]=3 3667 B6R0.3 NC(CS)C(=O)O Amb6537913 [0,0,0,0,1,0|2,0,0]=3 3668 B6R0.3 NC(CS)C(=O)O Amb6537914 [0,0,0,0,1,0|2,0,0]=3 3669 B6R0.3 NC(CS)C(=O)S Amb27838279 [0,0,0,0,1,0|2,1,0]=4 3670 B6R0.3 NC(CS)S(=O)O Amb27238568 [0,0,0,0,1,0|3,0,0]=4 3671 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [0,0,0,0,1,0|2,0,0]=3 3672 B6R0.3 NCC(Br)C(=O)O Amb28385732 [0,0,0,0,1,0|2,0,0]=3 3673 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [0,0,0,0,1,0|2,0,0]=3 3674 B6R0.3 NCC(F)C(=O)O Amb22733051 [0,0,0,0,1,0|2,0,0]=3 3675 B6R0.3 NCC(F)C(=O)O Amb2688010 [0,0,0,0,1,0|2,0,0]=3 3676 B6R0.3 NCC(F)C(N)=O Amb26984913 [0,0,0,0,1,0|3,0,0]=4 3677 B6R0.3 NCC(F)C(N)=O Amb32667436 [0,0,0,0,1,0|3,0,0]=4 3678 B6R0.3 NCC(N)C(=O)O Amb22899095 [0,0,0,0,1,0|2,0,0]=3 3679 B6R0.3 NCC(N)C(=O)O Amb2697095 [0,0,0,0,1,0|2,0,0]=3 3680 B6R0.3 NCC(N)C(=O)O Amb8514284 [0,0,0,0,1,0|2,0,0]=3 3681 B6R0.3 NCC(O)C(=O)O Amb8517492 [0,0,0,0,1,0|2,0,0]=3 3682 B6R0.3 NCC(O)C(N)=O Amb27164291 [0,0,0,0,1,0|3,0,0]=4 3683 B6R0.3 NCC(O)C(N)=O Amb28827639 [0,0,0,0,1,0|3,0,0]=4 3684 B6R0.3 NCC(S)C(=O)O Amb17593238 [0,0,0,0,1,0|2,0,0]=3 3685 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [0,0,0,0,1,0|2,0,0]=3 3686 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [0,0,0,0,1,0|2,0,0]=3 3687 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [0,0,0,0,1,0|2,0,0]=3 3688 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [0,0,0,0,1,0|2,0,0]=3 3689 B6R0.3 NC[C@@H](N)C(N)=O Amb27981260 [0,0,0,0,1,0|3,0,0]=4 3690 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [0,0,0,0,1,0|2,0,0]=3 3691 B6R0.3 NC[C@@H](O)C(N)=O Amb28282144 [0,0,0,0,1,0|3,0,0]=4 3692 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [0,0,0,0,1,0|2,0,0]=3 3693 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [0,0,0,0,1,0|2,0,0]=3 3694 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [0,0,0,0,1,0|2,0,0]=3 3695 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [0,0,0,0,1,0|2,0,0]=3 3696 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [0,0,0,0,1,0|2,0,0]=3 3697 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [0,0,0,0,1,0|2,0,0]=3 3698 B6R0.3 NC[C@H](O)C(N)=O Amb32645211 [0,0,0,0,1,0|3,0,0]=4 3699 B6R0.3 N[C@@H](C=S)C(=O)O Amb27838199 [0,0,0,0,1,0|2,0,1]=4 3700 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [0,0,0,0,1,0|2,0,0]=3 3701 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [0,0,0,0,1,0|2,0,0]=3 3702 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [0,0,0,0,1,0|2,0,0]=3 3703 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [0,0,0,0,1,0|2,0,0]=3 3704 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [0,0,0,0,1,0|2,0,0]=3 3705 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [0,0,0,0,1,0|2,0,0]=3 3706 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [0,0,0,0,1,0|2,0,0]=3 3707 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [0,0,0,0,1,0|2,0,0]=3 3708 B6R0.3 N[C@@H](CS)S(=O)O Amb27391675 [0,0,0,0,1,0|3,0,0]=4 3709 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [0,0,0,0,1,0|2,0,0]=3 3710 B6R0.3 N[C@H](CCl)C(=O)Cl Amb28143184 [0,0,0,0,1,0|3,0,0]=4 3711 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [0,0,0,0,1,0|2,0,0]=3 3712 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [0,0,0,0,1,0|2,0,0]=3 3713 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [0,0,0,0,1,0|3,0,0]=4 3714 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [0,0,0,0,1,0|2,0,0]=3 3715 B6R0.3 N[C@H](CS)C(=O)Cl Amb27166396 [0,0,0,0,1,0|3,0,0]=4 3716 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [0,0,0,0,1,0|2,0,0]=3 3717 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [0,0,0,0,1,0|2,0,0]=3 3718 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [0,0,0,0,1,0|2,0,0]=3 3719 B6R0.3 O=C(Cl)C(Br)CBr Amb3940235 [0,0,0,0,1,0|3,0,0]=4 3720 B6R0.3 O=C(Cl)C(Br)CCl Amb28198806 [0,0,0,0,1,0|3,0,0]=4 3721 B6R0.3 O=C(Cl)C(Br)CF Amb28129447 [0,0,0,0,1,0|3,0,0]=4 3722 B6R0.3 O=C(Cl)C(Cl)CCl Amb3940236 [0,0,0,0,1,0|3,0,0]=4 3723 B6R0.3 O=C(O)C(=O)CBr Amb10068671 [0,0,0,0,1,0|2,0,1]=4 3724 B6R0.3 O=C(O)C(=O)CBr Amb8389349 [0,0,0,0,1,0|2,0,1]=4 3725 B6R0.3 O=C(O)C(=O)CCl Amb16233358 [0,0,0,0,1,0|2,0,1]=4 3726 B6R0.3 O=C(O)C(=O)CI Amb27659477 [0,0,0,0,1,0|2,0,1]=4 3727 B6R0.3 O=C(O)C(=O)CO Amb6600025 [0,0,0,0,1,0|2,0,1]=4 3728 B6R0.3 O=C(O)C(=O)CS Amb6600041 [0,0,0,0,1,0|2,0,1]=4 3729 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [0,0,0,0,1,0|2,0,0]=3 3730 B6R0.3 O=C(O)C(Br)CF Amb10605519 [0,0,0,0,1,0|2,0,0]=3 3731 B6R0.3 O=C(O)C(Br)CO Amb18126327 [0,0,0,0,1,0|2,0,0]=3 3732 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [0,0,0,0,1,0|2,0,0]=3 3733 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [0,0,0,0,1,0|2,0,0]=3 3734 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [0,0,0,0,1,0|2,0,0]=3 3735 B6R0.3 O=C(O)C(F)CO Amb17593117 [0,0,0,0,1,0|2,0,0]=3 3736 B6R0.3 O=C(O)C(O)CBr Amb24061932 [0,0,0,0,1,0|2,0,0]=3 3737 B6R0.3 O=C(O)C(O)CCl Amb6371692 [0,0,0,0,1,0|2,0,0]=3 3738 B6R0.3 O=C(O)C(O)CF Amb27476477 [0,0,0,0,1,0|2,0,0]=3 3739 B6R0.3 O=C(O)C(O)CO Amb17593103 [0,0,0,0,1,0|2,0,0]=3 3740 B6R0.3 O=C(O)C(O)CS Amb18642053 [0,0,0,0,1,0|2,0,0]=3 3741 B6R0.3 O=C(O)C(S)CS Amb18643295 [0,0,0,0,1,0|2,0,0]=3 3742 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [0,0,0,0,1,0|2,0,0]=3 3743 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [0,0,0,0,1,0|2,0,0]=3 3744 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [0,0,0,0,1,0|2,0,0]=3 3745 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [0,0,0,0,1,0|2,0,0]=3 3746 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [0,0,0,0,1,0|2,0,0]=3 3747 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [0,0,0,0,1,0|2,0,0]=3 3748 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [0,0,0,0,1,0|2,0,0]=3 3749 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [0,0,0,0,1,0|2,0,0]=3 3750 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [0,0,0,0,1,0|2,0,0]=3 3751 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [0,0,0,0,1,0|2,0,0]=3 3752 B6R0.3 O=CC(Br)C(=O)O Amb27793774 [0,0,0,0,1,0|2,0,1]=4 3753 B6R0.3 O=CC(F)C(=O)O Amb22055301 [0,0,0,0,1,0|2,0,1]=4 3754 B6R0.3 O=C[C@@H](O)C(=O)O Amb27629391 [0,0,0,0,1,0|2,0,1]=4 3755 B6R0.3 [C-]#[N+]C(C)C(=O)O Amb27974746 [0,0,0,0,1,0|1,0,1]=3 3756 B8R0.9 C#CC(C)CCC(N)=O Amb27602261 [0,0,0,0,0,1|1,0,2]=4 3757 B8R0.9 C#CC(C)NCC(=O)O Amb27207997 [0,0,0,0,0,1|0,0,2]=3 3758 B8R0.9 C#CC(C)NCC(N)=O Amb28352348 [0,0,0,0,0,1|1,0,2]=4 3759 B8R0.9 C#CC(C)SCC(=O)O Amb27168265 [0,0,0,0,0,1|0,0,2]=3 3760 B8R0.9 C#CC(F)CCC(=O)O Amb28041990 [0,0,0,0,0,1|1,0,2]=4 3761 B8R0.9 C#CC(N)CCC(=O)O Amb22352566 [0,0,0,0,0,1|1,0,2]=4 3762 B8R0.9 C=C(Br)CNC(C)CO Amb18303323 [0,0,0,0,0,1|3,0,0]=4 3763 B8R0.9 C=C(C)CCC(C)CBr Amb27794197 [0,0,0,0,0,1|3,0,0]=4 3764 B8R0.9 C=C(C)CCC(C)CN Amb27180681 [0,0,0,0,0,1|3,0,0]=4 3765 B8R0.9 C=C(C)CCC(C)NC Amb27452757 [0,0,0,0,0,1|3,0,0]=4 3766 B8R0.9 C=C(C)CCC(N)CC Amb27395082 [0,0,0,0,0,1|3,0,0]=4 3767 B8R0.9 C=C(C)CNC(C)CC Amb17308623 [0,0,0,0,0,1|2,0,0]=3 3768 B8R0.9 C=C(C)CNC(C)CN Amb27166201 [0,0,0,0,0,1|3,0,0]=4 3769 B8R0.9 C=C(C)COC(C)CN Amb18630505 [0,0,0,0,0,1|3,0,0]=4 3770 B8R0.9 C=C(C)CSC(C)CC Amb27615012 [0,0,0,0,0,1|2,0,0]=3 3771 B8R0.9 C=C(C)CSC(C)CO Amb28046498 [0,0,0,0,0,1|3,0,0]=4 3772 B8R0.9 C=C(CC)CNC(C)=O Amb27985317 [0,0,0,0,0,1|1,0,2]=4 3773 B8R0.9 C=C(CC)CNC(N)=O Amb28342560 [0,0,0,0,0,1|1,0,2]=4 3774 B8R0.9 C=C(CC)OCC(C)=O Amb27227543 [0,0,0,0,0,1|1,0,2]=4 3775 B8R0.9 C=C(Cl)CNC(C)CO Amb18303324 [0,0,0,0,0,1|3,0,0]=4 3776 B8R0.9 C=C(Cl)CSC(C)CC Amb28062133 [0,0,0,0,0,1|2,0,0]=3 3777 B8R0.9 C=C(\C=C\C(=O)O)CC Amb27229488 [0,0,0,0,0,1|0,0,3]=4 3778 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [0,0,0,0,0,1|1,0,2]=4 3779 B8R0.9 C=CC(C)OCC(=O)O Amb18642764 [0,0,0,0,0,1|0,0,2]=3 3780 B8R0.9 C=CC(C)SCC(C)=O Amb27837610 [0,0,0,0,0,1|1,0,2]=4 3781 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [0,0,0,0,0,1|1,0,2]=4 3782 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [0,0,0,0,0,1|1,0,2]=4 3783 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [0,0,0,0,0,1|1,0,2]=4 3784 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [0,0,0,0,0,1|1,0,2]=4 3785 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [0,0,0,0,0,1|1,0,2]=4 3786 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [0,0,0,0,0,1|1,0,2]=4 3787 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [0,0,0,0,0,1|0,0,3]=4 3788 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [0,0,0,0,0,1|2,0,1]=4 3789 B8R0.9 CC(=O)CCC(C)CO Amb27838673 [0,0,0,0,0,1|2,0,0]=3 3790 B8R0.9 CC(=O)CCC(Cl)CCl Amb27259129 [0,0,0,0,0,1|3,0,0]=4 3791 B8R0.9 CC(=O)CCC(F)CCl Amb28060125 [0,0,0,0,0,1|3,0,0]=4 3792 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [0,0,0,0,0,1|3,0,0]=4 3793 B8R0.9 CC(=O)CCC(O)CF Amb28322193 [0,0,0,0,0,1|3,0,0]=4 3794 B8R0.9 CC(=O)CNC(C)CO Amb27614242 [0,0,0,0,0,1|2,0,0]=3 3795 B8R0.9 CC(=O)COC(C)CN Amb18110559 [0,0,0,0,0,1|2,0,0]=3 3796 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [0,0,0,0,0,1|2,0,1]=4 3797 B8R0.9 CC(=O)NCC(C)CN Amb18300590 [0,0,0,0,0,1|2,0,0]=3 3798 B8R0.9 CC(=O)NCC(C)ON Amb17138377 [0,0,0,0,0,1|3,0,0]=4 3799 B8R0.9 CC(=O)NC[C@@H](O)CO Amb27156658 [0,0,0,0,0,1|3,0,0]=4 3800 B8R0.9 CC(=O)NC[C@H](O)CCl Amb25760218 [0,0,0,0,0,1|3,0,0]=4 3801 B8R0.9 CC(=O)OCC(C)CBr Amb22386917 [0,0,0,0,0,1|2,0,0]=3 3802 B8R0.9 CC(=O)OCC(F)CO Amb27443281 [0,0,0,0,0,1|3,0,0]=4 3803 B8R0.9 CC(=O)OCC(N)CO Amb33140919 [0,0,0,0,0,1|3,0,0]=4 3804 B8R0.9 CC(=O)OCC(O)CCl Amb17593815 [0,0,0,0,0,1|3,0,0]=4 3805 B8R0.9 CC(=O)OCC(O)CO Amb22043222 [0,0,0,0,0,1|3,0,0]=4 3806 B8R0.9 CC(=O)OCC(S)CCl Amb28056223 [0,0,0,0,0,1|3,0,0]=4 3807 B8R0.9 CC(=O)OC[C@@H](O)CCl Amb27469927 [0,0,0,0,0,1|3,0,0]=4 3808 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [0,0,0,0,0,1|2,0,1]=4 3809 B8R0.9 CC(=O)OC[C@H](C)CBr Amb28385279 [0,0,0,0,0,1|2,0,0]=3 3810 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [0,0,0,0,0,1|2,0,1]=4 3811 B8R0.9 CC(=O)SCC(C)CCl Amb4605870 [0,0,0,0,0,1|2,0,0]=3 3812 B8R0.9 CC(=O)SC[C@H](O)CO Amb27261704 [0,0,0,0,0,1|3,0,0]=4 3813 B8R0.9 CC(C#CC(=O)O)CN Amb33168959 [0,0,0,0,0,1|1,0,1]=3 3814 B8R0.9 CC(C#N)NCC(=O)O Amb18293465 [0,0,0,0,0,1|1,0,1]=3 3815 B8R0.9 CC(C)=CC[C@@H](C)CO Amb27619671 [0,0,0,0,0,1|3,0,0]=4 3816 B8R0.9 CC(CBr)CCS(C)=O Amb26630308 [0,0,0,0,0,1|3,0,0]=4 3817 B8R0.9 CC(CBr)COC(N)=O Amb27879004 [0,0,0,0,0,1|2,0,0]=3 3818 B8R0.9 CC(CCC(=O)O)NO Amb27945567 [0,0,0,0,0,1|2,0,0]=3 3819 B8R0.9 CC(CCl)CCC(=O)Cl Amb25921088 [0,0,0,0,0,1|2,0,0]=3 3820 B8R0.9 CC(CCl)CCC(=O)O Amb27838484 [0,0,0,0,0,1|1,0,0]=2 3821 B8R0.9 CC(CCl)CCS(C)=O Amb26541793 [0,0,0,0,0,1|3,0,0]=4 3822 B8R0.9 CC(CN)CCC(=O)O Amb22059189 [0,0,0,0,0,1|1,0,0]=2 3823 B8R0.9 CC(CN)CCC(=O)O Amb28935016 [0,0,0,0,0,1|1,0,0]=2 3824 B8R0.9 CC(CN)CCS(C)=O Amb28430263 [0,0,0,0,0,1|3,0,0]=4 3825 B8R0.9 CC(CN)CC[N+](=O)[O-] Amb33746654 [0,0,0,0,0,1|2,0,1]=4 3826 B8R0.9 CC(CN)CNC(N)=O Amb18994081 [0,0,0,0,0,1|2,0,0]=3 3827 B8R0.9 CC(CN)NC[C@@H](C)O Amb27768689 [0,0,0,0,0,1|2,0,1]=4 3828 B8R0.9 CC(CN)OCC(=O)O Amb18629591 [0,0,0,0,0,1|1,0,0]=2 3829 B8R0.9 CC(CN)SCC(=O)O Amb28142553 [0,0,0,0,0,1|1,0,0]=2 3830 B8R0.9 CC(CO)CCS(C)=O Amb27815628 [0,0,0,0,0,1|3,0,0]=4 3831 B8R0.9 CC(CO)CC[C@H](C)O Amb28207320 [0,0,0,0,0,1|2,0,1]=4 3832 B8R0.9 CC(CO)CC[N+](=O)[O-] Amb27481503 [0,0,0,0,0,1|2,0,1]=4 3833 B8R0.9 CC(CO)CNC(N)=O Amb18832521 [0,0,0,0,0,1|2,0,0]=3 3834 B8R0.9 CC(CO)SCC(=N)N Amb27219645 [0,0,0,0,0,1|3,0,0]=4 3835 B8R0.9 CC(CO)SCC(N)=O Amb27969999 [0,0,0,0,0,1|2,0,0]=3 3836 B8R0.9 CC(O)CCC(C)CO Amb27218004 [0,0,0,0,0,1|2,0,1]=4 3837 B8R0.9 CC(O)CNC(C)CO Amb19005093 [0,0,0,0,0,1|2,0,1]=4 3838 B8R0.9 CC(O)CSC(C)CO Amb27621669 [0,0,0,0,0,1|2,0,1]=4 3839 B8R0.9 CC(\C=C\C(=O)O)CN Amb27234754 [0,0,0,0,0,1|1,0,1]=3 3840 B8R0.9 CCC(=N)NCC(N)=O Amb28049684 [0,0,0,0,0,1|2,0,1]=4 3841 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,0,0,0,0,1|1,0,1]=3 3842 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,0,0,0,0,1|1,0,1]=3 3843 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [0,0,0,0,0,1|2,0,1]=4 3844 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [0,0,0,0,0,1|2,0,1]=4 3845 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [0,0,0,0,0,1|2,0,1]=4 3846 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,0,0,0,0,1|1,0,1]=3 3847 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [0,0,0,0,0,1|2,0,1]=4 3848 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [0,0,0,0,0,1|2,0,1]=4 3849 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [0,0,0,0,0,1|2,0,1]=4 3850 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,0,0,0,0,1|1,0,2]=4 3851 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,0,0,0,0,1|1,0,2]=4 3852 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [0,0,0,0,0,1|1,0,0]=2 3853 B8R0.9 CCC(Br)COC(C)=O Amb26916647 [0,0,0,0,0,1|2,0,0]=3 3854 B8R0.9 CCC(C)C#CC(=O)O Amb28145990 [0,0,0,0,0,1|0,0,1]=2 3855 B8R0.9 CCC(C)C#CC(C)O Amb27456338 [0,0,0,0,0,1|1,0,2]=4 3856 B8R0.9 CCC(C)CCB(O)O Amb25063737 [0,0,0,0,0,1|1,0,1]=3 3857 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [0,0,0,0,0,1|0,0,0]=1 3858 B8R0.9 CCC(C)CCC(C)=O Amb22229980 [0,0,0,0,0,1|1,0,0]=2 3859 B8R0.9 CCC(C)CCC(C)Br Amb19078823 [0,0,0,0,0,1|2,0,1]=4 3860 B8R0.9 CCC(C)CCC(C)C Amb22228305 [0,0,0,0,0,1|2,0,1]=4 3861 B8R0.9 CCC(C)CCC(C)N Amb26637268 [0,0,0,0,0,1|2,0,1]=4 3862 B8R0.9 CCC(C)CCC(C)O Amb22732215 [0,0,0,0,0,1|1,0,1]=3 3863 B8R0.9 CCC(C)CCN(C)C Amb27233760 [0,0,0,0,0,1|3,0,0]=4 3864 B8R0.9 CCC(C)CC[C@@H](C)N Amb33318484 [0,0,0,0,0,1|2,0,1]=4 3865 B8R0.9 CCC(C)CC[C@@H](C)O Amb26485746 [0,0,0,0,0,1|1,0,1]=3 3866 B8R0.9 CCC(C)CC[C@H](C)N Amb33318483 [0,0,0,0,0,1|2,0,1]=4 3867 B8R0.9 CCC(C)CC[C@H](C)O Amb33318485 [0,0,0,0,0,1|1,0,1]=3 3868 B8R0.9 CCC(C)CC[N+](=O)[O-] Amb33226911 [0,0,0,0,0,1|1,0,1]=3 3869 B8R0.9 CCC(C)CNC(=O)Cl Amb29881345 [0,0,0,0,0,1|1,0,0]=2 3870 B8R0.9 CCC(C)CNC(C)=O Amb27643953 [0,0,0,0,0,1|1,0,0]=2 3871 B8R0.9 CCC(C)CNC(N)=O Amb27258807 [0,0,0,0,0,1|1,0,0]=2 3872 B8R0.9 CCC(C)COC(=O)Cl Amb20246588 [0,0,0,0,0,1|1,0,0]=2 3873 B8R0.9 CCC(C)COC(C)Cl Amb32715990 [0,0,0,0,0,1|2,0,1]=4 3874 B8R0.9 CCC(C)NCC(=O)O Amb7766416 [0,0,0,0,0,1|0,0,0]=1 3875 B8R0.9 CCC(C)NCC(=O)O Amb9184562 [0,0,0,0,0,1|0,0,0]=1 3876 B8R0.9 CCC(C)NCC(C)C Amb6685798 [0,0,0,0,0,1|2,0,1]=4 3877 B8R0.9 CCC(C)NCC(N)=O Amb6661064 [0,0,0,0,0,1|1,0,0]=2 3878 B8R0.9 CCC(C)NC[C@@H](C)O Amb27184367 [0,0,0,0,0,1|1,0,1]=3 3879 B8R0.9 CCC(C)OCC(=O)O Amb18307944 [0,0,0,0,0,1|0,0,0]=1 3880 B8R0.9 CCC(C)OCC(C)=O Amb27803509 [0,0,0,0,0,1|1,0,0]=2 3881 B8R0.9 CCC(C)OCC(C)O Amb28207569 [0,0,0,0,0,1|1,0,1]=3 3882 B8R0.9 CCC(C)OCC(N)=O Amb27167179 [0,0,0,0,0,1|1,0,0]=2 3883 B8R0.9 CCC(C)OC[C@H](C)O Amb27869786 [0,0,0,0,0,1|1,0,1]=3 3884 B8R0.9 CCC(C)SCC(=O)O Amb6680193 [0,0,0,0,0,1|0,0,0]=1 3885 B8R0.9 CCC(C)SCC(C)N Amb27167068 [0,0,0,0,0,1|2,0,1]=4 3886 B8R0.9 CCC(C)SCC(N)=O Amb27603087 [0,0,0,0,0,1|1,0,0]=2 3887 B8R0.9 CCC(C)SC[C@@H](C)N Amb27607392 [0,0,0,0,0,1|2,0,1]=4 3888 B8R0.9 CCC(C)SC[C@H](C)O Amb28248745 [0,0,0,0,0,1|1,0,1]=3 3889 B8R0.9 CCC(C)\C=C\C(=O)O Amb33171963 [0,0,0,0,0,1|0,0,1]=2 3890 B8R0.9 CCC(C)\C=C\C(C)=O Amb24062970 [0,0,0,0,0,1|1,0,1]=3 3891 B8R0.9 CCC(C)\C=C\C(N)=O Amb27439352 [0,0,0,0,0,1|1,0,1]=3 3892 B8R0.9 CCC(C)\C=C\[N+](=O)[O-] Amb33171818 [0,0,0,0,0,1|1,0,2]=4 3893 B8R0.9 CCC(C)\C=N\S(C)=O Amb35685181 [0,0,0,0,0,1|2,0,1]=4 3894 B8R0.9 CCC(Cl)CCC(=O)Cl Amb24524189 [0,0,0,0,0,1|2,0,0]=3 3895 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [0,0,0,0,0,1|1,0,0]=2 3896 B8R0.9 CCC(Cl)COC(=O)Cl Amb25967600 [0,0,0,0,0,1|2,0,0]=3 3897 B8R0.9 CCC(N)C#CC(=O)O Amb33168922 [0,0,0,0,0,1|1,0,1]=3 3898 B8R0.9 CCC(N)CC=C(C)C Amb27251594 [0,0,0,0,0,1|3,0,0]=4 3899 B8R0.9 CCC(N)CC=C(Cl)Cl Amb29869998 [0,0,0,0,0,1|3,0,0]=4 3900 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [0,0,0,0,0,1|1,0,0]=2 3901 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [0,0,0,0,0,1|1,0,0]=2 3902 B8R0.9 CCC(N)CCC(N)=O Amb27194979 [0,0,0,0,0,1|2,0,0]=3 3903 B8R0.9 CCC(N)CNC(N)=O Amb27437062 [0,0,0,0,0,1|2,0,0]=3 3904 B8R0.9 CCC(N)CSC(=N)N Amb27179911 [0,0,0,0,0,1|3,0,0]=4 3905 B8R0.9 CCC(N)\C=C\C(=O)O Amb27867410 [0,0,0,0,0,1|1,0,1]=3 3906 B8R0.9 CCC(O)C#CC(=O)O Amb27169546 [0,0,0,0,0,1|1,0,1]=3 3907 B8R0.9 CCC(O)CCB(O)O Amb24353745 [0,0,0,0,0,1|2,0,1]=4 3908 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [0,0,0,0,0,1|1,0,0]=2 3909 B8R0.9 CCC(O)CCC(N)=O Amb27234638 [0,0,0,0,0,1|2,0,0]=3 3910 B8R0.9 CCC(O)CC[C@@H](C)O Amb28049249 [0,0,0,0,0,1|2,0,1]=4 3911 B8R0.9 CCC(O)CNC(N)=O Amb27235306 [0,0,0,0,0,1|2,0,0]=3 3912 B8R0.9 CCC(O)COC(N)=O Amb27175099 [0,0,0,0,0,1|2,0,0]=3 3913 B8R0.9 CCC(O)CSC(=N)N Amb27179945 [0,0,0,0,0,1|3,0,0]=4 3914 B8R0.9 CCC(O)C\C=C(\C)Br Amb27405191 [0,0,0,0,0,1|3,0,0]=4 3915 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [0,0,0,0,0,1|1,0,0]=2 3916 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [0,0,0,0,0,1|1,0,0]=2 3917 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [0,0,0,0,0,1|1,0,0]=2 3918 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [0,0,0,0,0,1|2,0,0]=3 3919 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [0,0,0,0,0,1|2,0,0]=3 3920 B8R0.9 CCS(=O)NCC(N)=O Amb27433455 [0,0,0,0,0,1|3,0,0]=4 3921 B8R0.9 CCS(=O)\C=C\C(=O)O Amb28347741 [0,0,0,0,0,1|2,0,1]=4 3922 B8R0.9 CC[C@@H](Br)COC(C)=O Amb28254442 [0,0,0,0,0,1|2,0,0]=3 3923 B8R0.9 CC[C@@H](C)C#CC(=O)O Amb27975780 [0,0,0,0,0,1|0,0,1]=2 3924 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [0,0,0,0,0,1|0,0,0]=1 3925 B8R0.9 CC[C@@H](C)\C=C\C(=O)O Amb24117189 [0,0,0,0,0,1|0,0,1]=2 3926 B8R0.9 CC[C@@H](N)CSC(=N)N Amb27392045 [0,0,0,0,0,1|3,0,0]=4 3927 B8R0.9 CC[C@@H](O)CCC(N)=O Amb27254154 [0,0,0,0,0,1|2,0,0]=3 3928 B8R0.9 CC[C@H](C)C#CC(=O)O Amb28132200 [0,0,0,0,0,1|0,0,1]=2 3929 B8R0.9 CC[C@H](C)CCC(C)=O Amb27447760 [0,0,0,0,0,1|1,0,0]=2 3930 B8R0.9 CC[C@H](C)CCC(N)=O Amb28346481 [0,0,0,0,0,1|1,0,0]=2 3931 B8R0.9 CC[C@H](C)CC[C@H](C)O Amb27807458 [0,0,0,0,0,1|1,0,1]=3 3932 B8R0.9 CC[C@H](C)CNC(N)=S Amb28285101 [0,0,0,0,0,1|1,1,0]=3 3933 B8R0.9 CC[C@H](C)COC(C)=O Amb27408010 [0,0,0,0,0,1|1,0,0]=2 3934 B8R0.9 CC[C@H](N)\C=C\C(=O)O Amb27878954 [0,0,0,0,0,1|1,0,1]=3 3935 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [0,0,0,0,0,1|1,0,0]=2 3936 B8R0.9 CC[C@H](O)CNC(C)=O Amb27762160 [0,0,0,0,0,1|2,0,0]=3 3937 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,0,0,0,0,1|0,0,1]=2 3938 B8R0.9 CC\C(C)=N/NC(N)=O Amb2612373 [0,0,0,0,0,1|2,0,1]=4 3939 B8R0.9 CN(C#N)CCC(=O)O Amb35634504 [0,0,0,0,0,1|2,0,1]=4 3940 B8R0.9 CN(CCC(=O)O)N=O Amb17618592 [0,0,0,0,0,1|3,0,0]=4 3941 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,0,0,0,0,1|2,0,1]=4 3942 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,0,0,0,0,1|2,0,1]=4 3943 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,0,0,0,0,1|2,0,1]=4 3944 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,0,0,0,0,1|2,0,1]=4 3945 B8R0.9 CNC(C)CCS(C)=O Amb27791401 [0,0,0,0,0,1|3,0,0]=4 3946 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,0,0,0,0,1|2,0,1]=4 3947 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,0,0,0,0,1|2,0,1]=4 3948 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,0,0,0,0,1|2,0,1]=4 3949 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,0,0,0,0,1|2,0,1]=4 3950 B8R0.9 COC(C)CCC(=O)O Amb24271104 [0,0,0,0,0,1|1,0,0]=2 3951 B8R0.9 COC(C)CCC(C)=O Amb25880180 [0,0,0,0,0,1|2,0,0]=3 3952 B8R0.9 COC(C)CNC(=O)Cl Amb35633401 [0,0,0,0,0,1|2,0,0]=3 3953 B8R0.9 COC(C)COC(=O)Cl Amb32656121 [0,0,0,0,0,1|2,0,0]=3 3954 B8R0.9 COC(C)COC(C)=O Amb22734341 [0,0,0,0,0,1|2,0,0]=3 3955 B8R0.9 COC(C)OCC(C)=O Amb24378350 [0,0,0,0,0,1|2,0,0]=3 3956 B8R0.9 COC(C)\C=C\C(=O)O Amb27203687 [0,0,0,0,0,1|1,0,1]=3 3957 B8R0.9 COC(C)\C=C\C(C)=O Amb27841431 [0,0,0,0,0,1|2,0,1]=4 3958 B8R0.9 COC(F)C#CC(=O)O Amb33169067 [0,0,0,0,0,1|2,0,1]=4 3959 B8R0.9 CON(C)CCC(=O)O Amb27881744 [0,0,0,0,0,1|2,0,0]=3 3960 B8R0.9 CON(C)\C=C\C(=O)O Amb35734889 [0,0,0,0,0,1|2,0,1]=4 3961 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [0,0,0,0,0,1|1,0,0]=2 3962 B8R0.9 CO[C@@H](C)CC[C@@H](C)O Amb28065305 [0,0,0,0,0,1|2,0,1]=4 3963 B8R0.9 CO[C@@H](C)CNC(=N)N Amb35637333 [0,0,0,0,0,1|3,0,0]=4 3964 B8R0.9 CO[C@@H](C)CNC(C)=O Amb35605355 [0,0,0,0,0,1|2,0,0]=3 3965 B8R0.9 CO[C@@H](C)CNC(N)=O Amb35641866 [0,0,0,0,0,1|2,0,0]=3 3966 B8R0.9 CO[C@H](C)CNC(=N)N Amb35637343 [0,0,0,0,0,1|3,0,0]=4 3967 B8R0.9 CO[C@H](C)CNC(C)=O Amb30024558 [0,0,0,0,0,1|2,0,0]=3 3968 B8R0.9 CO[C@H](C)CNC(N)=O Amb29883111 [0,0,0,0,0,1|2,0,0]=3 3969 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,0,0,0,0,1|1,0,1]=3 3970 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,0,0,0,0,1|3,0,0]=4 3971 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [0,0,0,0,0,1|1,0,0]=2 3972 B8R0.9 CSC(C)CCC(N)=O Amb27247670 [0,0,0,0,0,1|2,0,0]=3 3973 B8R0.9 CSC(C)CNC(=N)N Amb28187786 [0,0,0,0,0,1|3,0,0]=4 3974 B8R0.9 CSC(C)CNC(=O)Cl Amb35633460 [0,0,0,0,0,1|2,0,0]=3 3975 B8R0.9 CSC(C)CNC(N)=S Amb28206418 [0,0,0,0,0,1|2,1,0]=4 3976 B8R0.9 C[C@@H](CN)CC[N+](=O)[O-] Amb33744961 [0,0,0,0,0,1|2,0,1]=4 3977 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] Amb13883660 [0,0,0,0,0,1|2,0,1]=4 3978 B8R0.9 C[C@H](CN)CC[N+](=O)[O-] Amb33748017 [0,0,0,0,0,1|2,0,1]=4 3979 B8R0.9 C[C@H](CO)CC[N+](=O)[O-] Amb33743126 [0,0,0,0,0,1|2,0,1]=4 3980 B8R0.9 C[C@H](O)CC[C@H](C)CO Amb28049197 [0,0,0,0,0,1|2,0,1]=4 3981 B8R0.9 C[C@H](O)CO[C@@H](C)CO Amb27761584 [0,0,0,0,0,1|2,0,1]=4 3982 B8R0.9 C\C(C#N)=C\CC(=O)O Amb27196398 [0,0,0,0,0,1|1,0,2]=4 3983 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,0,0,0,0,1|2,0,1]=4 3984 B8R0.9 C\C=C(C)/C=C/C(=O)O Amb27838460 [0,0,0,0,0,1|0,0,3]=4 3985 B8R0.9 C\C=C(C)\C=C\C(=O)O Amb18642399 [0,0,0,0,0,1|0,0,3]=4 3986 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,0,0,0,0,1|1,0,2]=4 3987 B8R0.9 C\C=C(\C)OCC(C)=O Amb27844138 [0,0,0,0,0,1|1,0,2]=4 3988 B8R0.9 N#CC(N)CCC(=O)O Amb27596135 [0,0,0,0,0,1|2,0,1]=4 3989 B8R0.9 N#CC(N)CCC(=O)O Amb30666632 [0,0,0,0,0,1|2,0,1]=4 3990 B8R0.9 N=C(CCl)NCC(=O)O Amb28282661 [0,0,0,0,0,1|2,0,1]=4 3991 B8R0.9 NC(=O)CCC(O)CO Amb28073389 [0,0,0,0,0,1|3,0,0]=4 3992 B8R0.9 NC(=O)CC[C@H](N)CF Amb27431484 [0,0,0,0,0,1|3,0,0]=4 3993 B8R0.9 NC(=O)CC[C@H](N)CO Amb24368577 [0,0,0,0,0,1|3,0,0]=4 3994 B8R0.9 NC(=O)OCC(Br)CBr Amb22732242 [0,0,0,0,0,1|3,0,0]=4 3995 B8R0.9 NC(=O)OCC(Cl)CCl Amb27771643 [0,0,0,0,0,1|3,0,0]=4 3996 B8R0.9 NC(=O)OCC(N)CO Amb27956487 [0,0,0,0,0,1|3,0,0]=4 3997 B8R0.9 NC(CCl)CCC(=O)O Amb27440510 [0,0,0,0,0,1|2,0,0]=3 3998 B8R0.9 NC(CF)CCC(=O)Cl Amb27876552 [0,0,0,0,0,1|3,0,0]=4 3999 B8R0.9 NC(CF)CCC(=O)O Amb19148378 [0,0,0,0,0,1|2,0,0]=3 4000 B8R0.9 NC(CF)CCC(=O)O Amb33473114 [0,0,0,0,0,1|2,0,0]=3 4001 B8R0.9 NC(CO)CCC(=O)O Amb18642916 [0,0,0,0,0,1|2,0,0]=3 4002 B8R0.9 NC(CO)CCC(=O)O Amb32665461 [0,0,0,0,0,1|2,0,0]=3 4003 B8R0.9 NC(CS)CCC(=O)O Amb27458291 [0,0,0,0,0,1|2,0,0]=3 4004 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,0,0,0,0,1|2,0,1]=4 4005 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,0,0,0,0,1|2,0,1]=4 4006 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,0,0,0,0,1|2,0,1]=4 4007 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,0,0,0,0,1|2,0,1]=4 4008 B8R0.9 NCC(N)CCC(=O)O Amb19328773 [0,0,0,0,0,1|2,0,0]=3 4009 B8R0.9 NCC(N)CCC(=O)O Amb27837536 [0,0,0,0,0,1|2,0,0]=3 4010 B8R0.9 NCC(O)CCC(=O)O Amb29838305 [0,0,0,0,0,1|2,0,0]=3 4011 B8R0.9 NCC(O)CCC(=O)[O-] Amb33330648 [0,0,0,0,0,1|2,0,1]=4 4012 B8R0.9 NCC(O)CNC(N)=O Amb27838588 [0,0,0,0,0,1|3,0,0]=4 4013 B8R0.9 NCC(O)CNC(N)=O Amb33457634 [0,0,0,0,0,1|3,0,0]=4 4014 B8R0.9 NC[C@@H](O)CCC(=O)O Amb27477096 [0,0,0,0,0,1|2,0,0]=3 4015 B8R0.9 NC[C@H](N)CCC(=O)O Amb28068164 [0,0,0,0,0,1|2,0,0]=3 4016 B8R0.9 N[C@@H](CS)CCC(=O)O Amb28341808 [0,0,0,0,0,1|2,0,0]=3 4017 B8R0.9 N[C@H](CF)CCC(=O)O Amb32729481 [0,0,0,0,0,1|2,0,0]=3 4018 B8R0.9 N[C@H](CO)CCC(=O)O Amb24685421 [0,0,0,0,0,1|2,0,0]=3 4019 B8R0.9 N[C@H](CO)CCC(=O)O Amb32664911 [0,0,0,0,0,1|2,0,0]=3 4020 B8R0.9 O=C(Cl)OCC(Cl)CCl Amb27758582 [0,0,0,0,0,1|3,0,0]=4 4021 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,0,0,0,0,1|2,0,1]=4 4022 B8R0.9 O=C(O)CCC(O)CCl Amb27799910 [0,0,0,0,0,1|2,0,0]=3 4023 B8R0.9 O=C(O)CCC(S)CS Amb27407074 [0,0,0,0,0,1|2,0,0]=3 4024 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,0,0,0,0,1|2,0,1]=4 4025 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,0,0,0,0,1|2,0,1]=4 4026 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,0,0,0,0,1|2,0,1]=4 4027 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,0,0,0,0,1|2,0,1]=4 4028 B8R0.9 O=C(O)\C=C\C(O)CO Amb18642875 [0,0,0,0,0,1|2,0,1]=4 4029 B8R0.9 O=C(O)\C=C\[C@H](O)CO Amb27437218 [0,0,0,0,0,1|2,0,1]=4 4030 B5R0.1 BC(=O)NCC Amb27430059 [2,0,0,0,0,0|2,0,0]=4 4031 B5R0.1 C#CCC(=O)O Amb33532662 [2,0,0,0,0,0|0,0,2]=4 4032 B5R0.1 C#CCC(C)C Amb3941531 [2,0,0,0,0,0|1,0,1]=4 4033 B5R0.1 C#NCC(C)C Amb31132436 [2,0,0,0,0,0|2,0,0]=4 4034 B5R0.1 C=C(C)CC=O Amb28202583 [2,0,0,0,0,0|0,0,2]=4 4035 B5R0.1 C=C(C)CCC Amb8513259 [2,0,0,0,0,0|2,0,0]=4 4036 B5R0.1 C=CCC(=O)O Amb3940098 [2,0,0,0,0,0|0,0,2]=4 4037 B5R0.1 C=CCC(C)Br Amb26870150 [2,0,0,0,0,0|2,0,0]=4 4038 B5R0.1 C=CCC(C)C Amb8513260 [2,0,0,0,0,0|1,0,0]=3 4039 B5R0.1 C=CCC(C)Cl Amb26588784 [2,0,0,0,0,0|2,0,0]=4 4040 B5R0.1 C=CCC(C)N Amb17673480 [2,0,0,0,0,0|2,0,0]=4 4041 B5R0.1 C=CCC(C)N Amb19515336 [2,0,0,0,0,0|2,0,0]=4 4042 B5R0.1 C=CCC(C)O Amb33539328 [2,0,0,0,0,0|2,0,0]=4 4043 B5R0.1 C=CC[C@@H](C)O Amb22225370 [2,0,0,0,0,0|2,0,0]=4 4044 B5R0.1 C=CC[C@H](C)N Amb28315904 [2,0,0,0,0,0|2,0,0]=4 4045 B5R0.1 C=CC[C@H](C)O Amb22226758 [2,0,0,0,0,0|2,0,0]=4 4046 B5R0.1 C=CNC(C)C Amb28075363 [2,0,0,0,0,0|2,0,0]=4 4047 B5R0.1 C=COC(C)C Amb22230777 [2,0,0,0,0,0|2,0,0]=4 4048 B5R0.1 CC#CC(=O)O Amb2685714 [2,0,0,0,0,0|0,0,2]=4 4049 B5R0.1 CC(=O)CCBr Amb24078246 [2,0,0,0,0,0|2,0,0]=4 4050 B5R0.1 CC(=O)CCCl Amb2720823 [2,0,0,0,0,0|2,0,0]=4 4051 B5R0.1 CC(=O)CCF Amb26427773 [2,0,0,0,0,0|2,0,0]=4 4052 B5R0.1 CC(=O)CCN Amb18632933 [2,0,0,0,0,0|2,0,0]=4 4053 B5R0.1 CC(=O)CCN Amb33544540 [2,0,0,0,0,0|2,0,0]=4 4054 B5R0.1 CC(=O)CCO Amb836357 [2,0,0,0,0,0|2,0,0]=4 4055 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [2,0,0,0,0,0|2,0,0]=4 4056 B5R0.1 CC(C)=CC=O Amb8385061 [2,0,0,0,0,0|0,0,2]=4 4057 B5R0.1 CC(C)C=C=O Amb27858445 [2,0,0,0,0,0|0,0,2]=4 4058 B5R0.1 CC(C)CC#N Amb1162737 [2,0,0,0,0,0|1,0,1]=4 4059 B5R0.1 CC(C)CC=O Amb3939851 [2,0,0,0,0,0|0,0,0]=2 4060 B5R0.1 CC(C)CCBr Amb2795762 [2,0,0,0,0,0|1,0,1]=4 4061 B5R0.1 CC(C)CCCl Amb3941523 [2,0,0,0,0,0|1,0,1]=4 4062 B5R0.1 CC(C)CCI Amb6296701 [2,0,0,0,0,0|1,0,1]=4 4063 B5R0.1 CC(C)CCN Amb22337707 [2,0,0,0,0,0|1,0,1]=4 4064 B5R0.1 CC(C)CCN Amb3939010 [2,0,0,0,0,0|1,0,1]=4 4065 B5R0.1 CC(C)CCO Amb4605831 [2,0,0,0,0,0|0,0,1]=3 4066 B5R0.1 CC(C)CCS Amb8513472 [2,0,0,0,0,0|0,1,1]=4 4067 B5R0.1 CC(C)CNN Amb1105732 [2,0,0,0,0,0|2,0,0]=4 4068 B5R0.1 CC(C)CNN Amb22886984 [2,0,0,0,0,0|2,0,0]=4 4069 B5R0.1 CC(C)CNN Amb2691317 [2,0,0,0,0,0|2,0,0]=4 4070 B5R0.1 CC(C)CNO Amb25887512 [2,0,0,0,0,0|1,0,0]=3 4071 B5R0.1 CC(C)CON Amb19889788 [2,0,0,0,0,0|2,0,0]=4 4072 B5R0.1 CC(C)CON Amb2819061 [2,0,0,0,0,0|2,0,0]=4 4073 B5R0.1 CC(C)N=C=O Amb3939055 [2,0,0,0,0,0|1,0,1]=4 4074 B5R0.1 CC(C)NC=O Amb4017634 [2,0,0,0,0,0|1,0,0]=3 4075 B5R0.1 CC(C)NC=S Amb28049627 [2,0,0,0,0,0|1,1,0]=4 4076 B5R0.1 CC(C)OC=N Amb22337834 [2,0,0,0,0,0|2,0,0]=4 4077 B5R0.1 CC(C)OC=O Amb9787311 [2,0,0,0,0,0|1,0,0]=3 4078 B5R0.1 CC(C)ON=O Amb17938692 [2,0,0,0,0,0|2,0,0]=4 4079 B5R0.1 CC(C)\C=N\O Amb2455920 [2,0,0,0,0,0|1,0,1]=4 4080 B5R0.1 CC(Cl)CCO Amb27625144 [2,0,0,0,0,0|1,0,1]=4 4081 B5R0.1 CC(F)CC=O Amb28051612 [2,0,0,0,0,0|1,0,0]=3 4082 B5R0.1 CC(F)CCO Amb21951900 [2,0,0,0,0,0|1,0,1]=4 4083 B5R0.1 CC(N)CCO Amb2697504 [2,0,0,0,0,0|1,0,1]=4 4084 B5R0.1 CC(N)CCO Amb32666060 [2,0,0,0,0,0|1,0,1]=4 4085 B5R0.1 CC(O)CC=O Amb4036424 [2,0,0,0,0,0|1,0,0]=3 4086 B5R0.1 CC(O)CCO Amb6608662 [2,0,0,0,0,0|1,0,1]=4 4087 B5R0.1 CC(O)NC=O Amb28049622 [2,0,0,0,0,0|2,0,0]=4 4088 B5R0.1 CC(S)CCO Amb19148316 [2,0,0,0,0,0|1,0,1]=4 4089 B5R0.1 CCCB(O)O Amb2447105 [2,0,0,0,0,0|1,0,1]=4 4090 B5R0.1 CCCC(=N)N Amb10610381 [2,0,0,0,0,0|2,0,0]=4 4091 B5R0.1 CCCC(=N)N Amb2695914 [2,0,0,0,0,0|2,0,0]=4 4092 B5R0.1 CCCC(=O)Br Amb22734023 [2,0,0,0,0,0|1,0,0]=3 4093 B5R0.1 CCCC(=O)Cl Amb2792903 [2,0,0,0,0,0|1,0,0]=3 4094 B5R0.1 CCCC(=O)O Amb3939012 [2,0,0,0,0,0|0,0,0]=2 4095 B5R0.1 CCCC(=O)[O-] Amb8514901 [2,0,0,0,0,0|0,0,1]=3 4096 B5R0.1 CCCC(=S)Cl Amb24626931 [2,0,0,0,0,0|1,1,0]=4 4097 B5R0.1 CCCC(C)=O Amb6608910 [2,0,0,0,0,0|1,0,0]=3 4098 B5R0.1 CCCC(C)O Amb4605839 [2,0,0,0,0,0|1,0,1]=4 4099 B5R0.1 CCCC(N)=O Amb3886524 [2,0,0,0,0,0|1,0,0]=3 4100 B5R0.1 CCCC(N)=S Amb6245403 [2,0,0,0,0,0|1,1,0]=4 4101 B5R0.1 CCCC(N)=[NH2+] Amb8384484 [2,0,0,0,0,0|2,0,0]=4 4102 B5R0.1 CCCC(O)=S Amb22229383 [2,0,0,0,0,0|0,1,0]=3 4103 B5R0.1 CCCC(O)Cl Amb22552567 [2,0,0,0,0,0|1,0,1]=4 4104 B5R0.1 CCCC(O)O Amb26364594 [2,0,0,0,0,0|0,0,2]=4 4105 B5R0.1 CCCN(C)O Amb25024622 [2,0,0,0,0,0|2,0,0]=4 4106 B5R0.1 CCCS(=O)Cl Amb25025566 [2,0,0,0,0,0|2,0,0]=4 4107 B5R0.1 CCCS(=O)[O-] Amb19929119 [2,0,0,0,0,0|1,0,1]=4 4108 B5R0.1 CCCS(N)=O Amb24733579 [2,0,0,0,0,0|2,0,0]=4 4109 B5R0.1 CCC[C@@H](C)O Amb8628178 [2,0,0,0,0,0|1,0,1]=4 4110 B5R0.1 CCC[C@@H](N)O Amb28074861 [2,0,0,0,0,0|1,0,1]=4 4111 B5R0.1 CCC[C@H](C)O Amb8389338 [2,0,0,0,0,0|1,0,1]=4 4112 B5R0.1 CCC[N+](=O)[O-] Amb8513268 [2,0,0,0,0,0|1,0,1]=4 4113 B5R0.1 CCNC(=O)Cl Amb25791793 [2,0,0,0,0,0|2,0,0]=4 4114 B5R0.1 CCNC(C)=O Amb2780415 [2,0,0,0,0,0|2,0,0]=4 4115 B5R0.1 CCNC(N)=O Amb6608844 [2,0,0,0,0,0|2,0,0]=4 4116 B5R0.1 CCOC(=O)Cl Amb2793045 [2,0,0,0,0,0|2,0,0]=4 4117 B5R0.1 CCOC(=O)O Amb8393208 [2,0,0,0,0,0|1,0,0]=3 4118 B5R0.1 CCOC(C)=O Amb3940488 [2,0,0,0,0,0|2,0,0]=4 4119 B5R0.1 CCOC(N)=O Amb6608672 [2,0,0,0,0,0|2,0,0]=4 4120 B5R0.1 CCO[PH](=O)O Amb22360741 [2,0,0,0,0,0|2,0,0]=4 4121 B5R0.1 CCO[Si](=O)O Amb26569259 [2,0,0,0,0,0|1,1,0]=4 4122 B5R0.1 CCSC(=O)Cl Amb8516064 [2,0,0,0,0,0|2,0,0]=4 4123 B5R0.1 CN(C)CC=O Amb22002191 [2,0,0,0,0,0|1,0,0]=3 4124 B5R0.1 CN(C)CC=O Amb22491245 [2,0,0,0,0,0|1,0,0]=3 4125 B5R0.1 CN(C)CCO Amb2793033 [2,0,0,0,0,0|1,0,1]=4 4126 B5R0.1 CN(C)NC=O Amb1930732 [2,0,0,0,0,0|2,0,0]=4 4127 B5R0.1 CNCC(=O)O Amb6298808 [2,0,0,0,0,0|1,0,0]=3 4128 B5R0.1 CNCC(=O)O Amb6599996 [2,0,0,0,0,0|1,0,0]=3 4129 B5R0.1 CNCC(=O)[O-] Amb20246714 [2,0,0,0,0,0|1,0,1]=4 4130 B5R0.1 CNCC(C)=O Amb17621974 [2,0,0,0,0,0|2,0,0]=4 4131 B5R0.1 CNCC(C)=O Amb21959975 [2,0,0,0,0,0|2,0,0]=4 4132 B5R0.1 CNCC(C)C Amb1119103 [2,0,0,0,0,0|2,0,0]=4 4133 B5R0.1 CNCC(C)C Amb13951443 [2,0,0,0,0,0|2,0,0]=4 4134 B5R0.1 CNCC(N)=O Amb19134307 [2,0,0,0,0,0|2,0,0]=4 4135 B5R0.1 CNCC(N)=O Amb3940074 [2,0,0,0,0,0|2,0,0]=4 4136 B5R0.1 CNCC(N)=O Amb9151172 [2,0,0,0,0,0|2,0,0]=4 4137 B5R0.1 COCC(=O)Cl Amb3939326 [2,0,0,0,0,0|2,0,0]=4 4138 B5R0.1 COCC(=O)O Amb3939876 [2,0,0,0,0,0|1,0,0]=3 4139 B5R0.1 COCC(C)=O Amb8513767 [2,0,0,0,0,0|2,0,0]=4 4140 B5R0.1 COCC(C)C Amb26897702 [2,0,0,0,0,0|2,0,0]=4 4141 B5R0.1 COCC(N)=O Amb1153776 [2,0,0,0,0,0|2,0,0]=4 4142 B5R0.1 CSCC(=O)Cl Amb24528357 [2,0,0,0,0,0|2,0,0]=4 4143 B5R0.1 CSCC(=O)O Amb1152425 [2,0,0,0,0,0|1,0,0]=3 4144 B5R0.1 CSCC(C)=O Amb20621731 [2,0,0,0,0,0|2,0,0]=4 4145 B5R0.1 CSCC(N)=O Amb19515874 [2,0,0,0,0,0|2,0,0]=4 4146 B5R0.1 C[C@@H](N)CCO Amb19515999 [2,0,0,0,0,0|1,0,1]=4 4147 B5R0.1 C[C@@H](N)CCO Amb22746127 [2,0,0,0,0,0|1,0,1]=4 4148 B5R0.1 C[C@@H](O)CCO Amb4166294 [2,0,0,0,0,0|1,0,1]=4 4149 B5R0.1 C[C@@H](S)CCO Amb27255216 [2,0,0,0,0,0|1,0,1]=4 4150 B5R0.1 C[C@H](F)CCO Amb28428651 [2,0,0,0,0,0|1,0,1]=4 4151 B5R0.1 C[C@H](N)CCO Amb19515998 [2,0,0,0,0,0|1,0,1]=4 4152 B5R0.1 C[C@H](N)CCO Amb24055217 [2,0,0,0,0,0|1,0,1]=4 4153 B5R0.1 C[C@H](O)CC=O Amb27595676 [2,0,0,0,0,0|1,0,0]=3 4154 B5R0.1 C[C@H](O)CCO Amb4166300 [2,0,0,0,0,0|1,0,1]=4 4155 B5R0.1 C[NH2+]CC(N)=O Amb4303509 [2,0,0,0,0,0|2,0,0]=4 4156 B5R0.1 C\C=C/C(=O)O Amb27779315 [2,0,0,0,0,0|0,0,2]=4 4157 B5R0.1 C\C=C/C(C)C Amb20618870 [2,0,0,0,0,0|1,0,1]=4 4158 B5R0.1 C\C=C\C(=O)O Amb8385856 [2,0,0,0,0,0|0,0,2]=4 4159 B5R0.1 C\C=C\C(C)C Amb4019538 [2,0,0,0,0,0|1,0,1]=4 4160 B5R0.1 N#CCC(=O)O Amb2609022 [2,0,0,0,0,0|1,0,1]=4 4161 B5R0.1 NC(=O)CCBr Amb21618712 [2,0,0,0,0,0|2,0,0]=4 4162 B5R0.1 NC(=O)CCCl Amb1127569 [2,0,0,0,0,0|2,0,0]=4 4163 B5R0.1 NC(=O)CCF Amb28289353 [2,0,0,0,0,0|2,0,0]=4 4164 B5R0.1 NC(=O)CCI Amb27966778 [2,0,0,0,0,0|2,0,0]=4 4165 B5R0.1 NC(=O)CCO Amb9421407 [2,0,0,0,0,0|2,0,0]=4 4166 B5R0.1 NC(=O)CCS Amb27154802 [2,0,0,0,0,0|2,0,0]=4 4167 B5R0.1 NCCC(=O)Cl Amb24117140 [2,0,0,0,0,0|2,0,0]=4 4168 B5R0.1 NCCC(=O)O Amb1935127 [2,0,0,0,0,0|1,0,0]=3 4169 B5R0.1 NCCC(=O)[O-] Amb28991330 [2,0,0,0,0,0|1,0,1]=4 4170 B5R0.1 NCCC(N)=O Amb1137251 [2,0,0,0,0,0|2,0,0]=4 4171 B5R0.1 NCCC(N)=O Amb9147573 [2,0,0,0,0,0|2,0,0]=4 4172 B5R0.1 NCCS(=O)O Amb6600043 [2,0,0,0,0,0|2,0,0]=4 4173 B5R0.1 NCC[PH](=O)O Amb22168066 [2,0,0,0,0,0|2,0,0]=4 4174 B5R0.1 NCC[PH](=O)O Amb35788864 [2,0,0,0,0,0|2,0,0]=4 4175 B5R0.1 NNCC(=O)O Amb32751165 [2,0,0,0,0,0|2,0,0]=4 4176 B5R0.1 NNCC(=O)O Amb6740299 [2,0,0,0,0,0|2,0,0]=4 4177 B5R0.1 NOCC(=O)O Amb1154237 [2,0,0,0,0,0|2,0,0]=4 4178 B5R0.1 NOCC(=O)O Amb4324355 [2,0,0,0,0,0|2,0,0]=4 4179 B5R0.1 NOCC(=O)O Amb8513076 [2,0,0,0,0,0|2,0,0]=4 4180 B5R0.1 O=C(Br)CCBr Amb24624022 [2,0,0,0,0,0|2,0,0]=4 4181 B5R0.1 O=C(Cl)CCBr Amb3941484 [2,0,0,0,0,0|2,0,0]=4 4182 B5R0.1 O=C(Cl)CCCl Amb3939313 [2,0,0,0,0,0|2,0,0]=4 4183 B5R0.1 O=C(Cl)CCF Amb27148631 [2,0,0,0,0,0|2,0,0]=4 4184 B5R0.1 O=C(Cl)CCI Amb28454579 [2,0,0,0,0,0|2,0,0]=4 4185 B5R0.1 O=C(Cl)CCO Amb27270014 [2,0,0,0,0,0|2,0,0]=4 4186 B5R0.1 O=C(F)CCCl Amb27257545 [2,0,0,0,0,0|2,0,0]=4 4187 B5R0.1 O=C(O)CCBr Amb2685479 [2,0,0,0,0,0|1,0,0]=3 4188 B5R0.1 O=C(O)CCCl Amb5395408 [2,0,0,0,0,0|1,0,0]=3 4189 B5R0.1 O=C(O)CCF Amb10603694 [2,0,0,0,0,0|1,0,0]=3 4190 B5R0.1 O=C(O)CCI Amb2688882 [2,0,0,0,0,0|1,0,0]=3 4191 B5R0.1 O=C(O)CCO Amb2688785 [2,0,0,0,0,0|1,0,0]=3 4192 B5R0.1 O=C(O)CCS Amb6608916 [2,0,0,0,0,0|1,0,0]=3 4193 B5R0.1 O=C(O)CNO Amb24120360 [2,0,0,0,0,0|2,0,0]=4 4194 B5R0.1 O=C(S)CCCl Amb27461454 [2,0,0,0,0,0|1,1,0]=4 4195 B5R0.1 O=C([O-])CCO Amb22055495 [2,0,0,0,0,0|1,0,1]=4 4196 B5R0.1 O=CCC(=O)O Amb22169407 [2,0,0,0,0,0|1,0,1]=4 4197 B5R0.1 O=CCC(Cl)Cl Amb27749867 [2,0,0,0,0,0|2,0,0]=4 4198 B5R0.1 O=CCC(F)F Amb27234494 [2,0,0,0,0,0|2,0,0]=4 4199 B5R0.1 O=S(O)CCO Amb25937057 [2,0,0,0,0,0|2,0,0]=4 4200 B5R0.1 [C-]#[N+]CC(C)C Amb22900913 [2,0,0,0,0,0|2,0,0]=4 4201 B5R0.2 C#CCCC=O Amb28049678 [2,0,0,0,0,0|0,0,2]=4 4202 B5R0.2 C#CCCCC Amb4135448 [2,0,0,0,0,0|1,0,1]=4 4203 B5R0.2 C#NCCCC Amb31132446 [2,0,0,0,0,0|2,0,0]=4 4204 B5R0.2 C=CCCC=O Amb4358616 [2,0,0,0,0,0|0,0,2]=4 4205 B5R0.2 C=CCCCBr Amb3940219 [2,0,0,0,0,0|2,0,0]=4 4206 B5R0.2 C=CCCCC Amb3940497 [2,0,0,0,0,0|1,0,0]=3 4207 B5R0.2 C=CCCCCl Amb22229585 [2,0,0,0,0,0|2,0,0]=4 4208 B5R0.2 C=CCCCF Amb25689705 [2,0,0,0,0,0|2,0,0]=4 4209 B5R0.2 C=CCCCI Amb25278794 [2,0,0,0,0,0|2,0,0]=4 4210 B5R0.2 C=CCCCN Amb18299670 [2,0,0,0,0,0|2,0,0]=4 4211 B5R0.2 C=CCCCN Amb22001451 [2,0,0,0,0,0|2,0,0]=4 4212 B5R0.2 C=CCCCO Amb8513439 [2,0,0,0,0,0|2,0,0]=4 4213 B5R0.2 C=CCCC[CH2-] Amb32644015 [2,0,0,0,0,0|1,0,1]=4 4214 B5R0.2 C=CCCNC Amb18993048 [2,0,0,0,0,0|2,0,0]=4 4215 B5R0.2 C=CCCNC Amb33553635 [2,0,0,0,0,0|2,0,0]=4 4216 B5R0.2 C=CCCOC Amb28065418 [2,0,0,0,0,0|2,0,0]=4 4217 B5R0.2 C=CCCSC Amb24431590 [2,0,0,0,0,0|2,0,0]=4 4218 B5R0.2 C=CCNCC Amb13951161 [2,0,0,0,0,0|2,0,0]=4 4219 B5R0.2 C=CCNCC Amb6683951 [2,0,0,0,0,0|2,0,0]=4 4220 B5R0.2 C=CCOCC Amb2684299 [2,0,0,0,0,0|2,0,0]=4 4221 B5R0.2 C=CCSCC Amb6366495 [2,0,0,0,0,0|2,0,0]=4 4222 B5R0.2 C=CNCCC Amb27461242 [2,0,0,0,0,0|2,0,0]=4 4223 B5R0.2 C=COCCC Amb17940706 [2,0,0,0,0,0|2,0,0]=4 4224 B5R0.2 CC#CCC=O Amb27850282 [2,0,0,0,0,0|0,0,2]=4 4225 B5R0.2 CCC#CC=O Amb25663194 [2,0,0,0,0,0|0,0,2]=4 4226 B5R0.2 CCCCC#N Amb6662839 [2,0,0,0,0,0|1,0,1]=4 4227 B5R0.2 CCCCC=O Amb3939655 [2,0,0,0,0,0|0,0,0]=2 4228 B5R0.2 CCCCCBr Amb3940084 [2,0,0,0,0,0|1,0,1]=4 4229 B5R0.2 CCCCCC Amb2447471 [2,0,0,0,0,0|1,0,1]=4 4230 B5R0.2 CCCCCCl Amb8514576 [2,0,0,0,0,0|1,0,1]=4 4231 B5R0.2 CCCCCF Amb10838686 [2,0,0,0,0,0|1,0,1]=4 4232 B5R0.2 CCCCCI Amb6891946 [2,0,0,0,0,0|1,0,1]=4 4233 B5R0.2 CCCCCN Amb3939830 [2,0,0,0,0,0|1,0,1]=4 4234 B5R0.2 CCCCCO Amb3939051 [2,0,0,0,0,0|0,0,1]=3 4235 B5R0.2 CCCCCS Amb8513287 [2,0,0,0,0,0|0,1,1]=4 4236 B5R0.2 CCCCC[SiH3] Amb19893989 [2,0,0,0,0,0|1,0,1]=4 4237 B5R0.2 CCCCNC Amb3939351 [2,0,0,0,0,0|2,0,0]=4 4238 B5R0.2 CCCCNN Amb1105203 [2,0,0,0,0,0|2,0,0]=4 4239 B5R0.2 CCCCNN Amb22230363 [2,0,0,0,0,0|2,0,0]=4 4240 B5R0.2 CCCCNN Amb33055062 [2,0,0,0,0,0|2,0,0]=4 4241 B5R0.2 CCCCNO Amb24686451 [2,0,0,0,0,0|1,0,0]=3 4242 B5R0.2 CCCCNO Amb32687485 [2,0,0,0,0,0|1,0,0]=3 4243 B5R0.2 CCCCON Amb17101066 [2,0,0,0,0,0|2,0,0]=4 4244 B5R0.2 CCCCON Amb6308542 [2,0,0,0,0,0|2,0,0]=4 4245 B5R0.2 CCCCSC Amb4036342 [2,0,0,0,0,0|2,0,0]=4 4246 B5R0.2 CCCN=C=O Amb3939331 [2,0,0,0,0,0|1,0,1]=4 4247 B5R0.2 CCCNC=S Amb27754027 [2,0,0,0,0,0|1,1,0]=4 4248 B5R0.2 CCC\C=C\Br Amb17673688 [2,0,0,0,0,0|1,0,1]=4 4249 B5R0.2 CCC\C=C\Cl Amb25026521 [2,0,0,0,0,0|1,0,1]=4 4250 B5R0.2 CCC\C=C\N Amb27217273 [2,0,0,0,0,0|1,0,1]=4 4251 B5R0.2 CCC\C=N\O Amb27213413 [2,0,0,0,0,0|1,0,1]=4 4252 B5R0.2 CCNCCO Amb19372818 [2,0,0,0,0,0|1,0,1]=4 4253 B5R0.2 CCNCCO Amb3940070 [2,0,0,0,0,0|1,0,1]=4 4254 B5R0.2 CCOCCO Amb3939142 [2,0,0,0,0,0|1,0,1]=4 4255 B5R0.2 CCSCC=O Amb17940620 [2,0,0,0,0,0|1,0,0]=3 4256 B5R0.2 CCSCCO Amb1085958 [2,0,0,0,0,0|1,0,1]=4 4257 B5R0.2 CC\C=C\C=O Amb33986391 [2,0,0,0,0,0|0,0,2]=4 4258 B5R0.2 CNCCCO Amb9246656 [2,0,0,0,0,0|1,0,1]=4 4259 B5R0.2 CNCCNO Amb27976196 [2,0,0,0,0,0|2,0,0]=4 4260 B5R0.2 COCCC=O Amb10602324 [2,0,0,0,0,0|1,0,0]=3 4261 B5R0.2 COCCCO Amb8385593 [2,0,0,0,0,0|1,0,1]=4 4262 B5R0.2 COCCNO Amb25284480 [2,0,0,0,0,0|2,0,0]=4 4263 B5R0.2 COCNC=O Amb28049834 [2,0,0,0,0,0|2,0,0]=4 4264 B5R0.2 CSCCC=O Amb3939952 [2,0,0,0,0,0|1,0,0]=3 4265 B5R0.2 CSCCCO Amb3939523 [2,0,0,0,0,0|1,0,1]=4 4266 B5R0.2 CSCCNO Amb33272071 [2,0,0,0,0,0|2,0,0]=4 4267 B5R0.2 C\C=C/CCC Amb6366719 [2,0,0,0,0,0|1,0,1]=4 4268 B5R0.2 C\C=C\CC=O Amb26655030 [2,0,0,0,0,0|0,0,2]=4 4269 B5R0.2 C\C=N\CCC Amb27954749 [2,0,0,0,0,0|2,0,0]=4 4270 B5R0.2 N#CCCC=O Amb3941009 [2,0,0,0,0,0|1,0,1]=4 4271 B5R0.2 NCCCC=O Amb26851044 [2,0,0,0,0,0|1,0,0]=3 4272 B5R0.2 NCCCCO Amb3939336 [2,0,0,0,0,0|1,0,1]=4 4273 B5R0.2 NCCCN=O Amb28049442 [2,0,0,0,0,0|2,0,0]=4 4274 B5R0.2 NCCCNO Amb27882495 [2,0,0,0,0,0|2,0,0]=4 4275 B5R0.2 NCCCNO Amb32729324 [2,0,0,0,0,0|2,0,0]=4 4276 B5R0.2 NCCOC=O Amb24612320 [2,0,0,0,0,0|2,0,0]=4 4277 B5R0.2 O=CCCC=O Amb8395090 [2,0,0,0,0,0|1,0,1]=4 4278 B5R0.2 O=CCCCBr Amb18644189 [2,0,0,0,0,0|1,0,0]=3 4279 B5R0.2 O=CCCCCl Amb8395190 [2,0,0,0,0,0|1,0,0]=3 4280 B5R0.2 O=CCCCF Amb24056028 [2,0,0,0,0,0|1,0,0]=3 4281 B5R0.2 O=CCCCI Amb27249641 [2,0,0,0,0,0|1,0,0]=3 4282 B5R0.2 O=CCCCO Amb24589235 [2,0,0,0,0,0|1,0,0]=3 4283 B5R0.2 O=CCCSS Amb22524519 [2,0,0,0,0,0|2,0,0]=4 4284 B5R0.2 O=CNCCF Amb28205988 [2,0,0,0,0,0|2,0,0]=4 4285 B5R0.2 O=COCCBr Amb27816149 [2,0,0,0,0,0|2,0,0]=4 4286 B5R0.2 O=COCCO Amb26625741 [2,0,0,0,0,0|2,0,0]=4 4287 B5R0.2 OCCCCBr Amb8395353 [2,0,0,0,0,0|1,0,1]=4 4288 B5R0.2 OCCCCCl Amb1101976 [2,0,0,0,0,0|1,0,1]=4 4289 B5R0.2 OCCCCF Amb17593046 [2,0,0,0,0,0|1,0,1]=4 4290 B5R0.2 OCCCCO Amb2793029 [2,0,0,0,0,0|1,0,1]=4 4291 B5R0.2 ONCCCF Amb25931859 [2,0,0,0,0,0|2,0,0]=4 4292 B5R0.2 O\C=N\CCCl Amb24684796 [2,0,0,0,0,0|2,0,0]=4 4293 B5R0.2 [C-]#[N+]CCCC Amb2235001 [2,0,0,0,0,0|2,0,0]=4 4294 B5R0.3 C#CC(C)CC Amb22229366 [2,0,0,0,0,0|0,0,2]=4 4295 B5R0.3 C#C[C@@H](C)CC Amb28202885 [2,0,0,0,0,0|0,0,2]=4 4296 B5R0.3 C#C[C@@H](C)CO Amb28207317 [2,0,0,0,0,0|0,0,2]=4 4297 B5R0.3 C=C(C=O)CC Amb17940102 [2,0,0,0,0,0|0,0,2]=4 4298 B5R0.3 C=C(CC)CO Amb33549724 [2,0,0,0,0,0|0,0,2]=4 4299 B5R0.3 C=CC(C)C=O Amb25737956 [2,0,0,0,0,0|0,0,2]=4 4300 B5R0.3 C=CC(C)CBr Amb25310976 [2,0,0,0,0,0|1,0,1]=4 4301 B5R0.3 C=CC(C)CC Amb8513436 [2,0,0,0,0,0|0,0,1]=3 4302 B5R0.3 C=CC(C)CCl Amb25917438 [2,0,0,0,0,0|1,0,1]=4 4303 B5R0.3 C=CC(C)CO Amb22347861 [2,0,0,0,0,0|0,0,2]=4 4304 B5R0.3 C=CC(C)NC Amb33212401 [2,0,0,0,0,0|1,0,1]=4 4305 B5R0.3 C=CC(C)NC Amb33530542 [2,0,0,0,0,0|1,0,1]=4 4306 B5R0.3 C=CC(N)CC Amb26349978 [2,0,0,0,0,0|1,0,1]=4 4307 B5R0.3 C=CC(N)CC Amb31291608 [2,0,0,0,0,0|1,0,1]=4 4308 B5R0.3 C=CC(O)CC Amb3940382 [2,0,0,0,0,0|1,0,1]=4 4309 B5R0.3 C=CN(C)CC Amb27242626 [2,0,0,0,0,0|1,0,1]=4 4310 B5R0.3 C=C[C@@H](O)CC Amb27813799 [2,0,0,0,0,0|1,0,1]=4 4311 B5R0.3 C=C[C@H](C)CBr Amb27650555 [2,0,0,0,0,0|1,0,1]=4 4312 B5R0.3 C=C[C@H](C)CO Amb27470174 [2,0,0,0,0,0|0,0,2]=4 4313 B5R0.3 CC(C#N)C=O Amb9669144 [2,0,0,0,0,0|1,0,1]=4 4314 B5R0.3 CC(C#N)CO Amb9028643 [2,0,0,0,0,0|1,0,1]=4 4315 B5R0.3 CC(C=O)C=O Amb17593026 [2,0,0,0,0,0|1,0,1]=4 4316 B5R0.3 CC(C=O)CF Amb24638421 [2,0,0,0,0,0|1,0,0]=3 4317 B5R0.3 CC(C=O)O[SiH3] Amb28284225 [2,0,0,0,0,0|1,1,0]=4 4318 B5R0.3 CC(CBr)CBr Amb21962898 [2,0,0,0,0,0|2,0,0]=4 4319 B5R0.3 CC(CCl)CBr Amb22002150 [2,0,0,0,0,0|2,0,0]=4 4320 B5R0.3 CC(CCl)CCl Amb26503484 [2,0,0,0,0,0|2,0,0]=4 4321 B5R0.3 CC(CF)CBr Amb27861128 [2,0,0,0,0,0|2,0,0]=4 4322 B5R0.3 CC(CF)CCl Amb27778137 [2,0,0,0,0,0|2,0,0]=4 4323 B5R0.3 CC(CF)CI Amb28123531 [2,0,0,0,0,0|2,0,0]=4 4324 B5R0.3 CC(CI)CI Amb25943911 [2,0,0,0,0,0|2,0,0]=4 4325 B5R0.3 CC(CN)CCl Amb22886205 [2,0,0,0,0,0|2,0,0]=4 4326 B5R0.3 CC(CN)CCl Amb26025706 [2,0,0,0,0,0|2,0,0]=4 4327 B5R0.3 CC(CN)CF Amb25025690 [2,0,0,0,0,0|2,0,0]=4 4328 B5R0.3 CC(CN)CN Amb18957946 [2,0,0,0,0,0|2,0,0]=4 4329 B5R0.3 CC(CN)CN Amb32679360 [2,0,0,0,0,0|2,0,0]=4 4330 B5R0.3 CC(CN)CO Amb2699160 [2,0,0,0,0,0|1,0,0]=3 4331 B5R0.3 CC(CN)CO Amb8869013 [2,0,0,0,0,0|1,0,0]=3 4332 B5R0.3 CC(CN)CS Amb18251064 [2,0,0,0,0,0|1,1,0]=4 4333 B5R0.3 CC(CO)CBr Amb33542474 [2,0,0,0,0,0|1,0,0]=3 4334 B5R0.3 CC(CO)CCl Amb26381948 [2,0,0,0,0,0|1,0,0]=3 4335 B5R0.3 CC(CO)CF Amb27967337 [2,0,0,0,0,0|1,0,0]=3 4336 B5R0.3 CC(CO)CI Amb27834997 [2,0,0,0,0,0|1,0,0]=3 4337 B5R0.3 CC(CO)CO Amb9788669 [2,0,0,0,0,0|1,0,0]=3 4338 B5R0.3 CC(CO)CS Amb19375381 [2,0,0,0,0,0|1,0,0]=3 4339 B5R0.3 CC(CO)N=O Amb28365917 [2,0,0,0,0,0|2,0,0]=4 4340 B5R0.3 CC(CO)NN Amb20622512 [2,0,0,0,0,0|2,0,0]=4 4341 B5R0.3 CC(CO)NN Amb22231763 [2,0,0,0,0,0|2,0,0]=4 4342 B5R0.3 CC(CO)NO Amb27471121 [2,0,0,0,0,0|2,0,0]=4 4343 B5R0.3 CCC(=O)C=O Amb22228532 [2,0,0,0,0,0|1,0,1]=4 4344 B5R0.3 CCC(=O)CO Amb22227965 [2,0,0,0,0,0|1,0,1]=4 4345 B5R0.3 CCC(=O)CO Amb33529428 [2,0,0,0,0,0|1,0,1]=4 4346 B5R0.3 CCC(Br)C=O Amb18124003 [2,0,0,0,0,0|1,0,0]=3 4347 B5R0.3 CCC(Br)CBr Amb8515357 [2,0,0,0,0,0|2,0,0]=4 4348 B5R0.3 CCC(Br)CC Amb3940200 [2,0,0,0,0,0|1,0,1]=4 4349 B5R0.3 CCC(Br)CN Amb28458424 [2,0,0,0,0,0|2,0,0]=4 4350 B5R0.3 CCC(Br)CO Amb27637663 [2,0,0,0,0,0|1,0,0]=3 4351 B5R0.3 CCC(C)C#N Amb6740515 [2,0,0,0,0,0|1,0,1]=4 4352 B5R0.3 CCC(C)C=O Amb3939899 [2,0,0,0,0,0|0,0,0]=2 4353 B5R0.3 CCC(C)CBr Amb2720734 [2,0,0,0,0,0|1,0,0]=3 4354 B5R0.3 CCC(C)CCl Amb3940712 [2,0,0,0,0,0|1,0,0]=3 4355 B5R0.3 CCC(C)CI Amb22227967 [2,0,0,0,0,0|1,0,0]=3 4356 B5R0.3 CCC(C)CN Amb2725537 [2,0,0,0,0,0|1,0,0]=3 4357 B5R0.3 CCC(C)CN Amb28555320 [2,0,0,0,0,0|1,0,0]=3 4358 B5R0.3 CCC(C)CO Amb3939046 [2,0,0,0,0,0|0,0,0]=2 4359 B5R0.3 CCC(C)CS Amb8513832 [2,0,0,0,0,0|0,1,0]=3 4360 B5R0.3 CCC(C)NC Amb10609216 [2,0,0,0,0,0|1,0,1]=4 4361 B5R0.3 CCC(C)NC Amb9713591 [2,0,0,0,0,0|1,0,1]=4 4362 B5R0.3 CCC(C)NN Amb33141003 [2,0,0,0,0,0|2,0,0]=4 4363 B5R0.3 CCC(C)NN Amb6248241 [2,0,0,0,0,0|2,0,0]=4 4364 B5R0.3 CCC(C)NN Amb9701815 [2,0,0,0,0,0|2,0,0]=4 4365 B5R0.3 CCC(C)NN Amb9701816 [2,0,0,0,0,0|2,0,0]=4 4366 B5R0.3 CCC(C)OC Amb10069005 [2,0,0,0,0,0|1,0,1]=4 4367 B5R0.3 CCC(C)ON Amb26449467 [2,0,0,0,0,0|2,0,0]=4 4368 B5R0.3 CCC(C)ON Amb32712096 [2,0,0,0,0,0|2,0,0]=4 4369 B5R0.3 CCC(C)SC Amb22043308 [2,0,0,0,0,0|1,0,1]=4 4370 B5R0.3 CCC(C)[Mg]Br Amb22733176 [2,0,0,0,0,0|2,0,0]=4 4371 B5R0.3 CCC(Cl)C=O Amb18122610 [2,0,0,0,0,0|1,0,0]=3 4372 B5R0.3 CCC(Cl)CF Amb28200727 [2,0,0,0,0,0|2,0,0]=4 4373 B5R0.3 CCC(Cl)CN Amb28461612 [2,0,0,0,0,0|2,0,0]=4 4374 B5R0.3 CCC(Cl)CO Amb22011826 [2,0,0,0,0,0|1,0,0]=3 4375 B5R0.3 CCC(Cl)CS Amb28366326 [2,0,0,0,0,0|1,1,0]=4 4376 B5R0.3 CCC(F)CBr Amb24525153 [2,0,0,0,0,0|2,0,0]=4 4377 B5R0.3 CCC(F)CC Amb24372682 [2,0,0,0,0,0|1,0,1]=4 4378 B5R0.3 CCC(F)CCl Amb27874078 [2,0,0,0,0,0|2,0,0]=4 4379 B5R0.3 CCC(F)CF Amb28325139 [2,0,0,0,0,0|2,0,0]=4 4380 B5R0.3 CCC(F)CN Amb20622434 [2,0,0,0,0,0|2,0,0]=4 4381 B5R0.3 CCC(F)CN Amb28314433 [2,0,0,0,0,0|2,0,0]=4 4382 B5R0.3 CCC(F)CO Amb27454301 [2,0,0,0,0,0|1,0,0]=3 4383 B5R0.3 CCC(I)CC Amb17673918 [2,0,0,0,0,0|1,0,1]=4 4384 B5R0.3 CCC(N)CBr Amb26491532 [2,0,0,0,0,0|2,0,0]=4 4385 B5R0.3 CCC(N)CC Amb3939864 [2,0,0,0,0,0|1,0,1]=4 4386 B5R0.3 CCC(N)CCl Amb28313277 [2,0,0,0,0,0|2,0,0]=4 4387 B5R0.3 CCC(N)CF Amb26601671 [2,0,0,0,0,0|2,0,0]=4 4388 B5R0.3 CCC(N)CF Amb32652398 [2,0,0,0,0,0|2,0,0]=4 4389 B5R0.3 CCC(N)CN Amb33534078 [2,0,0,0,0,0|2,0,0]=4 4390 B5R0.3 CCC(N)CN Amb9380664 [2,0,0,0,0,0|2,0,0]=4 4391 B5R0.3 CCC(N)CO Amb9703106 [2,0,0,0,0,0|1,0,0]=3 4392 B5R0.3 CCC(N)CS Amb18122513 [2,0,0,0,0,0|1,1,0]=4 4393 B5R0.3 CCC(N)CS Amb32693424 [2,0,0,0,0,0|1,1,0]=4 4394 B5R0.3 CCC(N)[SH]=O Amb28241197 [2,0,0,0,0,0|2,0,0]=4 4395 B5R0.3 CCC(O)CBr Amb10844729 [2,0,0,0,0,0|2,0,0]=4 4396 B5R0.3 CCC(O)CC Amb4605838 [2,0,0,0,0,0|1,0,1]=4 4397 B5R0.3 CCC(O)CCl Amb33545087 [2,0,0,0,0,0|2,0,0]=4 4398 B5R0.3 CCC(O)CF Amb25810601 [2,0,0,0,0,0|2,0,0]=4 4399 B5R0.3 CCC(O)CN Amb2684362 [2,0,0,0,0,0|2,0,0]=4 4400 B5R0.3 CCC(O)CN Amb33526499 [2,0,0,0,0,0|2,0,0]=4 4401 B5R0.3 CCC(O)CO Amb8517157 [2,0,0,0,0,0|1,0,0]=3 4402 B5R0.3 CCC(O)CS Amb26546731 [2,0,0,0,0,0|1,1,0]=4 4403 B5R0.3 CCC(S)CC Amb7784704 [2,0,0,0,0,0|1,0,1]=4 4404 B5R0.3 CCC(S)CCl Amb27216986 [2,0,0,0,0,0|2,0,0]=4 4405 B5R0.3 CCC(S)CN Amb18908249 [2,0,0,0,0,0|2,0,0]=4 4406 B5R0.3 CCC(S)CN Amb33621229 [2,0,0,0,0,0|2,0,0]=4 4407 B5R0.3 CCC(S)CO Amb27211706 [2,0,0,0,0,0|1,0,0]=3 4408 B5R0.3 CCC(S)CS Amb8393144 [2,0,0,0,0,0|1,1,0]=4 4409 B5R0.3 CCN(C)C=O Amb20627285 [2,0,0,0,0,0|1,0,0]=3 4410 B5R0.3 CCN(C)CC Amb8513122 [2,0,0,0,0,0|1,0,1]=4 4411 B5R0.3 CCN(C)CN Amb27772202 [2,0,0,0,0,0|2,0,0]=4 4412 B5R0.3 CCN(C)N=O Amb22055856 [2,0,0,0,0,0|2,0,0]=4 4413 B5R0.3 CCN(N)C=O Amb24428031 [2,0,0,0,0,0|2,0,0]=4 4414 B5R0.3 CC[C@@H](Br)CO Amb27863418 [2,0,0,0,0,0|1,0,0]=3 4415 B5R0.3 CC[C@@H](C)C#N Amb27835114 [2,0,0,0,0,0|1,0,1]=4 4416 B5R0.3 CC[C@@H](C)C=O Amb27759282 [2,0,0,0,0,0|0,0,0]=2 4417 B5R0.3 CC[C@@H](C)CBr Amb22800948 [2,0,0,0,0,0|1,0,0]=3 4418 B5R0.3 CC[C@@H](C)CN Amb22800554 [2,0,0,0,0,0|1,0,0]=3 4419 B5R0.3 CC[C@@H](C)CO Amb22799907 [2,0,0,0,0,0|0,0,0]=2 4420 B5R0.3 CC[C@@H](C)NC Amb27253380 [2,0,0,0,0,0|1,0,1]=4 4421 B5R0.3 CC[C@@H](N)CF Amb33624248 [2,0,0,0,0,0|2,0,0]=4 4422 B5R0.3 CC[C@@H](N)CO Amb3940043 [2,0,0,0,0,0|1,0,0]=3 4423 B5R0.3 CC[C@@H](O)CI Amb25146583 [2,0,0,0,0,0|2,0,0]=4 4424 B5R0.3 CC[C@@H](O)CN Amb22232086 [2,0,0,0,0,0|2,0,0]=4 4425 B5R0.3 CC[C@@H](O)CO Amb20241381 [2,0,0,0,0,0|1,0,0]=3 4426 B5R0.3 CC[C@@H](O)CS Amb32679657 [2,0,0,0,0,0|1,1,0]=4 4427 B5R0.3 CC[C@H](C)C#N Amb22351647 [2,0,0,0,0,0|1,0,1]=4 4428 B5R0.3 CC[C@H](C)C=O Amb27837733 [2,0,0,0,0,0|0,0,0]=2 4429 B5R0.3 CC[C@H](C)CBr Amb22351674 [2,0,0,0,0,0|1,0,0]=3 4430 B5R0.3 CC[C@H](C)CCl Amb25728424 [2,0,0,0,0,0|1,0,0]=3 4431 B5R0.3 CC[C@H](C)CI Amb8515352 [2,0,0,0,0,0|1,0,0]=3 4432 B5R0.3 CC[C@H](C)CN Amb3939834 [2,0,0,0,0,0|1,0,0]=3 4433 B5R0.3 CC[C@H](C)CO Amb10844611 [2,0,0,0,0,0|0,0,0]=2 4434 B5R0.3 CC[C@H](C)NC Amb28049633 [2,0,0,0,0,0|1,0,1]=4 4435 B5R0.3 CC[C@H](N)C=O Amb27460588 [2,0,0,0,0,0|1,0,0]=3 4436 B5R0.3 CC[C@H](N)CO Amb3939341 [2,0,0,0,0,0|1,0,0]=3 4437 B5R0.3 CC[C@H](O)CCl Amb27206742 [2,0,0,0,0,0|2,0,0]=4 4438 B5R0.3 CC[C@H](O)CF Amb27979190 [2,0,0,0,0,0|2,0,0]=4 4439 B5R0.3 CC[C@H](O)CI Amb8388903 [2,0,0,0,0,0|2,0,0]=4 4440 B5R0.3 CC[C@H](O)CN Amb23385250 [2,0,0,0,0,0|2,0,0]=4 4441 B5R0.3 CC[C@H](O)CN Amb8630398 [2,0,0,0,0,0|2,0,0]=4 4442 B5R0.3 CC[C@H](O)CO Amb20241380 [2,0,0,0,0,0|1,0,0]=3 4443 B5R0.3 CC[C@H](O)CS Amb32679670 [2,0,0,0,0,0|1,1,0]=4 4444 B5R0.3 CC[S+](C)CC Amb27954547 [2,0,0,0,0,0|1,0,1]=4 4445 B5R0.3 CC\C(C)=C\Cl Amb27848092 [2,0,0,0,0,0|1,0,1]=4 4446 B5R0.3 CC\C(C)=N\O Amb8516521 [2,0,0,0,0,0|1,0,1]=4 4447 B5R0.3 CN(C=O)CO Amb27253133 [2,0,0,0,0,0|2,0,0]=4 4448 B5R0.3 CNC(C)CN Amb33266033 [2,0,0,0,0,0|2,0,0]=4 4449 B5R0.3 CNC(C)CN Amb33529517 [2,0,0,0,0,0|2,0,0]=4 4450 B5R0.3 CNC(C)CO Amb32666213 [2,0,0,0,0,0|1,0,0]=3 4451 B5R0.3 CNC(C)CO Amb9359998 [2,0,0,0,0,0|1,0,0]=3 4452 B5R0.3 CNC(C)CS Amb28397844 [2,0,0,0,0,0|1,1,0]=4 4453 B5R0.3 CN[C@@H](C)CN Amb28316231 [2,0,0,0,0,0|2,0,0]=4 4454 B5R0.3 CN[C@@H](C)CO Amb26642150 [2,0,0,0,0,0|1,0,0]=3 4455 B5R0.3 CN[C@@H](C)CO Amb32652325 [2,0,0,0,0,0|1,0,0]=3 4456 B5R0.3 CN[C@H](C)CO Amb26440136 [2,0,0,0,0,0|1,0,0]=3 4457 B5R0.3 CN[C@H](C)CO Amb32652448 [2,0,0,0,0,0|1,0,0]=3 4458 B5R0.3 COC(C)C=O Amb27875195 [2,0,0,0,0,0|1,0,0]=3 4459 B5R0.3 COC(C)CBr Amb24711458 [2,0,0,0,0,0|2,0,0]=4 4460 B5R0.3 COC(C)CCl Amb28315643 [2,0,0,0,0,0|2,0,0]=4 4461 B5R0.3 COC(C)CI Amb24371608 [2,0,0,0,0,0|2,0,0]=4 4462 B5R0.3 COC(C)CN Amb2140564 [2,0,0,0,0,0|2,0,0]=4 4463 B5R0.3 COC(C)CN Amb927898 [2,0,0,0,0,0|2,0,0]=4 4464 B5R0.3 COC(C)CO Amb19517078 [2,0,0,0,0,0|1,0,0]=3 4465 B5R0.3 COC(C)CS Amb25887604 [2,0,0,0,0,0|1,1,0]=4 4466 B5R0.3 CON(C)C=O Amb22234045 [2,0,0,0,0,0|2,0,0]=4 4467 B5R0.3 CON(C)CO Amb25745642 [2,0,0,0,0,0|2,0,0]=4 4468 B5R0.3 CO[C@@H](C)C=O Amb28121215 [2,0,0,0,0,0|1,0,0]=3 4469 B5R0.3 CO[C@@H](C)CN Amb22746816 [2,0,0,0,0,0|2,0,0]=4 4470 B5R0.3 CO[C@@H](C)CN Amb27613930 [2,0,0,0,0,0|2,0,0]=4 4471 B5R0.3 CO[C@@H](C)CO Amb8515772 [2,0,0,0,0,0|1,0,0]=3 4472 B5R0.3 CO[C@H](C)C=O Amb28284155 [2,0,0,0,0,0|1,0,0]=3 4473 B5R0.3 CO[C@H](C)CN Amb26959026 [2,0,0,0,0,0|2,0,0]=4 4474 B5R0.3 CO[C@H](C)CN Amb33801901 [2,0,0,0,0,0|2,0,0]=4 4475 B5R0.3 CO[C@H](C)CO Amb10603218 [2,0,0,0,0,0|1,0,0]=3 4476 B5R0.3 CSC(C)C=O Amb27454927 [2,0,0,0,0,0|1,0,0]=3 4477 B5R0.3 CSC(C)CN Amb17485956 [2,0,0,0,0,0|2,0,0]=4 4478 B5R0.3 CSC(C)CO Amb24438636 [2,0,0,0,0,0|1,0,0]=3 4479 B5R0.3 CSC(Cl)C=O Amb27233402 [2,0,0,0,0,0|2,0,0]=4 4480 B5R0.3 CSC(F)CO Amb28428675 [2,0,0,0,0,0|2,0,0]=4 4481 B5R0.3 C[C@@H](C=O)CBr Amb28200669 [2,0,0,0,0,0|1,0,0]=3 4482 B5R0.3 C[C@@H](C=O)CO Amb27455063 [2,0,0,0,0,0|1,0,0]=3 4483 B5R0.3 C[C@@H](CN)CF Amb33744949 [2,0,0,0,0,0|2,0,0]=4 4484 B5R0.3 C[C@@H](CO)CBr Amb3940168 [2,0,0,0,0,0|1,0,0]=3 4485 B5R0.3 C[C@@H](CO)CF Amb26988889 [2,0,0,0,0,0|1,0,0]=3 4486 B5R0.3 C[C@H](CCl)CBr Amb27859036 [2,0,0,0,0,0|2,0,0]=4 4487 B5R0.3 C[C@H](CN)CF Amb33730089 [2,0,0,0,0,0|2,0,0]=4 4488 B5R0.3 C[C@H](CN)CO Amb26065118 [2,0,0,0,0,0|1,0,0]=3 4489 B5R0.3 C[C@H](CO)CBr Amb3941664 [2,0,0,0,0,0|1,0,0]=3 4490 B5R0.3 C[C@H](CO)CF Amb33738443 [2,0,0,0,0,0|1,0,0]=3 4491 B5R0.3 C[C@H](CO)CI Amb28454095 [2,0,0,0,0,0|1,0,0]=3 4492 B5R0.3 C\C=C(/C)C=O Amb30526844 [2,0,0,0,0,0|0,0,2]=4 4493 B5R0.3 C\C=C(/C)CC Amb26540266 [2,0,0,0,0,0|1,0,1]=4 4494 B5R0.3 C\C=C(/C)CO Amb26998405 [2,0,0,0,0,0|0,0,2]=4 4495 B5R0.3 C\C=C(\C)C=O Amb24333046 [2,0,0,0,0,0|0,0,2]=4 4496 B5R0.3 C\C=C(\C)CC Amb25332651 [2,0,0,0,0,0|1,0,1]=4 4497 B5R0.3 C\C=C(\C)CO Amb26581579 [2,0,0,0,0,0|0,0,2]=4 4498 B5R0.3 NC(C=O)CS Amb27626007 [2,0,0,0,0,0|2,0,0]=4 4499 B5R0.3 NC(CO)CF Amb20622637 [2,0,0,0,0,0|2,0,0]=4 4500 B5R0.3 NC(CO)CF Amb25734803 [2,0,0,0,0,0|2,0,0]=4 4501 B5R0.3 NC(CO)CO Amb3939868 [2,0,0,0,0,0|2,0,0]=4 4502 B5R0.3 NC(CO)CO Amb8396812 [2,0,0,0,0,0|2,0,0]=4 4503 B5R0.3 NCC(Cl)CO Amb27856087 [2,0,0,0,0,0|2,0,0]=4 4504 B5R0.3 NCC(F)CO Amb25968755 [2,0,0,0,0,0|2,0,0]=4 4505 B5R0.3 NCC(N)CO Amb24117147 [2,0,0,0,0,0|2,0,0]=4 4506 B5R0.3 NCC(N)CO Amb33292549 [2,0,0,0,0,0|2,0,0]=4 4507 B5R0.3 NCC(O)CO Amb3940459 [2,0,0,0,0,0|2,0,0]=4 4508 B5R0.3 NCC(S)CO Amb27811256 [2,0,0,0,0,0|2,0,0]=4 4509 B5R0.3 NC[C@@H](F)CO Amb27199563 [2,0,0,0,0,0|2,0,0]=4 4510 B5R0.3 NC[C@@H](N)CO Amb19374894 [2,0,0,0,0,0|2,0,0]=4 4511 B5R0.3 NC[C@@H](N)CO Amb32990166 [2,0,0,0,0,0|2,0,0]=4 4512 B5R0.3 NC[C@@H](O)CO Amb32992847 [2,0,0,0,0,0|2,0,0]=4 4513 B5R0.3 NC[C@@H](O)CO Amb4037015 [2,0,0,0,0,0|2,0,0]=4 4514 B5R0.3 NC[C@H](F)C=O Amb27204919 [2,0,0,0,0,0|2,0,0]=4 4515 B5R0.3 NC[C@H](F)CO Amb27605560 [2,0,0,0,0,0|2,0,0]=4 4516 B5R0.3 NC[C@H](F)CO Amb35751724 [2,0,0,0,0,0|2,0,0]=4 4517 B5R0.3 NC[C@H](N)CO Amb26390006 [2,0,0,0,0,0|2,0,0]=4 4518 B5R0.3 NC[C@H](N)CO Amb32789590 [2,0,0,0,0,0|2,0,0]=4 4519 B5R0.3 NC[C@H](O)CO Amb20670545 [2,0,0,0,0,0|2,0,0]=4 4520 B5R0.3 NC[C@H](O)CO Amb8386084 [2,0,0,0,0,0|2,0,0]=4 4521 B5R0.3 N[C@@H](CO)CF Amb33376913 [2,0,0,0,0,0|2,0,0]=4 4522 B5R0.3 N[C@H](C=O)CO Amb27170308 [2,0,0,0,0,0|2,0,0]=4 4523 B5R0.3 N[C@H](CO)CF Amb33376914 [2,0,0,0,0,0|2,0,0]=4 4524 B5R0.3 N[C@H](CO)CF Amb33620306 [2,0,0,0,0,0|2,0,0]=4 4525 B5R0.3 O=CC(Br)CBr Amb17670591 [2,0,0,0,0,0|2,0,0]=4 4526 B5R0.3 O=CC(Br)CCl Amb18647566 [2,0,0,0,0,0|2,0,0]=4 4527 B5R0.3 O=CC(Cl)CO Amb17593122 [2,0,0,0,0,0|2,0,0]=4 4528 B5R0.3 O=CC(F)CF Amb28051572 [2,0,0,0,0,0|2,0,0]=4 4529 B5R0.3 O=CC(F)CO Amb28043006 [2,0,0,0,0,0|2,0,0]=4 4530 B5R0.3 O=CC(O)CO Amb3940759 [2,0,0,0,0,0|2,0,0]=4 4531 B5R0.3 O=CC(S)CO Amb4020723 [2,0,0,0,0,0|2,0,0]=4 4532 B5R0.3 O=C[C@@H](O)CF Amb28247090 [2,0,0,0,0,0|2,0,0]=4 4533 B5R0.3 O=C[C@@H](O)CO Amb16232009 [2,0,0,0,0,0|2,0,0]=4 4534 B5R0.3 O=C[C@H](O)CO Amb20242417 [2,0,0,0,0,0|2,0,0]=4 4535 B5R0.3 OCC(Br)CBr Amb10070836 [2,0,0,0,0,0|2,0,0]=4 4536 B5R0.3 OCC(Cl)CBr Amb28245340 [2,0,0,0,0,0|2,0,0]=4 4537 B5R0.3 OCC(Cl)CCl Amb8516465 [2,0,0,0,0,0|2,0,0]=4 4538 B5R0.3 OCC(Cl)CF Amb21951908 [2,0,0,0,0,0|2,0,0]=4 4539 B5R0.3 OCC(Cl)CO Amb17611073 [2,0,0,0,0,0|2,0,0]=4 4540 B5R0.3 OCC(Cl)CS Amb17593329 [2,0,0,0,0,0|2,0,0]=4 4541 B5R0.3 OCC(F)CBr Amb24061909 [2,0,0,0,0,0|2,0,0]=4 4542 B5R0.3 OCC(F)CF Amb25344040 [2,0,0,0,0,0|2,0,0]=4 4543 B5R0.3 OCC(F)CO Amb25918777 [2,0,0,0,0,0|2,0,0]=4 4544 B5R0.3 OCC(O)CBr Amb8514407 [2,0,0,0,0,0|2,0,0]=4 4545 B5R0.3 OCC(O)CCl Amb9702856 [2,0,0,0,0,0|2,0,0]=4 4546 B5R0.3 OCC(O)CF Amb21961974 [2,0,0,0,0,0|2,0,0]=4 4547 B5R0.3 OCC(O)CI Amb22055356 [2,0,0,0,0,0|2,0,0]=4 4548 B5R0.3 OCC(O)CO Amb33719574 [2,0,0,0,0,0|2,0,0]=4 4549 B5R0.3 OCC(O)CO Amb6608790 [2,0,0,0,0,0|2,0,0]=4 4550 B5R0.3 OCC(O)CS Amb8395100 [2,0,0,0,0,0|2,0,0]=4 4551 B5R0.3 OCC(S)CO Amb28321614 [2,0,0,0,0,0|2,0,0]=4 4552 B5R0.3 OCC(S)CS Amb8513135 [2,0,0,0,0,0|2,0,0]=4 4553 B5R0.3 OC[C@@H](O)CBr Amb22225154 [2,0,0,0,0,0|2,0,0]=4 4554 B5R0.3 OC[C@@H](O)CCl Amb8396605 [2,0,0,0,0,0|2,0,0]=4 4555 B5R0.3 OC[C@@H](O)CF Amb23401456 [2,0,0,0,0,0|2,0,0]=4 4556 B5R0.3 OC[C@@H](O)CS Amb25943783 [2,0,0,0,0,0|2,0,0]=4 4557 B5R0.3 OC[C@@H](S)CS Amb26887679 [2,0,0,0,0,0|2,0,0]=4 4558 B5R0.3 OC[C@H](O)CBr Amb22226653 [2,0,0,0,0,0|2,0,0]=4 4559 B5R0.3 OC[C@H](O)CCl Amb8389332 [2,0,0,0,0,0|2,0,0]=4 4560 B5R0.3 OC[C@H](O)CF Amb28045026 [2,0,0,0,0,0|2,0,0]=4 4561 B5R0.3 OC[C@H](O)CS Amb26635114 [2,0,0,0,0,0|2,0,0]=4 4562 B5R0.3 OC[C@H](S)CS Amb26487293 [2,0,0,0,0,0|2,0,0]=4 4563 B5R0.3 [C-]#[N+]C(C)CC Amb2235426 [2,0,0,0,0,0|1,0,1]=4 4564 B5R0.3 [CH2-]C(CC)CC Amb24117230 [2,0,0,0,0,0|0,0,2]=4 4565 B7R0.3 C#CCCC(C)CC Amb33318457 [1,1,0,0,0,0|1,0,1]=4 4566 B7R0.3 C#CCNC(C)CC Amb5262807 [1,1,0,0,0,0|1,0,1]=4 4567 B7R0.3 C=C(CC)CCC=O Amb27233336 [1,1,0,0,0,0|0,0,2]=4 4568 B7R0.3 C=C=CCC(O)CC Amb27766614 [1,1,0,0,0,0|2,0,0]=4 4569 B7R0.3 C=CCCC(C)CBr Amb26952992 [1,1,0,0,0,0|2,0,0]=4 4570 B7R0.3 C=CCCC(C)CC Amb26860723 [1,1,0,0,0,0|1,0,0]=3 4571 B7R0.3 C=CCCC(C)CCl Amb24481361 [1,1,0,0,0,0|2,0,0]=4 4572 B7R0.3 C=CCCC(C)CN Amb25189032 [1,1,0,0,0,0|2,0,0]=4 4573 B7R0.3 C=CCCC(C)CN Amb33611653 [1,1,0,0,0,0|2,0,0]=4 4574 B7R0.3 C=CCCC(C)CO Amb27760347 [1,1,0,0,0,0|2,0,0]=4 4575 B7R0.3 C=CCCC(C)NC Amb18641747 [1,1,0,0,0,0|2,0,0]=4 4576 B7R0.3 C=CCCC(C)SC Amb28049294 [1,1,0,0,0,0|2,0,0]=4 4577 B7R0.3 C=CCCC(Cl)CC Amb27394730 [1,1,0,0,0,0|2,0,0]=4 4578 B7R0.3 C=CCCC(O)CC Amb22052608 [1,1,0,0,0,0|2,0,0]=4 4579 B7R0.3 C=CCC[C@H](O)CC Amb27946057 [1,1,0,0,0,0|2,0,0]=4 4580 B7R0.3 C=CCNC(C)CC Amb6683957 [1,1,0,0,0,0|1,0,0]=3 4581 B7R0.3 C=CCNC(C)CO Amb27870336 [1,1,0,0,0,0|2,0,0]=4 4582 B7R0.3 C=CCOC(C)CN Amb33530554 [1,1,0,0,0,0|2,0,0]=4 4583 B7R0.3 C=CCO[C@@H](C)CN Amb27593844 [1,1,0,0,0,0|2,0,0]=4 4584 B7R0.3 C=CCO[C@@H](C)CO Amb25228448 [1,1,0,0,0,0|2,0,0]=4 4585 B7R0.3 C=CCSC(C)CC Amb3940675 [1,1,0,0,0,0|1,0,0]=3 4586 B7R0.3 C=CCSC(C)CO Amb28341848 [1,1,0,0,0,0|2,0,0]=4 4587 B7R0.3 C=CC\C=C(/C)CC Amb24694420 [1,1,0,0,0,0|1,0,1]=4 4588 B7R0.3 C=COCC(N)CC Amb27413821 [1,1,0,0,0,0|2,0,0]=4 4589 B7R0.3 C=C[C@@H](C)CCC=O Amb25025116 [1,1,0,0,0,0|0,0,2]=4 4590 B7R0.3 CC(CCl)CCCO Amb27439284 [1,1,0,0,0,0|1,0,1]=4 4591 B7R0.3 CC(CN)CCC=N Amb27640087 [1,1,0,0,0,0|2,0,0]=4 4592 B7R0.3 CC(CN)CCCO Amb17569906 [1,1,0,0,0,0|1,0,1]=4 4593 B7R0.3 CC(CN)CCCO Amb28934846 [1,1,0,0,0,0|1,0,1]=4 4594 B7R0.3 CC(CN)NCCO Amb24738477 [1,1,0,0,0,0|1,0,1]=4 4595 B7R0.3 CC(CN)OCCO Amb27883131 [1,1,0,0,0,0|1,0,1]=4 4596 B7R0.3 CC(CO)CCCO Amb25098490 [1,1,0,0,0,0|1,0,1]=4 4597 B7R0.3 CC(CO)CNC=O Amb27482480 [1,1,0,0,0,0|1,0,0]=3 4598 B7R0.3 CC(CO)NCCO Amb9360025 [1,1,0,0,0,0|1,0,1]=4 4599 B7R0.3 CC(CO)OCCO Amb27594177 [1,1,0,0,0,0|1,0,1]=4 4600 B7R0.3 CC(CO)SCCO Amb27440688 [1,1,0,0,0,0|1,0,1]=4 4601 B7R0.3 CCC(=O)NCC=O Amb17102054 [1,1,0,0,0,0|1,0,1]=4 4602 B7R0.3 CCC(C)C#CC=O Amb27828859 [1,1,0,0,0,0|0,0,1]=3 4603 B7R0.3 CCC(C)CCC#N Amb26382039 [1,1,0,0,0,0|1,0,1]=4 4604 B7R0.3 CCC(C)CCCBr Amb18184302 [1,1,0,0,0,0|1,0,1]=4 4605 B7R0.3 CCC(C)CCCCl Amb25094579 [1,1,0,0,0,0|1,0,1]=4 4606 B7R0.3 CCC(C)CCCN Amb17569898 [1,1,0,0,0,0|1,0,1]=4 4607 B7R0.3 CCC(C)CCCO Amb28070020 [1,1,0,0,0,0|0,0,1]=3 4608 B7R0.3 CCC(C)CCCS Amb33318441 [1,1,0,0,0,0|0,1,1]=4 4609 B7R0.3 CCC(C)CCNC Amb18523839 [1,1,0,0,0,0|1,0,1]=4 4610 B7R0.3 CCC(C)CCNN Amb27852367 [1,1,0,0,0,0|1,0,1]=4 4611 B7R0.3 CCC(C)CCNO Amb27442658 [1,1,0,0,0,0|0,0,1]=3 4612 B7R0.3 CCC(C)CCON Amb33226956 [1,1,0,0,0,0|0,0,1]=3 4613 B7R0.3 CCC(C)CN=C=O Amb25783333 [1,1,0,0,0,0|0,0,1]=3 4614 B7R0.3 CCC(C)CN=C=S Amb2689385 [1,1,0,0,0,0|0,1,1]=4 4615 B7R0.3 CCC(C)CN=[N+]=[N-] Amb27153772 [1,1,0,0,0,0|2,0,0]=4 4616 B7R0.3 CCC(C)CNC#N Amb27222393 [1,1,0,0,0,0|1,0,1]=4 4617 B7R0.3 CCC(C)COCCl Amb27663126 [1,1,0,0,0,0|1,0,1]=4 4618 B7R0.3 CCC(C)CSC#N Amb27397159 [1,1,0,0,0,0|1,0,1]=4 4619 B7R0.3 CCC(C)C\C=N\O Amb27843883 [1,1,0,0,0,0|0,0,0]=2 4620 B7R0.3 CCC(C)NCC#N Amb6707192 [1,1,0,0,0,0|1,0,1]=4 4621 B7R0.3 CCC(C)NCCBr Amb27641912 [1,1,0,0,0,0|1,0,1]=4 4622 B7R0.3 CCC(C)NCCCl Amb17334146 [1,1,0,0,0,0|1,0,1]=4 4623 B7R0.3 CCC(C)NCCN Amb29844468 [1,1,0,0,0,0|1,0,1]=4 4624 B7R0.3 CCC(C)NCCN Amb4016515 [1,1,0,0,0,0|1,0,1]=4 4625 B7R0.3 CCC(C)NCCO Amb6707239 [1,1,0,0,0,0|0,0,1]=3 4626 B7R0.3 CCC(C)OCCN Amb18307952 [1,1,0,0,0,0|1,0,1]=4 4627 B7R0.3 CCC(C)OCCS Amb27228171 [1,1,0,0,0,0|0,1,1]=4 4628 B7R0.3 CCC(C)OCON Amb27947124 [1,1,0,0,0,0|1,0,1]=4 4629 B7R0.3 CCC(C)SCCN Amb6680221 [1,1,0,0,0,0|1,0,1]=4 4630 B7R0.3 CCC(C)SCCS Amb27424484 [1,1,0,0,0,0|0,1,1]=4 4631 B7R0.3 CCC(C)\C=C\C=O Amb32954899 [1,1,0,0,0,0|0,0,1]=3 4632 B7R0.3 CCC(C)\C=C\CBr Amb27233120 [1,1,0,0,0,0|1,0,1]=4 4633 B7R0.3 CCC(C)\C=C\CN Amb33171992 [1,1,0,0,0,0|1,0,1]=4 4634 B7R0.3 CCC(C)\C=C\CO Amb32954901 [1,1,0,0,0,0|0,0,1]=3 4635 B7R0.3 CCC(Cl)CCC=O Amb27637733 [1,1,0,0,0,0|1,0,0]=3 4636 B7R0.3 CCC(Cl)CCOC Amb27811831 [1,1,0,0,0,0|1,0,1]=4 4637 B7R0.3 CCC(N)CCC=O Amb33036216 [1,1,0,0,0,0|1,0,0]=3 4638 B7R0.3 CCC(N)CCCO Amb18641929 [1,1,0,0,0,0|1,0,1]=4 4639 B7R0.3 CCC(N)CCOC Amb19016193 [1,1,0,0,0,0|1,0,1]=4 4640 B7R0.3 CCC(N)C\C=C\Cl Amb35606913 [1,1,0,0,0,0|2,0,0]=4 4641 B7R0.3 CCC(O)CCCO Amb17593216 [1,1,0,0,0,0|1,0,1]=4 4642 B7R0.3 CCC(O)CCOC Amb22058972 [1,1,0,0,0,0|1,0,1]=4 4643 B7R0.3 CCC(O)CNOC Amb27589244 [1,1,0,0,0,0|2,0,0]=4 4644 B7R0.3 CCC(O)\C=C\C=O Amb16233610 [1,1,0,0,0,0|1,0,1]=4 4645 B7R0.3 CCCCC(C)CC Amb10071971 [1,1,0,0,0,0|1,0,1]=4 4646 B7R0.3 CCCNC(C)CC Amb3939844 [1,1,0,0,0,0|1,0,1]=4 4647 B7R0.3 CCCOC(C)CC Amb27250865 [1,1,0,0,0,0|1,0,1]=4 4648 B7R0.3 CCCSC(C)CC Amb4017932 [1,1,0,0,0,0|1,0,1]=4 4649 B7R0.3 CCN(C)CCCO Amb8428182 [1,1,0,0,0,0|1,0,1]=4 4650 B7R0.3 CCNCC(C)CC Amb20623802 [1,1,0,0,0,0|1,0,1]=4 4651 B7R0.3 CCNCC(C)CC Amb6719189 [1,1,0,0,0,0|1,0,1]=4 4652 B7R0.3 CCSCC(C)CC Amb27395876 [1,1,0,0,0,0|1,0,1]=4 4653 B7R0.3 CC[C@@H](C)CCC=O Amb27949584 [1,1,0,0,0,0|0,0,0]=2 4654 B7R0.3 CC[C@@H](C)CCCCl Amb27166913 [1,1,0,0,0,0|1,0,1]=4 4655 B7R0.3 CC[C@@H](C)CCCO Amb22799989 [1,1,0,0,0,0|0,0,1]=3 4656 B7R0.3 CC[C@@H](O)CNOC Amb27458289 [1,1,0,0,0,0|2,0,0]=4 4657 B7R0.3 CC[C@H](C)CCCBr Amb27619630 [1,1,0,0,0,0|1,0,1]=4 4658 B7R0.3 CC[C@H](C)CCCO Amb22226203 [1,1,0,0,0,0|0,0,1]=3 4659 B7R0.3 CC[C@H](C)CN=C=O Amb27210806 [1,1,0,0,0,0|0,0,1]=3 4660 B7R0.3 CC[C@H](C)CN=[N+]=[N-] Amb27646404 [1,1,0,0,0,0|2,0,0]=4 4661 B7R0.3 CC[C@H](C)\C=C\C=O Amb27873518 [1,1,0,0,0,0|0,0,1]=3 4662 B7R0.3 CC[C@H](N)CCOC Amb28123823 [1,1,0,0,0,0|1,0,1]=4 4663 B7R0.3 CC[C@H](O)\C=C\C=O Amb28070938 [1,1,0,0,0,0|1,0,1]=4 4664 B7R0.3 CC\C(C)=C/CCO Amb25264354 [1,1,0,0,0,0|0,0,2]=4 4665 B7R0.3 CC\C(C)=C\CCO Amb28388883 [1,1,0,0,0,0|0,0,2]=4 4666 B7R0.3 CC\C(C)=N\NC=O Amb28454145 [1,1,0,0,0,0|1,0,1]=4 4667 B7R0.3 CC\C=C\C(C)CC Amb26433198 [1,1,0,0,0,0|1,0,1]=4 4668 B7R0.3 CNC(C)CCCO Amb17569902 [1,1,0,0,0,0|1,0,1]=4 4669 B7R0.3 CNC(C)CCOC Amb17569918 [1,1,0,0,0,0|1,0,1]=4 4670 B7R0.3 COC(C)CCC=O Amb25917630 [1,1,0,0,0,0|1,0,0]=3 4671 B7R0.3 COC(C)\C=C\C=O Amb27640624 [1,1,0,0,0,0|1,0,1]=4 4672 B7R0.3 COCCC(C)CBr Amb27210700 [1,1,0,0,0,0|1,0,1]=4 4673 B7R0.3 COCCC(C)CCl Amb26887699 [1,1,0,0,0,0|1,0,1]=4 4674 B7R0.3 COCCC(C)CN Amb17569915 [1,1,0,0,0,0|1,0,1]=4 4675 B7R0.3 COCCC(C)SC Amb27838053 [1,1,0,0,0,0|1,0,1]=4 4676 B7R0.3 CONCC(C)CN Amb28127725 [1,1,0,0,0,0|2,0,0]=4 4677 B7R0.3 CO[C@@H](C)CNC=O Amb35605354 [1,1,0,0,0,0|1,0,0]=3 4678 B7R0.3 CO[C@H](C)CNC=O Amb35605356 [1,1,0,0,0,0|1,0,0]=3 4679 B7R0.3 CO\C(C)=C\CC=O Amb28283269 [1,1,0,0,0,0|1,0,1]=4 4680 B7R0.3 CSC(C)CN=C=O Amb28422389 [1,1,0,0,0,0|1,0,1]=4 4681 B7R0.3 C[C@@H](CN)CCCO Amb27947738 [1,1,0,0,0,0|1,0,1]=4 4682 B7R0.3 C[C@@H](CO)CCCO Amb27664197 [1,1,0,0,0,0|1,0,1]=4 4683 B7R0.3 C[C@@H](CO)NCCO Amb27881216 [1,1,0,0,0,0|1,0,1]=4 4684 B7R0.3 C[C@@H](CO)OCCO Amb28461084 [1,1,0,0,0,0|1,0,1]=4 4685 B7R0.3 C[C@H](CN)NCCO Amb28049033 [1,1,0,0,0,0|1,0,1]=4 4686 B7R0.3 C[C@H](CO)NCCO Amb27173258 [1,1,0,0,0,0|1,0,1]=4 4687 B7R0.3 C\C=C/CC(Cl)CC Amb27760501 [1,1,0,0,0,0|2,0,0]=4 4688 B7R0.3 C\C=C\CN(C)CC Amb27956345 [1,1,0,0,0,0|2,0,0]=4 4689 B7R0.3 C\C=C\C[C@@H](C)CO Amb27650152 [1,1,0,0,0,0|2,0,0]=4 4690 B7R0.3 NCC(O)CCC=O Amb27855481 [1,1,0,0,0,0|2,0,0]=4 4691 B7R0.3 [C-]#[N+]CCC(C)CC Amb33373874 [1,1,0,0,0,0|1,0,1]=4 4692 B7R0.5 C#CCC(C)C(C)Br Amb27946658 [1,1,0,0,0,0|1,0,1]=4 4693 B7R0.5 C#CCC(C)C(C)Cl Amb27812970 [1,1,0,0,0,0|1,0,1]=4 4694 B7R0.5 C#CCC(C)C(C)O Amb25821661 [1,1,0,0,0,0|1,0,1]=4 4695 B7R0.5 C=C(C)C(C)CCO Amb27766618 [1,1,0,0,0,0|0,0,2]=4 4696 B7R0.5 C=CCC(C)C(C)=O Amb19373098 [1,1,0,0,0,0|1,0,1]=4 4697 B7R0.5 C=CCC(C)C(C)C Amb22229588 [1,1,0,0,0,0|1,0,0]=3 4698 B7R0.5 C=CCC(C)C(C)O Amb26435224 [1,1,0,0,0,0|1,0,0]=3 4699 B7R0.5 C=CCC(O)C(C)C Amb22052662 [1,1,0,0,0,0|2,0,0]=4 4700 B7R0.5 C=CCC(O)[C@H](C)N Amb35738412 [1,1,0,0,0,0|2,0,0]=4 4701 B7R0.5 C=CC[C@@H](C)[C@@H](C)N Amb27471731 [1,1,0,0,0,0|1,0,0]=3 4702 B7R0.5 C=CC[C@@H](C)[C@H](C)N Amb28383991 [1,1,0,0,0,0|1,0,0]=3 4703 B7R0.5 C=CC[C@@H](N)C(C)C Amb27815025 [1,1,0,0,0,0|2,0,0]=4 4704 B7R0.5 C=CC[C@@H](O)[C@H](C)N Amb27838342 [1,1,0,0,0,0|2,0,0]=4 4705 B7R0.5 C=CC[C@H](C)C(C)=O Amb26641913 [1,1,0,0,0,0|1,0,1]=4 4706 B7R0.5 C=CC[C@H](C)C(C)O Amb28350029 [1,1,0,0,0,0|1,0,0]=3 4707 B7R0.5 C=CC[C@H](C)[C@@H](C)N Amb27807483 [1,1,0,0,0,0|1,0,0]=3 4708 B7R0.5 C=CC[C@H](O)[C@H](C)O Amb28366034 [1,1,0,0,0,0|2,0,0]=4 4709 B7R0.5 C=COC(C)C(C)O Amb27405290 [1,1,0,0,0,0|2,0,0]=4 4710 B7R0.5 C=CS[C@@H](C)[C@@H](C)O Amb28079099 [1,1,0,0,0,0|2,0,0]=4 4711 B7R0.5 CC(=O)C(C)CCO Amb13881368 [1,1,0,0,0,0|0,0,2]=4 4712 B7R0.5 CC(=O)C(C)NC=O Amb23442778 [1,1,0,0,0,0|1,0,1]=4 4713 B7R0.5 CC(=O)C(C)OC=O Amb26492625 [1,1,0,0,0,0|1,0,1]=4 4714 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,1,0,0,0,0|1,0,1]=4 4715 B7R0.5 CC(=O)N(C)CC=O Amb17080668 [1,1,0,0,0,0|1,0,1]=4 4716 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [1,1,0,0,0,0|1,0,1]=4 4717 B7R0.5 CC(Br)C(C)CC#N Amb28400232 [1,1,0,0,0,0|1,0,1]=4 4718 B7R0.5 CC(Br)C(C)N=C=O Amb27477401 [1,1,0,0,0,0|1,0,1]=4 4719 B7R0.5 CC(C)=C(C)CC=O Amb27625010 [1,1,0,0,0,0|0,0,2]=4 4720 B7R0.5 CC(C)C(=O)CC=O Amb25771325 [1,1,0,0,0,0|1,0,1]=4 4721 B7R0.5 CC(C)C(C)CC=O Amb18641816 [1,1,0,0,0,0|0,0,0]=2 4722 B7R0.5 CC(C)C(C)CCBr Amb24425543 [1,1,0,0,0,0|1,0,1]=4 4723 B7R0.5 CC(C)C(C)CCCl Amb25315867 [1,1,0,0,0,0|1,0,1]=4 4724 B7R0.5 CC(C)C(C)CCN Amb18293552 [1,1,0,0,0,0|1,0,1]=4 4725 B7R0.5 CC(C)C(C)CCO Amb26515738 [1,1,0,0,0,0|0,0,1]=3 4726 B7R0.5 CC(C)C(C)CNN Amb27234443 [1,1,0,0,0,0|2,0,0]=4 4727 B7R0.5 CC(C)C(C)CON Amb33360272 [1,1,0,0,0,0|2,0,0]=4 4728 B7R0.5 CC(C)C(C)N=C=O Amb25235166 [1,1,0,0,0,0|1,0,1]=4 4729 B7R0.5 CC(C)C(C)\C=N\O Amb27184671 [1,1,0,0,0,0|1,0,1]=4 4730 B7R0.5 CC(C)C(N)CC=O Amb27628058 [1,1,0,0,0,0|1,0,0]=3 4731 B7R0.5 CC(C)C(N)CCO Amb1993950 [1,1,0,0,0,0|1,0,1]=4 4732 B7R0.5 CC(C)C(O)CCO Amb26658678 [1,1,0,0,0,0|1,0,1]=4 4733 B7R0.5 CC(C)C(O)CNO Amb27430090 [1,1,0,0,0,0|2,0,0]=4 4734 B7R0.5 CC(C)N(C)CCO Amb3941039 [1,1,0,0,0,0|1,0,1]=4 4735 B7R0.5 CC(C)[C@@H](C)CC=O Amb28388606 [1,1,0,0,0,0|0,0,0]=2 4736 B7R0.5 CC(C)[C@@H](C)N=C=O Amb22045305 [1,1,0,0,0,0|1,0,1]=4 4737 B7R0.5 CC(C)[C@@H](N)CCO Amb26864199 [1,1,0,0,0,0|1,0,1]=4 4738 B7R0.5 CC(C)[C@H](C)CCBr Amb27983673 [1,1,0,0,0,0|1,0,1]=4 4739 B7R0.5 CC(C)[C@H](C)N=C=O Amb22053850 [1,1,0,0,0,0|1,0,1]=4 4740 B7R0.5 CC(C)[C@H](N)CCO Amb28284336 [1,1,0,0,0,0|1,0,1]=4 4741 B7R0.5 CC(C)[C@H](N)NC=O Amb28187220 [1,1,0,0,0,0|2,0,0]=4 4742 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [1,1,0,0,0,0|1,0,1]=4 4743 B7R0.5 CC(CC=O)C(Cl)Cl Amb28320750 [1,1,0,0,0,0|1,0,0]=3 4744 B7R0.5 CC(CC=O)N(C)C Amb18203067 [1,1,0,0,0,0|1,0,0]=3 4745 B7R0.5 CC(CCO)C(F)F Amb33338833 [1,1,0,0,0,0|1,0,1]=4 4746 B7R0.5 CC(CCO)N(C)C Amb8428180 [1,1,0,0,0,0|1,0,1]=4 4747 B7R0.5 CC(Cl)C(C)OC=O Amb28245214 [1,1,0,0,0,0|1,0,0]=3 4748 B7R0.5 CC(F)C(C)CCN Amb28435428 [1,1,0,0,0,0|1,0,1]=4 4749 B7R0.5 CC(NC=O)C(F)F Amb28145320 [1,1,0,0,0,0|2,0,0]=4 4750 B7R0.5 CC(O)C(C)CCBr Amb27878805 [1,1,0,0,0,0|1,0,1]=4 4751 B7R0.5 CC(O)C(C)CCF Amb28120971 [1,1,0,0,0,0|1,0,1]=4 4752 B7R0.5 CC(O)C(C)CCN Amb18202662 [1,1,0,0,0,0|1,0,1]=4 4753 B7R0.5 CCCC(C)C(C)C Amb4019539 [1,1,0,0,0,0|1,0,1]=4 4754 B7R0.5 CCCC(C)C(C)N Amb18289572 [1,1,0,0,0,0|1,0,1]=4 4755 B7R0.5 CCCC(C)C(C)N Amb29083224 [1,1,0,0,0,0|1,0,1]=4 4756 B7R0.5 CCCC(C)C(C)O Amb4036337 [1,1,0,0,0,0|1,0,1]=4 4757 B7R0.5 CCCC(C)[C@@H](C)N Amb33322349 [1,1,0,0,0,0|1,0,1]=4 4758 B7R0.5 CCCC(C)[C@@H](C)O Amb33322347 [1,1,0,0,0,0|1,0,1]=4 4759 B7R0.5 CCCC(C)[C@H](C)N Amb33322348 [1,1,0,0,0,0|1,0,1]=4 4760 B7R0.5 CCCC(C)[C@H](C)O Amb33322346 [1,1,0,0,0,0|1,0,1]=4 4761 B7R0.5 CCC[C@@H](C)C(C)O Amb28187641 [1,1,0,0,0,0|1,0,1]=4 4762 B7R0.5 CCC[C@@H](C)[C@@H](C)O Amb27181050 [1,1,0,0,0,0|1,0,1]=4 4763 B7R0.5 CCC[C@H](C)[C@@H](C)N Amb27839498 [1,1,0,0,0,0|1,0,1]=4 4764 B7R0.5 CCC[C@H](C)[C@H](C)O Amb28065150 [1,1,0,0,0,0|1,0,1]=4 4765 B7R0.5 COCC(C)C(C)N Amb26503429 [1,1,0,0,0,0|2,0,0]=4 4766 B7R0.5 COCC(C)C(C)O Amb24746662 [1,1,0,0,0,0|2,0,0]=4 4767 B7R0.5 C[C@@H](CCO)N(C)C Amb27488981 [1,1,0,0,0,0|1,0,1]=4 4768 B7R0.5 C[C@@H](O)[C@@H](O)CC=O Amb27643485 [1,1,0,0,0,0|1,0,0]=3 4769 B7R0.5 C[C@@H](O)[C@H](O)CC=O Amb27798254 [1,1,0,0,0,0|1,0,0]=3 4770 B7R0.5 C\C(=C/C=O)C(C)C Amb18641697 [1,1,0,0,0,0|0,0,2]=4 4771 B7R0.5 C\C(=C\C=O)C(C)C Amb27872238 [1,1,0,0,0,0|0,0,2]=4 4772 B7R0.5 C\C=C\C(C)C(C)O Amb32944797 [1,1,0,0,0,0|1,0,1]=4 4773 B7R0.7 C#CCC(C)CCC Amb33321138 [1,1,0,0,0,0|1,0,1]=4 4774 B7R0.7 C#CCC(C)NCC Amb18987206 [1,1,0,0,0,0|1,0,1]=4 4775 B7R0.7 C#CCC(C)OCC Amb33425044 [1,1,0,0,0,0|1,0,1]=4 4776 B7R0.7 C=C=C[C@H](C)CC=O Amb27947431 [1,1,0,0,0,0|0,0,2]=4 4777 B7R0.7 C=CCC(C)CCBr Amb25211241 [1,1,0,0,0,0|1,0,0]=3 4778 B7R0.7 C=CCC(C)CCC Amb26958532 [1,1,0,0,0,0|1,0,0]=3 4779 B7R0.7 C=CCC(C)CCCl Amb32688175 [1,1,0,0,0,0|1,0,0]=3 4780 B7R0.7 C=CCC(C)CCN Amb27596627 [1,1,0,0,0,0|1,0,0]=3 4781 B7R0.7 C=CCC(C)CCO Amb27603507 [1,1,0,0,0,0|1,0,0]=3 4782 B7R0.7 C=CCC(C)\C=C\C Amb27201351 [1,1,0,0,0,0|1,0,1]=4 4783 B7R0.7 C=CCC(N)COC Amb19018008 [1,1,0,0,0,0|2,0,0]=4 4784 B7R0.7 C=CCC(O)CCBr Amb27669769 [1,1,0,0,0,0|2,0,0]=4 4785 B7R0.7 C=CCC(O)CCC Amb4019981 [1,1,0,0,0,0|2,0,0]=4 4786 B7R0.7 C=CCC(O)CCN Amb27839044 [1,1,0,0,0,0|2,0,0]=4 4787 B7R0.7 C=CCC(O)CSC Amb27463975 [1,1,0,0,0,0|2,0,0]=4 4788 B7R0.7 C=CCN(C)CCCl Amb17334140 [1,1,0,0,0,0|2,0,0]=4 4789 B7R0.7 C=CCN(C)CCCl Amb32666705 [1,1,0,0,0,0|2,0,0]=4 4790 B7R0.7 C=CCN(C)CCN Amb17334062 [1,1,0,0,0,0|2,0,0]=4 4791 B7R0.7 C=CCN(C)CCO Amb10570005 [1,1,0,0,0,0|2,0,0]=4 4792 B7R0.7 C=CC[C@@H](N)CCO Amb27398150 [1,1,0,0,0,0|2,0,0]=4 4793 B7R0.7 C=CC[C@@H](N)COC Amb28128126 [1,1,0,0,0,0|2,0,0]=4 4794 B7R0.7 C=CC[C@@H](O)CCC Amb28315693 [1,1,0,0,0,0|2,0,0]=4 4795 B7R0.7 C=CC[C@H](N)COC Amb27851131 [1,1,0,0,0,0|2,0,0]=4 4796 B7R0.7 C=CC[C@H](O)CCC Amb27221895 [1,1,0,0,0,0|2,0,0]=4 4797 B7R0.7 C=CC\C(C)=C\CC Amb26515782 [1,1,0,0,0,0|1,0,1]=4 4798 B7R0.7 C=COC(C)CNC Amb27441621 [1,1,0,0,0,0|2,0,0]=4 4799 B7R0.7 CC#CC(C)CCO Amb28455683 [1,1,0,0,0,0|0,0,2]=4 4800 B7R0.7 CC(CC=O)CC=O Amb17593183 [1,1,0,0,0,0|0,0,1]=3 4801 B7R0.7 CC(CCBr)CCBr Amb8515114 [1,1,0,0,0,0|1,0,1]=4 4802 B7R0.7 CC(CCCl)CCCl Amb26942744 [1,1,0,0,0,0|1,0,1]=4 4803 B7R0.7 CC(CCF)CON Amb33196421 [1,1,0,0,0,0|2,0,0]=4 4804 B7R0.7 CC(CCF)N=C=O Amb33196455 [1,1,0,0,0,0|1,0,1]=4 4805 B7R0.7 CC(CCI)CCI Amb24483140 [1,1,0,0,0,0|1,0,1]=4 4806 B7R0.7 CC(CCN)CCBr Amb28122972 [1,1,0,0,0,0|1,0,1]=4 4807 B7R0.7 CC(CCN)CCF Amb33196462 [1,1,0,0,0,0|1,0,1]=4 4808 B7R0.7 CC(CCN)CCN Amb25138224 [1,1,0,0,0,0|1,0,1]=4 4809 B7R0.7 CC(CCN)CCO Amb17569905 [1,1,0,0,0,0|0,0,1]=3 4810 B7R0.7 CC(CCO)CCI Amb25262818 [1,1,0,0,0,0|0,0,1]=3 4811 B7R0.7 CC(CCO)CCO Amb17939001 [1,1,0,0,0,0|0,0,1]=3 4812 B7R0.7 CCCC(Br)\C=C\O Amb28458444 [1,1,0,0,0,0|1,0,1]=4 4813 B7R0.7 CCCC(C)CC#N Amb26515743 [1,1,0,0,0,0|1,0,1]=4 4814 B7R0.7 CCCC(C)CC=S Amb22168291 [1,1,0,0,0,0|0,1,0]=3 4815 B7R0.7 CCCC(C)CCBr Amb24526467 [1,1,0,0,0,0|1,0,1]=4 4816 B7R0.7 CCCC(C)CCC Amb22229829 [1,1,0,0,0,0|1,0,1]=4 4817 B7R0.7 CCCC(C)CCCl Amb24333870 [1,1,0,0,0,0|1,0,1]=4 4818 B7R0.7 CCCC(C)CCN Amb31145475 [1,1,0,0,0,0|1,0,1]=4 4819 B7R0.7 CCCC(C)CCN Amb839082 [1,1,0,0,0,0|1,0,1]=4 4820 B7R0.7 CCCC(C)CCO Amb22733616 [1,1,0,0,0,0|0,0,1]=3 4821 B7R0.7 CCCC(C)CCS Amb33320804 [1,1,0,0,0,0|0,1,1]=4 4822 B7R0.7 CCCC(C)CNC Amb33330634 [1,1,0,0,0,0|1,0,1]=4 4823 B7R0.7 CCCC(C)CNC Amb6719001 [1,1,0,0,0,0|1,0,1]=4 4824 B7R0.7 CCCC(C)CNN Amb6744626 [1,1,0,0,0,0|2,0,0]=4 4825 B7R0.7 CCCC(C)CNO Amb26632405 [1,1,0,0,0,0|1,0,0]=3 4826 B7R0.7 CCCC(C)CON Amb27630051 [1,1,0,0,0,0|2,0,0]=4 4827 B7R0.7 CCCC(C)N=C=O Amb21961819 [1,1,0,0,0,0|1,0,1]=4 4828 B7R0.7 CCCC(C)NC=O Amb27236942 [1,1,0,0,0,0|1,0,0]=3 4829 B7R0.7 CCCC(C)NCC Amb22586730 [1,1,0,0,0,0|1,0,1]=4 4830 B7R0.7 CCCC(C)NCC Amb9726218 [1,1,0,0,0,0|1,0,1]=4 4831 B7R0.7 CCCC(C)OCC Amb22733741 [1,1,0,0,0,0|1,0,1]=4 4832 B7R0.7 CCCC(C)\C=N\O Amb28247268 [1,1,0,0,0,0|1,0,1]=4 4833 B7R0.7 CCCC(F)CCO Amb27662632 [1,1,0,0,0,0|1,0,1]=4 4834 B7R0.7 CCCC(N)CCO Amb22050841 [1,1,0,0,0,0|1,0,1]=4 4835 B7R0.7 CCCC(O)CCO Amb24181777 [1,1,0,0,0,0|1,0,1]=4 4836 B7R0.7 CCCC(S)CC=O Amb24481552 [1,1,0,0,0,0|1,0,0]=3 4837 B7R0.7 CCCN(C)CCO Amb3204757 [1,1,0,0,0,0|1,0,1]=4 4838 B7R0.7 CCC[C@@H](C)CC=O Amb27393066 [1,1,0,0,0,0|0,0,0]=2 4839 B7R0.7 CCC[C@@H](C)CCBr Amb28363763 [1,1,0,0,0,0|1,0,1]=4 4840 B7R0.7 CCC[C@@H](C)N=C=O Amb28128423 [1,1,0,0,0,0|1,0,1]=4 4841 B7R0.7 CCC[C@@H](N)CCO Amb22746035 [1,1,0,0,0,0|1,0,1]=4 4842 B7R0.7 CCC[C@@H](O)CCO Amb24422125 [1,1,0,0,0,0|1,0,1]=4 4843 B7R0.7 CCC[C@H](N)CCO Amb25889377 [1,1,0,0,0,0|1,0,1]=4 4844 B7R0.7 CCC[C@H](N)CCO Amb32409602 [1,1,0,0,0,0|1,0,1]=4 4845 B7R0.7 CCC\C(C)=C\C=O Amb27237056 [1,1,0,0,0,0|0,0,2]=4 4846 B7R0.7 CCNC(C)CC#N Amb17334053 [1,1,0,0,0,0|1,0,1]=4 4847 B7R0.7 CCNC(C)CCO Amb8428187 [1,1,0,0,0,0|0,0,1]=3 4848 B7R0.7 CCNC(C)COC Amb6689696 [1,1,0,0,0,0|2,0,0]=4 4849 B7R0.7 CCNC(C)COC Amb7969718 [1,1,0,0,0,0|2,0,0]=4 4850 B7R0.7 CCNC(C)CSC Amb18313762 [1,1,0,0,0,0|2,0,0]=4 4851 B7R0.7 CCOC(=O)CC=O Amb8394868 [1,1,0,0,0,0|1,0,1]=4 4852 B7R0.7 CCOC(C)CC#N Amb33425703 [1,1,0,0,0,0|1,0,1]=4 4853 B7R0.7 CCOC(C)CC=O Amb25702447 [1,1,0,0,0,0|0,0,0]=2 4854 B7R0.7 CCOC(C)CCBr Amb28123922 [1,1,0,0,0,0|1,0,1]=4 4855 B7R0.7 CCOC(C)CCN Amb19022809 [1,1,0,0,0,0|1,0,1]=4 4856 B7R0.7 CCOC(C)CCO Amb4017406 [1,1,0,0,0,0|0,0,1]=3 4857 B7R0.7 CCOC(C)CCS Amb33424966 [1,1,0,0,0,0|0,1,1]=4 4858 B7R0.7 CCOC(C)CNC Amb10608191 [1,1,0,0,0,0|2,0,0]=4 4859 B7R0.7 CCOC(C)CNN Amb24436336 [1,1,0,0,0,0|2,0,0]=4 4860 B7R0.7 CCOC(C)CNO Amb33425739 [1,1,0,0,0,0|1,0,0]=3 4861 B7R0.7 CCOC(C)CON Amb33425326 [1,1,0,0,0,0|2,0,0]=4 4862 B7R0.7 CCOC(C)N=C=O Amb27843269 [1,1,0,0,0,0|1,0,1]=4 4863 B7R0.7 CCOC(C)NC=O Amb27391666 [1,1,0,0,0,0|1,0,0]=3 4864 B7R0.7 CCSC(C)CC=O Amb22232285 [1,1,0,0,0,0|0,0,0]=2 4865 B7R0.7 CCSC(C)CCCl Amb27880855 [1,1,0,0,0,0|1,0,1]=4 4866 B7R0.7 CCSC(C)CCO Amb26655908 [1,1,0,0,0,0|0,0,1]=3 4867 B7R0.7 CCSC(C)\C=C\Cl Amb27656974 [1,1,0,0,0,0|1,0,1]=4 4868 B7R0.7 CCS\C(C)=C/C=O Amb18642814 [1,1,0,0,0,0|0,0,2]=4 4869 B7R0.7 CCS\C(C)=C\C=O Amb27482152 [1,1,0,0,0,0|0,0,2]=4 4870 B7R0.7 CC\C=C(/C)CCO Amb27640229 [1,1,0,0,0,0|0,0,2]=4 4871 B7R0.7 CC\C=C(\C)CCO Amb27441640 [1,1,0,0,0,0|0,0,2]=4 4872 B7R0.7 CN(CCN)CCO Amb33536070 [1,1,0,0,0,0|1,0,1]=4 4873 B7R0.7 CN(CCO)CCBr Amb18179238 [1,1,0,0,0,0|1,0,1]=4 4874 B7R0.7 CN(CCO)CCF Amb25889300 [1,1,0,0,0,0|1,0,1]=4 4875 B7R0.7 CN(CCO)CCI Amb27260958 [1,1,0,0,0,0|1,0,1]=4 4876 B7R0.7 CN(CCO)CCO Amb3940336 [1,1,0,0,0,0|1,0,1]=4 4877 B7R0.7 CN(CCO)CCS Amb27424305 [1,1,0,0,0,0|1,0,1]=4 4878 B7R0.7 CNCC(C)CCN Amb17334067 [1,1,0,0,0,0|1,0,1]=4 4879 B7R0.7 CNCC(C)CCO Amb17569901 [1,1,0,0,0,0|0,0,1]=3 4880 B7R0.7 CNCC(C)CNC Amb4017664 [1,1,0,0,0,0|2,0,0]=4 4881 B7R0.7 CNCC(C)COC Amb17569917 [1,1,0,0,0,0|2,0,0]=4 4882 B7R0.7 CNCC(O)CCO Amb27593318 [1,1,0,0,0,0|1,0,1]=4 4883 B7R0.7 COCC(C)CC#N Amb32664554 [1,1,0,0,0,0|1,0,1]=4 4884 B7R0.7 COCC(C)CCBr Amb28187454 [1,1,0,0,0,0|1,0,1]=4 4885 B7R0.7 COCC(C)CCCl Amb26515746 [1,1,0,0,0,0|1,0,1]=4 4886 B7R0.7 COCC(C)CCN Amb17569914 [1,1,0,0,0,0|1,0,1]=4 4887 B7R0.7 COCC(C)CCO Amb24604394 [1,1,0,0,0,0|0,0,1]=3 4888 B7R0.7 COCC(C)CNN Amb27859699 [1,1,0,0,0,0|2,0,0]=4 4889 B7R0.7 COCC(C)CNO Amb27250879 [1,1,0,0,0,0|1,0,0]=3 4890 B7R0.7 COCC(C)CON Amb33225181 [1,1,0,0,0,0|2,0,0]=4 4891 B7R0.7 COCC(C)N=C=O Amb23598696 [1,1,0,0,0,0|1,0,1]=4 4892 B7R0.7 COCC(C)NC=O Amb27838341 [1,1,0,0,0,0|1,0,0]=3 4893 B7R0.7 COCC(Cl)CCO Amb28454426 [1,1,0,0,0,0|1,0,1]=4 4894 B7R0.7 COCC(N)CCO Amb19338150 [1,1,0,0,0,0|1,0,1]=4 4895 B7R0.7 COC[C@@H](N)CCO Amb27964057 [1,1,0,0,0,0|1,0,1]=4 4896 B7R0.7 COC\C(C)=C\C=O Amb28287378 [1,1,0,0,0,0|0,0,2]=4 4897 B7R0.7 CO\C=C(/C)CC=O Amb27643505 [1,1,0,0,0,0|0,0,2]=4 4898 B7R0.7 CP(CCO)CCO Amb26926465 [1,1,0,0,0,0|1,0,1]=4 4899 B7R0.7 CSCC(C)CCN Amb33272059 [1,1,0,0,0,0|1,0,1]=4 4900 B7R0.7 CSCC(C)CNN Amb27968775 [1,1,0,0,0,0|2,0,0]=4 4901 B7R0.7 CSCC(C)CON Amb33271724 [1,1,0,0,0,0|2,0,0]=4 4902 B7R0.7 CSCC(C)N=C=O Amb24374153 [1,1,0,0,0,0|1,0,1]=4 4903 B7R0.7 CSCC(N)CCO Amb19515713 [1,1,0,0,0,0|1,0,1]=4 4904 B7R0.7 CSSC(C)CCO Amb27593225 [1,1,0,0,0,0|1,0,1]=4 4905 B7R0.7 C\C=C/[C@@H](C)CCBr Amb27433882 [1,1,0,0,0,0|1,0,1]=4 4906 B7R0.7 C\C=C\C(C)CC=O Amb25366468 [1,1,0,0,0,0|0,0,1]=3 4907 B7R0.7 C\C=C\C(C)CCC Amb26633016 [1,1,0,0,0,0|1,0,1]=4 4908 B7R0.7 C\C=C\C(C)CCO Amb27437234 [1,1,0,0,0,0|0,0,2]=4 4909 B7R0.7 C\C=C\[C@@H](C)CC=O Amb27791915 [1,1,0,0,0,0|0,0,1]=3 4910 B7R0.7 C\C=C\[C@@H](C)CCO Amb27651868 [1,1,0,0,0,0|0,0,2]=4 4911 B7R0.7 NC(CCO)CCF Amb32946596 [1,1,0,0,0,0|1,0,1]=4 4912 B7R0.7 NC(CCO)CCO Amb25324048 [1,1,0,0,0,0|1,0,1]=4 4913 B7R0.7 NCCC(O)CCO Amb27876317 [1,1,0,0,0,0|1,0,1]=4 4914 B7R0.7 NCC[C@@H](O)CCO Amb28187429 [1,1,0,0,0,0|1,0,1]=4 4915 B7R0.7 O=CCC(=O)CCO Amb28255739 [1,1,0,0,0,0|1,0,1]=4 4916 B7R0.7 OCCC(O)CCO Amb17593226 [1,1,0,0,0,0|1,0,1]=4 4917 B7R0.7 [C-]#[N+]CC(C)CCC Amb33322331 [1,1,0,0,0,0|2,0,0]=4 4918 B7R0.7 [C-]#[N+]CC(C)OCC Amb33425393 [1,1,0,0,0,0|2,0,0]=4 4919 B7R0.10 C#CC(C)C(C)CC Amb33169154 [1,1,0,0,0,0|1,0,1]=4 4920 B7R0.10 C#CC(N)C(C)CC Amb26066882 [1,1,0,0,0,0|1,0,1]=4 4921 B7R0.10 C#CC(O)C(C)CC Amb27453581 [1,1,0,0,0,0|1,0,1]=4 4922 B7R0.10 C#C[C@@H](N)[C@@H](C)CC Amb28042987 [1,1,0,0,0,0|1,0,1]=4 4923 B7R0.10 C#C[C@@H](O)C(C)CC Amb28049314 [1,1,0,0,0,0|1,0,1]=4 4924 B7R0.10 C#C[C@H](O)C(C)CC Amb27807237 [1,1,0,0,0,0|1,0,1]=4 4925 B7R0.10 C=C(C=O)[C@@H](C)CC Amb27390187 [1,1,0,0,0,0|0,0,1]=3 4926 B7R0.10 C=CC(=O)C(C)CC Amb26350444 [1,1,0,0,0,0|1,0,1]=4 4927 B7R0.10 C=CC(C)C(C)CC Amb22229051 [1,1,0,0,0,0|1,0,0]=3 4928 B7R0.10 C=CC(C)C(N)CC Amb30029363 [1,1,0,0,0,0|2,0,0]=4 4929 B7R0.10 C=CC(Cl)C(C)SC Amb27231801 [1,1,0,0,0,0|2,0,0]=4 4930 B7R0.10 C=CC(Cl)C(O)CC Amb27482691 [1,1,0,0,0,0|2,0,0]=4 4931 B7R0.10 C=CC(N)C(C)CC Amb28132556 [1,1,0,0,0,0|1,0,0]=3 4932 B7R0.10 C=CC(O)C(C)CC Amb25139404 [1,1,0,0,0,0|1,0,0]=3 4933 B7R0.10 C=CC(O)[C@@H](N)CC Amb35601262 [1,1,0,0,0,0|2,0,0]=4 4934 B7R0.10 C=CC(O)[C@H](C)NC Amb35662346 [1,1,0,0,0,0|2,0,0]=4 4935 B7R0.10 C=CC(O)[C@H](N)CC Amb35659376 [1,1,0,0,0,0|2,0,0]=4 4936 B7R0.10 C=C[C@@H](C)[C@H](C)C=O Amb27947475 [1,1,0,0,0,0|0,0,2]=4 4937 B7R0.10 C=C[C@@H](C)[C@H](O)CC Amb28280923 [1,1,0,0,0,0|2,0,0]=4 4938 B7R0.10 C=C[C@@H](O)[C@H](C)NC Amb28347026 [1,1,0,0,0,0|2,0,0]=4 4939 B7R0.10 C=C[C@@H](O)[C@H](O)CC Amb28429693 [1,1,0,0,0,0|2,0,0]=4 4940 B7R0.10 C=C[C@H](C)[C@H](C)C=O Amb27631138 [1,1,0,0,0,0|0,0,2]=4 4941 B7R0.10 C=C[C@H](N)[C@H](C)CO Amb27881737 [1,1,0,0,0,0|2,0,0]=4 4942 B7R0.10 C=C[C@H](O)[C@H](N)CC Amb27430452 [1,1,0,0,0,0|2,0,0]=4 4943 B7R0.10 CC(C#N)C(O)C=O Amb28239484 [1,1,0,0,0,0|1,0,1]=4 4944 B7R0.10 CC(C=O)C(C)CO Amb28048946 [1,1,0,0,0,0|1,0,0]=3 4945 B7R0.10 CC(C=O)C(O)CCl Amb27776790 [1,1,0,0,0,0|2,0,0]=4 4946 B7R0.10 CC(CN)C(C)CO Amb27221783 [1,1,0,0,0,0|1,0,1]=4 4947 B7R0.10 CC(CN)C(O)C=O Amb26370126 [1,1,0,0,0,0|1,0,0]=3 4948 B7R0.10 CC(CO)[C@@H](N)CO Amb27627408 [1,1,0,0,0,0|1,0,1]=4 4949 B7R0.10 CC(CO)[C@H](O)CO Amb27207438 [1,1,0,0,0,0|1,0,1]=4 4950 B7R0.10 CCC(=O)C(Br)C=O Amb27407783 [1,1,0,0,0,0|1,0,1]=4 4951 B7R0.10 CCC(C)C(=O)CO Amb24680373 [1,1,0,0,0,0|0,0,2]=4 4952 B7R0.10 CCC(C)C(=O)NO Amb6275767 [1,1,0,0,0,0|1,0,1]=4 4953 B7R0.10 CCC(C)C(C)C#N Amb26019298 [1,1,0,0,0,0|1,0,1]=4 4954 B7R0.10 CCC(C)C(C)C=O Amb18641810 [1,1,0,0,0,0|0,0,0]=2 4955 B7R0.10 CCC(C)C(C)CBr Amb26369815 [1,1,0,0,0,0|1,0,1]=4 4956 B7R0.10 CCC(C)C(C)CC Amb22047817 [1,1,0,0,0,0|1,0,1]=4 4957 B7R0.10 CCC(C)C(C)CCl Amb28240520 [1,1,0,0,0,0|1,0,1]=4 4958 B7R0.10 CCC(C)C(C)CN Amb18969884 [1,1,0,0,0,0|1,0,1]=4 4959 B7R0.10 CCC(C)C(C)CO Amb3941012 [1,1,0,0,0,0|0,0,1]=3 4960 B7R0.10 CCC(C)C(C)ON Amb24741152 [1,1,0,0,0,0|2,0,0]=4 4961 B7R0.10 CCC(C)C(Cl)C#N Amb28044744 [1,1,0,0,0,0|1,0,1]=4 4962 B7R0.10 CCC(C)C(Cl)CO Amb25337095 [1,1,0,0,0,0|0,0,1]=3 4963 B7R0.10 CCC(C)C(F)CN Amb26943717 [1,1,0,0,0,0|1,0,1]=4 4964 B7R0.10 CCC(C)C(N)C=O Amb27257596 [1,1,0,0,0,0|0,0,0]=2 4965 B7R0.10 CCC(C)C(N)CCl Amb27493423 [1,1,0,0,0,0|1,0,1]=4 4966 B7R0.10 CCC(C)C(N)CO Amb19267092 [1,1,0,0,0,0|0,0,1]=3 4967 B7R0.10 CCC(C)C(N)CO Amb8385507 [1,1,0,0,0,0|0,0,1]=3 4968 B7R0.10 CCC(C)C(O)C=O Amb28454245 [1,1,0,0,0,0|0,0,0]=2 4969 B7R0.10 CCC(C)C(O)CBr Amb33386559 [1,1,0,0,0,0|1,0,1]=4 4970 B7R0.10 CCC(C)C(O)CC Amb4017686 [1,1,0,0,0,0|1,0,1]=4 4971 B7R0.10 CCC(C)C(O)CCl Amb33262364 [1,1,0,0,0,0|1,0,1]=4 4972 B7R0.10 CCC(C)C(O)CF Amb24529323 [1,1,0,0,0,0|1,0,1]=4 4973 B7R0.10 CCC(C)C(O)CN Amb18291293 [1,1,0,0,0,0|1,0,1]=4 4974 B7R0.10 CCC(C)C(O)CO Amb24122822 [1,1,0,0,0,0|0,0,1]=3 4975 B7R0.10 CCC(C)[C@@H](C)CN Amb33744385 [1,1,0,0,0,0|1,0,1]=4 4976 B7R0.10 CCC(C)[C@@H](C)CO Amb33743088 [1,1,0,0,0,0|0,0,1]=3 4977 B7R0.10 CCC(C)[C@@H](N)CO Amb18015117 [1,1,0,0,0,0|0,0,1]=3 4978 B7R0.10 CCC(C)[C@@H](O)CN Amb33318447 [1,1,0,0,0,0|1,0,1]=4 4979 B7R0.10 CCC(C)[C@H](C)CN Amb33747147 [1,1,0,0,0,0|1,0,1]=4 4980 B7R0.10 CCC(C)[C@H](C)CO Amb33727274 [1,1,0,0,0,0|0,0,1]=3 4981 B7R0.10 CCC(C)[C@H](N)C#N Amb10808665 [1,1,0,0,0,0|1,0,1]=4 4982 B7R0.10 CCC(C)[C@H](N)CO Amb5785530 [1,1,0,0,0,0|0,0,1]=3 4983 B7R0.10 CCC(C)[C@H](O)CN Amb33318446 [1,1,0,0,0,0|1,0,1]=4 4984 B7R0.10 CCC(C)\C(C)=N\O Amb28124153 [1,1,0,0,0,0|1,0,1]=4 4985 B7R0.10 CCC(C)\C(Cl)=C\Cl Amb27865557 [1,1,0,0,0,0|1,0,1]=4 4986 B7R0.10 CCC(C)\C(Cl)=N\O Amb27654809 [1,1,0,0,0,0|1,0,1]=4 4987 B7R0.10 CCC(C)\C(N)=N\O Amb19516921 [1,1,0,0,0,0|1,0,1]=4 4988 B7R0.10 CCC(C)\C(N)=N\O Amb22586630 [1,1,0,0,0,0|1,0,1]=4 4989 B7R0.10 CCC(Cl)N(C)C=O Amb27649055 [1,1,0,0,0,0|2,0,0]=4 4990 B7R0.10 CCC(F)C(N)CO Amb28421837 [1,1,0,0,0,0|1,0,1]=4 4991 B7R0.10 CCC(O)C(=O)C=O Amb24722957 [1,1,0,0,0,0|1,0,1]=4 4992 B7R0.10 CCC(O)C(C)C=O Amb17593201 [1,1,0,0,0,0|1,0,0]=3 4993 B7R0.10 CCC(O)C(C)CO Amb24461954 [1,1,0,0,0,0|1,0,1]=4 4994 B7R0.10 CCC(S)C(C)CO Amb19515875 [1,1,0,0,0,0|1,0,1]=4 4995 B7R0.10 CCN(C)C(C)C=O Amb35647553 [1,1,0,0,0,0|1,0,0]=3 4996 B7R0.10 CCN(C)C(C)CO Amb10608083 [1,1,0,0,0,0|1,0,1]=4 4997 B7R0.10 CCN(C)[C@@H](C)CO Amb27197879 [1,1,0,0,0,0|1,0,1]=4 4998 B7R0.10 CCS(=O)C(C)C=O Amb35647337 [1,1,0,0,0,0|2,0,0]=4 4999 B7R0.10 CC[C@@H](C)[C@@H](C)C=O Amb28184530 [1,1,0,0,0,0|0,0,0]=2 5000 B7R0.10 CC[C@@H](C)[C@@H](N)CO Amb17678825 [1,1,0,0,0,0|0,0,1]=3 5001 B7R0.10 CC[C@@H](C)[C@@H](N)CO Amb33871568 [1,1,0,0,0,0|0,0,1]=3 5002 B7R0.10 CC[C@@H](C)[C@H](N)CBr Amb33228847 [1,1,0,0,0,0|1,0,1]=4 5003 B7R0.10 CC[C@@H](C)[C@H](N)CC Amb27655120 [1,1,0,0,0,0|1,0,1]=4 5004 B7R0.10 CC[C@@H](C)[C@H](N)CCl Amb27445092 [1,1,0,0,0,0|1,0,1]=4 5005 B7R0.10 CC[C@@H](C)[C@H](N)CN Amb33228848 [1,1,0,0,0,0|1,0,1]=4 5006 B7R0.10 CC[C@@H](C)[C@H](N)CO Amb25081749 [1,1,0,0,0,0|0,0,1]=3 5007 B7R0.10 CC[C@@H](C)[C@H](O)CO Amb28053912 [1,1,0,0,0,0|0,0,1]=3 5008 B7R0.10 CC[C@@H](O)[C@@H](N)CO Amb25131931 [1,1,0,0,0,0|1,0,1]=4 5009 B7R0.10 CC[C@@H](O)[C@H](C)NO Amb28197538 [1,1,0,0,0,0|2,0,0]=4 5010 B7R0.10 CC[C@H](C)[C@@H](N)CO Amb27966960 [1,1,0,0,0,0|0,0,1]=3 5011 B7R0.10 CC[C@H](C)[C@H](F)CO Amb27652853 [1,1,0,0,0,0|0,0,1]=3 5012 B7R0.10 CC[C@H](C)[C@H](N)C#N Amb28048991 [1,1,0,0,0,0|1,0,1]=4 5013 B7R0.10 CC[C@H](C)[C@H](N)C=O Amb28247667 [1,1,0,0,0,0|0,0,0]=2 5014 B7R0.10 CC[C@H](C)[C@H](N)CF Amb33624249 [1,1,0,0,0,0|1,0,1]=4 5015 B7R0.10 CC[C@H](C)[C@H](N)CO Amb2785297 [1,1,0,0,0,0|0,0,1]=3 5016 B7R0.10 CC[C@H](C)[C@H](N)CO Amb30867664 [1,1,0,0,0,0|0,0,1]=3 5017 B7R0.10 CC[C@H](C)[C@H](N)CS Amb28046833 [1,1,0,0,0,0|0,1,1]=4 5018 B7R0.10 CC\C(C)=C(/C)C=O Amb27622928 [1,1,0,0,0,0|0,0,2]=4 5019 B7R0.10 CC\C(C)=C(/F)C=O Amb27948535 [1,1,0,0,0,0|0,0,2]=4 5020 B7R0.10 CNC(C)C(O)CO Amb35660205 [1,1,0,0,0,0|1,0,1]=4 5021 B7R0.10 COC(C)C(=O)C=O Amb27622168 [1,1,0,0,0,0|1,0,1]=4 5022 B7R0.10 COC(C)C(Br)C=O Amb28119865 [1,1,0,0,0,0|1,0,0]=3 5023 B7R0.10 COC(C)C(C)CO Amb26508350 [1,1,0,0,0,0|1,0,1]=4 5024 B7R0.10 COC(C)C(C)NO Amb28288269 [1,1,0,0,0,0|2,0,0]=4 5025 B7R0.10 COC(C)[C@@H](C)CO Amb33746684 [1,1,0,0,0,0|1,0,1]=4 5026 B7R0.10 COC(C)[C@H](C)CO Amb33738170 [1,1,0,0,0,0|1,0,1]=4 5027 B7R0.10 CO[C@H](C)[C@H](N)CO Amb25221786 [1,1,0,0,0,0|1,0,1]=4 5028 B7R0.10 CSC(C)C(O)CO Amb27261506 [1,1,0,0,0,0|1,0,1]=4 5029 B7R0.10 C[C@@H](CO)[C@@H](N)CO Amb27758321 [1,1,0,0,0,0|1,0,1]=4 5030 B7R0.10 C[C@@H](CO)[C@H](N)CO Amb27628042 [1,1,0,0,0,0|1,0,1]=4 5031 B7R0.10 C[C@@H](CO)[C@H](O)CO Amb28400332 [1,1,0,0,0,0|1,0,1]=4 5032 B7R0.10 C\C=C(/C)C(C)CC Amb25989296 [1,1,0,0,0,0|1,0,1]=4 5033 B7R0.10 O=CC(O)C(O)CO Amb8513487 [1,1,0,0,0,0|2,0,0]=4 5034 B7R0.10 O=C[C@@H](O)[C@@H](O)CO Amb25839823 [1,1,0,0,0,0|2,0,0]=4 5035 B7R0.10 O=C[C@H](O)[C@@H](O)CO Amb24481533 [1,1,0,0,0,0|2,0,0]=4 5036 B7R0.10 O=C[C@H](O)[C@H](O)CO Amb9825398 [1,1,0,0,0,0|2,0,0]=4 5037 B7R0.10 [C-]#[N+]C(C)C(C)CC Amb33373876 [1,1,0,0,0,0|2,0,0]=4 5038 B7R0.11 C#CCC(C)(C)CC Amb33266331 [1,1,0,0,0,0|1,0,1]=4 5039 B7R0.11 C#CCC(C)(N)CC Amb26407340 [1,1,0,0,0,0|1,0,1]=4 5040 B7R0.11 C#CCC(C)(O)CC Amb20622996 [1,1,0,0,0,0|1,0,1]=4 5041 B7R0.11 C=CC(C)(C)CC=O Amb17593166 [1,1,0,0,0,0|0,0,2]=4 5042 B7R0.11 C=CCC(C)(C)CBr Amb25853098 [1,1,0,0,0,0|2,0,0]=4 5043 B7R0.11 C=CCC(C)(C)CC Amb17674170 [1,1,0,0,0,0|1,0,0]=3 5044 B7R0.11 C=CCC(C)(C)CCl Amb24630347 [1,1,0,0,0,0|2,0,0]=4 5045 B7R0.11 C=CCC(C)(C)CN Amb18641743 [1,1,0,0,0,0|2,0,0]=4 5046 B7R0.11 C=CCC(C)(C)CN Amb28934872 [1,1,0,0,0,0|2,0,0]=4 5047 B7R0.11 C=CCC(C)(C)CO Amb21858875 [1,1,0,0,0,0|2,0,0]=4 5048 B7R0.11 C=CCC(C)(C)OC Amb28457661 [1,1,0,0,0,0|2,0,0]=4 5049 B7R0.11 C=CCC(C)(Cl)CO Amb27197102 [1,1,0,0,0,0|2,0,0]=4 5050 B7R0.11 C=CCC(C)(F)CN Amb27262057 [1,1,0,0,0,0|2,0,0]=4 5051 B7R0.11 C=CCC(C)(N)CC Amb25849362 [1,1,0,0,0,0|1,0,0]=3 5052 B7R0.11 C=CCC(C)(O)CC Amb3940624 [1,1,0,0,0,0|1,0,0]=3 5053 B7R0.11 C=CC[C@](C)(N)CO Amb25121415 [1,1,0,0,0,0|2,0,0]=4 5054 B7R0.11 C=COC(C)(C)CC Amb22363175 [1,1,0,0,0,0|2,0,0]=4 5055 B7R0.11 CC(C)(C#N)CC=O Amb10071050 [1,1,0,0,0,0|1,0,1]=4 5056 B7R0.11 CC(C)(CBr)CC=O Amb27659232 [1,1,0,0,0,0|1,0,0]=3 5057 B7R0.11 CC(C)(CBr)CCO Amb32685011 [1,1,0,0,0,0|1,0,1]=4 5058 B7R0.11 CC(C)(CCl)CCO Amb32684944 [1,1,0,0,0,0|1,0,1]=4 5059 B7R0.11 CC(C)(CN)CCO Amb17569910 [1,1,0,0,0,0|1,0,1]=4 5060 B7R0.11 CC(C)(CO)CC=O Amb24481534 [1,1,0,0,0,0|1,0,0]=3 5061 B7R0.11 CC(C)(CO)CCO Amb28046524 [1,1,0,0,0,0|1,0,1]=4 5062 B7R0.11 CC(C)(CO)CNO Amb25786898 [1,1,0,0,0,0|2,0,0]=4 5063 B7R0.11 CC(O)(CBr)CCO Amb28137939 [1,1,0,0,0,0|1,0,1]=4 5064 B7R0.11 CC(O)(CN)CCO Amb29850653 [1,1,0,0,0,0|1,0,1]=4 5065 B7R0.11 CC(O)(CN)CCO Amb35751149 [1,1,0,0,0,0|1,0,1]=4 5066 B7R0.11 CC(O)(CO)CCO Amb24082585 [1,1,0,0,0,0|1,0,1]=4 5067 B7R0.11 CCC(C)(Br)CNC Amb27393688 [1,1,0,0,0,0|2,0,0]=4 5068 B7R0.11 CCC(C)(C)CC#N Amb26974130 [1,1,0,0,0,0|1,0,1]=4 5069 B7R0.11 CCC(C)(C)CC=O Amb10572829 [1,1,0,0,0,0|0,0,0]=2 5070 B7R0.11 CCC(C)(C)CCBr Amb22227894 [1,1,0,0,0,0|1,0,1]=4 5071 B7R0.11 CCC(C)(C)CCCl Amb19375535 [1,1,0,0,0,0|1,0,1]=4 5072 B7R0.11 CCC(C)(C)CCI Amb35592820 [1,1,0,0,0,0|1,0,1]=4 5073 B7R0.11 CCC(C)(C)CCN Amb25867142 [1,1,0,0,0,0|1,0,1]=4 5074 B7R0.11 CCC(C)(C)CCN Amb30585107 [1,1,0,0,0,0|1,0,1]=4 5075 B7R0.11 CCC(C)(C)CCO Amb10572828 [1,1,0,0,0,0|0,0,1]=3 5076 B7R0.11 CCC(C)(C)CCS Amb29854182 [1,1,0,0,0,0|0,1,1]=4 5077 B7R0.11 CCC(C)(C)CNC Amb18994910 [1,1,0,0,0,0|2,0,0]=4 5078 B7R0.11 CCC(C)(C)CNN Amb25770702 [1,1,0,0,0,0|2,0,0]=4 5079 B7R0.11 CCC(C)(C)CNO Amb26949565 [1,1,0,0,0,0|1,0,0]=3 5080 B7R0.11 CCC(C)(C)CON Amb33316348 [1,1,0,0,0,0|2,0,0]=4 5081 B7R0.11 CCC(C)(C)N=C=O Amb18963206 [1,1,0,0,0,0|1,0,1]=4 5082 B7R0.11 CCC(C)(C)NC=O Amb26918304 [1,1,0,0,0,0|1,0,0]=3 5083 B7R0.11 CCC(C)(C)\C=C\Cl Amb27858786 [1,1,0,0,0,0|1,0,1]=4 5084 B7R0.11 CCC(C)(Cl)CC=O Amb27260590 [1,1,0,0,0,0|0,0,0]=2 5085 B7R0.11 CCC(C)(Cl)CCO Amb28206194 [1,1,0,0,0,0|0,0,1]=3 5086 B7R0.11 CCC(C)(N)CC#N Amb27470739 [1,1,0,0,0,0|1,0,1]=4 5087 B7R0.11 CCC(C)(N)CCO Amb20669289 [1,1,0,0,0,0|0,0,1]=3 5088 B7R0.11 CCC(C)(N)COC Amb18299243 [1,1,0,0,0,0|2,0,0]=4 5089 B7R0.11 CCC(C)(O)CCN Amb33549712 [1,1,0,0,0,0|1,0,1]=4 5090 B7R0.11 CCC(C)(O)CCO Amb25204241 [1,1,0,0,0,0|0,0,1]=3 5091 B7R0.11 CCC(F)(F)CC=O Amb35631741 [1,1,0,0,0,0|1,0,0]=3 5092 B7R0.11 CCC(F)(F)CCO Amb29882375 [1,1,0,0,0,0|1,0,1]=4 5093 B7R0.11 CCCC(C)(C)CC Amb4019541 [1,1,0,0,0,0|1,0,1]=4 5094 B7R0.11 CCCC(C)(Cl)CC Amb22052661 [1,1,0,0,0,0|1,0,1]=4 5095 B7R0.11 CCCC(C)(O)CC Amb4035870 [1,1,0,0,0,0|1,0,1]=4 5096 B7R0.11 CCS(=O)(=O)CC=O Amb23452894 [1,1,0,0,0,0|2,0,0]=4 5097 B7R0.11 CC[N+](C)(C)CCO Amb28249446 [1,1,0,0,0,0|1,0,1]=4 5098 B7R0.11 CC[N+](C)(C)CCO Amb33756692 [1,1,0,0,0,0|1,0,1]=4 5099 B7R0.11 CNC(C)(C)CCO Amb17569911 [1,1,0,0,0,0|1,0,1]=4 5100 B7R0.11 COC(C)(C)CC=O Amb25715607 [1,1,0,0,0,0|1,0,0]=3 5101 B7R0.11 COC(C)(C)CCO Amb3939220 [1,1,0,0,0,0|1,0,1]=4 5102 B7R0.11 COC(C)(C)CNO Amb27758849 [1,1,0,0,0,0|2,0,0]=4 5103 B7R0.11 COP(C)(=O)CC=O Amb27192034 [1,1,0,0,0,0|2,0,0]=4 5104 B7R0.11 CSC(C)(C)CC=O Amb26015185 [1,1,0,0,0,0|1,0,0]=3 5105 B7R0.11 C[C@@](O)(CCl)CCO Amb28046773 [1,1,0,0,0,0|1,0,1]=4 5106 B7R0.11 C[C@@](O)(CO)CCO Amb27652970 [1,1,0,0,0,0|1,0,1]=4 5107 B7R0.11 [C-]#[N+]CC(C)(C)CC Amb33266686 [1,1,0,0,0,0|2,0,0]=4 5108 B7R0.12 C#CCC(CC)CC Amb33313772 [1,1,0,0,0,0|1,0,1]=4 5109 B7R0.12 C#CCC(CC)OC Amb33325776 [1,1,0,0,0,0|1,0,1]=4 5110 B7R0.12 C#C[C@@H](CC=O)OC Amb27828911 [1,1,0,0,0,0|0,0,2]=4 5111 B7R0.12 C=CCC(CC)CBr Amb27223717 [1,1,0,0,0,0|1,0,0]=3 5112 B7R0.12 C=CCC(CC)CC Amb25358315 [1,1,0,0,0,0|1,0,0]=3 5113 B7R0.12 C=CCC(CC)CCl Amb26848982 [1,1,0,0,0,0|1,0,0]=3 5114 B7R0.12 C=CCC(CC)CN Amb18641746 [1,1,0,0,0,0|1,0,0]=3 5115 B7R0.12 C=CCC(CC)CO Amb27218609 [1,1,0,0,0,0|1,0,0]=3 5116 B7R0.12 C=CCC(CC)NN Amb27815954 [1,1,0,0,0,0|2,0,0]=4 5117 B7R0.12 C=CCC(CN)CN Amb27792146 [1,1,0,0,0,0|2,0,0]=4 5118 B7R0.12 C=CCC(CN)CO Amb18641843 [1,1,0,0,0,0|2,0,0]=4 5119 B7R0.12 C=CCC(CN)CO Amb33291326 [1,1,0,0,0,0|2,0,0]=4 5120 B7R0.12 C=CCC(OC)OC Amb6297130 [1,1,0,0,0,0|2,0,0]=4 5121 B7R0.12 C=CCN(CC)CC Amb17933922 [1,1,0,0,0,0|2,0,0]=4 5122 B7R0.12 C=CC[C@@H](CN)CO Amb28313118 [1,1,0,0,0,0|2,0,0]=4 5123 B7R0.12 C=CC[C@H](CC)CO Amb28400708 [1,1,0,0,0,0|1,0,0]=3 5124 B7R0.12 C=C[C@H](CC)CC=O Amb27751329 [1,1,0,0,0,0|0,0,1]=3 5125 B7R0.12 C=C[C@H](CC)CCO Amb27812473 [1,1,0,0,0,0|0,0,2]=4 5126 B7R0.12 CCC(C#N)NC=O Amb27839037 [1,1,0,0,0,0|1,0,1]=4 5127 B7R0.12 CCC(CBr)COC Amb25689729 [1,1,0,0,0,0|2,0,0]=4 5128 B7R0.12 CCC(CC#N)NC Amb8868797 [1,1,0,0,0,0|1,0,1]=4 5129 B7R0.12 CCC(CC#N)OC Amb8868711 [1,1,0,0,0,0|1,0,1]=4 5130 B7R0.12 CCC(CC)CC=O Amb20669521 [1,1,0,0,0,0|0,0,0]=2 5131 B7R0.12 CCC(CC)CCBr Amb22641829 [1,1,0,0,0,0|1,0,1]=4 5132 B7R0.12 CCC(CC)CCCl Amb24388955 [1,1,0,0,0,0|1,0,1]=4 5133 B7R0.12 CCC(CC)CCN Amb839083 [1,1,0,0,0,0|1,0,1]=4 5134 B7R0.12 CCC(CC)CCO Amb17593204 [1,1,0,0,0,0|0,0,1]=3 5135 B7R0.12 CCC(CC)CCS Amb33225920 [1,1,0,0,0,0|0,1,1]=4 5136 B7R0.12 CCC(CC)CNC Amb1119574 [1,1,0,0,0,0|2,0,0]=4 5137 B7R0.12 CCC(CC)CNN Amb33292434 [1,1,0,0,0,0|2,0,0]=4 5138 B7R0.12 CCC(CC)CNN Amb6244411 [1,1,0,0,0,0|2,0,0]=4 5139 B7R0.12 CCC(CC)CNO Amb24612926 [1,1,0,0,0,0|1,0,0]=3 5140 B7R0.12 CCC(CC)CON Amb26587390 [1,1,0,0,0,0|2,0,0]=4 5141 B7R0.12 CCC(CC)C[Mg]Br Amb22000561 [1,1,0,0,0,0|2,0,0]=4 5142 B7R0.12 CCC(CC)C[Zn]Br Amb22000420 [1,1,0,0,0,0|2,0,0]=4 5143 B7R0.12 CCC(CC)N=C=O Amb6278512 [1,1,0,0,0,0|1,0,1]=4 5144 B7R0.12 CCC(CC)OC=O Amb27668664 [1,1,0,0,0,0|1,0,0]=3 5145 B7R0.12 CCC(CC=O)OC Amb25282646 [1,1,0,0,0,0|0,0,0]=2 5146 B7R0.12 CCC(CC=O)SC Amb27794075 [1,1,0,0,0,0|0,0,0]=2 5147 B7R0.12 CCC(CCBr)NC Amb27458285 [1,1,0,0,0,0|1,0,1]=4 5148 B7R0.12 CCC(CCBr)OC Amb27226850 [1,1,0,0,0,0|1,0,1]=4 5149 B7R0.12 CCC(CCN)OC Amb9286164 [1,1,0,0,0,0|1,0,1]=4 5150 B7R0.12 CCC(CCO)OC Amb26370513 [1,1,0,0,0,0|0,0,1]=3 5151 B7R0.12 CCC(CCS)OC Amb33325390 [1,1,0,0,0,0|0,1,1]=4 5152 B7R0.12 CCC(CCl)COC Amb24712697 [1,1,0,0,0,0|2,0,0]=4 5153 B7R0.12 CCC(CN)CCCl Amb28044211 [1,1,0,0,0,0|1,0,1]=4 5154 B7R0.12 CCC(CN)CCO Amb20622423 [1,1,0,0,0,0|0,0,1]=3 5155 B7R0.12 CCC(CN)COC Amb24120384 [1,1,0,0,0,0|2,0,0]=4 5156 B7R0.12 CCC(CNC)OC Amb19023048 [1,1,0,0,0,0|2,0,0]=4 5157 B7R0.12 CCC(CNN)OC Amb25946776 [1,1,0,0,0,0|2,0,0]=4 5158 B7R0.12 CCC(CNO)OC Amb25962938 [1,1,0,0,0,0|1,0,0]=3 5159 B7R0.12 CCC(CO)CC#N Amb18641732 [1,1,0,0,0,0|1,0,1]=4 5160 B7R0.12 CCC(CO)CCN Amb27838851 [1,1,0,0,0,0|1,0,1]=4 5161 B7R0.12 CCC(CO)COC Amb27474297 [1,1,0,0,0,0|2,0,0]=4 5162 B7R0.12 CCC(CON)OC Amb26903440 [1,1,0,0,0,0|2,0,0]=4 5163 B7R0.12 CCC(CS)COC Amb28255077 [1,1,0,0,0,0|2,0,0]=4 5164 B7R0.12 CCC(CSC)NC Amb19032081 [1,1,0,0,0,0|2,0,0]=4 5165 B7R0.12 CCC(\C=C\Cl)CC Amb27202575 [1,1,0,0,0,0|1,0,1]=4 5166 B7R0.12 CCC(\C=C\I)CC Amb30621740 [1,1,0,0,0,0|1,0,1]=4 5167 B7R0.12 CCC(\C=N\O)OC Amb27216011 [1,1,0,0,0,0|1,0,1]=4 5168 B7R0.12 CCCC(CC)CBr Amb24710188 [1,1,0,0,0,0|1,0,1]=4 5169 B7R0.12 CCCC(CC)CC Amb4019540 [1,1,0,0,0,0|1,0,1]=4 5170 B7R0.12 CCCC(CC)CCl Amb27256711 [1,1,0,0,0,0|1,0,1]=4 5171 B7R0.12 CCCC(CC)CO Amb26486953 [1,1,0,0,0,0|1,0,1]=4 5172 B7R0.12 CCCC(CC)SC Amb27457518 [1,1,0,0,0,0|1,0,1]=4 5173 B7R0.12 CCC[C@@H](CC)CO Amb27405222 [1,1,0,0,0,0|1,0,1]=4 5174 B7R0.12 CCC[C@H](CC)CBr Amb27595055 [1,1,0,0,0,0|1,0,1]=4 5175 B7R0.12 CCN(CC)CCO Amb10807428 [1,1,0,0,0,0|1,0,1]=4 5176 B7R0.12 CCN(CC)CCO Amb3940100 [1,1,0,0,0,0|1,0,1]=4 5177 B7R0.12 CC[C@@H](CF)CCO Amb27651942 [1,1,0,0,0,0|0,0,1]=3 5178 B7R0.12 CC[C@@H](CO)CC#N Amb27602269 [1,1,0,0,0,0|1,0,1]=4 5179 B7R0.12 CC[C@H](CO)NC=O Amb27838419 [1,1,0,0,0,0|1,0,0]=3 5180 B7R0.12 CC[S+](CC)CCO Amb28049168 [1,1,0,0,0,0|1,0,1]=4 5181 B7R0.12 CC\C(=C/C=O)SC Amb27440443 [1,1,0,0,0,0|0,0,2]=4 5182 B7R0.12 COC(CC=O)OC Amb28193036 [1,1,0,0,0,0|1,0,0]=3 5183 B7R0.12 COC(CCO)OC Amb25357764 [1,1,0,0,0,0|1,0,1]=4 5184 B7R0.12 COC(CN)CCO Amb27449747 [1,1,0,0,0,0|1,0,1]=4 5185 B7R0.12 COC(CN)CCO Amb35789019 [1,1,0,0,0,0|1,0,1]=4 5186 B7R0.12 COC(CNO)OC Amb28048988 [1,1,0,0,0,0|2,0,0]=4 5187 B7R0.12 COC(CO)CCO Amb28066154 [1,1,0,0,0,0|1,0,1]=4 5188 B7R0.12 COC(NC=O)OC Amb28313110 [1,1,0,0,0,0|2,0,0]=4 5189 B7R0.12 CO[C@@H](CO)CCO Amb27764792 [1,1,0,0,0,0|1,0,1]=4 5190 B7R0.12 C\C=C(/CC)CCO Amb27783044 [1,1,0,0,0,0|0,0,2]=4 5191 B7R0.12 C\C=C\C(CC)CC Amb22730434 [1,1,0,0,0,0|1,0,1]=4 5192 B7R0.12 C\C=C\C(CC)NC Amb27204826 [1,1,0,0,0,0|1,0,1]=4 5193 B7R0.12 O=CNC(CO)CO Amb27806540 [1,1,0,0,0,0|2,0,0]=4 5194 B7R0.12 O=COC(CCl)CCl Amb28060123 [1,1,0,0,0,0|2,0,0]=4 5195 B7R0.12 OCCC(CO)CO Amb27834379 [1,1,0,0,0,0|1,0,1]=4 5196 B7R0.12 [C-]#[N+]CC(CC)CC Amb33313795 [1,1,0,0,0,0|2,0,0]=4 5197 B7R0.12 [C-]#[N+]CC(CC)OC Amb33324327 [1,1,0,0,0,0|2,0,0]=4 5198 B7R0.9 C=C(C)CC(C)(C)N Amb30030887 [1,1,0,0,0,0|2,0,0]=4 5199 B7R0.9 C=C(C)CC(C)(C)O Amb22052674 [1,1,0,0,0,0|2,0,0]=4 5200 B7R0.9 CC(=O)CC(C)(C)C Amb4605984 [1,1,0,0,0,0|1,0,0]=3 5201 B7R0.9 CC(=O)CC(C)(C)Cl Amb27861037 [1,1,0,0,0,0|1,0,0]=3 5202 B7R0.9 CC(=O)CC(C)(C)N Amb3940544 [1,1,0,0,0,0|1,0,0]=3 5203 B7R0.9 CC(=O)CC(C)(C)N Amb4136360 [1,1,0,0,0,0|1,0,0]=3 5204 B7R0.9 CC(=O)CC(C)(C)O Amb2721701 [1,1,0,0,0,0|1,0,0]=3 5205 B7R0.9 CC(=O)CC(C)(C)S Amb17593394 [1,1,0,0,0,0|1,0,0]=3 5206 B7R0.9 CC(=O)CC(C)(F)F Amb21951914 [1,1,0,0,0,0|2,0,0]=4 5207 B7R0.9 CC(=O)C[N+](C)(C)C Amb32661846 [1,1,0,0,0,0|2,0,0]=4 5208 B7R0.9 CC(=O)C[N+](C)(C)C Amb32662610 [1,1,0,0,0,0|2,0,0]=4 5209 B7R0.9 CC(=O)C[P+](C)(C)C Amb28285163 [1,1,0,0,0,0|2,0,0]=4 5210 B7R0.9 CC(=O)NC(C)(C)C Amb2721059 [1,1,0,0,0,0|2,0,0]=4 5211 B7R0.9 CC(=O)OC(C)(C)C Amb8386362 [1,1,0,0,0,0|2,0,0]=4 5212 B7R0.9 CC(=O)OC(C)(C)Cl Amb28456284 [1,1,0,0,0,0|2,0,0]=4 5213 B7R0.9 CC(=O)SC(C)(C)C Amb22231459 [1,1,0,0,0,0|2,0,0]=4 5214 B7R0.9 CC(C)(Br)CC(=O)Cl Amb32665504 [1,1,0,0,0,0|1,0,0]=3 5215 B7R0.9 CC(C)(Br)CC(=O)O Amb27400399 [1,1,0,0,0,0|0,0,0]=2 5216 B7R0.9 CC(C)(C)CB(O)O Amb13890355 [1,1,0,0,0,0|1,0,1]=4 5217 B7R0.9 CC(C)(C)CC(=N)N Amb33292469 [1,1,0,0,0,0|2,0,0]=4 5218 B7R0.9 CC(C)(C)CC(=O)Cl Amb3939309 [1,1,0,0,0,0|1,0,0]=3 5219 B7R0.9 CC(C)(C)CC(=O)O Amb3939865 [1,1,0,0,0,0|0,0,0]=2 5220 B7R0.9 CC(C)(C)CC(N)=O Amb3886534 [1,1,0,0,0,0|1,0,0]=3 5221 B7R0.9 CC(C)(C)CC(N)=S Amb26548586 [1,1,0,0,0,0|1,1,0]=4 5222 B7R0.9 CC(C)(C)CS(=O)Cl Amb25914797 [1,1,0,0,0,0|2,0,0]=4 5223 B7R0.9 CC(C)(C)CS(=O)[O-] Amb27826292 [1,1,0,0,0,0|1,0,1]=4 5224 B7R0.9 CC(C)(C)CS(N)=O Amb32720484 [1,1,0,0,0,0|2,0,0]=4 5225 B7R0.9 CC(C)(C)C[N+](=O)[O-] Amb27168586 [1,1,0,0,0,0|1,0,1]=4 5226 B7R0.9 CC(C)(C)NC(N)=O Amb2721329 [1,1,0,0,0,0|2,0,0]=4 5227 B7R0.9 CC(C)(C)OC(=O)Cl Amb6743390 [1,1,0,0,0,0|2,0,0]=4 5228 B7R0.9 CC(C)(C)OC(N)=O Amb2236390 [1,1,0,0,0,0|2,0,0]=4 5229 B7R0.9 CC(C)(C)SC(=O)Cl Amb22353785 [1,1,0,0,0,0|2,0,0]=4 5230 B7R0.9 CC(C)(Cl)CC(=O)O Amb28047719 [1,1,0,0,0,0|0,0,0]=2 5231 B7R0.9 CC(C)(F)CC(=N)N Amb33227105 [1,1,0,0,0,0|2,0,0]=4 5232 B7R0.9 CC(C)(F)CC(=O)O Amb26360155 [1,1,0,0,0,0|0,0,0]=2 5233 B7R0.9 CC(C)(F)CC(N)=S Amb33272488 [1,1,0,0,0,0|1,1,0]=4 5234 B7R0.9 CC(C)(F)C[N+](=O)[O-] Amb33271808 [1,1,0,0,0,0|1,0,1]=4 5235 B7R0.9 CC(C)(N)CC(=O)Cl Amb27173472 [1,1,0,0,0,0|1,0,0]=3 5236 B7R0.9 CC(C)(N)CC(=O)O Amb19267108 [1,1,0,0,0,0|0,0,0]=2 5237 B7R0.9 CC(C)(N)CC(=O)O Amb2691269 [1,1,0,0,0,0|0,0,0]=2 5238 B7R0.9 CC(C)(N)CC(=O)O Amb33109875 [1,1,0,0,0,0|0,0,0]=2 5239 B7R0.9 CC(C)(N)CC(N)=O Amb23402094 [1,1,0,0,0,0|1,0,0]=3 5240 B7R0.9 CC(C)(N)CC(N)=O Amb24271090 [1,1,0,0,0,0|1,0,0]=3 5241 B7R0.9 CC(C)(O)CC(=O)O Amb10605560 [1,1,0,0,0,0|0,0,0]=2 5242 B7R0.9 CC(C)(O)CC(=O)[O-] Amb17678748 [1,1,0,0,0,0|0,0,1]=3 5243 B7R0.9 CC(C)(O)CC(=O)[O-] Amb22729769 [1,1,0,0,0,0|0,0,1]=3 5244 B7R0.9 CC(C)(O)CC(N)=O Amb25889946 [1,1,0,0,0,0|1,0,0]=3 5245 B7R0.9 CC(C)(O)C[N+](=O)[O-] Amb2586533 [1,1,0,0,0,0|1,0,1]=4 5246 B7R0.9 CC(C)(S)CC(=O)O Amb28314250 [1,1,0,0,0,0|0,0,0]=2 5247 B7R0.9 CC(C)CC(C)(C)O Amb4018559 [1,1,0,0,0,0|1,0,1]=4 5248 B7R0.9 CC(C)CP(C)(=O)Cl Amb27882661 [1,1,0,0,0,0|2,0,0]=4 5249 B7R0.9 CC(C)CS(=O)(=O)Br Amb23555503 [1,1,0,0,0,0|1,0,1]=4 5250 B7R0.9 CC(C)CS(=O)(=O)Cl Amb8397044 [1,1,0,0,0,0|1,0,1]=4 5251 B7R0.9 CC(C)CS(=O)(=O)F Amb19893332 [1,1,0,0,0,0|1,0,1]=4 5252 B7R0.9 CC(C)CS(=O)(=O)O Amb28349282 [1,1,0,0,0,0|1,0,0]=3 5253 B7R0.9 CC(C)CS(=O)(=O)[S-] Amb3987906 [1,1,0,0,0,0|1,0,1]=4 5254 B7R0.9 CC(C)CS(C)(=N)=O Amb32671042 [1,1,0,0,0,0|2,0,0]=4 5255 B7R0.9 CC(C)CS(N)(=O)=O Amb13951979 [1,1,0,0,0,0|1,0,1]=4 5256 B7R0.9 CC(C)NS(=O)(=O)O Amb28385158 [1,1,0,0,0,0|2,0,0]=4 5257 B7R0.9 CC(C)OP(=O)(O)O Amb22493772 [1,1,0,0,0,0|2,0,0]=4 5258 B7R0.9 CC(C)OP(C)(=O)O Amb10842159 [1,1,0,0,0,0|2,0,0]=4 5259 B7R0.9 CC(F)(F)CC(=O)Cl Amb27596822 [1,1,0,0,0,0|2,0,0]=4 5260 B7R0.9 CC(F)(F)CC(=O)O Amb26018420 [1,1,0,0,0,0|1,0,0]=3 5261 B7R0.9 CC(N)CP(=O)(O)O Amb27592463 [1,1,0,0,0,0|2,0,0]=4 5262 B7R0.9 CC(O)(F)CC(=O)O Amb28072926 [1,1,0,0,0,0|1,0,0]=3 5263 B7R0.9 CC(O)(O)CC(=O)O Amb27405076 [1,1,0,0,0,0|1,0,0]=3 5264 B7R0.9 CC(O)(O)CC(N)=O Amb27882731 [1,1,0,0,0,0|2,0,0]=4 5265 B7R0.9 CC(O)CC(C)(C)C Amb22337936 [1,1,0,0,0,0|1,0,1]=4 5266 B7R0.9 CC(O)CC(C)(C)F Amb26885413 [1,1,0,0,0,0|1,0,1]=4 5267 B7R0.9 CC(O)CC(C)(C)N Amb2785812 [1,1,0,0,0,0|1,0,1]=4 5268 B7R0.9 CC(O)CC(C)(C)O Amb8386003 [1,1,0,0,0,0|1,0,1]=4 5269 B7R0.9 CC(O)CS(=O)(=O)O Amb17593541 [1,1,0,0,0,0|2,0,0]=4 5270 B7R0.9 CN(O)CC(C)(C)C Amb33313056 [1,1,0,0,0,0|2,0,0]=4 5271 B7R0.9 CN(O)CC(C)(C)F Amb33273010 [1,1,0,0,0,0|2,0,0]=4 5272 B7R0.9 CP(=O)(O)CC(=O)O Amb3371772 [1,1,0,0,0,0|2,0,0]=4 5273 B7R0.9 CP(C)(=O)CC(=O)O Amb25197683 [1,1,0,0,0,0|1,0,0]=3 5274 B7R0.9 CS(=O)(=O)CC(=O)O Amb3939888 [1,1,0,0,0,0|2,0,0]=4 5275 B7R0.9 CS(C)(Cl)CC(=O)O Amb27633859 [1,1,0,0,0,0|1,0,0]=3 5276 B7R0.9 C[C@@H](O)CC(C)(C)C Amb24544035 [1,1,0,0,0,0|1,0,1]=4 5277 B7R0.9 C[C@@H](O)CC(C)(C)F Amb33272516 [1,1,0,0,0,0|1,0,1]=4 5278 B7R0.9 C[C@@H](O)CC(C)(C)O Amb10606102 [1,1,0,0,0,0|1,0,1]=4 5279 B7R0.9 C[C@H](N)CP(=O)(O)O Amb27647907 [1,1,0,0,0,0|2,0,0]=4 5280 B7R0.9 C[C@H](N)CS(=O)(=O)O Amb25760668 [1,1,0,0,0,0|2,0,0]=4 5281 B7R0.9 C[C@H](O)CC(C)(C)C Amb24672407 [1,1,0,0,0,0|1,0,1]=4 5282 B7R0.9 C[C@H](O)CC(C)(C)F Amb33272517 [1,1,0,0,0,0|1,0,1]=4 5283 B7R0.9 C[C@H](O)CC(C)(C)O Amb20669803 [1,1,0,0,0,0|1,0,1]=4 5284 B7R0.9 C[N+](C)(C)CC(=O)O Amb3428940 [1,1,0,0,0,0|1,0,0]=3 5285 B7R0.9 C[N+](C)(C)CC(=O)[O-] Amb10843741 [1,1,0,0,0,0|1,0,1]=4 5286 B7R0.9 C[N+](C)(C)CC(=O)[O-] Amb22002454 [1,1,0,0,0,0|1,0,1]=4 5287 B7R0.9 C[N+](C)(C)CC(=O)[O-] Amb6599998 [1,1,0,0,0,0|1,0,1]=4 5288 B7R0.9 C[N+](C)(C)CC(N)=O Amb4282755 [1,1,0,0,0,0|2,0,0]=4 5289 B7R0.9 C[N+](C)(N)CC(=O)O Amb27242840 [1,1,0,0,0,0|1,0,0]=3 5290 B7R0.9 C[Si](C)(C)CC(=O)O Amb19894126 [1,1,0,0,0,0|0,1,0]=3 5291 B7R0.9 O=C(O)CC(Cl)(Cl)Cl Amb27955278 [1,1,0,0,0,0|2,0,0]=4 5292 B7R0.9 O=C(O)CC(F)(F)Br Amb24373833 [1,1,0,0,0,0|2,0,0]=4 5293 B7R0.9 O=C(O)CC(F)(F)F Amb2691112 [1,1,0,0,0,0|2,0,0]=4 5294 B7R0.16 C=C(C(=O)O)C(C)C Amb17593189 [1,1,0,0,0,0|0,0,1]=3 5295 B7R0.16 C=C(C(=O)O)C(C)N Amb27794714 [1,1,0,0,0,0|1,0,1]=4 5296 B7R0.16 C=C(C(=O)O)N(C)C Amb27162682 [1,1,0,0,0,0|1,0,1]=4 5297 B7R0.16 C=C(C(=O)O)[C@@H](C)N Amb27440248 [1,1,0,0,0,0|1,0,1]=4 5298 B7R0.16 C=C(C(=O)O)[C@H](C)O Amb27410183 [1,1,0,0,0,0|1,0,1]=4 5299 B7R0.16 C=C(C)C(C)C(=O)O Amb18641781 [1,1,0,0,0,0|0,0,2]=4 5300 B7R0.16 C=C(C)C(N)C(=O)O Amb18641831 [1,1,0,0,0,0|0,0,2]=4 5301 B7R0.16 C=C(C)C(N)C(C)C Amb18641748 [1,1,0,0,0,0|2,0,0]=4 5302 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [1,1,0,0,0,0|0,0,2]=4 5303 B7R0.16 C=C(C)[C@@H](N)C(=O)O Amb26012631 [1,1,0,0,0,0|0,0,2]=4 5304 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [1,1,0,0,0,0|0,0,2]=4 5305 B7R0.16 CC(=O)C(=O)C(C)C Amb26614542 [1,1,0,0,0,0|1,0,1]=4 5306 B7R0.16 CC(=O)C(Br)C(C)C Amb2389580 [1,1,0,0,0,0|1,0,0]=3 5307 B7R0.16 CC(=O)C(Br)C(C)Cl Amb27791473 [1,1,0,0,0,0|2,0,0]=4 5308 B7R0.16 CC(=O)C(C)C(C)O Amb17593202 [1,1,0,0,0,0|2,0,0]=4 5309 B7R0.16 CC(=O)C(C)[C@@H](C)O Amb28316228 [1,1,0,0,0,0|2,0,0]=4 5310 B7R0.16 CC(=O)C(Cl)C(C)C Amb24483197 [1,1,0,0,0,0|1,0,0]=3 5311 B7R0.16 CC(=O)C(F)C(C)O Amb28437134 [1,1,0,0,0,0|2,0,0]=4 5312 B7R0.16 CC(=O)C(N)C(=O)O Amb21962887 [1,1,0,0,0,0|1,0,1]=4 5313 B7R0.16 CC(=O)C(N)C(C)C Amb23536905 [1,1,0,0,0,0|1,0,0]=3 5314 B7R0.16 CC(=O)C(O)C(C)C Amb25087800 [1,1,0,0,0,0|1,0,0]=3 5315 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [1,1,0,0,0,0|2,0,0]=4 5316 B7R0.16 CC(=O)C(S)C(C)C Amb28254219 [1,1,0,0,0,0|1,0,0]=3 5317 B7R0.16 CC(=O)N(C)C(C)C Amb28435200 [1,1,0,0,0,0|2,0,0]=4 5318 B7R0.16 CC(=O)N(N)C(C)C Amb18641904 [1,1,0,0,0,0|2,0,0]=4 5319 B7R0.16 CC(=O)[C@@H](C)[C@@H](C)Cl Amb28325873 [1,1,0,0,0,0|2,0,0]=4 5320 B7R0.16 CC(=O)[C@@H](C)[C@H](C)O Amb26966954 [1,1,0,0,0,0|2,0,0]=4 5321 B7R0.16 CC(=O)[C@@H](N)C(C)C Amb28410324 [1,1,0,0,0,0|1,0,0]=3 5322 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [1,1,0,0,0,0|2,0,0]=4 5323 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [1,1,0,0,0,0|2,0,0]=4 5324 B7R0.16 CC(=O)[C@H](C)C(C)C Amb24753185 [1,1,0,0,0,0|1,0,0]=3 5325 B7R0.16 CC(=O)[C@H](C)[C@H](C)O Amb28249967 [1,1,0,0,0,0|2,0,0]=4 5326 B7R0.16 CC(=O)[C@H](O)C(C)C Amb24379445 [1,1,0,0,0,0|1,0,0]=3 5327 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [1,1,0,0,0,0|2,0,0]=4 5328 B7R0.16 CC(=S)C(S)C(=O)O Amb27791825 [1,1,0,0,0,0|1,0,1]=4 5329 B7R0.16 CC(Br)C(=O)C(=O)O Amb23400913 [1,1,0,0,0,0|1,0,1]=4 5330 B7R0.16 CC(Br)C(Br)C(=O)Cl Amb27482606 [1,1,0,0,0,0|2,0,0]=4 5331 B7R0.16 CC(Br)C(Br)C(=O)O Amb4008645 [1,1,0,0,0,0|1,0,0]=3 5332 B7R0.16 CC(C(=O)O)N(C)C Amb21955631 [1,1,0,0,0,0|1,0,0]=3 5333 B7R0.16 CC(C(=O)O)N(C)C Amb6653762 [1,1,0,0,0,0|1,0,0]=3 5334 B7R0.16 CC(C(=O)O)N(C)N Amb22372039 [1,1,0,0,0,0|2,0,0]=4 5335 B7R0.16 CC(C(=O)[O-])[C@H](C)O Amb27835918 [1,1,0,0,0,0|1,0,1]=4 5336 B7R0.16 CC(C)=C(Br)C(=O)O Amb17594579 [1,1,0,0,0,0|0,0,2]=4 5337 B7R0.16 CC(C)=C(C)C(=O)O Amb17593186 [1,1,0,0,0,0|0,0,2]=4 5338 B7R0.16 CC(C)=C(Cl)C(=O)O Amb18642954 [1,1,0,0,0,0|0,0,2]=4 5339 B7R0.16 CC(C)=C(F)C(=O)O Amb20669103 [1,1,0,0,0,0|0,0,2]=4 5340 B7R0.16 CC(C)C(=N)C(=O)O Amb28073845 [1,1,0,0,0,0|0,0,1]=3 5341 B7R0.16 CC(C)C(=O)C(=O)Cl Amb27843357 [1,1,0,0,0,0|1,0,1]=4 5342 B7R0.16 CC(C)C(=O)C(=O)O Amb6600000 [1,1,0,0,0,0|0,0,1]=3 5343 B7R0.16 CC(C)C(=O)C(=O)[O-] Amb8393075 [1,1,0,0,0,0|0,0,2]=4 5344 B7R0.16 CC(C)C(=O)C(=O)[O-] Amb8513875 [1,1,0,0,0,0|0,0,2]=4 5345 B7R0.16 CC(C)C(=O)C(N)=O Amb28119959 [1,1,0,0,0,0|1,0,1]=4 5346 B7R0.16 CC(C)C(Br)C(=N)N Amb28285546 [1,1,0,0,0,0|2,0,0]=4 5347 B7R0.16 CC(C)C(Br)C(=O)Cl Amb17569838 [1,1,0,0,0,0|1,0,0]=3 5348 B7R0.16 CC(C)C(Br)C(=O)O Amb9703217 [1,1,0,0,0,0|0,0,0]=2 5349 B7R0.16 CC(C)C(Br)C(N)=O Amb9725771 [1,1,0,0,0,0|1,0,0]=3 5350 B7R0.16 CC(C)C(C)C(=O)Cl Amb27645335 [1,1,0,0,0,0|1,0,0]=3 5351 B7R0.16 CC(C)C(C)C(=O)O Amb17087469 [1,1,0,0,0,0|0,0,0]=2 5352 B7R0.16 CC(C)C(C)C(C)O Amb24640694 [1,1,0,0,0,0|1,0,1]=4 5353 B7R0.16 CC(C)C(C)C(N)=S Amb28400471 [1,1,0,0,0,0|1,1,0]=4 5354 B7R0.16 CC(C)C(C)S(=O)Cl Amb32720503 [1,1,0,0,0,0|2,0,0]=4 5355 B7R0.16 CC(C)C(C)S(=O)[O-] Amb25685559 [1,1,0,0,0,0|1,0,1]=4 5356 B7R0.16 CC(C)C(C)S(N)=O Amb32720504 [1,1,0,0,0,0|2,0,0]=4 5357 B7R0.16 CC(C)C(Cl)C(=O)Cl Amb24483174 [1,1,0,0,0,0|1,0,0]=3 5358 B7R0.16 CC(C)C(Cl)C(=O)O Amb6739911 [1,1,0,0,0,0|0,0,0]=2 5359 B7R0.16 CC(C)C(F)C(=N)N Amb32456108 [1,1,0,0,0,0|2,0,0]=4 5360 B7R0.16 CC(C)C(F)C(=O)O Amb19957386 [1,1,0,0,0,0|0,0,0]=2 5361 B7R0.16 CC(C)C(N)B(O)O Amb24482349 [1,1,0,0,0,0|1,0,1]=4 5362 B7R0.16 CC(C)C(N)C(=O)Cl Amb6740265 [1,1,0,0,0,0|1,0,0]=3 5363 B7R0.16 CC(C)C(N)C(=O)O Amb5718386 [1,1,0,0,0,0|0,0,0]=2 5364 B7R0.16 CC(C)C(N)C(C)O Amb18641932 [1,1,0,0,0,0|1,0,1]=4 5365 B7R0.16 CC(C)C(N)C(N)=O Amb19267095 [1,1,0,0,0,0|1,0,0]=3 5366 B7R0.16 CC(C)C(N)C(N)=O Amb32666402 [1,1,0,0,0,0|1,0,0]=3 5367 B7R0.16 CC(C)C(N)C(N)=O Amb6271181 [1,1,0,0,0,0|1,0,0]=3 5368 B7R0.16 CC(C)C(N)C(N)=S Amb19148044 [1,1,0,0,0,0|1,1,0]=4 5369 B7R0.16 CC(C)C(O)C(=O)Cl Amb27213311 [1,1,0,0,0,0|1,0,0]=3 5370 B7R0.16 CC(C)C(O)C(=O)O Amb2582547 [1,1,0,0,0,0|0,0,0]=2 5371 B7R0.16 CC(C)C(O)C(C)O Amb27251557 [1,1,0,0,0,0|1,0,1]=4 5372 B7R0.16 CC(C)C(O)[PH](=O)O Amb27430184 [1,1,0,0,0,0|1,0,0]=3 5373 B7R0.16 CC(C)C(S)C(=O)O Amb18282761 [1,1,0,0,0,0|0,0,0]=2 5374 B7R0.16 CC(C)N(C)C(=O)Cl Amb25807313 [1,1,0,0,0,0|2,0,0]=4 5375 B7R0.16 CC(C)N(O)C(N)=O Amb18202545 [1,1,0,0,0,0|2,0,0]=4 5376 B7R0.16 CC(C)[C@@H](Br)C(=O)O Amb8629113 [1,1,0,0,0,0|0,0,0]=2 5377 B7R0.16 CC(C)[C@@H](C)C(=O)O Amb10844600 [1,1,0,0,0,0|0,0,0]=2 5378 B7R0.16 CC(C)[C@@H](C)C(N)=O Amb27838382 [1,1,0,0,0,0|1,0,0]=3 5379 B7R0.16 CC(C)[C@@H](C)[C@@H](C)O Amb27801928 [1,1,0,0,0,0|1,0,1]=4 5380 B7R0.16 CC(C)[C@@H](Cl)C(=O)Cl Amb32658177 [1,1,0,0,0,0|1,0,0]=3 5381 B7R0.16 CC(C)[C@@H](Cl)[C@@H](C)O Amb27433932 [1,1,0,0,0,0|1,0,1]=4 5382 B7R0.16 CC(C)[C@@H](N)C(=O)O Amb2720566 [1,1,0,0,0,0|0,0,0]=2 5383 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb22169898 [1,1,0,0,0,0|1,0,0]=3 5384 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb25132118 [1,1,0,0,0,0|1,0,0]=3 5385 B7R0.16 CC(C)[C@@H](N)C(N)=O Amb4013551 [1,1,0,0,0,0|1,0,0]=3 5386 B7R0.16 CC(C)[C@@H](O)C(=O)O Amb10071589 [1,1,0,0,0,0|0,0,0]=2 5387 B7R0.16 CC(C)[C@@H](O)C(N)=O Amb27879443 [1,1,0,0,0,0|1,0,0]=3 5388 B7R0.16 CC(C)[C@H](Br)C(=O)O Amb8629114 [1,1,0,0,0,0|0,0,0]=2 5389 B7R0.16 CC(C)[C@H](C)B(O)O Amb27604530 [1,1,0,0,0,0|1,0,1]=4 5390 B7R0.16 CC(C)[C@H](C)C(=O)O Amb10844601 [1,1,0,0,0,0|0,0,0]=2 5391 B7R0.16 CC(C)[C@H](C)C(N)=O Amb28345619 [1,1,0,0,0,0|1,0,0]=3 5392 B7R0.16 CC(C)[C@H](Cl)C(=O)Cl Amb27407011 [1,1,0,0,0,0|1,0,0]=3 5393 B7R0.16 CC(C)[C@H](N)C(=O)O Amb2725465 [1,1,0,0,0,0|0,0,0]=2 5394 B7R0.16 CC(C)[C@H](N)C(C)O Amb35623965 [1,1,0,0,0,0|1,0,1]=4 5395 B7R0.16 CC(C)[C@H](N)C(N)=O Amb16183986 [1,1,0,0,0,0|1,0,0]=3 5396 B7R0.16 CC(C)[C@H](N)C(N)=O Amb16231400 [1,1,0,0,0,0|1,0,0]=3 5397 B7R0.16 CC(C)[C@H](N)C(N)=O Amb30595108 [1,1,0,0,0,0|1,0,0]=3 5398 B7R0.16 CC(C)[C@H](N)[C@H](C)O Amb27167748 [1,1,0,0,0,0|1,0,1]=4 5399 B7R0.16 CC(C)[C@H](N)[PH](=O)O Amb27814729 [1,1,0,0,0,0|1,0,0]=3 5400 B7R0.16 CC(C)[C@H](O)C(=O)O Amb2694861 [1,1,0,0,0,0|0,0,0]=2 5401 B7R0.16 CC(Cl)C(C)C(=O)O Amb28325096 [1,1,0,0,0,0|1,0,0]=3 5402 B7R0.16 CC(Cl)C(Cl)C(=O)Cl Amb27634873 [1,1,0,0,0,0|2,0,0]=4 5403 B7R0.16 CC(Cl)C(Cl)C(=O)O Amb28396619 [1,1,0,0,0,0|1,0,0]=3 5404 B7R0.16 CC(F)C(=O)C(=O)O Amb27246511 [1,1,0,0,0,0|1,0,1]=4 5405 B7R0.16 CC(F)C(N)C(=O)O Amb10838661 [1,1,0,0,0,0|1,0,0]=3 5406 B7R0.16 CC(F)C(N)C(=O)O Amb32752736 [1,1,0,0,0,0|1,0,0]=3 5407 B7R0.16 CC(F)C(N)C(N)=O Amb28250824 [1,1,0,0,0,0|2,0,0]=4 5408 B7R0.16 CC(F)[C@@H](N)C(=O)O Amb28316197 [1,1,0,0,0,0|1,0,0]=3 5409 B7R0.16 CC(N)C(C)C(=O)O Amb18124261 [1,1,0,0,0,0|1,0,0]=3 5410 B7R0.16 CC(N)C(C)C(=O)O Amb28934866 [1,1,0,0,0,0|1,0,0]=3 5411 B7R0.16 CC(N)C(C)C(N)=O Amb27172764 [1,1,0,0,0,0|2,0,0]=4 5412 B7R0.16 CC(N)C(F)C(=O)O Amb27411861 [1,1,0,0,0,0|1,0,0]=3 5413 B7R0.16 CC(N)C(N)C(=O)O Amb22728051 [1,1,0,0,0,0|1,0,0]=3 5414 B7R0.16 CC(N)C(O)C(=O)O Amb18641970 [1,1,0,0,0,0|1,0,0]=3 5415 B7R0.16 CC(N)C(O)C(=O)O Amb33299223 [1,1,0,0,0,0|1,0,0]=3 5416 B7R0.16 CC(N)C(O)C(N)=O Amb27483181 [1,1,0,0,0,0|2,0,0]=4 5417 B7R0.16 CC(N)[C@H](N)C(=O)O Amb25083113 [1,1,0,0,0,0|1,0,0]=3 5418 B7R0.16 CC(N)[C@H](N)C(=O)O Amb33740158 [1,1,0,0,0,0|1,0,0]=3 5419 B7R0.16 CC(O)C(=O)C(=O)O Amb24481396 [1,1,0,0,0,0|1,0,1]=4 5420 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [1,1,0,0,0,0|1,0,0]=3 5421 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [1,1,0,0,0,0|1,0,0]=3 5422 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [1,1,0,0,0,0|1,0,0]=3 5423 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [1,1,0,0,0,0|1,0,0]=3 5424 B7R0.16 CC(O)C(N)C(=O)Cl Amb27830226 [1,1,0,0,0,0|2,0,0]=4 5425 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [1,1,0,0,0,0|1,0,0]=3 5426 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [1,1,0,0,0,0|1,0,0]=3 5427 B7R0.16 CC(O)C(N)C(N)=O Amb18641954 [1,1,0,0,0,0|2,0,0]=4 5428 B7R0.16 CC(O)C(N)C(N)=O Amb4006836 [1,1,0,0,0,0|2,0,0]=4 5429 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [1,1,0,0,0,0|1,0,0]=3 5430 B7R0.16 CC(O)[C@H](N)C(N)=O Amb27643319 [1,1,0,0,0,0|2,0,0]=4 5431 B7R0.16 CC(S)C(=O)C(=O)O Amb28128312 [1,1,0,0,0,0|1,0,1]=4 5432 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [1,1,0,0,0,0|1,0,0]=3 5433 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [1,1,0,0,0,0|1,0,0]=3 5434 B7R0.16 CN(C)C(=N)C(=O)O Amb18641880 [1,1,0,0,0,0|1,0,1]=4 5435 B7R0.16 CN(C)C(=O)C(=O)O Amb2691325 [1,1,0,0,0,0|1,0,1]=4 5436 B7R0.16 CN(C)C(O)C(=O)O Amb28399618 [1,1,0,0,0,0|1,0,0]=3 5437 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb22587534 [1,1,0,0,0,0|1,0,0]=3 5438 B7R0.16 C[C@@H](C(=O)O)N(C)C Amb28934882 [1,1,0,0,0,0|1,0,0]=3 5439 B7R0.16 C[C@@H](Cl)[C@@H](Cl)C(=O)O Amb28343001 [1,1,0,0,0,0|1,0,0]=3 5440 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(=O)O Amb28283911 [1,1,0,0,0,0|1,0,0]=3 5441 B7R0.16 C[C@@H](Cl)[C@H](Cl)C(N)=O Amb27607679 [1,1,0,0,0,0|2,0,0]=4 5442 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb28286576 [1,1,0,0,0,0|1,0,0]=3 5443 B7R0.16 C[C@@H](F)[C@@H](N)C(=O)O Amb32668519 [1,1,0,0,0,0|1,0,0]=3 5444 B7R0.16 C[C@@H](N)[C@@H](C)C(=O)O Amb25679842 [1,1,0,0,0,0|1,0,0]=3 5445 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb22745441 [1,1,0,0,0,0|1,0,0]=3 5446 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O Amb24481409 [1,1,0,0,0,0|1,0,0]=3 5447 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [1,1,0,0,0,0|1,0,0]=3 5448 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [1,1,0,0,0,0|1,0,0]=3 5449 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [1,1,0,0,0,0|1,0,0]=3 5450 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [1,1,0,0,0,0|1,0,0]=3 5451 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [1,1,0,0,0,0|1,0,0]=3 5452 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [1,1,0,0,0,0|1,0,0]=3 5453 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [1,1,0,0,0,0|1,0,0]=3 5454 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [1,1,0,0,0,0|1,0,0]=3 5455 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O Amb17942942 [1,1,0,0,0,0|2,0,0]=4 5456 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [1,1,0,0,0,0|1,0,0]=3 5457 B7R0.16 C[C@H](C(=O)O)N(C)C Amb22586633 [1,1,0,0,0,0|1,0,0]=3 5458 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [1,1,0,0,0,0|1,0,0]=3 5459 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)Cl Amb28384464 [1,1,0,0,0,0|2,0,0]=4 5460 B7R0.16 C[C@H](Cl)[C@H](Cl)C(=O)O Amb27955873 [1,1,0,0,0,0|1,0,0]=3 5461 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O Amb26887656 [1,1,0,0,0,0|1,0,0]=3 5462 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O Amb27751951 [1,1,0,0,0,0|1,0,0]=3 5463 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb17678797 [1,1,0,0,0,0|1,0,0]=3 5464 B7R0.16 C[C@H](N)[C@H](N)C(=O)O Amb26887696 [1,1,0,0,0,0|1,0,0]=3 5465 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [1,1,0,0,0,0|1,0,0]=3 5466 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [1,1,0,0,0,0|1,0,0]=3 5467 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [1,1,0,0,0,0|1,0,0]=3 5468 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [1,1,0,0,0,0|1,0,0]=3 5469 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [1,1,0,0,0,0|1,0,0]=3 5470 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [1,1,0,0,0,0|1,0,0]=3 5471 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [1,1,0,0,0,0|1,0,0]=3 5472 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [1,1,0,0,0,0|1,0,0]=3 5473 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [1,1,0,0,0,0|1,0,0]=3 5474 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [1,1,0,0,0,0|1,0,0]=3 5475 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [1,1,0,0,0,0|2,0,0]=4 5476 B7R0.16 NC(C(=O)O)C(F)F Amb24713127 [1,1,0,0,0,0|2,0,0]=4 5477 B7R0.16 NC(C(=O)O)C(F)F Amb32644474 [1,1,0,0,0,0|2,0,0]=4 5478 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [1,1,0,0,0,0|2,0,0]=4 5479 B7R0.16 O=C(O)C(F)C(Cl)Cl Amb4015382 [1,1,0,0,0,0|2,0,0]=4 5480 B7R0.16 O=C(O)C(F)C(F)F Amb27481077 [1,1,0,0,0,0|2,0,0]=4 5481 B7R0.16 O=C(O)C(O)C(Cl)Cl Amb27212773 [1,1,0,0,0,0|2,0,0]=4 5482 B7R0.16 O=C(O)C(O)C(F)F Amb25074883 [1,1,0,0,0,0|2,0,0]=4 5483 B7R0.4 C#CCCCC(=O)Cl Amb2688725 [1,1,0,0,0,0|1,0,1]=4 5484 B7R0.4 C#CCCCC(=O)O Amb2721705 [1,1,0,0,0,0|0,0,1]=3 5485 B7R0.4 C#CCCCC(C)=O Amb18115312 [1,1,0,0,0,0|1,0,1]=4 5486 B7R0.4 C#CCCCC(N)=O Amb27590599 [1,1,0,0,0,0|1,0,1]=4 5487 B7R0.4 C#CCNCC(=O)O Amb33551387 [1,1,0,0,0,0|0,0,2]=4 5488 B7R0.4 C#CCNCC(=O)O Amb6740302 [1,1,0,0,0,0|0,0,2]=4 5489 B7R0.4 C#CCOCC(=O)O Amb9208655 [1,1,0,0,0,0|0,0,2]=4 5490 B7R0.4 C#CCSCC(=O)O Amb2372297 [1,1,0,0,0,0|0,0,2]=4 5491 B7R0.4 C=C(Br)CCCCBr Amb4035450 [1,1,0,0,0,0|2,0,0]=4 5492 B7R0.4 C=C(C)CCCCC Amb6298938 [1,1,0,0,0,0|2,0,0]=4 5493 B7R0.4 C=C(C)CCCCO Amb26872404 [1,1,0,0,0,0|2,0,0]=4 5494 B7R0.4 C=C(C)CNCCC Amb17308631 [1,1,0,0,0,0|2,0,0]=4 5495 B7R0.4 C=C(C)CSCCC Amb27449649 [1,1,0,0,0,0|2,0,0]=4 5496 B7R0.4 C=C(Cl)CNCCC Amb19004838 [1,1,0,0,0,0|2,0,0]=4 5497 B7R0.4 C=C(F)CCCCO Amb22641473 [1,1,0,0,0,0|2,0,0]=4 5498 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [1,1,0,0,0,0|1,0,1]=4 5499 B7R0.4 C=CCCCC(=O)O Amb3941675 [1,1,0,0,0,0|0,0,1]=3 5500 B7R0.4 C=CCCCC(C)=O Amb17593171 [1,1,0,0,0,0|1,0,1]=4 5501 B7R0.4 C=CCNCC(=O)O Amb7766404 [1,1,0,0,0,0|0,0,2]=4 5502 B7R0.4 C=CCNCC(=O)O Amb8631497 [1,1,0,0,0,0|0,0,2]=4 5503 B7R0.4 C=CCOCC(=O)O Amb9208694 [1,1,0,0,0,0|0,0,2]=4 5504 B7R0.4 C=CCSCC(=O)O Amb33526723 [1,1,0,0,0,0|0,0,2]=4 5505 B7R0.4 C=CNCCC(=O)O Amb27429817 [1,1,0,0,0,0|0,0,2]=4 5506 B7R0.4 C=COCCC(=O)O Amb28350126 [1,1,0,0,0,0|0,0,2]=4 5507 B7R0.4 CC#CCCC(=O)O Amb3987196 [1,1,0,0,0,0|0,0,1]=3 5508 B7R0.4 CC(=O)CCCC#N Amb17106756 [1,1,0,0,0,0|1,0,1]=4 5509 B7R0.4 CC(=O)CCCCBr Amb16234126 [1,1,0,0,0,0|1,0,0]=3 5510 B7R0.4 CC(=O)CCCCCl Amb3941549 [1,1,0,0,0,0|1,0,0]=3 5511 B7R0.4 CC(=O)CCCCF Amb27490855 [1,1,0,0,0,0|1,0,0]=3 5512 B7R0.4 CC(=O)CCCCN Amb27401218 [1,1,0,0,0,0|1,0,0]=3 5513 B7R0.4 CC(=O)CCCCO Amb10603864 [1,1,0,0,0,0|1,0,0]=3 5514 B7R0.4 CC(=O)COCCCl Amb25346574 [1,1,0,0,0,0|2,0,0]=4 5515 B7R0.4 CC(=O)COCCF Amb27463527 [1,1,0,0,0,0|2,0,0]=4 5516 B7R0.4 CC(=O)COCCO Amb28122841 [1,1,0,0,0,0|2,0,0]=4 5517 B7R0.4 CC(=O)CSCCF Amb24621173 [1,1,0,0,0,0|2,0,0]=4 5518 B7R0.4 CC(=O)CSCCN Amb17500454 [1,1,0,0,0,0|2,0,0]=4 5519 B7R0.4 CC(=O)CSCCO Amb4165952 [1,1,0,0,0,0|2,0,0]=4 5520 B7R0.4 CC(=O)NCCCBr Amb8826231 [1,1,0,0,0,0|2,0,0]=4 5521 B7R0.4 CC(=O)NCCCCl Amb3886559 [1,1,0,0,0,0|2,0,0]=4 5522 B7R0.4 CC(=O)NCCCN Amb10610286 [1,1,0,0,0,0|2,0,0]=4 5523 B7R0.4 CC(=O)NCCCN Amb6664982 [1,1,0,0,0,0|2,0,0]=4 5524 B7R0.4 CC(=O)NCCCO Amb3429354 [1,1,0,0,0,0|2,0,0]=4 5525 B7R0.4 CC(=O)OCCCBr Amb26515737 [1,1,0,0,0,0|2,0,0]=4 5526 B7R0.4 CC(=O)OCCCCl Amb3940269 [1,1,0,0,0,0|2,0,0]=4 5527 B7R0.4 CC(=O)OCCCO Amb25854267 [1,1,0,0,0,0|2,0,0]=4 5528 B7R0.4 CC(=O)OCCCS Amb4018773 [1,1,0,0,0,0|2,0,0]=4 5529 B7R0.4 CC(=O)SCCCBr Amb17610077 [1,1,0,0,0,0|2,0,0]=4 5530 B7R0.4 CC(=O)SCCCCl Amb3940270 [1,1,0,0,0,0|2,0,0]=4 5531 B7R0.4 CC(O)CCCCF Amb27486303 [1,1,0,0,0,0|1,0,1]=4 5532 B7R0.4 CC(O)CCCCN Amb17569903 [1,1,0,0,0,0|1,0,1]=4 5533 B7R0.4 CC(O)CCCCO Amb22227757 [1,1,0,0,0,0|1,0,1]=4 5534 B7R0.4 CC(O)CCCC[SiH3] Amb28322353 [1,1,0,0,0,0|1,0,1]=4 5535 B7R0.4 CCC#CCC(=O)O Amb26515701 [1,1,0,0,0,0|0,0,1]=3 5536 B7R0.4 CCC#CCC(C)=O Amb28040888 [1,1,0,0,0,0|1,0,1]=4 5537 B7R0.4 CCCC#CC(=O)O Amb2721706 [1,1,0,0,0,0|0,0,1]=3 5538 B7R0.4 CCCC#CC(C)=O Amb26844271 [1,1,0,0,0,0|1,0,1]=4 5539 B7R0.4 CCCC#CC(N)=O Amb27175227 [1,1,0,0,0,0|1,0,1]=4 5540 B7R0.4 CCCCC=C(C)C Amb22228888 [1,1,0,0,0,0|2,0,0]=4 5541 B7R0.4 CCCCCB(O)O Amb2447470 [1,1,0,0,0,0|1,0,1]=4 5542 B7R0.4 CCCCCC(=N)N Amb19890171 [1,1,0,0,0,0|2,0,0]=4 5543 B7R0.4 CCCCCC(=N)N Amb2696574 [1,1,0,0,0,0|2,0,0]=4 5544 B7R0.4 CCCCCC(=N)N Amb35747068 [1,1,0,0,0,0|2,0,0]=4 5545 B7R0.4 CCCCCC(=O)F Amb26061517 [1,1,0,0,0,0|1,0,0]=3 5546 B7R0.4 CCCCCC(=O)O Amb3939846 [1,1,0,0,0,0|0,0,0]=2 5547 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [1,1,0,0,0,0|0,0,1]=3 5548 B7R0.4 CCCCCC(C)=O Amb6608885 [1,1,0,0,0,0|1,0,0]=3 5549 B7R0.4 CCCCCC(C)O Amb8383668 [1,1,0,0,0,0|1,0,1]=4 5550 B7R0.4 CCCCCC(N)=S Amb6246072 [1,1,0,0,0,0|1,1,0]=4 5551 B7R0.4 CCCCCC(O)Cl Amb27232933 [1,1,0,0,0,0|1,0,1]=4 5552 B7R0.4 CCCCCC(O)O Amb25921998 [1,1,0,0,0,0|0,0,2]=4 5553 B7R0.4 CCCCCN(C)O Amb33428427 [1,1,0,0,0,0|2,0,0]=4 5554 B7R0.4 CCCCCS(=O)Cl Amb32720370 [1,1,0,0,0,0|2,0,0]=4 5555 B7R0.4 CCCCCS(=O)[O-] Amb32754032 [1,1,0,0,0,0|1,0,1]=4 5556 B7R0.4 CCCCCS(C)=O Amb27457494 [1,1,0,0,0,0|2,0,0]=4 5557 B7R0.4 CCCCCS(N)=O Amb32720371 [1,1,0,0,0,0|2,0,0]=4 5558 B7R0.4 CCCCC[C@@H](C)O Amb20242420 [1,1,0,0,0,0|1,0,1]=4 5559 B7R0.4 CCCCC[C@H](C)O Amb8395591 [1,1,0,0,0,0|1,0,1]=4 5560 B7R0.4 CCCCC[N+](=O)[O-] Amb22227991 [1,1,0,0,0,0|1,0,1]=4 5561 B7R0.4 CCCCNC(=N)N Amb19748357 [1,1,0,0,0,0|2,0,0]=4 5562 B7R0.4 CCCCNC(=N)N Amb32653258 [1,1,0,0,0,0|2,0,0]=4 5563 B7R0.4 CCCCNC(=O)Cl Amb24574309 [1,1,0,0,0,0|1,0,0]=3 5564 B7R0.4 CCCCNC(C)=N Amb27663050 [1,1,0,0,0,0|2,0,0]=4 5565 B7R0.4 CCCCNC(C)=O Amb5835711 [1,1,0,0,0,0|1,0,0]=3 5566 B7R0.4 CCCCNC(N)=O Amb6663202 [1,1,0,0,0,0|1,0,0]=3 5567 B7R0.4 CCCCNC(N)=S Amb1152044 [1,1,0,0,0,0|1,1,0]=4 5568 B7R0.4 CCCCOB(O)O Amb25687500 [1,1,0,0,0,0|1,0,1]=4 5569 B7R0.4 CCCCOC(=O)Cl Amb6608833 [1,1,0,0,0,0|1,0,0]=3 5570 B7R0.4 CCCCOC(=S)[S-] Amb16186572 [1,1,0,0,0,0|0,2,0]=4 5571 B7R0.4 CCCCOC(C)=O Amb6608782 [1,1,0,0,0,0|1,0,0]=3 5572 B7R0.4 CCCCOC(C)O Amb26537694 [1,1,0,0,0,0|1,0,1]=4 5573 B7R0.4 CCCCOC(N)=O Amb4136361 [1,1,0,0,0,0|1,0,0]=3 5574 B7R0.4 CCCCO[PH](=O)O Amb26035392 [1,1,0,0,0,0|1,0,0]=3 5575 B7R0.4 CCCCSC(=N)N Amb10552525 [1,1,0,0,0,0|2,0,0]=4 5576 B7R0.4 CCCCSC(=N)N Amb4007584 [1,1,0,0,0,0|2,0,0]=4 5577 B7R0.4 CCCCSC(=O)Cl Amb22352826 [1,1,0,0,0,0|1,0,0]=3 5578 B7R0.4 CCCCSC(C)O Amb27191967 [1,1,0,0,0,0|1,0,1]=4 5579 B7R0.4 CCCNCC(=O)O Amb10609640 [1,1,0,0,0,0|0,0,0]=2 5580 B7R0.4 CCCNCC(=O)O Amb1110628 [1,1,0,0,0,0|0,0,0]=2 5581 B7R0.4 CCCNCC(C)=O Amb26954588 [1,1,0,0,0,0|1,0,0]=3 5582 B7R0.4 CCCNCC(C)O Amb9359420 [1,1,0,0,0,0|1,0,1]=4 5583 B7R0.4 CCCNCC(N)=O Amb1124632 [1,1,0,0,0,0|1,0,0]=3 5584 B7R0.4 CCCNCC(N)=O Amb28934788 [1,1,0,0,0,0|1,0,0]=3 5585 B7R0.4 CCCNNC(N)=O Amb27405031 [1,1,0,0,0,0|2,0,0]=4 5586 B7R0.4 CCCOCB(O)O Amb27461328 [1,1,0,0,0,0|1,0,1]=4 5587 B7R0.4 CCCOCC(=O)Cl Amb27260778 [1,1,0,0,0,0|1,0,0]=3 5588 B7R0.4 CCCOCC(=O)O Amb8874504 [1,1,0,0,0,0|0,0,0]=2 5589 B7R0.4 CCCOCC(N)=O Amb27844884 [1,1,0,0,0,0|1,0,0]=3 5590 B7R0.4 CCCOCC(N)=S Amb8874828 [1,1,0,0,0,0|1,1,0]=4 5591 B7R0.4 CCCOC[C@@H](C)O Amb28048955 [1,1,0,0,0,0|1,0,1]=4 5592 B7R0.4 CCCONC(C)=O Amb27764366 [1,1,0,0,0,0|2,0,0]=4 5593 B7R0.4 CCCONC(N)=O Amb2899788 [1,1,0,0,0,0|2,0,0]=4 5594 B7R0.4 CCCSCC(=O)O Amb1137113 [1,1,0,0,0,0|0,0,0]=2 5595 B7R0.4 CCCSCC(C)=O Amb9668676 [1,1,0,0,0,0|1,0,0]=3 5596 B7R0.4 CCCSCC(C)O Amb27463818 [1,1,0,0,0,0|1,0,1]=4 5597 B7R0.4 CCCSCC(N)=O Amb27424658 [1,1,0,0,0,0|1,0,0]=3 5598 B7R0.4 CCCSC[C@@H](C)O Amb27641885 [1,1,0,0,0,0|1,0,1]=4 5599 B7R0.4 CCC\C=C/C(C)=O Amb17593161 [1,1,0,0,0,0|1,0,1]=4 5600 B7R0.4 CCC\C=C\C(=O)Cl Amb2688716 [1,1,0,0,0,0|1,0,1]=4 5601 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [1,1,0,0,0,0|0,0,1]=3 5602 B7R0.4 CCC\C=C\C(C)=O Amb20240563 [1,1,0,0,0,0|1,0,1]=4 5603 B7R0.4 CCC\C=C\C(N)=O Amb26397290 [1,1,0,0,0,0|1,0,1]=4 5604 B7R0.4 CCNCCC(=O)O Amb28934794 [1,1,0,0,0,0|0,0,0]=2 5605 B7R0.4 CCNCCC(=O)O Amb7766402 [1,1,0,0,0,0|0,0,0]=2 5606 B7R0.4 CCNCCC(C)=O Amb18641851 [1,1,0,0,0,0|1,0,0]=3 5607 B7R0.4 CCNCCC(C)O Amb27239293 [1,1,0,0,0,0|1,0,1]=4 5608 B7R0.4 CCNCCC(N)=O Amb33533384 [1,1,0,0,0,0|1,0,0]=3 5609 B7R0.4 CCNCCC(N)=O Amb35749820 [1,1,0,0,0,0|1,0,0]=3 5610 B7R0.4 CCNCCC(N)=S Amb17231882 [1,1,0,0,0,0|1,1,0]=4 5611 B7R0.4 CCNNCC(=O)O Amb28326075 [1,1,0,0,0,0|1,0,0]=3 5612 B7R0.4 CCOCCC(=N)N Amb2696677 [1,1,0,0,0,0|2,0,0]=4 5613 B7R0.4 CCOCCC(=N)N Amb33551393 [1,1,0,0,0,0|2,0,0]=4 5614 B7R0.4 CCOCCC(=O)Cl Amb20672027 [1,1,0,0,0,0|1,0,0]=3 5615 B7R0.4 CCOCCC(=O)O Amb3939859 [1,1,0,0,0,0|0,0,0]=2 5616 B7R0.4 CCOCCC(C)=O Amb7764636 [1,1,0,0,0,0|1,0,0]=3 5617 B7R0.4 CCOCCC(C)O Amb27852957 [1,1,0,0,0,0|1,0,1]=4 5618 B7R0.4 CCOCCC(N)=S Amb6263797 [1,1,0,0,0,0|1,1,0]=4 5619 B7R0.4 CCOCCS(=O)Cl Amb24625733 [1,1,0,0,0,0|2,0,0]=4 5620 B7R0.4 CCOCCS(=O)[O-] Amb26001359 [1,1,0,0,0,0|1,0,1]=4 5621 B7R0.4 CCOCCS(N)=O Amb32720346 [1,1,0,0,0,0|2,0,0]=4 5622 B7R0.4 CCOCC[C@H](C)O Amb27946039 [1,1,0,0,0,0|1,0,1]=4 5623 B7R0.4 CCOCNC(N)=O Amb25765493 [1,1,0,0,0,0|2,0,0]=4 5624 B7R0.4 CCOCOC(=O)Cl Amb27623794 [1,1,0,0,0,0|2,0,0]=4 5625 B7R0.4 CCO\C=C\C(=O)O Amb2725260 [1,1,0,0,0,0|0,0,2]=4 5626 B7R0.4 CCO\N=C\C(=O)O Amb27468748 [1,1,0,0,0,0|1,0,1]=4 5627 B7R0.4 CCSCCC(=N)N Amb6680836 [1,1,0,0,0,0|2,0,0]=4 5628 B7R0.4 CCSCCC(=O)O Amb6273140 [1,1,0,0,0,0|0,0,0]=2 5629 B7R0.4 CCSCCC(C)=O Amb9655821 [1,1,0,0,0,0|1,0,0]=3 5630 B7R0.4 CCSCCC(C)O Amb28048927 [1,1,0,0,0,0|1,0,1]=4 5631 B7R0.4 CCSCCC(N)=O Amb27258252 [1,1,0,0,0,0|1,0,0]=3 5632 B7R0.4 CCSCCC(N)=S Amb17307560 [1,1,0,0,0,0|1,1,0]=4 5633 B7R0.4 CCSCCN(C)O Amb33324043 [1,1,0,0,0,0|2,0,0]=4 5634 B7R0.4 CCSCC[C@@H](C)O Amb33223925 [1,1,0,0,0,0|1,0,1]=4 5635 B7R0.4 CCSCC[C@H](C)O Amb33323733 [1,1,0,0,0,0|1,0,1]=4 5636 B7R0.4 CCSCC[N+](=O)[O-] Amb27838043 [1,1,0,0,0,0|1,0,1]=4 5637 B7R0.4 CCSSCC(C)=O Amb28316151 [1,1,0,0,0,0|2,0,0]=4 5638 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [1,1,0,0,0,0|0,0,1]=3 5639 B7R0.4 CC\C=C/CC(C)=O Amb27974504 [1,1,0,0,0,0|1,0,1]=4 5640 B7R0.4 CC\C=C\CC(=O)Cl Amb27228151 [1,1,0,0,0,0|1,0,1]=4 5641 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [1,1,0,0,0,0|0,0,1]=3 5642 B7R0.4 CC\C=C\CC(C)=O Amb25953857 [1,1,0,0,0,0|1,0,1]=4 5643 B7R0.4 CC\C=C\C[PH](=O)O Amb8391288 [1,1,0,0,0,0|1,0,1]=4 5644 B7R0.4 CNCC#CC(=O)O Amb27218273 [1,1,0,0,0,0|0,0,2]=4 5645 B7R0.4 CNCCCC(=O)O Amb1153115 [1,1,0,0,0,0|0,0,0]=2 5646 B7R0.4 CNCCCC(=O)O Amb4521435 [1,1,0,0,0,0|0,0,0]=2 5647 B7R0.4 CNCCCC(C)=O Amb27838406 [1,1,0,0,0,0|1,0,0]=3 5648 B7R0.4 CNCCCC(C)O Amb17569899 [1,1,0,0,0,0|1,0,1]=4 5649 B7R0.4 CNCCCC(N)=O Amb18303611 [1,1,0,0,0,0|1,0,0]=3 5650 B7R0.4 CNCCCC(N)=O Amb31307731 [1,1,0,0,0,0|1,0,0]=3 5651 B7R0.4 CNCCCS(C)=O Amb27827686 [1,1,0,0,0,0|2,0,0]=4 5652 B7R0.4 CNCCC[C@@H](C)O Amb27784601 [1,1,0,0,0,0|1,0,1]=4 5653 B7R0.4 CNCCNC(C)=O Amb28934797 [1,1,0,0,0,0|2,0,0]=4 5654 B7R0.4 CNCCNC(C)=O Amb9256137 [1,1,0,0,0,0|2,0,0]=4 5655 B7R0.4 CNCCNC(N)=O Amb18299975 [1,1,0,0,0,0|2,0,0]=4 5656 B7R0.4 CNCCOC(C)=O Amb18124262 [1,1,0,0,0,0|2,0,0]=4 5657 B7R0.4 CNCCOC(C)=O Amb33621071 [1,1,0,0,0,0|2,0,0]=4 5658 B7R0.4 CNCCOC(N)=O Amb25136928 [1,1,0,0,0,0|2,0,0]=4 5659 B7R0.4 CNCCOC(N)=O Amb32693459 [1,1,0,0,0,0|2,0,0]=4 5660 B7R0.4 CNC\C=C\C(=O)O Amb25368293 [1,1,0,0,0,0|0,0,2]=4 5661 B7R0.4 COCC#CC(=O)O Amb33544473 [1,1,0,0,0,0|0,0,2]=4 5662 B7R0.4 COCCCB(O)O Amb27754195 [1,1,0,0,0,0|1,0,1]=4 5663 B7R0.4 COCCCC(=N)N Amb19269156 [1,1,0,0,0,0|2,0,0]=4 5664 B7R0.4 COCCCC(=N)N Amb6266770 [1,1,0,0,0,0|2,0,0]=4 5665 B7R0.4 COCCCC(=O)O Amb6275629 [1,1,0,0,0,0|0,0,0]=2 5666 B7R0.4 COCCCC(C)=O Amb9031556 [1,1,0,0,0,0|1,0,0]=3 5667 B7R0.4 COCCCC(C)O Amb4020863 [1,1,0,0,0,0|1,0,1]=4 5668 B7R0.4 COCCCC(N)=S Amb6270649 [1,1,0,0,0,0|1,1,0]=4 5669 B7R0.4 COCCCN(C)O Amb33377831 [1,1,0,0,0,0|2,0,0]=4 5670 B7R0.4 COCCCS(=O)Cl Amb26013061 [1,1,0,0,0,0|2,0,0]=4 5671 B7R0.4 COCCCS(=O)[O-] Amb27974844 [1,1,0,0,0,0|1,0,1]=4 5672 B7R0.4 COCCCS(N)=O Amb32720360 [1,1,0,0,0,0|2,0,0]=4 5673 B7R0.4 COCCC[C@@H](C)O Amb33428680 [1,1,0,0,0,0|1,0,1]=4 5674 B7R0.4 COCCC[C@H](C)O Amb27396064 [1,1,0,0,0,0|1,0,1]=4 5675 B7R0.4 COCCC[N+](=O)[O-] Amb33428678 [1,1,0,0,0,0|1,0,1]=4 5676 B7R0.4 COCCNC(C)=O Amb3358082 [1,1,0,0,0,0|2,0,0]=4 5677 B7R0.4 COCCNC(N)=O Amb1104938 [1,1,0,0,0,0|2,0,0]=4 5678 B7R0.4 COCCOC(=O)Cl Amb2689125 [1,1,0,0,0,0|2,0,0]=4 5679 B7R0.4 COCCOC(C)=O Amb4037074 [1,1,0,0,0,0|2,0,0]=4 5680 B7R0.4 COCCOC(N)=O Amb25054225 [1,1,0,0,0,0|2,0,0]=4 5681 B7R0.4 COCOCC(=O)O Amb28059312 [1,1,0,0,0,0|1,0,0]=3 5682 B7R0.4 COCSCC(=O)O Amb27466837 [1,1,0,0,0,0|1,0,0]=3 5683 B7R0.4 COC\C=C\C(=O)O Amb33986212 [1,1,0,0,0,0|0,0,2]=4 5684 B7R0.4 CS(=O)CCCCBr Amb27874454 [1,1,0,0,0,0|2,0,0]=4 5685 B7R0.4 CS(=O)CCCCCl Amb27253421 [1,1,0,0,0,0|2,0,0]=4 5686 B7R0.4 CS(=O)CCCCN Amb17617794 [1,1,0,0,0,0|2,0,0]=4 5687 B7R0.4 CSCCCC(=N)N Amb27829199 [1,1,0,0,0,0|2,0,0]=4 5688 B7R0.4 CSCCCC(=O)O Amb17503622 [1,1,0,0,0,0|0,0,0]=2 5689 B7R0.4 CSCCCC(C)=O Amb25122381 [1,1,0,0,0,0|1,0,0]=3 5690 B7R0.4 CSCCCC(C)O Amb25958947 [1,1,0,0,0,0|1,0,1]=4 5691 B7R0.4 CSCCCC(N)=S Amb28048945 [1,1,0,0,0,0|1,1,0]=4 5692 B7R0.4 CSCCCN(C)O Amb33198763 [1,1,0,0,0,0|2,0,0]=4 5693 B7R0.4 CSCCC[C@@H](C)O Amb33198286 [1,1,0,0,0,0|1,0,1]=4 5694 B7R0.4 CSCCC[C@H](C)O Amb33198288 [1,1,0,0,0,0|1,0,1]=4 5695 B7R0.4 CSCCC[N+](=O)[O-] Amb33200220 [1,1,0,0,0,0|1,0,1]=4 5696 B7R0.4 CSCCNC(=O)Cl Amb29882959 [1,1,0,0,0,0|2,0,0]=4 5697 B7R0.4 CSCCNC(C)=O Amb8504699 [1,1,0,0,0,0|2,0,0]=4 5698 B7R0.4 CSCCNC(N)=O Amb27424586 [1,1,0,0,0,0|2,0,0]=4 5699 B7R0.4 CSCCSC(C)=O Amb27635033 [1,1,0,0,0,0|2,0,0]=4 5700 B7R0.4 CSCSCC(=O)O Amb27858824 [1,1,0,0,0,0|1,0,0]=3 5701 B7R0.4 CSSCCC(=O)O Amb26848465 [1,1,0,0,0,0|1,0,0]=3 5702 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [1,1,0,0,0,0|0,0,2]=4 5703 B7R0.4 C[C@@H](O)CCCCBr Amb28343132 [1,1,0,0,0,0|1,0,1]=4 5704 B7R0.4 C[C@@H](O)CCCCCl Amb8517538 [1,1,0,0,0,0|1,0,1]=4 5705 B7R0.4 C[C@@H](O)CCCCF Amb33196128 [1,1,0,0,0,0|1,0,1]=4 5706 B7R0.4 C[C@@H](O)CCCCN Amb27789987 [1,1,0,0,0,0|1,0,1]=4 5707 B7R0.4 C[C@H](O)CCCCF Amb33196129 [1,1,0,0,0,0|1,0,1]=4 5708 B7R0.4 C[C@H](O)CCCCO Amb28381637 [1,1,0,0,0,0|1,0,1]=4 5709 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [1,1,0,0,0,0|0,0,1]=3 5710 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [1,1,0,0,0,0|1,0,1]=4 5711 B7R0.4 N#CCCCC(=O)O Amb33542831 [1,1,0,0,0,0|0,0,1]=3 5712 B7R0.4 N#CCSCC(=O)O Amb6243720 [1,1,0,0,0,0|1,0,1]=4 5713 B7R0.4 N#CNCCC(=O)O Amb30031691 [1,1,0,0,0,0|1,0,1]=4 5714 B7R0.4 N=C(N)CCCCBr Amb4297024 [1,1,0,0,0,0|2,0,0]=4 5715 B7R0.4 N=C(N)CCCCCl Amb4297063 [1,1,0,0,0,0|2,0,0]=4 5716 B7R0.4 N=C(N)CCCCF Amb27486600 [1,1,0,0,0,0|2,0,0]=4 5717 B7R0.4 N=C(N)CCCCN Amb25714813 [1,1,0,0,0,0|2,0,0]=4 5718 B7R0.4 N=C(N)CCCCN Amb33299438 [1,1,0,0,0,0|2,0,0]=4 5719 B7R0.4 NC(=O)CCCCBr Amb27875083 [1,1,0,0,0,0|1,0,0]=3 5720 B7R0.4 NC(=O)CCCCCl Amb7782532 [1,1,0,0,0,0|1,0,0]=3 5721 B7R0.4 NC(=O)CCCCO Amb3939470 [1,1,0,0,0,0|1,0,0]=3 5722 B7R0.4 NC(=O)CCCCS Amb27839239 [1,1,0,0,0,0|1,0,0]=3 5723 B7R0.4 NC(=O)CCSCCl Amb27430706 [1,1,0,0,0,0|2,0,0]=4 5724 B7R0.4 NC(=O)CNCCO Amb6714605 [1,1,0,0,0,0|2,0,0]=4 5725 B7R0.4 NC(=O)COCCBr Amb25133475 [1,1,0,0,0,0|2,0,0]=4 5726 B7R0.4 NC(=O)COCCCl Amb5722397 [1,1,0,0,0,0|2,0,0]=4 5727 B7R0.4 NC(=O)CSCCBr Amb28193514 [1,1,0,0,0,0|2,0,0]=4 5728 B7R0.4 NC(=O)CSCCO Amb6754148 [1,1,0,0,0,0|2,0,0]=4 5729 B7R0.4 NC(=O)CSCCS Amb27651871 [1,1,0,0,0,0|2,0,0]=4 5730 B7R0.4 NC(=O)NCCCF Amb27396406 [1,1,0,0,0,0|2,0,0]=4 5731 B7R0.4 NC(=O)NCCCO Amb9248133 [1,1,0,0,0,0|2,0,0]=4 5732 B7R0.4 NC(=O)OCCCBr Amb28316236 [1,1,0,0,0,0|2,0,0]=4 5733 B7R0.4 NC(=S)CCCCBr Amb27622634 [1,1,0,0,0,0|1,1,0]=4 5734 B7R0.4 NC(=S)CCCCCl Amb25177620 [1,1,0,0,0,0|1,1,0]=4 5735 B7R0.4 NCC#CCC(=O)O Amb27976019 [1,1,0,0,0,0|0,0,2]=4 5736 B7R0.4 NCCC#CC(=O)O Amb32656225 [1,1,0,0,0,0|0,0,2]=4 5737 B7R0.4 NCCCCB(O)O Amb27436221 [1,1,0,0,0,0|1,0,1]=4 5738 B7R0.4 NCCCCC(=O)Cl Amb26599615 [1,1,0,0,0,0|1,0,0]=3 5739 B7R0.4 NCCCCC(=O)O Amb2780021 [1,1,0,0,0,0|0,0,0]=2 5740 B7R0.4 NCCCCC(=O)O Amb3941646 [1,1,0,0,0,0|0,0,0]=2 5741 B7R0.4 NCCCCC(=O)O Amb9825855 [1,1,0,0,0,0|0,0,0]=2 5742 B7R0.4 NCCCCC(N)=O Amb18641897 [1,1,0,0,0,0|1,0,0]=3 5743 B7R0.4 NCCCCC(N)=O Amb33552086 [1,1,0,0,0,0|1,0,0]=3 5744 B7R0.4 NCCCCS(=O)O Amb27882127 [1,1,0,0,0,0|1,0,0]=3 5745 B7R0.4 NCCCNC(=O)O Amb24093884 [1,1,0,0,0,0|1,0,0]=3 5746 B7R0.4 NCCCNC(=O)S Amb27839485 [1,1,0,0,0,0|1,1,0]=4 5747 B7R0.4 NCCCNC(N)=O Amb18296186 [1,1,0,0,0,0|2,0,0]=4 5748 B7R0.4 NCCCNC(N)=O Amb20622408 [1,1,0,0,0,0|2,0,0]=4 5749 B7R0.4 NCCCOC(N)=O Amb26334419 [1,1,0,0,0,0|2,0,0]=4 5750 B7R0.4 NCCCOC(N)=O Amb33299259 [1,1,0,0,0,0|2,0,0]=4 5751 B7R0.4 NCCCOS(=O)O Amb26007874 [1,1,0,0,0,0|2,0,0]=4 5752 B7R0.4 NCCNCC(=O)O Amb17608063 [1,1,0,0,0,0|1,0,0]=3 5753 B7R0.4 NCCNCC(=O)O Amb33339058 [1,1,0,0,0,0|1,0,0]=3 5754 B7R0.4 NCCNCC(N)=O Amb28388338 [1,1,0,0,0,0|2,0,0]=4 5755 B7R0.4 NCCOCC(=O)O Amb18630146 [1,1,0,0,0,0|1,0,0]=3 5756 B7R0.4 NCCOCC(=O)O Amb33550947 [1,1,0,0,0,0|1,0,0]=3 5757 B7R0.4 NCCOCC(N)=O Amb18523830 [1,1,0,0,0,0|2,0,0]=4 5758 B7R0.4 NCCOCC(N)=O Amb33549549 [1,1,0,0,0,0|2,0,0]=4 5759 B7R0.4 NCCSCC(=O)O Amb17500446 [1,1,0,0,0,0|1,0,0]=3 5760 B7R0.4 NCCSCC(=O)O Amb20622325 [1,1,0,0,0,0|1,0,0]=3 5761 B7R0.4 NCCSCC(N)=O Amb6266329 [1,1,0,0,0,0|2,0,0]=4 5762 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [1,1,0,0,0,0|0,0,2]=4 5763 B7R0.4 NOCCCC(=O)O Amb10975956 [1,1,0,0,0,0|1,0,0]=3 5764 B7R0.4 NOCCCC(=O)O Amb22011795 [1,1,0,0,0,0|1,0,0]=3 5765 B7R0.4 NOCCCC(=O)O Amb31283653 [1,1,0,0,0,0|1,0,0]=3 5766 B7R0.4 NS(=O)CCCCCl Amb32720307 [1,1,0,0,0,0|2,0,0]=4 5767 B7R0.4 NS(=O)CCCCF Amb32720393 [1,1,0,0,0,0|2,0,0]=4 5768 B7R0.4 O=C(Cl)CCCCBr Amb2685557 [1,1,0,0,0,0|1,0,0]=3 5769 B7R0.4 O=C(Cl)CCCCCl Amb6296596 [1,1,0,0,0,0|1,0,0]=3 5770 B7R0.4 O=C(Cl)COCCCl Amb17610887 [1,1,0,0,0,0|2,0,0]=4 5771 B7R0.4 O=C(Cl)NCCCCl Amb27856097 [1,1,0,0,0,0|2,0,0]=4 5772 B7R0.4 O=C(Cl)NCCCF Amb35633310 [1,1,0,0,0,0|2,0,0]=4 5773 B7R0.4 O=C(Cl)OCCCCl Amb10844795 [1,1,0,0,0,0|2,0,0]=4 5774 B7R0.4 O=C(Cl)OCCCF Amb26994902 [1,1,0,0,0,0|2,0,0]=4 5775 B7R0.4 O=C(O)C#CCCO Amb25844914 [1,1,0,0,0,0|0,0,2]=4 5776 B7R0.4 O=C(O)CCCCBr Amb6608763 [1,1,0,0,0,0|0,0,0]=2 5777 B7R0.4 O=C(O)CCCCCl Amb3940369 [1,1,0,0,0,0|0,0,0]=2 5778 B7R0.4 O=C(O)CCCCF Amb26639920 [1,1,0,0,0,0|0,0,0]=2 5779 B7R0.4 O=C(O)CCCCO Amb9214971 [1,1,0,0,0,0|0,0,0]=2 5780 B7R0.4 O=C(O)CCCCS Amb17503767 [1,1,0,0,0,0|0,0,0]=2 5781 B7R0.4 O=C(O)CCCNCl Amb27173950 [1,1,0,0,0,0|1,0,0]=3 5782 B7R0.4 O=C(O)CCN=C=S Amb24562253 [1,1,0,0,0,0|1,0,1]=4 5783 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [1,1,0,0,0,0|0,0,2]=4 5784 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [1,1,0,0,0,0|1,0,1]=4 5785 B7R0.4 O=C(O)CNCCF Amb28076282 [1,1,0,0,0,0|1,0,0]=3 5786 B7R0.4 O=C(O)CNCCO Amb9325653 [1,1,0,0,0,0|1,0,0]=3 5787 B7R0.4 O=C(O)COCCCl Amb21857870 [1,1,0,0,0,0|1,0,0]=3 5788 B7R0.4 O=C(O)COCCF Amb27866609 [1,1,0,0,0,0|1,0,0]=3 5789 B7R0.4 O=C(O)COCCO Amb6680914 [1,1,0,0,0,0|1,0,0]=3 5790 B7R0.4 O=C(O)CSCCCl Amb18644703 [1,1,0,0,0,0|1,0,0]=3 5791 B7R0.4 O=C(O)CSSCCl Amb27983630 [1,1,0,0,0,0|2,0,0]=4 5792 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [1,1,0,0,0,0|0,0,2]=4 5793 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [1,1,0,0,0,0|0,0,2]=4 5794 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [1,1,0,0,0,0|0,0,2]=4 5795 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [1,1,0,0,0,0|0,0,2]=4 5796 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [1,1,0,0,0,0|0,0,2]=4 5797 B7R0.4 O=C([O-])CCCCF Amb33527827 [1,1,0,0,0,0|0,0,1]=3 5798 B7R0.4 O=C([O-])CCCCO Amb13952763 [1,1,0,0,0,0|0,0,1]=3 5799 B7R0.4 O=C([O-])CCCCO Amb22749314 [1,1,0,0,0,0|0,0,1]=3 5800 B7R0.4 O=C([O-])COCCO Amb33553026 [1,1,0,0,0,0|1,0,1]=4 5801 B7R0.4 O=C=NCCC(=O)O Amb26053417 [1,1,0,0,0,0|1,0,1]=4 5802 B7R0.4 O=CCCCC(=O)O Amb17593198 [1,1,0,0,0,0|0,0,1]=3 5803 B7R0.4 O=CNCCC(=O)O Amb18290434 [1,1,0,0,0,0|1,0,1]=4 5804 B7R0.4 O=NSCCC(=O)O Amb28429846 [1,1,0,0,0,0|2,0,0]=4 5805 B7R0.4 O=S(Cl)CCCCCl Amb32720306 [1,1,0,0,0,0|2,0,0]=4 5806 B7R0.4 O=S(Cl)CCCCF Amb32720392 [1,1,0,0,0,0|2,0,0]=4 5807 B7R0.4 O=S([O-])CCCCCl Amb28400114 [1,1,0,0,0,0|1,0,1]=4 5808 B7R0.4 O=S([O-])CCCCF Amb32754733 [1,1,0,0,0,0|1,0,1]=4 5809 B7R0.4 O=S([O-])CCCCO Amb27181023 [1,1,0,0,0,0|1,0,1]=4 5810 B7R0.4 O=[N+]([O-])CCCCF Amb33171716 [1,1,0,0,0,0|1,0,1]=4 5811 B7R0.4 O=[N+]([O-])CCCCO Amb25739830 [1,1,0,0,0,0|1,0,1]=4 5812 B7R0.4 OB(O)CCCCBr Amb20171450 [1,1,0,0,0,0|1,0,1]=4 5813 B7R0.4 OC(Cl)CCCCCl Amb27410884 [1,1,0,0,0,0|1,0,1]=4 5814 B7R0.4 OCCCCB(O)O Amb25351122 [1,1,0,0,0,0|1,0,1]=4 5815 B7R0.4 [N-]=[N+]=NCCC(=O)O Amb20622326 [1,1,0,0,0,0|2,0,0]=4 5816 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,1,0,0,0,0|0,0,2]=4 5817 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,1,0,0,0,0|0,0,1]=3 5818 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [1,1,0,0,0,0|1,0,1]=4 5819 B7R0.6 C=C(C)CCC(C)Br Amb27878705 [1,1,0,0,0,0|2,0,0]=4 5820 B7R0.6 C=C(C)CCC(C)N Amb18641752 [1,1,0,0,0,0|2,0,0]=4 5821 B7R0.6 C=C(C)CCC(C)O Amb24062974 [1,1,0,0,0,0|2,0,0]=4 5822 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [1,1,0,0,0,0|1,0,1]=4 5823 B7R0.6 C=C(C)CC[C@@H](C)N Amb33199549 [1,1,0,0,0,0|2,0,0]=4 5824 B7R0.6 C=C(C)CC[C@@H](C)O Amb22896943 [1,1,0,0,0,0|2,0,0]=4 5825 B7R0.6 C=C(C)CC[C@H](C)N Amb33199548 [1,1,0,0,0,0|2,0,0]=4 5826 B7R0.6 C=C(C)CC[C@H](C)O Amb26446405 [1,1,0,0,0,0|2,0,0]=4 5827 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,1,0,0,0,0|1,0,1]=4 5828 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,1,0,0,0,0|0,0,2]=4 5829 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,1,0,0,0,0|0,0,2]=4 5830 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,1,0,0,0,0|0,0,1]=3 5831 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [1,1,0,0,0,0|1,0,1]=4 5832 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [1,1,0,0,0,0|1,0,1]=4 5833 B7R0.6 CC(=O)CCC(C)Br Amb27424770 [1,1,0,0,0,0|1,0,0]=3 5834 B7R0.6 CC(=O)CCC(C)C Amb4605991 [1,1,0,0,0,0|1,0,0]=3 5835 B7R0.6 CC(=O)CCC(C)O Amb25829594 [1,1,0,0,0,0|1,0,0]=3 5836 B7R0.6 CC(=O)CCC(F)F Amb27413848 [1,1,0,0,0,0|2,0,0]=4 5837 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [1,1,0,0,0,0|1,0,1]=4 5838 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [1,1,0,0,0,0|0,1,1]=4 5839 B7R0.6 CC(=O)CCN(C)C Amb1129203 [1,1,0,0,0,0|2,0,0]=4 5840 B7R0.6 CC(=O)CCN(C)C Amb343601 [1,1,0,0,0,0|2,0,0]=4 5841 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [1,1,0,0,0,0|1,0,0]=3 5842 B7R0.6 CC(=O)CNC(C)C Amb28126943 [1,1,0,0,0,0|2,0,0]=4 5843 B7R0.6 CC(=O)CNC(C)C Amb32661638 [1,1,0,0,0,0|2,0,0]=4 5844 B7R0.6 CC(=O)COC(C)C Amb9665256 [1,1,0,0,0,0|2,0,0]=4 5845 B7R0.6 CC(=O)CSC(C)C Amb22549127 [1,1,0,0,0,0|2,0,0]=4 5846 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,1,0,0,0,0|1,0,1]=4 5847 B7R0.6 CC(=O)NCC(C)C Amb3364211 [1,1,0,0,0,0|2,0,0]=4 5848 B7R0.6 CC(=O)NCC(C)N Amb18631377 [1,1,0,0,0,0|2,0,0]=4 5849 B7R0.6 CC(=O)NCC(C)O Amb9276316 [1,1,0,0,0,0|2,0,0]=4 5850 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,1,0,0,0,0|1,0,1]=4 5851 B7R0.6 CC(=O)OCC(C)Br Amb25360690 [1,1,0,0,0,0|2,0,0]=4 5852 B7R0.6 CC(=O)OCC(C)O Amb24056158 [1,1,0,0,0,0|2,0,0]=4 5853 B7R0.6 CC(=O)OC[C@H](C)Br Amb27878701 [1,1,0,0,0,0|2,0,0]=4 5854 B7R0.6 CC(=O)OC[C@H](C)O Amb28315156 [1,1,0,0,0,0|2,0,0]=4 5855 B7R0.6 CC(=O)SCC(C)O Amb27801534 [1,1,0,0,0,0|2,0,0]=4 5856 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [1,1,0,0,0,0|1,0,1]=4 5857 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [1,1,0,0,0,0|1,0,1]=4 5858 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [1,1,0,0,0,0|0,0,0]=2 5859 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,1,0,0,0,0|0,0,2]=4 5860 B7R0.6 CC(C)C#CC(=O)O Amb33544341 [1,1,0,0,0,0|0,0,2]=4 5861 B7R0.6 CC(C)CCB(O)O Amb13890540 [1,1,0,0,0,0|1,0,1]=4 5862 B7R0.6 CC(C)CCC(=N)N Amb19890005 [1,1,0,0,0,0|2,0,0]=4 5863 B7R0.6 CC(C)CCC(=N)N Amb6266403 [1,1,0,0,0,0|2,0,0]=4 5864 B7R0.6 CC(C)CCC(=O)Cl Amb3941047 [1,1,0,0,0,0|1,0,0]=3 5865 B7R0.6 CC(C)CCC(=O)O Amb1153016 [1,1,0,0,0,0|0,0,0]=2 5866 B7R0.6 CC(C)CCC(C)O Amb9748244 [1,1,0,0,0,0|1,0,1]=4 5867 B7R0.6 CC(C)CCC(N)=O Amb8997711 [1,1,0,0,0,0|1,0,0]=3 5868 B7R0.6 CC(C)CCC(N)=S Amb6248593 [1,1,0,0,0,0|1,1,0]=4 5869 B7R0.6 CC(C)CCN(C)O Amb33361677 [1,1,0,0,0,0|2,0,0]=4 5870 B7R0.6 CC(C)CCS(=O)Cl Amb27201771 [1,1,0,0,0,0|2,0,0]=4 5871 B7R0.6 CC(C)CCS(=O)[O-] Amb25914733 [1,1,0,0,0,0|1,0,1]=4 5872 B7R0.6 CC(C)CCS(N)=O Amb32720359 [1,1,0,0,0,0|2,0,0]=4 5873 B7R0.6 CC(C)CC[C@@H](C)O Amb26500468 [1,1,0,0,0,0|1,0,1]=4 5874 B7R0.6 CC(C)CC[C@H](C)O Amb27768728 [1,1,0,0,0,0|1,0,1]=4 5875 B7R0.6 CC(C)CC[N+](=O)[O-] Amb17672612 [1,1,0,0,0,0|1,0,1]=4 5876 B7R0.6 CC(C)CNC(=O)Cl Amb35637064 [1,1,0,0,0,0|2,0,0]=4 5877 B7R0.6 CC(C)CNC(N)=O Amb1151241 [1,1,0,0,0,0|2,0,0]=4 5878 B7R0.6 CC(C)CNC(O)=S Amb27597328 [1,1,0,0,0,0|1,1,0]=4 5879 B7R0.6 CC(C)COC(=O)Cl Amb3940231 [1,1,0,0,0,0|2,0,0]=4 5880 B7R0.6 CC(C)COC(N)=O Amb4020010 [1,1,0,0,0,0|2,0,0]=4 5881 B7R0.6 CC(C)CON(=O)O Amb33780821 [1,1,0,0,0,0|2,0,0]=4 5882 B7R0.6 CC(C)CO[PH](=O)O Amb27252350 [1,1,0,0,0,0|2,0,0]=4 5883 B7R0.6 CC(C)CSC(=O)Cl Amb22337028 [1,1,0,0,0,0|2,0,0]=4 5884 B7R0.6 CC(C)NCC(=O)Cl Amb27441169 [1,1,0,0,0,0|2,0,0]=4 5885 B7R0.6 CC(C)NCC(=O)O Amb2372347 [1,1,0,0,0,0|1,0,0]=3 5886 B7R0.6 CC(C)NCC(=O)O Amb6892753 [1,1,0,0,0,0|1,0,0]=3 5887 B7R0.6 CC(C)NCC(N)=O Amb2370772 [1,1,0,0,0,0|2,0,0]=4 5888 B7R0.6 CC(C)NCC(N)=O Amb399843 [1,1,0,0,0,0|2,0,0]=4 5889 B7R0.6 CC(C)OCC(=O)Cl Amb28041673 [1,1,0,0,0,0|2,0,0]=4 5890 B7R0.6 CC(C)OCC(=O)O Amb6275796 [1,1,0,0,0,0|1,0,0]=3 5891 B7R0.6 CC(C)OCC(N)=O Amb26515707 [1,1,0,0,0,0|2,0,0]=4 5892 B7R0.6 CC(C)SCC(=O)O Amb1128460 [1,1,0,0,0,0|1,0,0]=3 5893 B7R0.6 CC(C)\C=C\C(=O)O Amb8517064 [1,1,0,0,0,0|0,0,2]=4 5894 B7R0.6 CC(Cl)C#CC(=O)O Amb28410751 [1,1,0,0,0,0|0,0,2]=4 5895 B7R0.6 CC(Cl)CCB(O)O Amb26366806 [1,1,0,0,0,0|1,0,1]=4 5896 B7R0.6 CC(Cl)CCC(=O)Cl Amb22229744 [1,1,0,0,0,0|1,0,0]=3 5897 B7R0.6 CC(Cl)CCS(=O)Cl Amb32720414 [1,1,0,0,0,0|2,0,0]=4 5898 B7R0.6 CC(Cl)CCS(=O)[O-] Amb32755731 [1,1,0,0,0,0|1,0,1]=4 5899 B7R0.6 CC(Cl)CCS(N)=O Amb32720415 [1,1,0,0,0,0|2,0,0]=4 5900 B7R0.6 CC(F)CCS(=O)Cl Amb32720694 [1,1,0,0,0,0|2,0,0]=4 5901 B7R0.6 CC(F)CCS(=O)[O-] Amb32754854 [1,1,0,0,0,0|1,0,1]=4 5902 B7R0.6 CC(F)CCS(N)=O Amb32720695 [1,1,0,0,0,0|2,0,0]=4 5903 B7R0.6 CC(I)CCC(=O)O Amb25938596 [1,1,0,0,0,0|0,0,0]=2 5904 B7R0.6 CC(N)C#CC(=O)O Amb27876109 [1,1,0,0,0,0|0,0,2]=4 5905 B7R0.6 CC(N)CCC(=O)O Amb17593212 [1,1,0,0,0,0|0,0,0]=2 5906 B7R0.6 CC(N)CCC(=O)O Amb19515603 [1,1,0,0,0,0|0,0,0]=2 5907 B7R0.6 CC(N)CCC(C)O Amb18641930 [1,1,0,0,0,0|1,0,1]=4 5908 B7R0.6 CC(N)CCP(O)O Amb27468069 [1,1,0,0,0,0|1,0,1]=4 5909 B7R0.6 CC(N)CCS(=O)O Amb27839082 [1,1,0,0,0,0|1,0,0]=3 5910 B7R0.6 CC(N)CCS(C)=O Amb19337158 [1,1,0,0,0,0|2,0,0]=4 5911 B7R0.6 CC(N)CCS(C)=O Amb22059582 [1,1,0,0,0,0|2,0,0]=4 5912 B7R0.6 CC(N)CC[N+](=O)[O-] Amb33745572 [1,1,0,0,0,0|1,0,1]=4 5913 B7R0.6 CC(N)CC[PH](=O)O Amb27221659 [1,1,0,0,0,0|1,0,0]=3 5914 B7R0.6 CC(N)CNC(N)=O Amb18202688 [1,1,0,0,0,0|2,0,0]=4 5915 B7R0.6 CC(N)COC(N)=O Amb29849466 [1,1,0,0,0,0|2,0,0]=4 5916 B7R0.6 CC(N)SCC(=O)O Amb27401691 [1,1,0,0,0,0|1,0,0]=3 5917 B7R0.6 CC(N)\C=C\C(=O)O Amb33804531 [1,1,0,0,0,0|0,0,2]=4 5918 B7R0.6 CC(O)C#CC(=O)O Amb27803065 [1,1,0,0,0,0|0,0,2]=4 5919 B7R0.6 CC(O)CCB(O)O Amb24594819 [1,1,0,0,0,0|1,0,1]=4 5920 B7R0.6 CC(O)CCC(=N)N Amb29849256 [1,1,0,0,0,0|2,0,0]=4 5921 B7R0.6 CC(O)CCC(=O)O Amb18294804 [1,1,0,0,0,0|0,0,0]=2 5922 B7R0.6 CC(O)CCC(=O)[O-] Amb32729478 [1,1,0,0,0,0|0,0,1]=3 5923 B7R0.6 CC(O)CCC(C)O Amb2688714 [1,1,0,0,0,0|1,0,1]=4 5924 B7R0.6 CC(O)CCC(N)=S Amb28078352 [1,1,0,0,0,0|1,1,0]=4 5925 B7R0.6 CC(O)CCS(=O)[O-] Amb27662317 [1,1,0,0,0,0|1,0,1]=4 5926 B7R0.6 CC(O)COC(N)=O Amb26359577 [1,1,0,0,0,0|2,0,0]=4 5927 B7R0.6 CC(S)CCC(=O)O Amb8471198 [1,1,0,0,0,0|0,0,0]=2 5928 B7R0.6 CC(S)CCC(N)=O Amb28399630 [1,1,0,0,0,0|1,0,0]=3 5929 B7R0.6 CN(C)CCC(=O)Cl Amb26050113 [1,1,0,0,0,0|2,0,0]=4 5930 B7R0.6 CN(C)CCC(=O)Cl Amb32652940 [1,1,0,0,0,0|2,0,0]=4 5931 B7R0.6 CN(C)CCC(=O)O Amb19888182 [1,1,0,0,0,0|1,0,0]=3 5932 B7R0.6 CN(C)CCC(=O)O Amb6633385 [1,1,0,0,0,0|1,0,0]=3 5933 B7R0.6 CN(C)CCC(N)=O Amb17231825 [1,1,0,0,0,0|2,0,0]=4 5934 B7R0.6 CN(C)OCC(=O)O Amb28120004 [1,1,0,0,0,0|2,0,0]=4 5935 B7R0.6 CN(N)CCC(=O)O Amb2698078 [1,1,0,0,0,0|1,0,0]=3 5936 B7R0.6 CN(O)CCC(N)=O Amb27390605 [1,1,0,0,0,0|2,0,0]=4 5937 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [1,1,0,0,0,0|1,0,0]=3 5938 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [1,1,0,0,0,0|2,0,0]=4 5939 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [1,1,0,0,0,0|0,0,0]=2 5940 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [1,1,0,0,0,0|0,0,0]=2 5941 B7R0.6 C[C@@H](N)CC[N+](=O)[O-] Amb33731289 [1,1,0,0,0,0|1,0,1]=4 5942 B7R0.6 C[C@@H](O)CC[C@@H](C)O Amb4166310 [1,1,0,0,0,0|1,0,1]=4 5943 B7R0.6 C[C@@H](O)CNC(N)=O Amb28315793 [1,1,0,0,0,0|2,0,0]=4 5944 B7R0.6 C[C@H](N)C#CC(=O)O Amb27644755 [1,1,0,0,0,0|0,0,2]=4 5945 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [1,1,0,0,0,0|0,0,0]=2 5946 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [1,1,0,0,0,0|0,0,0]=2 5947 B7R0.6 C[C@H](N)CC[N+](=O)[O-] Amb33729333 [1,1,0,0,0,0|1,0,1]=4 5948 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [1,1,0,0,0,0|0,0,0]=2 5949 B7R0.6 C[C@H](O)CC[C@@H](C)O Amb26407371 [1,1,0,0,0,0|1,0,1]=4 5950 B7R0.6 C[C@H](O)CC[C@H](C)O Amb4166315 [1,1,0,0,0,0|1,0,1]=4 5951 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [1,1,0,0,0,0|0,0,0]=2 5952 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [1,1,0,0,0,0|1,0,0]=3 5953 B7R0.6 C[S+](C)CCC(=O)[O-] Amb20247306 [1,1,0,0,0,0|1,0,1]=4 5954 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,1,0,0,0,0|0,0,2]=4 5955 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [1,1,0,0,0,0|1,0,1]=4 5956 B7R0.6 NC(=O)CCC(Cl)Cl Amb32671996 [1,1,0,0,0,0|2,0,0]=4 5957 B7R0.6 NC(=O)CCC(O)O Amb27254204 [1,1,0,0,0,0|2,0,0]=4 5958 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [1,1,0,0,0,0|1,0,1]=4 5959 B7R0.6 O=C(O)CCB(O)O Amb24640288 [1,1,0,0,0,0|2,0,0]=4 5960 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [1,1,0,0,0,0|1,0,1]=4 5961 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [1,1,0,0,0,0|1,0,1]=4 5962 B7R0.6 O=C(O)CCC(Cl)Cl Amb25059214 [1,1,0,0,0,0|1,0,0]=3 5963 B7R0.6 O=C(O)CCC(F)F Amb20623135 [1,1,0,0,0,0|1,0,0]=3 5964 B7R0.6 O=C(O)CCN(F)F Amb28370344 [1,1,0,0,0,0|2,0,0]=4 5965 B7R0.6 O=C(O)CCP(O)O Amb27424479 [1,1,0,0,0,0|2,0,0]=4 5966 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [1,1,0,0,0,0|2,0,0]=4 5967 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [1,1,0,0,0,0|2,0,0]=4 5968 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [1,1,0,0,0,0|2,0,0]=4 5969 B7R0.6 O=C(O)COC(F)F Amb26635492 [1,1,0,0,0,0|2,0,0]=4 5970 B7R0.6 O=C(O)CSC(F)F Amb9215372 [1,1,0,0,0,0|2,0,0]=4 5971 B7R0.8 CCCCC(C)(C)O Amb8513443 [1,1,0,0,0,0|1,0,1]=4 5972 B7R0.8 CCCCP(=O)(Cl)Cl Amb8515452 [1,1,0,0,0,0|2,0,0]=4 5973 B7R0.8 CCCCP(=O)(O)O Amb22053921 [1,1,0,0,0,0|1,0,0]=3 5974 B7R0.8 CCCCS(=O)(=O)Cl Amb3939750 [1,1,0,0,0,0|1,0,1]=4 5975 B7R0.8 CCCCS(=O)(=O)F Amb10610096 [1,1,0,0,0,0|1,0,1]=4 5976 B7R0.8 CCCCS(=O)(=O)O Amb10844727 [1,1,0,0,0,0|1,0,0]=3 5977 B7R0.8 CCCCS(=O)(=O)[O-] Amb8514323 [1,1,0,0,0,0|1,0,1]=4 5978 B7R0.8 CCCCS(=O)(=O)[O-] Amb9871422 [1,1,0,0,0,0|1,0,1]=4 5979 B7R0.8 CCCCS(N)(=O)=O Amb1132715 [1,1,0,0,0,0|1,0,1]=4 5980 B7R0.8 CCCC[Sn](O)(O)Cl Amb19894194 [1,1,0,0,0,0|1,0,1]=4 5981 B7R0.8 CCCNS(=O)(=O)O Amb27430064 [1,1,0,0,0,0|2,0,0]=4 5982 B7R0.8 CCCOP(=O)(O)O Amb27789994 [1,1,0,0,0,0|2,0,0]=4 5983 B7R0.8 CCCOP(C)(=O)O Amb24553958 [1,1,0,0,0,0|2,0,0]=4 5984 B7R0.8 CNCCP(=O)(O)O Amb27751957 [1,1,0,0,0,0|2,0,0]=4 5985 B7R0.8 CNCCS(=O)(=O)O Amb6825625 [1,1,0,0,0,0|2,0,0]=4 5986 B7R0.8 CP(=O)(O)CCCN Amb634789 [1,1,0,0,0,0|2,0,0]=4 5987 B7R0.8 NCCCP(=O)(O)O Amb2714831 [1,1,0,0,0,0|2,0,0]=4 5988 B7R0.8 NCCCS(=O)(=O)O Amb3940464 [1,1,0,0,0,0|2,0,0]=4 5989 B7R0.8 O=P(O)(O)CCCCl Amb22388825 [1,1,0,0,0,0|2,0,0]=4 5990 B7R0.8 O=P(O)(O)CCCO Amb28207371 [1,1,0,0,0,0|2,0,0]=4 5991 B7R0.8 O=S(=O)(O)CCCBr Amb27391135 [1,1,0,0,0,0|2,0,0]=4 5992 B7R0.8 O=S(=O)(O)CCCI Amb29859913 [1,1,0,0,0,0|2,0,0]=4 5993 B7R0.8 O=S(=O)(O)CCCS Amb20620653 [1,1,0,0,0,0|2,0,0]=4 5994 B7R0.13 C#CC(C)(C)C(=O)O Amb5720022 [0,1,0,0,1,0|0,0,2]=4 5995 B7R0.13 C#CC(C)(N)C(=O)O Amb23504061 [0,1,0,0,1,0|0,0,2]=4 5996 B7R0.13 C#C[C@@](C)(Cl)C(=O)O Amb27246275 [0,1,0,0,1,0|0,0,2]=4 5997 B7R0.13 C#C[C@](C)(N)C(=O)O Amb24406693 [0,1,0,0,1,0|0,0,2]=4 5998 B7R0.13 C#C[C@](C)(O)C(=O)O Amb27949299 [0,1,0,0,1,0|0,0,2]=4 5999 B7R0.13 C=C(C)C(C)(C)CC Amb28247958 [0,1,0,0,1,0|2,0,0]=4 6000 B7R0.13 C=C(C)C(C)(O)CC Amb27447364 [0,1,0,0,1,0|2,0,0]=4 6001 B7R0.13 C=CC(C)(C)C(=O)O Amb3994191 [0,1,0,0,1,0|0,0,2]=4 6002 B7R0.13 C=CC(C)(N)C(=O)O Amb18641826 [0,1,0,0,1,0|0,0,2]=4 6003 B7R0.13 C=CC(C)(O)C(=O)O Amb8388580 [0,1,0,0,1,0|0,0,2]=4 6004 B7R0.13 C=C[C@@](C)(N)C(=O)O Amb25970753 [0,1,0,0,1,0|0,0,2]=4 6005 B7R0.13 CC(=O)C(C)(Br)CCl Amb27847889 [0,1,0,0,1,0|2,0,0]=4 6006 B7R0.13 CC(=O)C(C)(C)CCl Amb25878125 [0,1,0,0,1,0|2,0,0]=4 6007 B7R0.13 CC(=O)C(C)(C)CF Amb27188572 [0,1,0,0,1,0|2,0,0]=4 6008 B7R0.13 CC(=O)C(C)(C)CO Amb24691506 [0,1,0,0,1,0|2,0,0]=4 6009 B7R0.13 CC(=O)C(C)(Cl)CCl Amb28062978 [0,1,0,0,1,0|2,0,0]=4 6010 B7R0.13 CC(=O)C(C)(O)CO Amb27471773 [0,1,0,0,1,0|2,0,0]=4 6011 B7R0.13 CC(=O)[C@](C)(O)CO Amb28195327 [0,1,0,0,1,0|2,0,0]=4 6012 B7R0.13 CC(Br)(CBr)C(=O)O Amb9703187 [0,1,0,0,1,0|1,0,0]=3 6013 B7R0.13 CC(Br)(CCl)C(=O)O Amb28282621 [0,1,0,0,1,0|1,0,0]=3 6014 B7R0.13 CC(Br)(CO)C(N)=O Amb27657597 [0,1,0,0,1,0|2,0,0]=4 6015 B7R0.13 CC(C)(C#N)C(=O)O Amb9677775 [0,1,0,0,1,0|1,0,1]=4 6016 B7R0.13 CC(C)(C=O)C(=O)O Amb25260968 [0,1,0,0,1,0|1,0,1]=4 6017 B7R0.13 CC(C)(CBr)C(=O)O Amb2613668 [0,1,0,0,1,0|1,0,0]=3 6018 B7R0.13 CC(C)(CBr)C(N)=O Amb24635645 [0,1,0,0,1,0|2,0,0]=4 6019 B7R0.13 CC(C)(CCl)C(=O)Cl Amb2782005 [0,1,0,0,1,0|2,0,0]=4 6020 B7R0.13 CC(C)(CCl)C(=O)O Amb3940361 [0,1,0,0,1,0|1,0,0]=3 6021 B7R0.13 CC(C)(CCl)C(N)=O Amb27206927 [0,1,0,0,1,0|2,0,0]=4 6022 B7R0.13 CC(C)(CF)C(=O)O Amb22000679 [0,1,0,0,1,0|1,0,0]=3 6023 B7R0.13 CC(C)(CF)C(N)=O Amb28342317 [0,1,0,0,1,0|2,0,0]=4 6024 B7R0.13 CC(C)(CN)C(=O)O Amb22371031 [0,1,0,0,1,0|1,0,0]=3 6025 B7R0.13 CC(C)(CN)C(=O)O Amb8396020 [0,1,0,0,1,0|1,0,0]=3 6026 B7R0.13 CC(C)(CN)C(N)=O Amb8396021 [0,1,0,0,1,0|2,0,0]=4 6027 B7R0.13 CC(C)(CO)C(=O)O Amb2613656 [0,1,0,0,1,0|1,0,0]=3 6028 B7R0.13 CC(C)(ON)C(=O)O Amb18641969 [0,1,0,0,1,0|2,0,0]=4 6029 B7R0.13 CC(C)(ON)C(=O)O Amb8390774 [0,1,0,0,1,0|2,0,0]=4 6030 B7R0.13 CC(C)(O[NH3+])C(=O)O Amb22167603 [0,1,0,0,1,0|2,0,0]=4 6031 B7R0.13 CC(Cl)(CCl)C(=O)Cl Amb27231719 [0,1,0,0,1,0|2,0,0]=4 6032 B7R0.13 CC(F)(CBr)C(=O)O Amb28121309 [0,1,0,0,1,0|1,0,0]=3 6033 B7R0.13 CC(F)(CN)C(=O)O Amb27794896 [0,1,0,0,1,0|1,0,0]=3 6034 B7R0.13 CC(N)(CF)C(=O)O Amb27435532 [0,1,0,0,1,0|1,0,0]=3 6035 B7R0.13 CC(N)(CN)C(=O)O Amb25310586 [0,1,0,0,1,0|1,0,0]=3 6036 B7R0.13 CC(N)(CN)C(=O)O Amb33550422 [0,1,0,0,1,0|1,0,0]=3 6037 B7R0.13 CC(N)(CO)C(=O)O Amb2780027 [0,1,0,0,1,0|1,0,0]=3 6038 B7R0.13 CC(N)(CO)C(=O)O Amb28934875 [0,1,0,0,1,0|1,0,0]=3 6039 B7R0.13 CC(N)(CO)C(N)=O Amb28381837 [0,1,0,0,1,0|2,0,0]=4 6040 B7R0.13 CC(N)(CS)C(=O)O Amb18124446 [0,1,0,0,1,0|1,0,0]=3 6041 B7R0.13 CC(N)(CS)C(=O)O Amb24480151 [0,1,0,0,1,0|1,0,0]=3 6042 B7R0.13 CC(O)(CBr)C(=O)O Amb18522184 [0,1,0,0,1,0|1,0,0]=3 6043 B7R0.13 CC(O)(CCl)C(=O)O Amb26497884 [0,1,0,0,1,0|1,0,0]=3 6044 B7R0.13 CC(O)(CO)C(=O)O Amb33544570 [0,1,0,0,1,0|1,0,0]=3 6045 B7R0.13 CCC(C)(Br)C(=O)O Amb22228657 [0,1,0,0,1,0|0,0,0]=2 6046 B7R0.13 CCC(C)(C)B(O)O Amb28281870 [0,1,0,0,1,0|1,0,1]=4 6047 B7R0.13 CCC(C)(C)C(=N)N Amb24651347 [0,1,0,0,1,0|2,0,0]=4 6048 B7R0.13 CCC(C)(C)C(=N)N Amb33465351 [0,1,0,0,1,0|2,0,0]=4 6049 B7R0.13 CCC(C)(C)C(=O)Cl Amb8394880 [0,1,0,0,1,0|1,0,0]=3 6050 B7R0.13 CCC(C)(C)C(=O)O Amb4605833 [0,1,0,0,1,0|0,0,0]=2 6051 B7R0.13 CCC(C)(C)C(=O)S Amb22734427 [0,1,0,0,1,0|0,1,0]=3 6052 B7R0.13 CCC(C)(C)C(C)=O Amb2687561 [0,1,0,0,1,0|1,0,0]=3 6053 B7R0.13 CCC(C)(C)C(C)O Amb26516315 [0,1,0,0,1,0|1,0,1]=4 6054 B7R0.13 CCC(C)(C)C(N)=O Amb3886539 [0,1,0,0,1,0|1,0,0]=3 6055 B7R0.13 CCC(C)(C)C(N)=S Amb17466474 [0,1,0,0,1,0|1,1,0]=4 6056 B7R0.13 CCC(C)(C)[C@@H](C)O Amb33267050 [0,1,0,0,1,0|1,0,1]=4 6057 B7R0.13 CCC(C)(C)[C@H](C)O Amb33267049 [0,1,0,0,1,0|1,0,1]=4 6058 B7R0.13 CCC(C)(C)[S@@](N)=O Amb23401559 [0,1,0,0,1,0|2,0,0]=4 6059 B7R0.13 CCC(C)(C)[S@](N)=O Amb30647460 [0,1,0,0,1,0|2,0,0]=4 6060 B7R0.13 CCC(C)(Cl)C(=O)O Amb25730682 [0,1,0,0,1,0|0,0,0]=2 6061 B7R0.13 CCC(C)(Cl)C(N)=O Amb28075797 [0,1,0,0,1,0|1,0,0]=3 6062 B7R0.13 CCC(C)(N)C(=O)O Amb28934789 [0,1,0,0,1,0|0,0,0]=2 6063 B7R0.13 CCC(C)(N)C(=O)O Amb9728371 [0,1,0,0,1,0|0,0,0]=2 6064 B7R0.13 CCC(C)(N)C(N)=O Amb13952193 [0,1,0,0,1,0|1,0,0]=3 6065 B7R0.13 CCC(C)(N)C(N)=O Amb18949646 [0,1,0,0,1,0|1,0,0]=3 6066 B7R0.13 CCC(C)(O)C(=O)Cl Amb28042052 [0,1,0,0,1,0|1,0,0]=3 6067 B7R0.13 CCC(C)(O)C(=O)O Amb2609046 [0,1,0,0,1,0|0,0,0]=2 6068 B7R0.13 CCC(C)(O)C(C)=O Amb17593200 [0,1,0,0,1,0|1,0,0]=3 6069 B7R0.13 CCC(C)(O)C(C)O Amb24407375 [0,1,0,0,1,0|1,0,1]=4 6070 B7R0.13 CCC(C)(O)C(N)=O Amb24116738 [0,1,0,0,1,0|1,0,0]=3 6071 B7R0.13 CCC(Cl)(Cl)C(=O)O Amb25274946 [0,1,0,0,1,0|1,0,0]=3 6072 B7R0.13 CCC(F)(F)C(=O)O Amb10982488 [0,1,0,0,1,0|1,0,0]=3 6073 B7R0.13 CCC(F)(F)C(N)=O Amb24054261 [0,1,0,0,1,0|2,0,0]=4 6074 B7R0.13 CCC(N)(S)C(=O)O Amb27229859 [0,1,0,0,1,0|1,0,0]=3 6075 B7R0.13 CCC(O)(O)C(=O)O Amb28428544 [0,1,0,0,1,0|1,0,0]=3 6076 B7R0.13 CC[C@@](C)(Cl)C(=O)O Amb27391076 [0,1,0,0,1,0|0,0,0]=2 6077 B7R0.13 CC[C@@](C)(N)C(=O)O Amb8515205 [0,1,0,0,1,0|0,0,0]=2 6078 B7R0.13 CC[C@@](C)(O)C(C)=O Amb24481445 [0,1,0,0,1,0|1,0,0]=3 6079 B7R0.13 CC[C@](C)(N)C(=O)O Amb16183896 [0,1,0,0,1,0|0,0,0]=2 6080 B7R0.13 CC[C@](C)(N)C(=O)O Amb33871585 [0,1,0,0,1,0|0,0,0]=2 6081 B7R0.13 CC[C@](C)(N)C(N)=O Amb27838327 [0,1,0,0,1,0|1,0,0]=3 6082 B7R0.13 CC[C@](C)(O)C(C)=O Amb27860292 [0,1,0,0,1,0|1,0,0]=3 6083 B7R0.13 CC[C@](C)(O)C(N)=O Amb27258058 [0,1,0,0,1,0|1,0,0]=3 6084 B7R0.13 CC[C@](N)(O)C(=O)O Amb28398612 [0,1,0,0,1,0|1,0,0]=3 6085 B7R0.13 CNC(C)(C)C(=O)O Amb30625191 [0,1,0,0,1,0|1,0,0]=3 6086 B7R0.13 CNC(C)(C)C(=O)O Amb4037017 [0,1,0,0,1,0|1,0,0]=3 6087 B7R0.13 CNC(C)(C)C(N)=O Amb18950551 [0,1,0,0,1,0|2,0,0]=4 6088 B7R0.13 CNC(C)(C)C(N)=O Amb33551780 [0,1,0,0,1,0|2,0,0]=4 6089 B7R0.13 COC(C)(C)C(=O)Cl Amb27421286 [0,1,0,0,1,0|2,0,0]=4 6090 B7R0.13 COC(C)(C)C(=O)O Amb7089070 [0,1,0,0,1,0|1,0,0]=3 6091 B7R0.13 COC(C)(C)C(C)=O Amb22169707 [0,1,0,0,1,0|2,0,0]=4 6092 B7R0.13 COC(C)(C)C(N)=O Amb27424664 [0,1,0,0,1,0|2,0,0]=4 6093 B7R0.13 COC(C)(Cl)C(C)=O Amb28321969 [0,1,0,0,1,0|2,0,0]=4 6094 B7R0.13 CSC(C)(C)C(=O)O Amb17501488 [0,1,0,0,1,0|1,0,0]=3 6095 B7R0.13 CSC(Cl)(Cl)C(=O)O Amb27835442 [0,1,0,0,1,0|2,0,0]=4 6096 B7R0.13 CSC(F)(F)C(=O)O Amb23586472 [0,1,0,0,1,0|2,0,0]=4 6097 B7R0.13 C[C@@](F)(CN)C(=O)O Amb27880722 [0,1,0,0,1,0|1,0,0]=3 6098 B7R0.13 C[C@@](N)(CO)C(=O)O Amb8515082 [0,1,0,0,1,0|1,0,0]=3 6099 B7R0.13 C[C@@](N)(CS)C(=O)O Amb16183893 [0,1,0,0,1,0|1,0,0]=3 6100 B7R0.13 C[C@@](N)(CS)C(=O)O Amb22757501 [0,1,0,0,1,0|1,0,0]=3 6101 B7R0.13 C[C@@](N)(CS)C(N)=O Amb27843429 [0,1,0,0,1,0|2,0,0]=4 6102 B7R0.13 C[C@@](O)(CBr)C(=O)Cl Amb27454837 [0,1,0,0,1,0|2,0,0]=4 6103 B7R0.13 C[C@@](O)(CBr)C(=O)O Amb17610012 [0,1,0,0,1,0|1,0,0]=3 6104 B7R0.13 C[C@](N)(CN)C(=O)O Amb25690446 [0,1,0,0,1,0|1,0,0]=3 6105 B7R0.13 C[C@](N)(CO)C(=O)O Amb8515081 [0,1,0,0,1,0|1,0,0]=3 6106 B7R0.13 C[C@](O)(CBr)C(=O)O Amb22224875 [0,1,0,0,1,0|1,0,0]=3 6107 B7R0.13 C[C@](O)(CN)C(=O)O Amb27440648 [0,1,0,0,1,0|1,0,0]=3 6108 B7R0.13 C[C@](S)(CN)C(=O)O Amb27489167 [0,1,0,0,1,0|1,0,0]=3 6109 B7R0.13 NC(N)(CS)C(=O)O Amb24746383 [0,1,0,0,1,0|2,0,0]=4 6110 B7R0.13 NCC(F)(F)C(=O)O Amb19888004 [0,1,0,0,1,0|2,0,0]=4 6111 B7R0.13 NCC(F)(F)C(=O)O Amb2697603 [0,1,0,0,1,0|2,0,0]=4 6112 B7R0.13 O=C(O)C(Cl)(Cl)CCl Amb22731239 [0,1,0,0,1,0|2,0,0]=4 6113 B7R0.13 O=C(O)C(Cl)(Cl)CO Amb27409099 [0,1,0,0,1,0|2,0,0]=4 6114 B7R0.13 O=C(O)C(F)(Cl)CBr Amb27830396 [0,1,0,0,1,0|2,0,0]=4 6115 B7R0.13 O=C(O)C(F)(F)CBr Amb27455617 [0,1,0,0,1,0|2,0,0]=4 6116 B7R0.13 O=C(O)C(F)(F)CF Amb25711017 [0,1,0,0,1,0|2,0,0]=4 6117 B7R0.13 O=C(O)C(F)(F)CO Amb17593305 [0,1,0,0,1,0|2,0,0]=4 6118 B7R0.13 O=C(O)C(F)(F)CS Amb33171136 [0,1,0,0,1,0|2,0,0]=4 6119 B7R0.14 CCC(C)C(C)(C)O Amb22731889 [0,1,0,0,1,0|1,0,1]=4 6120 B7R0.14 CCC(C)S(=O)(=O)Cl Amb2607968 [0,1,0,0,1,0|1,0,1]=4 6121 B7R0.14 CCC(C)S(=O)(=O)F Amb19889429 [0,1,0,0,1,0|1,0,1]=4 6122 B7R0.14 CCC(C)S(=O)(=O)O Amb22372234 [0,1,0,0,1,0|1,0,0]=3 6123 B7R0.14 CCC(C)S(C)(=N)=O Amb32660472 [0,1,0,0,1,0|2,0,0]=4 6124 B7R0.14 CCC(C)S(N)(=O)=O Amb25762563 [0,1,0,0,1,0|1,0,1]=4 6125 B7R0.14 CCC(Cl)P(=O)(O)O Amb27657245 [0,1,0,0,1,0|2,0,0]=4 6126 B7R0.14 CCC(N)P(C)(=O)O Amb27390481 [0,1,0,0,1,0|2,0,0]=4 6127 B7R0.14 CCC(O)P(=O)(O)O Amb24354457 [0,1,0,0,1,0|2,0,0]=4 6128 B7R0.14 CCC(O)S(=O)(=O)O Amb35753165 [0,1,0,0,1,0|2,0,0]=4 6129 B7R0.14 CC[C@@H](N)P(=O)(O)O Amb8516010 [0,1,0,0,1,0|2,0,0]=4 6130 B7R0.14 CC[C@H](N)P(=O)(O)O Amb8517200 [0,1,0,0,1,0|2,0,0]=4 6131 B7R0.14 C[C@@H](CN)S(=O)(=O)O Amb27655537 [0,1,0,0,1,0|2,0,0]=4 6132 B7R0.15 C=C(C)C(CC)CC Amb4019532 [0,1,0,0,1,0|2,0,0]=4 6133 B7R0.15 C=C(C)C(CC)CO Amb28453435 [0,1,0,0,1,0|2,0,0]=4 6134 B7R0.15 C=C(C)C(CC)NC Amb27400414 [0,1,0,0,1,0|2,0,0]=4 6135 B7R0.15 C=CC(CC)C(=O)O Amb28119400 [0,1,0,0,1,0|0,0,1]=3 6136 B7R0.15 C=CC(CC)C(C)=O Amb28315864 [0,1,0,0,1,0|1,0,1]=4 6137 B7R0.15 CC(=O)C(CN)CN Amb28206451 [0,1,0,0,1,0|2,0,0]=4 6138 B7R0.15 CC(=O)C(CO)CO Amb22904340 [0,1,0,0,1,0|2,0,0]=4 6139 B7R0.15 CCC(C#N)C(=O)O Amb17210513 [0,1,0,0,1,0|0,0,1]=3 6140 B7R0.15 CCC(C#N)C(C)=O Amb9535904 [0,1,0,0,1,0|1,0,1]=4 6141 B7R0.15 CCC(C#N)C(N)=O Amb27797961 [0,1,0,0,1,0|1,0,1]=4 6142 B7R0.15 CCC(C=O)C(=O)O Amb28410235 [0,1,0,0,1,0|0,0,1]=3 6143 B7R0.15 CCC(CC)C(=N)N Amb25794850 [0,1,0,0,1,0|2,0,0]=4 6144 B7R0.15 CCC(CC)C(=N)N Amb33295167 [0,1,0,0,1,0|2,0,0]=4 6145 B7R0.15 CCC(CC)C(=O)Cl Amb3939475 [0,1,0,0,1,0|1,0,0]=3 6146 B7R0.15 CCC(CC)C(=O)O Amb4605826 [0,1,0,0,1,0|0,0,0]=2 6147 B7R0.15 CCC(CC)C(=O)[O-] Amb22585838 [0,1,0,0,1,0|0,0,1]=3 6148 B7R0.15 CCC(CC)C(C)=O Amb33536259 [0,1,0,0,1,0|1,0,0]=3 6149 B7R0.15 CCC(CC)C(C)O Amb4020007 [0,1,0,0,1,0|1,0,1]=4 6150 B7R0.15 CCC(CC)C(N)=O Amb33550498 [0,1,0,0,1,0|1,0,0]=3 6151 B7R0.15 CCC(CC)C(N)=S Amb1118595 [0,1,0,0,1,0|1,1,0]=4 6152 B7R0.15 CCC(CC)S(=O)Cl Amb32720374 [0,1,0,0,1,0|2,0,0]=4 6153 B7R0.15 CCC(CC)S(=O)[O-] Amb24722702 [0,1,0,0,1,0|1,0,1]=4 6154 B7R0.15 CCC(CC)S(N)=O Amb32720375 [0,1,0,0,1,0|2,0,0]=4 6155 B7R0.15 CCC(CC)[C@@H](C)O Amb27478745 [0,1,0,0,1,0|1,0,1]=4 6156 B7R0.15 CCC(CC)[C@H](C)O Amb24355152 [0,1,0,0,1,0|1,0,1]=4 6157 B7R0.15 CCC(CC)[N+](=O)[O-] Amb25843309 [0,1,0,0,1,0|1,0,1]=4 6158 B7R0.15 CCC(CCl)C(=O)Cl Amb28421936 [0,1,0,0,1,0|1,0,0]=3 6159 B7R0.15 CCC(CCl)C(=O)O Amb27424156 [0,1,0,0,1,0|0,0,0]=2 6160 B7R0.15 CCC(CF)C(=O)O Amb27625346 [0,1,0,0,1,0|0,0,0]=2 6161 B7R0.15 CCC(CN)C(=O)O Amb18987934 [0,1,0,0,1,0|0,0,0]=2 6162 B7R0.15 CCC(CN)C(=O)O Amb19514932 [0,1,0,0,1,0|0,0,0]=2 6163 B7R0.15 CCC(CN)C(C)O Amb27985476 [0,1,0,0,1,0|1,0,1]=4 6164 B7R0.15 CCC(CN)C(N)=O Amb18294192 [0,1,0,0,1,0|1,0,0]=3 6165 B7R0.15 CCC(CO)C(=O)O Amb18641947 [0,1,0,0,1,0|0,0,0]=2 6166 B7R0.15 CCC(CO)C(=O)[O-] Amb28934895 [0,1,0,0,1,0|0,0,1]=3 6167 B7R0.15 CCC(CO)C(C)O Amb28048986 [0,1,0,0,1,0|1,0,1]=4 6168 B7R0.15 CCC(CO)C(N)=O Amb28314312 [0,1,0,0,1,0|1,0,0]=3 6169 B7R0.15 CCC(CO)[N+](=O)[O-] Amb4035129 [0,1,0,0,1,0|1,0,1]=4 6170 B7R0.15 CCC(NC)C(=O)O Amb10610245 [0,1,0,0,1,0|0,0,0]=2 6171 B7R0.15 CCC(NC)C(=O)O Amb9619833 [0,1,0,0,1,0|0,0,0]=2 6172 B7R0.15 CCC(NC)C(C)=O Amb28049011 [0,1,0,0,1,0|1,0,0]=3 6173 B7R0.15 CCC(NC)C(C)O Amb27253936 [0,1,0,0,1,0|1,0,1]=4 6174 B7R0.15 CCC(NC)C(N)=O Amb15701261 [0,1,0,0,1,0|1,0,0]=3 6175 B7R0.15 CCC(NCl)C(=O)O Amb28387574 [0,1,0,0,1,0|1,0,0]=3 6176 B7R0.15 CCC(NN)C(=O)O Amb18641955 [0,1,0,0,1,0|1,0,0]=3 6177 B7R0.15 CCC(NO)C(=O)O Amb4019788 [0,1,0,0,1,0|1,0,0]=3 6178 B7R0.15 CCC(OC)C(=N)N Amb27806425 [0,1,0,0,1,0|2,0,0]=4 6179 B7R0.15 CCC(OC)C(=O)O Amb8472685 [0,1,0,0,1,0|0,0,0]=2 6180 B7R0.15 CCC(OC)C(C)=O Amb26004835 [0,1,0,0,1,0|1,0,0]=3 6181 B7R0.15 CCC(OC)C(C)O Amb28316065 [0,1,0,0,1,0|1,0,1]=4 6182 B7R0.15 CCC(OC)C(N)=O Amb2027289 [0,1,0,0,1,0|1,0,0]=3 6183 B7R0.15 CCC(OC)C(N)=S Amb27165452 [0,1,0,0,1,0|1,1,0]=4 6184 B7R0.15 CCC(OC)[C@@H](C)O Amb33320657 [0,1,0,0,1,0|1,0,1]=4 6185 B7R0.15 CCC(OC)[C@H](C)O Amb33320656 [0,1,0,0,1,0|1,0,1]=4 6186 B7R0.15 CCC(SC)C(=O)O Amb17501348 [0,1,0,0,1,0|0,0,0]=2 6187 B7R0.15 CCC(SC)C(C)=O Amb28460748 [0,1,0,0,1,0|1,0,0]=3 6188 B7R0.15 CCN(CC)C(=O)Cl Amb6608946 [0,1,0,0,1,0|2,0,0]=4 6189 B7R0.15 CCN(CC)C(C)=O Amb3358092 [0,1,0,0,1,0|2,0,0]=4 6190 B7R0.15 CCN(CC)C(N)=O Amb1128168 [0,1,0,0,1,0|2,0,0]=4 6191 B7R0.15 CCN(CC)C(O)=S Amb24698748 [0,1,0,0,1,0|1,1,0]=4 6192 B7R0.15 CCN(CCl)C(C)=O Amb27253146 [0,1,0,0,1,0|2,0,0]=4 6193 B7R0.15 CCN(OC)C(C)=O Amb28206794 [0,1,0,0,1,0|2,0,0]=4 6194 B7R0.15 CC[C@@H](CN)C(=O)O Amb27838297 [0,1,0,0,1,0|0,0,0]=2 6195 B7R0.15 CC[C@@H](CO)C(=O)O Amb22745321 [0,1,0,0,1,0|0,0,0]=2 6196 B7R0.15 CC[C@@H](NC)C(=O)O Amb28315876 [0,1,0,0,1,0|0,0,0]=2 6197 B7R0.15 CC[C@H](CN)C(=O)O Amb25790771 [0,1,0,0,1,0|0,0,0]=2 6198 B7R0.15 CC[C@H](CO)C(=O)O Amb16232065 [0,1,0,0,1,0|0,0,0]=2 6199 B7R0.15 CC[C@H](NC)C(=O)O Amb24505225 [0,1,0,0,1,0|0,0,0]=2 6200 B7R0.15 CC[C@H](NCl)C(=O)O Amb28193501 [0,1,0,0,1,0|1,0,0]=3 6201 B7R0.15 CC[C@H](NN)C(=O)O Amb28289412 [0,1,0,0,1,0|1,0,0]=3 6202 B7R0.15 CC[C@H](OC)C(C)=O Amb27243431 [0,1,0,0,1,0|1,0,0]=3 6203 B7R0.15 CNC(CN)C(=O)O Amb23515020 [0,1,0,0,1,0|1,0,0]=3 6204 B7R0.15 CNC(CN)C(=O)O Amb28934876 [0,1,0,0,1,0|1,0,0]=3 6205 B7R0.15 CNC(CO)C(=O)O Amb26068513 [0,1,0,0,1,0|1,0,0]=3 6206 B7R0.15 CNC(CO)C(N)=O Amb18641957 [0,1,0,0,1,0|2,0,0]=4 6207 B7R0.15 CNC(CS)C(=O)O Amb2781760 [0,1,0,0,1,0|1,0,0]=3 6208 B7R0.15 CN[C@@H](CO)C(=O)O Amb16183860 [0,1,0,0,1,0|1,0,0]=3 6209 B7R0.15 CN[C@@H](CO)C(C)=O Amb26476298 [0,1,0,0,1,0|2,0,0]=4 6210 B7R0.15 CN[C@@H](CS)C(=O)O Amb27630049 [0,1,0,0,1,0|1,0,0]=3 6211 B7R0.15 CN[C@@H](CS)C(=O)O Amb33875997 [0,1,0,0,1,0|1,0,0]=3 6212 B7R0.15 CN[C@H](CO)C(=O)O Amb26948665 [0,1,0,0,1,0|1,0,0]=3 6213 B7R0.15 COC(CCl)C(=O)Cl Amb27404499 [0,1,0,0,1,0|2,0,0]=4 6214 B7R0.15 COC(CN)C(=O)O Amb22059584 [0,1,0,0,1,0|1,0,0]=3 6215 B7R0.15 COC(CN)C(=O)O Amb24271092 [0,1,0,0,1,0|1,0,0]=3 6216 B7R0.15 COC(OC)C(=O)O Amb26446254 [0,1,0,0,1,0|1,0,0]=3 6217 B7R0.15 COC(OC)C(C)=O Amb6608846 [0,1,0,0,1,0|2,0,0]=4 6218 B7R0.15 COC(OC)C(N)=O Amb341268 [0,1,0,0,1,0|2,0,0]=4 6219 B7R0.15 CO[C@@H](CN)C(=O)O Amb32679591 [0,1,0,0,1,0|1,0,0]=3 6220 B7R0.15 CO[C@@H](CN)C(=O)O Amb32679853 [0,1,0,0,1,0|1,0,0]=3 6221 B7R0.15 CO[C@@H](CO)C(=O)O Amb27409917 [0,1,0,0,1,0|1,0,0]=3 6222 B7R0.15 CSC(C=O)C(=O)O Amb27399075 [0,1,0,0,1,0|1,0,1]=4 6223 B7R0.15 CSC(CCl)C(=O)O Amb24526774 [0,1,0,0,1,0|1,0,0]=3 6224 B7R0.15 CSC(CN)C(=O)O Amb28346880 [0,1,0,0,1,0|1,0,0]=3 6225 B7R0.15 CSC(SC)C(=O)O Amb28245282 [0,1,0,0,1,0|1,0,0]=3 6226 B7R0.15 C\C=C(/CBr)C(=O)O Amb18128301 [0,1,0,0,1,0|0,0,2]=4 6227 B7R0.15 C\C=C(/CC)C(=O)O Amb18641780 [0,1,0,0,1,0|0,0,1]=3 6228 B7R0.15 C\C=C(/CC)C(C)=O Amb27243013 [0,1,0,0,1,0|1,0,1]=4 6229 B7R0.15 C\C=C(\CO)C(=O)O Amb25306747 [0,1,0,0,1,0|0,0,2]=4 6230 B7R0.15 C\N=C(/NC)C(=O)O Amb28349086 [0,1,0,0,1,0|1,0,1]=4 6231 B7R0.15 N#CC(CO)C(=O)O Amb27246245 [0,1,0,0,1,0|1,0,1]=4 6232 B7R0.15 NCC(CF)C(=O)O Amb26995116 [0,1,0,0,1,0|1,0,0]=3 6233 B7R0.15 NC[C@H](CO)C(=O)O Amb26873333 [0,1,0,0,1,0|1,0,0]=3 6234 B7R0.15 NNC(CO)C(=O)O Amb27595622 [0,1,0,0,1,0|2,0,0]=4 6235 B7R0.15 NNC(CS)C(=O)O Amb24117863 [0,1,0,0,1,0|2,0,0]=4 6236 B7R0.15 NNC(CS)C(=O)O Amb27834344 [0,1,0,0,1,0|2,0,0]=4 6237 B7R0.15 NOC(CO)C(=O)O Amb27173883 [0,1,0,0,1,0|2,0,0]=4 6238 B7R0.15 O=C(O)C(CBr)CBr Amb2778682 [0,1,0,0,1,0|1,0,0]=3 6239 B7R0.15 O=C(O)C(CI)CI Amb17779784 [0,1,0,0,1,0|1,0,0]=3 6240 B7R0.15 O=C(O)C(CO)NCl Amb28120918 [0,1,0,0,1,0|2,0,0]=4 6241 B7R0.15 O=C(O)C(CS)CS Amb26600542 [0,1,0,0,1,0|1,0,0]=3 6242 B7R0.15 O=C(O)[C@H](CS)NS Amb27750416 [0,1,0,0,1,0|2,0,0]=4 6243 B9R0.7 C=C(Br)CNC(C)C(C)C Amb18303973 [0,1,0,0,0,1|2,0,0]=4 6244 B9R0.7 C=C(Br)CNC(C)C(C)N Amb27461873 [0,1,0,0,0,1|2,0,0]=4 6245 B9R0.7 C=C(Br)CSC(C)C(C)O Amb27454718 [0,1,0,0,0,1|2,0,0]=4 6246 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,1,0,0,0,1|0,0,1]=3 6247 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [0,1,0,0,0,1|1,0,1]=4 6248 B9R0.7 C=C(C)CCC(C)C(C)N Amb27948974 [0,1,0,0,0,1|2,0,0]=4 6249 B9R0.7 C=C(C)CCC(C)C(C)O Amb26940424 [0,1,0,0,0,1|2,0,0]=4 6250 B9R0.7 C=C(C)CNC(C)C(C)O Amb27597773 [0,1,0,0,0,1|2,0,0]=4 6251 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [0,1,0,0,0,1|1,0,1]=4 6252 B9R0.7 C=C(CCC(=O)O)C(C)C Amb28050060 [0,1,0,0,0,1|0,0,2]=4 6253 B9R0.7 C=C(Cl)CNC(C)C(C)N Amb27658407 [0,1,0,0,0,1|2,0,0]=4 6254 B9R0.7 C=C(Cl)CNC(C)C(C)O Amb28194747 [0,1,0,0,0,1|2,0,0]=4 6255 B9R0.7 CC(=N)N(C)CCC(=O)O Amb27242469 [0,1,0,0,0,1|1,0,1]=4 6256 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,1,0,0,0,1|0,0,1]=3 6257 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,1,0,0,0,1|1,0,1]=4 6258 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,1,0,0,0,1|1,0,1]=4 6259 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,1,0,0,0,1|1,0,1]=4 6260 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,1,0,0,0,1|1,0,1]=4 6261 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,1,0,0,0,1|1,0,1]=4 6262 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [0,1,0,0,0,1|1,0,0]=3 6263 B9R0.7 CC(=O)CCC(Cl)C(C)C Amb27974244 [0,1,0,0,0,1|2,0,0]=4 6264 B9R0.7 CC(=O)CCN(C)C(C)C Amb7777312 [0,1,0,0,0,1|2,0,0]=4 6265 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [0,1,0,0,0,1|1,0,0]=3 6266 B9R0.7 CC(=O)CC[C@H](C)C(C)C Amb27860337 [0,1,0,0,0,1|1,0,0]=3 6267 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [0,1,0,0,0,1|1,0,0]=3 6268 B9R0.7 CC(=O)COC(C)C(C)C Amb27837849 [0,1,0,0,0,1|1,0,0]=3 6269 B9R0.7 CC(=O)CSC(C)C(C)C Amb27166652 [0,1,0,0,0,1|1,0,0]=3 6270 B9R0.7 CC(=O)CSC(C)C(C)O Amb28344436 [0,1,0,0,0,1|1,0,0]=3 6271 B9R0.7 CC(=O)C\C=C(/C)C(C)C Amb24725292 [0,1,0,0,0,1|1,0,1]=4 6272 B9R0.7 CC(=O)C\C=C(\C)C(C)C Amb24408897 [0,1,0,0,0,1|1,0,1]=4 6273 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,1,0,0,0,1|1,0,1]=4 6274 B9R0.7 CC(=O)NCC(C)S(C)=O Amb28137643 [0,1,0,0,0,1|2,0,0]=4 6275 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,1,0,0,0,1|1,0,1]=4 6276 B9R0.7 CC(=O)OCC(N)C(C)C Amb27604557 [0,1,0,0,0,1|2,0,0]=4 6277 B9R0.7 CC(=O)OC[C@H](Br)C(C)C Amb28186618 [0,1,0,0,0,1|2,0,0]=4 6278 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,1,0,0,0,1|1,0,1]=4 6279 B9R0.7 CC(=O)OC[C@H](N)C(C)C Amb28401299 [0,1,0,0,0,1|2,0,0]=4 6280 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,1,0,0,0,1|0,0,1]=3 6281 B9R0.7 CC(=O)\C=C\[C@H](C)C(C)C Amb27859468 [0,1,0,0,0,1|1,0,1]=4 6282 B9R0.7 CC(Br)C(=O)NCC(=O)O Amb4015128 [0,1,0,0,0,1|1,0,1]=4 6283 B9R0.7 CC(Br)C(Br)\C=C\C(=O)O Amb22347457 [0,1,0,0,0,1|1,0,1]=4 6284 B9R0.7 CC(C#CC(=O)O)[C@@H](C)O Amb28423499 [0,1,0,0,0,1|0,0,1]=3 6285 B9R0.7 CC(C)=CCC(C)C(C)O Amb28381787 [0,1,0,0,0,1|2,0,0]=4 6286 B9R0.7 CC(C)C(=N)NCC(=O)O Amb27162604 [0,1,0,0,0,1|1,0,1]=4 6287 B9R0.7 CC(C)C(=O)NCC(=O)O Amb1112853 [0,1,0,0,0,1|1,0,1]=4 6288 B9R0.7 CC(C)C(=S)SCC(=O)O Amb27878469 [0,1,0,0,0,1|1,0,1]=4 6289 B9R0.7 CC(C)C(C)CNC(=O)Cl Amb35633392 [0,1,0,0,0,1|1,0,0]=3 6290 B9R0.7 CC(C)C(C)COC(N)=O Amb27174302 [0,1,0,0,0,1|1,0,0]=3 6291 B9R0.7 CC(C)C(C)NC[C@@H](C)O Amb27620664 [0,1,0,0,0,1|1,0,1]=4 6292 B9R0.7 CC(C)C(C)OCC(N)=O Amb27837847 [0,1,0,0,0,1|1,0,0]=3 6293 B9R0.7 CC(C)C(C)OCC(N)=S Amb27800249 [0,1,0,0,0,1|1,1,0]=4 6294 B9R0.7 CC(C)C(N)C#CC(=O)O Amb27408416 [0,1,0,0,0,1|1,0,1]=4 6295 B9R0.7 CC(C)C(N)CCC(=O)O Amb18124745 [0,1,0,0,0,1|1,0,0]=3 6296 B9R0.7 CC(C)C(N)CNC(N)=O Amb27832804 [0,1,0,0,0,1|2,0,0]=4 6297 B9R0.7 CC(C)C(O)CCC(=O)O Amb25252592 [0,1,0,0,0,1|1,0,0]=3 6298 B9R0.7 CC(C)N(C)CCC(=O)O Amb6611753 [0,1,0,0,0,1|1,0,0]=3 6299 B9R0.7 CC(C)N(C)CCC(=O)O Amb8428206 [0,1,0,0,0,1|1,0,0]=3 6300 B9R0.7 CC(C)N(C)\C=C\C(=O)O Amb27768790 [0,1,0,0,0,1|1,0,1]=4 6301 B9R0.7 CC(C)[C@@H](O)CCC(=O)O Amb28314215 [0,1,0,0,0,1|1,0,0]=3 6302 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,1,0,0,0,1|1,0,1]=4 6303 B9R0.7 CC(CCC(=O)O)N(C)C Amb32654401 [0,1,0,0,0,1|1,0,0]=3 6304 B9R0.7 CC(CCC(=O)O)N(C)C Amb8010013 [0,1,0,0,0,1|1,0,0]=3 6305 B9R0.7 CC(CNC(=O)Cl)N(C)C Amb35625817 [0,1,0,0,0,1|2,0,0]=4 6306 B9R0.7 CC(CNC(=O)Cl)S(C)=O Amb35633595 [0,1,0,0,0,1|2,0,0]=4 6307 B9R0.7 CC(CNC(N)=O)S(C)=O Amb27765013 [0,1,0,0,0,1|2,0,0]=4 6308 B9R0.7 CC(Cl)C(=O)CCC(=O)O Amb25362323 [0,1,0,0,0,1|1,0,1]=4 6309 B9R0.7 CC(Cl)C(=O)NCC(=O)O Amb8393827 [0,1,0,0,0,1|1,0,1]=4 6310 B9R0.7 CC(F)C(N)CCC(=O)O Amb27207659 [0,1,0,0,0,1|1,0,0]=3 6311 B9R0.7 CC(N)C(=O)NCC(=O)O Amb2778754 [0,1,0,0,0,1|1,0,1]=4 6312 B9R0.7 CC(N)C(C)CCS(C)=O Amb27785304 [0,1,0,0,0,1|2,0,0]=4 6313 B9R0.7 CC(N)C(C)NC[C@@H](C)O Amb27229836 [0,1,0,0,0,1|1,0,1]=4 6314 B9R0.7 CC(N)C(O)CCC(=O)O Amb27881667 [0,1,0,0,0,1|1,0,0]=3 6315 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [0,1,0,0,0,1|1,0,1]=4 6316 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [0,1,0,0,0,1|1,0,1]=4 6317 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [0,1,0,0,0,1|1,0,1]=4 6318 B9R0.7 CC(O)C(=O)OCC(=O)O Amb27392962 [0,1,0,0,0,1|1,0,1]=4 6319 B9R0.7 CC(O)C(C)CC=C(Cl)Cl Amb35729778 [0,1,0,0,0,1|2,0,0]=4 6320 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [0,1,0,0,0,1|0,0,0]=2 6321 B9R0.7 CC(O)C(C)NCC(=O)O Amb27444950 [0,1,0,0,0,1|0,0,0]=2 6322 B9R0.7 CC(O)C(C)NCC(N)=O Amb27476355 [0,1,0,0,0,1|1,0,0]=3 6323 B9R0.7 CC(O)C(C)NC[C@@H](C)O Amb27858438 [0,1,0,0,0,1|1,0,1]=4 6324 B9R0.7 CC(O)C(C)\C=C\C(=O)O Amb27759324 [0,1,0,0,0,1|0,0,1]=3 6325 B9R0.7 CC(O)C(O)CCC(N)=O Amb28146727 [0,1,0,0,0,1|2,0,0]=4 6326 B9R0.7 CC(O)CCC(C)C(C)O Amb28044350 [0,1,0,0,0,1|1,0,1]=4 6327 B9R0.7 CC(O)CC[C@@H](C)[C@H](C)O Amb27213872 [0,1,0,0,0,1|1,0,1]=4 6328 B9R0.7 CC(O)CNC(C)C(C)C Amb9359486 [0,1,0,0,0,1|1,0,1]=4 6329 B9R0.7 CC(O)CNC(C)C(C)O Amb27234518 [0,1,0,0,0,1|1,0,1]=4 6330 B9R0.7 CC(O)COC(C)C(C)O Amb28050711 [0,1,0,0,0,1|1,0,1]=4 6331 B9R0.7 CC(S)C(=O)NCC(=O)O Amb2777540 [0,1,0,0,0,1|1,0,1]=4 6332 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [0,1,0,0,0,1|1,0,1]=4 6333 B9R0.7 C[C@@H](Br)C(=O)NCC(=O)O Amb27169385 [0,1,0,0,0,1|1,0,1]=4 6334 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,1,0,0,0,1|1,0,1]=4 6335 B9R0.7 C[C@@H](F)[C@@H](N)CCC(=O)O Amb27604296 [0,1,0,0,0,1|1,0,0]=3 6336 B9R0.7 C[C@@H](F)[C@H](O)CCC(=O)O Amb28256347 [0,1,0,0,0,1|1,0,0]=3 6337 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O Amb22756673 [0,1,0,0,0,1|1,0,1]=4 6338 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O Amb30867950 [0,1,0,0,0,1|1,0,1]=4 6339 B9R0.7 C[C@@H](N)[C@@H](O)CCC(=O)O Amb27655533 [0,1,0,0,0,1|1,0,0]=3 6340 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [0,1,0,0,0,1|1,0,1]=4 6341 B9R0.7 C[C@@H](O)[C@@H](O)\C=C\C(=O)O Amb28067737 [0,1,0,0,0,1|1,0,1]=4 6342 B9R0.7 C[C@@H](O)[C@H](C)C#CC(=O)O Amb27831855 [0,1,0,0,0,1|0,0,1]=3 6343 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [0,1,0,0,0,1|1,0,0]=3 6344 B9R0.7 C[C@H](Br)[C@H](O)\C=C\C(=O)O Amb27751397 [0,1,0,0,0,1|1,0,1]=4 6345 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,1,0,0,0,1|1,0,1]=4 6346 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O Amb27776749 [0,1,0,0,0,1|1,0,1]=4 6347 B9R0.7 C[C@H](F)[C@H](O)CCC(=O)O Amb28126864 [0,1,0,0,0,1|1,0,0]=3 6348 B9R0.7 C[C@H](N)C(=O)NCC(=O)O Amb4035944 [0,1,0,0,0,1|1,0,1]=4 6349 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [0,1,0,0,0,1|1,0,1]=4 6350 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [0,1,0,0,0,1|1,0,1]=4 6351 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [0,1,0,0,0,1|1,0,1]=4 6352 B9R0.7 C[C@H](O)[C@@H](C)\C=C\C(=O)O Amb28239463 [0,1,0,0,0,1|0,0,1]=3 6353 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [0,1,0,0,0,1|1,0,0]=3 6354 B9R0.7 C\C(=C/CC(=O)O)C(C)C Amb25866328 [0,1,0,0,0,1|0,0,1]=3 6355 B9R0.7 NC(CCC(=O)O)C(F)F Amb19148415 [0,1,0,0,0,1|2,0,0]=4 6356 B9R0.21 CCC(C)CCS(=O)(=O)Cl Amb27778335 [0,1,0,0,0,1|1,0,1]=4 6357 B9R0.21 CCC(C)CCS(=O)(=O)F Amb33352888 [0,1,0,0,0,1|1,0,1]=4 6358 B9R0.21 CCC(C)CCS(N)(=O)=O Amb25371078 [0,1,0,0,0,1|1,0,1]=4 6359 B9R0.21 CCC(C)CNS(C)(=O)=O Amb28367091 [0,1,0,0,0,1|1,0,1]=4 6360 B9R0.21 CCC(C)COS(N)(=O)=O Amb33054748 [0,1,0,0,0,1|1,0,1]=4 6361 B9R0.21 CCC(C)NCC(C)(C)O Amb17138404 [0,1,0,0,0,1|1,0,1]=4 6362 B9R0.21 CC[C@@H](O)COP(=O)(O)O Amb27765919 [0,1,0,0,0,1|2,0,0]=4 6363 B9R0.21 CC[C@H](C)CCS(=O)(=O)Cl Amb27229585 [0,1,0,0,0,1|1,0,1]=4 6364 B9R0.21 CC[C@H](C)COS(C)(=O)=O Amb22367081 [0,1,0,0,0,1|1,0,1]=4 6365 B9R0.21 CNC(C)COS(=O)(=O)O Amb27425086 [0,1,0,0,0,1|2,0,0]=4 6366 B9R0.23 C=C(C)CC(=O)C(C)CC Amb27875938 [0,1,0,0,0,1|2,0,0]=4 6367 B9R0.23 C=C(C)CC(Cl)C(C)CC Amb27948813 [0,1,0,0,0,1|2,0,0]=4 6368 B9R0.23 C=C(CC)C(N)CC(=O)O Amb25068441 [0,1,0,0,0,1|0,0,2]=4 6369 B9R0.23 CC(=O)CN(C)C(C)CO Amb27603879 [0,1,0,0,0,1|2,0,0]=4 6370 B9R0.23 CC(=O)OC(C)C(C)CN Amb27838034 [0,1,0,0,0,1|2,0,0]=4 6371 B9R0.23 CC(=O)O[C@H](C)[C@H](C)CN Amb27876408 [0,1,0,0,0,1|2,0,0]=4 6372 B9R0.23 CC(C=O)C(C)CC(=O)O Amb27838156 [0,1,0,0,0,1|1,0,1]=4 6373 B9R0.23 CC(CC(=O)O)C(N)CO Amb27843636 [0,1,0,0,0,1|2,0,0]=4 6374 B9R0.23 CC(CN)N(C)CC(=O)O Amb27453888 [0,1,0,0,0,1|1,0,0]=3 6375 B9R0.23 CC(CO)C(C)NC(N)=O Amb28351735 [0,1,0,0,0,1|2,0,0]=4 6376 B9R0.23 CCC(=O)N(C)CC(=O)O Amb1113094 [0,1,0,0,0,1|1,0,1]=4 6377 B9R0.23 CCC(Br)C(C)OC(C)=O Amb27234888 [0,1,0,0,0,1|2,0,0]=4 6378 B9R0.23 CCC(C)C(=N)CC(C)=O Amb27629398 [0,1,0,0,0,1|1,0,0]=3 6379 B9R0.23 CCC(C)C(=O)CC(C)=O Amb24544654 [0,1,0,0,0,1|1,0,0]=3 6380 B9R0.23 CCC(C)C(=O)CC(C)O Amb28141520 [0,1,0,0,0,1|1,0,1]=4 6381 B9R0.23 CCC(C)C(=O)CS(C)=O Amb27837870 [0,1,0,0,0,1|2,0,0]=4 6382 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] Amb28349860 [0,1,0,0,0,1|1,0,1]=4 6383 B9R0.23 CCC(C)C(=O)NC(N)=O Amb28050080 [0,1,0,0,0,1|1,0,1]=4 6384 B9R0.23 CCC(C)C(C)CC(=O)O Amb18304200 [0,1,0,0,0,1|0,0,0]=2 6385 B9R0.23 CCC(C)C(C)NC(=O)Cl Amb35625811 [0,1,0,0,0,1|1,0,0]=3 6386 B9R0.23 CCC(C)C(C)NC(C)=O Amb27778847 [0,1,0,0,0,1|1,0,0]=3 6387 B9R0.23 CCC(C)C(N)CC(=O)O Amb2438880 [0,1,0,0,0,1|0,0,0]=2 6388 B9R0.23 CCC(C)C(N)CC(N)=O Amb25312995 [0,1,0,0,0,1|1,0,0]=3 6389 B9R0.23 CCC(C)C(N)CS(C)=O Amb27768663 [0,1,0,0,0,1|2,0,0]=4 6390 B9R0.23 CCC(C)C(O)CC(=O)O Amb18310690 [0,1,0,0,0,1|0,0,0]=2 6391 B9R0.23 CCC(C)N(C)CC(=O)O Amb8900884 [0,1,0,0,0,1|0,0,0]=2 6392 B9R0.23 CCC(C)N(C)CC(N)=O Amb27171388 [0,1,0,0,0,1|1,0,0]=3 6393 B9R0.23 CCC(C)S(=O)CC(=O)O Amb18523822 [0,1,0,0,0,1|0,0,0]=2 6394 B9R0.23 CCC(C)[C@@H](N)CC(=O)O Amb28455466 [0,1,0,0,0,1|0,0,0]=2 6395 B9R0.23 CCC(C)[C@@H](N)CC(N)=O Amb25823252 [0,1,0,0,0,1|1,0,0]=3 6396 B9R0.23 CCC(C)[C@@H](O)CC(=O)O Amb33318493 [0,1,0,0,0,1|0,0,0]=2 6397 B9R0.23 CCC(C)[C@@H](O)CC(C)=O Amb27227937 [0,1,0,0,0,1|1,0,0]=3 6398 B9R0.23 CCC(C)[C@@H](O)C[C@@H](C)O Amb28126884 [0,1,0,0,0,1|1,0,1]=4 6399 B9R0.23 CCC(C)[C@H](N)CC(=O)O Amb25117039 [0,1,0,0,0,1|0,0,0]=2 6400 B9R0.23 CCC(C)[C@H](N)CC(N)=O Amb28050389 [0,1,0,0,0,1|1,0,0]=3 6401 B9R0.23 CCC(C)[C@H](O)CC(=O)O Amb33318492 [0,1,0,0,0,1|0,0,0]=2 6402 B9R0.23 CCC(C)[C@H](O)CC(C)=O Amb27243299 [0,1,0,0,0,1|1,0,0]=3 6403 B9R0.23 CCC(C)[C@H](O)C[C@@H](C)O Amb27835112 [0,1,0,0,0,1|1,0,1]=4 6404 B9R0.23 CCC(C)\C(C)=C\C(=O)O Amb27837581 [0,1,0,0,0,1|0,0,1]=3 6405 B9R0.23 CCC(C)\C(C)=C\C(C)=O Amb27196911 [0,1,0,0,0,1|1,0,1]=4 6406 B9R0.23 CCC(C)\C(Cl)=C\C(=O)O Amb28254394 [0,1,0,0,0,1|0,0,1]=3 6407 B9R0.23 CCC(Cl)C(C)OC(C)=O Amb28208308 [0,1,0,0,0,1|2,0,0]=4 6408 B9R0.23 CCC(N)C(C)NC(C)=O Amb27228184 [0,1,0,0,0,1|2,0,0]=4 6409 B9R0.23 CCN(C)C(=O)CC(=O)O Amb18987423 [0,1,0,0,0,1|1,0,0]=3 6410 B9R0.23 CCN(C)C(=O)CC(N)=O Amb16233768 [0,1,0,0,0,1|2,0,0]=4 6411 B9R0.23 CCN(C)C(C)CC(=O)O Amb22587145 [0,1,0,0,0,1|1,0,0]=3 6412 B9R0.23 CCN(C)C(C)CC(=O)O Amb9399322 [0,1,0,0,0,1|1,0,0]=3 6413 B9R0.23 CCS(=O)C(C)CC(=O)O Amb19012075 [0,1,0,0,0,1|2,0,0]=4 6414 B9R0.23 CC[C@@H](C)C(N)CC(=O)O Amb32687892 [0,1,0,0,0,1|0,0,0]=2 6415 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O Amb25689818 [0,1,0,0,0,1|0,0,0]=2 6416 B9R0.23 CC[C@@H](Cl)[C@H](C)OC(C)=O Amb27790836 [0,1,0,0,0,1|2,0,0]=4 6417 B9R0.23 CC[C@H](C)C(N)CC(=O)O Amb32687890 [0,1,0,0,0,1|0,0,0]=2 6418 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O Amb16184016 [0,1,0,0,0,1|0,0,0]=2 6419 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb19944304 [0,1,0,0,0,1|0,0,0]=2 6420 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Amb25068405 [0,1,0,0,0,1|0,0,0]=2 6421 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O Amb27469484 [0,1,0,0,0,1|1,0,0]=3 6422 B9R0.23 CC\C(C)=C(/C)CC(=O)O Amb28050046 [0,1,0,0,0,1|0,0,1]=3 6423 B9R0.23 COC(C)C(=O)CC(C)=O Amb26479508 [0,1,0,0,0,1|2,0,0]=4 6424 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,1,0,0,0,1|1,0,0]=3 6425 B9R0.23 COC(C)C(N)CC(=O)O Amb26567214 [0,1,0,0,0,1|1,0,0]=3 6426 B9R0.23 COC(C)C(N)CC(N)=O Amb26580109 [0,1,0,0,0,1|2,0,0]=4 6427 B9R0.23 COC(C)[C@@H](C)NC(C)=O Amb27197797 [0,1,0,0,0,1|2,0,0]=4 6428 B9R0.23 COC(C)[C@H](C)NC(C)=O Amb28063340 [0,1,0,0,0,1|2,0,0]=4 6429 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35788177 [0,1,0,0,0,1|1,0,0]=3 6430 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35789671 [0,1,0,0,0,1|1,0,0]=3 6431 B9R0.23 C[C@H](C=O)[C@@H](C)CC(=O)O Amb27874077 [0,1,0,0,0,1|1,0,1]=4 6432 B9R0.23 C[C@H](CO)N(C)CC(=O)O Amb28254590 [0,1,0,0,0,1|1,0,0]=3 6433 B9R0.23 C[C@H](CO)N(C)CC(N)=O Amb28316067 [0,1,0,0,0,1|2,0,0]=4 6434 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,1,0,0,0,1|0,0,2]=4 6435 B9R0.23 NC(CC(=O)O)C(O)CF Amb28071644 [0,1,0,0,0,1|2,0,0]=4 6436 B9R0.23 NC(CO)C(N)CC(=O)O Amb27804493 [0,1,0,0,0,1|2,0,0]=4 6437 B9R0.23 N[C@@H](CO)[C@H](N)CC(=O)O Amb27594534 [0,1,0,0,0,1|2,0,0]=4 6438 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [0,1,0,0,0,1|2,0,0]=4 6439 B9R0.24 C#CC(=O)NCC(C)CC Amb35715065 [0,1,0,0,0,1|1,0,0]=3 6440 B9R0.24 C#CC(=O)NCC(C)CN Amb18908339 [0,1,0,0,0,1|2,0,0]=4 6441 B9R0.24 C#CC(=O)NCC(C)OC Amb27982507 [0,1,0,0,0,1|2,0,0]=4 6442 B9R0.24 C#CC(=O)NC[C@@H](C)OC Amb35637595 [0,1,0,0,0,1|2,0,0]=4 6443 B9R0.24 C#CC(=O)NC[C@H](C)OC Amb35637594 [0,1,0,0,0,1|2,0,0]=4 6444 B9R0.24 C#CC(=O)NOC(C)CC Amb27457275 [0,1,0,0,0,1|2,0,0]=4 6445 B9R0.24 C#CC(=O)OCC(Br)CC Amb33050566 [0,1,0,0,0,1|2,0,0]=4 6446 B9R0.24 C#CC(=O)OCC(O)CC Amb28065085 [0,1,0,0,0,1|2,0,0]=4 6447 B9R0.24 C#CC(C)NCC(=O)OC Amb27401661 [0,1,0,0,0,1|0,0,2]=4 6448 B9R0.24 C#CC(C)OCC(=O)OC Amb27660803 [0,1,0,0,0,1|0,0,2]=4 6449 B9R0.24 C=CC(=O)CCC(C)CC Amb27227030 [0,1,0,0,0,1|1,0,0]=3 6450 B9R0.24 C=CC(=O)CSC(C)CC Amb27251841 [0,1,0,0,0,1|1,0,0]=3 6451 B9R0.24 C=CC(=O)NCC(C)CO Amb27224821 [0,1,0,0,0,1|2,0,0]=4 6452 B9R0.24 C=CC(=O)OCC(C)CC Amb17934097 [0,1,0,0,0,1|1,0,0]=3 6453 B9R0.24 C=CC(O)CSC(C)CC Amb27228170 [0,1,0,0,0,1|1,0,1]=4 6454 B9R0.24 CC(CO)CCC(=O)NN Amb28350052 [0,1,0,0,0,1|2,0,0]=4 6455 B9R0.24 CC(CO)CNC(=O)CBr Amb27175197 [0,1,0,0,0,1|2,0,0]=4 6456 B9R0.24 CC(CO)CNC(=O)CCl Amb27833178 [0,1,0,0,0,1|2,0,0]=4 6457 B9R0.24 CC(CO)CNC(=O)CN Amb27197708 [0,1,0,0,0,1|2,0,0]=4 6458 B9R0.24 CC(CO)CNC(=O)CS Amb27401279 [0,1,0,0,0,1|1,1,0]=4 6459 B9R0.24 CCC(=O)CCC(C)CC Amb28348884 [0,1,0,0,0,1|1,0,0]=3 6460 B9R0.24 CCC(=O)CCC(C)CN Amb28060686 [0,1,0,0,0,1|2,0,0]=4 6461 B9R0.24 CCC(=O)CCC(N)CC Amb27454005 [0,1,0,0,0,1|2,0,0]=4 6462 B9R0.24 CCC(=O)CNC(=O)CO Amb27448700 [0,1,0,0,0,1|1,0,1]=4 6463 B9R0.24 CCC(=O)COC(C)CC Amb27395562 [0,1,0,0,0,1|1,0,0]=3 6464 B9R0.24 CCC(=O)CSC(C)CC Amb18800476 [0,1,0,0,0,1|1,0,0]=3 6465 B9R0.24 CCC(=O)NCC(Br)CC Amb27971757 [0,1,0,0,0,1|2,0,0]=4 6466 B9R0.24 CCC(=O)NCC(C)CBr Amb28249686 [0,1,0,0,0,1|2,0,0]=4 6467 B9R0.24 CCC(=O)NCC(C)CCl Amb28049464 [0,1,0,0,0,1|2,0,0]=4 6468 B9R0.24 CCC(=O)NCC(C)CN Amb19027064 [0,1,0,0,0,1|2,0,0]=4 6469 B9R0.24 CCC(=O)NCC(N)CC Amb27663327 [0,1,0,0,0,1|2,0,0]=4 6470 B9R0.24 CCC(=O)NCC(O)CC Amb27426269 [0,1,0,0,0,1|2,0,0]=4 6471 B9R0.24 CCC(=O)OCC(Br)CC Amb33276519 [0,1,0,0,0,1|2,0,0]=4 6472 B9R0.24 CCC(=O)OCC(C)CBr Amb27603933 [0,1,0,0,0,1|2,0,0]=4 6473 B9R0.24 CCC(Br)CCC(=O)OC Amb28049989 [0,1,0,0,0,1|1,0,0]=3 6474 B9R0.24 CCC(C)C#CC(=O)OC Amb25333980 [0,1,0,0,0,1|0,0,1]=3 6475 B9R0.24 CCC(C)CCC(=O)OC Amb25690993 [0,1,0,0,0,1|0,0,0]=2 6476 B9R0.24 CCC(C)CCC(O)CCl Amb27770538 [0,1,0,0,0,1|1,0,1]=4 6477 B9R0.24 CCC(C)CNC(=O)CBr Amb23512819 [0,1,0,0,0,1|1,0,0]=3 6478 B9R0.24 CCC(C)CN\C(N)=N\N Amb27839172 [0,1,0,0,0,1|2,0,0]=4 6479 B9R0.24 CCC(C)CN\C(N)=N\O Amb27470141 [0,1,0,0,0,1|1,0,0]=3 6480 B9R0.24 CCC(C)COC(=O)CO Amb27425710 [0,1,0,0,0,1|0,0,0]=2 6481 B9R0.24 CCC(C)CS\C(N)=N\N Amb27620245 [0,1,0,0,0,1|2,0,0]=4 6482 B9R0.24 CCC(C)C\C=C(\C)C=O Amb27493317 [0,1,0,0,0,1|1,0,0]=3 6483 B9R0.24 CCC(C)NCC(=O)OC Amb6687134 [0,1,0,0,0,1|0,0,0]=2 6484 B9R0.24 CCC(C)NCC(O)CCl Amb28322817 [0,1,0,0,0,1|1,0,1]=4 6485 B9R0.24 CCC(C)NC[C@@H](O)CC Amb27802859 [0,1,0,0,0,1|1,0,1]=4 6486 B9R0.24 CCC(C)NC\C(C)=C\Cl Amb27410124 [0,1,0,0,0,1|2,0,0]=4 6487 B9R0.24 CCC(C)OCC(=O)CCl Amb27250551 [0,1,0,0,0,1|1,0,0]=3 6488 B9R0.24 CCC(C)OCC(O)CN Amb27392806 [0,1,0,0,0,1|1,0,1]=4 6489 B9R0.24 CCC(C)OCC(O)CO Amb27978502 [0,1,0,0,0,1|0,0,2]=4 6490 B9R0.24 CCC(C)ONC(=O)NC Amb27456067 [0,1,0,0,0,1|2,0,0]=4 6491 B9R0.24 CCC(C)SCC(=N)NC Amb27463060 [0,1,0,0,0,1|2,0,0]=4 6492 B9R0.24 CCC(C)SCC(=O)NC Amb28138235 [0,1,0,0,0,1|1,0,0]=3 6493 B9R0.24 CCC(C)SCC(O)CO Amb28049667 [0,1,0,0,0,1|0,0,2]=4 6494 B9R0.24 CCC(C)SC[C@@H](O)CN Amb28048046 [0,1,0,0,0,1|1,0,1]=4 6495 B9R0.24 CCC(C)SC\C(N)=N\O Amb6680771 [0,1,0,0,0,1|1,0,0]=3 6496 B9R0.24 CCC(C)\C=C/C(=O)OC Amb27760361 [0,1,0,0,0,1|0,0,1]=3 6497 B9R0.24 CCC(C)\C=C\C(=O)OC Amb28049396 [0,1,0,0,0,1|0,0,1]=3 6498 B9R0.24 CCC(Cl)CCC(=O)OC Amb28076681 [0,1,0,0,0,1|1,0,0]=3 6499 B9R0.24 CCC(F)CSC(=S)OC Amb28074894 [0,1,0,0,0,1|1,1,0]=4 6500 B9R0.24 CCC(N)C#CC(=O)OC Amb33168797 [0,1,0,0,0,1|1,0,1]=4 6501 B9R0.24 CCC(N)CCC(=O)NC Amb27483390 [0,1,0,0,0,1|2,0,0]=4 6502 B9R0.24 CCC(N)CCC(=O)OC Amb26855249 [0,1,0,0,0,1|1,0,0]=3 6503 B9R0.24 CCC(N)CCC(=O)OC Amb33483211 [0,1,0,0,0,1|1,0,0]=3 6504 B9R0.24 CCC(N)CNC(=O)NC Amb27172077 [0,1,0,0,0,1|2,0,0]=4 6505 B9R0.24 CCC(O)C#CC(=O)OC Amb22043388 [0,1,0,0,0,1|1,0,1]=4 6506 B9R0.24 CCC(O)CCC(=O)NN Amb6337544 [0,1,0,0,0,1|2,0,0]=4 6507 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [0,1,0,0,0,1|1,0,0]=3 6508 B9R0.24 CCC(O)CNC(=O)CBr Amb28256000 [0,1,0,0,0,1|2,0,0]=4 6509 B9R0.24 CCC(O)CNC(=O)CN Amb27242062 [0,1,0,0,0,1|2,0,0]=4 6510 B9R0.24 CCN(C)CCC(=O)OC Amb8890963 [0,1,0,0,0,1|1,0,0]=3 6511 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [0,1,0,0,0,1|1,0,0]=3 6512 B9R0.24 CC[C@H](O)CNC(=O)NC Amb27945374 [0,1,0,0,0,1|2,0,0]=4 6513 B9R0.24 CNC(=O)NCC(C)CO Amb28363662 [0,1,0,0,0,1|2,0,0]=4 6514 B9R0.24 CNC(=O)NC[C@@H](C)OC Amb35637593 [0,1,0,0,0,1|2,0,0]=4 6515 B9R0.24 CNC(=O)NC[C@H](C)OC Amb35641868 [0,1,0,0,0,1|2,0,0]=4 6516 B9R0.24 COC(=O)C#CC(C)CN Amb33168811 [0,1,0,0,0,1|1,0,1]=4 6517 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [0,1,0,0,0,1|1,0,1]=4 6518 B9R0.24 COC(=O)CCC(C)CN Amb26032831 [0,1,0,0,0,1|1,0,0]=3 6519 B9R0.24 COC(=O)CCC(C)CO Amb28319952 [0,1,0,0,0,1|1,0,0]=3 6520 B9R0.24 COC(=O)CCC(C)OC Amb26355788 [0,1,0,0,0,1|1,0,0]=3 6521 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [0,1,0,0,0,1|2,0,0]=4 6522 B9R0.24 COC(=O)CCN(C)OC Amb27206937 [0,1,0,0,0,1|2,0,0]=4 6523 B9R0.24 COC(=O)CC[C@@H](C)CN Amb27468094 [0,1,0,0,0,1|1,0,0]=3 6524 B9R0.24 COC(=O)CC[C@@H](C)CO Amb28050698 [0,1,0,0,0,1|1,0,0]=3 6525 B9R0.24 COC(=O)CC[C@@H](O)CO Amb27761525 [0,1,0,0,0,1|2,0,0]=4 6526 B9R0.24 COC(=O)CC[C@H](N)CF Amb27628411 [0,1,0,0,0,1|2,0,0]=4 6527 B9R0.24 COC(=O)CC[C@H](O)CBr Amb27635803 [0,1,0,0,0,1|2,0,0]=4 6528 B9R0.24 COC(=O)CNC(C)C#N Amb17044888 [0,1,0,0,0,1|1,0,1]=4 6529 B9R0.24 COC(=O)C\C=C(\C)CO Amb28050664 [0,1,0,0,0,1|1,0,1]=4 6530 B9R0.24 COC(=O)C\N=C(/C)OC Amb27632931 [0,1,0,0,0,1|1,0,1]=4 6531 B9R0.24 COC(=O)NCC(C)C#N Amb27599655 [0,1,0,0,0,1|1,0,1]=4 6532 B9R0.24 COC(=O)NCC(C)CO Amb28286586 [0,1,0,0,0,1|1,0,0]=3 6533 B9R0.24 COC(=O)NCC(N)CO Amb27598507 [0,1,0,0,0,1|2,0,0]=4 6534 B9R0.24 COC(=O)NCC(O)CO Amb27876174 [0,1,0,0,0,1|2,0,0]=4 6535 B9R0.24 COC(=O)OCC(C)CBr Amb27391484 [0,1,0,0,0,1|1,0,0]=3 6536 B9R0.24 COC(=O)OCC(Cl)CCl Amb27483962 [0,1,0,0,0,1|2,0,0]=4 6537 B9R0.24 COC(=O)\C=C\C(C)CO Amb28454593 [0,1,0,0,0,1|1,0,1]=4 6538 B9R0.24 COC(=S)SCC(C)OC Amb27604357 [0,1,0,0,0,1|1,1,0]=4 6539 B9R0.24 COC(C)CCC(=O)CN Amb27257316 [0,1,0,0,0,1|2,0,0]=4 6540 B9R0.24 COC(C)CCC(=O)NN Amb27232398 [0,1,0,0,0,1|2,0,0]=4 6541 B9R0.24 COC(C)CNC(=O)CN Amb27474446 [0,1,0,0,0,1|2,0,0]=4 6542 B9R0.24 COC(C)CNC(=O)CS Amb27656573 [0,1,0,0,0,1|1,1,0]=4 6543 B9R0.24 C\C=C(/C)CNC(=O)OC Amb28346258 [0,1,0,0,0,1|0,0,2]=4 6544 B9R0.24 [C-]#[N+]C(C)CNC(=O)OC Amb27193602 [0,1,0,0,0,1|1,0,1]=4 6545 B9R0.42 C=C(C)C(N)CC(C)CC Amb28064517 [0,1,0,0,0,1|2,0,0]=4 6546 B9R0.42 C=C(CC(C)CC)C(=O)O Amb27794839 [0,1,0,0,0,1|0,0,0]=2 6547 B9R0.42 C=C(CC(O)CC)C(=O)O Amb27427164 [0,1,0,0,0,1|1,0,0]=3 6548 B9R0.42 C=C(CC(O)CO)C(=O)O Amb28050042 [0,1,0,0,0,1|2,0,0]=4 6549 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [0,1,0,0,0,1|0,0,2]=4 6550 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [0,1,0,0,0,1|0,0,2]=4 6551 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [0,1,0,0,0,1|0,0,2]=4 6552 B9R0.42 C=C(C[C@@H](C)CC)C(C)=O Amb26853718 [0,1,0,0,0,1|1,0,0]=3 6553 B9R0.42 C=CC(C)C[C@H](C)C(=O)O Amb27788729 [0,1,0,0,0,1|0,0,2]=4 6554 B9R0.42 C=CC(C)O[C@H](C)C(=O)O Amb27863058 [0,1,0,0,0,1|0,0,2]=4 6555 B9R0.42 C=CC(C)SC(C)C(=O)O Amb18310581 [0,1,0,0,0,1|0,0,2]=4 6556 B9R0.42 CC(=O)C(C)OC(C)CN Amb18110684 [0,1,0,0,0,1|2,0,0]=4 6557 B9R0.42 CC(C#N)CC(N)C(=O)O Amb25262927 [0,1,0,0,0,1|1,0,1]=4 6558 B9R0.42 CC(C#N)C[C@@H](N)C(=O)O Amb33127539 [0,1,0,0,0,1|1,0,1]=4 6559 B9R0.42 CC(C#N)C[C@H](N)C(=O)O Amb33036873 [0,1,0,0,0,1|1,0,1]=4 6560 B9R0.42 CC(C#N)O[C@H](C)C(=O)O Amb27847636 [0,1,0,0,0,1|1,0,1]=4 6561 B9R0.42 CC(CF)CC(N)C(=O)O Amb27838056 [0,1,0,0,0,1|1,0,0]=3 6562 B9R0.42 CC(CN)NC(=O)C(=O)O Amb28340502 [0,1,0,0,0,1|1,0,1]=4 6563 B9R0.42 CC(CN)NC(C)C(N)=O Amb27839468 [0,1,0,0,0,1|2,0,0]=4 6564 B9R0.42 CC(CO)CC(C)C(=O)O Amb27838009 [0,1,0,0,0,1|1,0,0]=3 6565 B9R0.42 CC(CO)CC(N)C(=O)O Amb25147300 [0,1,0,0,0,1|1,0,0]=3 6566 B9R0.42 CC(CO)CC(N)C(N)=O Amb32787927 [0,1,0,0,0,1|2,0,0]=4 6567 B9R0.42 CC(CO)C[C@@H](N)C(=O)O Amb33036727 [0,1,0,0,0,1|1,0,0]=3 6568 B9R0.42 CC(CO)C[C@H](N)C(=O)O Amb32865934 [0,1,0,0,0,1|1,0,0]=3 6569 B9R0.42 CC(CO)NC(C)C(N)=O Amb9360038 [0,1,0,0,0,1|2,0,0]=4 6570 B9R0.42 CC(CO)OC(C)C(=O)O Amb27664032 [0,1,0,0,0,1|1,0,0]=3 6571 B9R0.42 CC(CO)O[C@@H](C)C(=O)O Amb28255959 [0,1,0,0,0,1|1,0,0]=3 6572 B9R0.42 CC(CO)O[C@H](C)C(=O)O Amb27450794 [0,1,0,0,0,1|1,0,0]=3 6573 B9R0.42 CC(CO)SC(C)C(N)=O Amb27664026 [0,1,0,0,0,1|2,0,0]=4 6574 B9R0.42 CC(CO)SC(F)C(=O)O Amb28205607 [0,1,0,0,0,1|1,0,0]=3 6575 B9R0.42 CC(C[C@H](N)CS)C(=O)O Amb27981242 [0,1,0,0,0,1|2,0,0]=4 6576 B9R0.42 CC(N[C@@H](C)CF)C(N)=O Amb28315959 [0,1,0,0,0,1|2,0,0]=4 6577 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,1,0,0,0,1|1,0,1]=4 6578 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,1,0,0,0,1|1,0,1]=4 6579 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,1,0,0,0,1|1,0,1]=4 6580 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,1,0,0,0,1|1,0,1]=4 6581 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,1,0,0,0,1|1,0,1]=4 6582 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,1,0,0,0,1|1,0,1]=4 6583 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,1,0,0,0,1|1,0,1]=4 6584 B9R0.42 CCC(C)CC(=O)C(=O)O Amb27600368 [0,1,0,0,0,1|0,0,0]=2 6585 B9R0.42 CCC(C)CC(=O)C(C)O Amb27174638 [0,1,0,0,0,1|1,0,1]=4 6586 B9R0.42 CCC(C)CC(Br)C(C)=O Amb27224857 [0,1,0,0,0,1|1,0,0]=3 6587 B9R0.42 CCC(C)CC(C)C(=O)O Amb22228338 [0,1,0,0,0,1|0,0,0]=2 6588 B9R0.42 CCC(C)CC(C)C(C)O Amb24478003 [0,1,0,0,0,1|1,0,1]=4 6589 B9R0.42 CCC(C)CC(Cl)C(=O)O Amb28050903 [0,1,0,0,0,1|0,0,0]=2 6590 B9R0.42 CCC(C)CC(Cl)C(N)=O Amb27669368 [0,1,0,0,0,1|1,0,0]=3 6591 B9R0.42 CCC(C)CC(N)C(=O)O Amb18313985 [0,1,0,0,0,1|0,0,0]=2 6592 B9R0.42 CCC(C)CC(N)C(=O)O Amb20667726 [0,1,0,0,0,1|0,0,0]=2 6593 B9R0.42 CCC(C)CC(N)C(N)=O Amb26989566 [0,1,0,0,0,1|1,0,0]=3 6594 B9R0.42 CCC(C)CC(O)C(=O)O Amb25849308 [0,1,0,0,0,1|0,0,0]=2 6595 B9R0.42 CCC(C)CC(S)C(=O)O Amb18798152 [0,1,0,0,0,1|0,0,0]=2 6596 B9R0.42 CCC(C)CN(C)C(=N)N Amb8926740 [0,1,0,0,0,1|2,0,0]=4 6597 B9R0.42 CCC(C)CN(C)C(=O)Cl Amb27837817 [0,1,0,0,0,1|1,0,0]=3 6598 B9R0.42 CCC(C)C[C@@H](C)C(=O)O Amb33727258 [0,1,0,0,0,1|0,0,0]=2 6599 B9R0.42 CCC(C)C[C@@H](N)C(=O)O Amb25127143 [0,1,0,0,0,1|0,0,0]=2 6600 B9R0.42 CCC(C)C[C@H](C)C(=O)O Amb33743264 [0,1,0,0,0,1|0,0,0]=2 6601 B9R0.42 CCC(C)C[C@H](N)C(=O)O Amb27471067 [0,1,0,0,0,1|0,0,0]=2 6602 B9R0.42 CCC(C)C[C@H](N)C(N)=O Amb27429524 [0,1,0,0,0,1|1,0,0]=3 6603 B9R0.42 CCC(C)NC(=O)C(=O)O Amb9303796 [0,1,0,0,0,1|0,0,1]=3 6604 B9R0.42 CCC(C)NC(=O)C(C)=O Amb17399880 [0,1,0,0,0,1|1,0,1]=4 6605 B9R0.42 CCC(C)NC(=O)C(N)=O Amb28050528 [0,1,0,0,0,1|1,0,1]=4 6606 B9R0.42 CCC(C)NC(C)C(N)=O Amb9203258 [0,1,0,0,0,1|1,0,0]=3 6607 B9R0.42 CCC(C)N[C@@H](C)C(=O)O Amb25691180 [0,1,0,0,0,1|0,0,0]=2 6608 B9R0.42 CCC(C)OC(=O)C(C)=O Amb28198630 [0,1,0,0,0,1|1,0,1]=4 6609 B9R0.42 CCC(C)OC(=O)C(N)=O Amb27216908 [0,1,0,0,0,1|1,0,1]=4 6610 B9R0.42 CCC(C)O[C@@H](C)C(=O)O Amb27395318 [0,1,0,0,0,1|0,0,0]=2 6611 B9R0.42 CCC(C)O[C@H](C)C(=O)O Amb27495202 [0,1,0,0,0,1|0,0,0]=2 6612 B9R0.42 CCC(C)SC(C)C(N)=O Amb18800585 [0,1,0,0,0,1|1,0,0]=3 6613 B9R0.42 CCC(C)SC(F)C(=O)O Amb27272834 [0,1,0,0,0,1|0,0,0]=2 6614 B9R0.42 CCC(C)\C=C(/C)C(=O)O Amb18643945 [0,1,0,0,0,1|0,0,1]=3 6615 B9R0.42 CCC(C)\C=C(\C)C(=O)O Amb27837721 [0,1,0,0,0,1|0,0,1]=3 6616 B9R0.42 CCC(N)CC(N)C(=O)O Amb27205091 [0,1,0,0,0,1|1,0,0]=3 6617 B9R0.42 CCC(O)CC(C)C(=O)O Amb28348984 [0,1,0,0,0,1|1,0,0]=3 6618 B9R0.42 CCC(O)CC(Cl)C(=O)O Amb28244776 [0,1,0,0,0,1|1,0,0]=3 6619 B9R0.42 CCC(O)CC(N)C(=O)O Amb24117068 [0,1,0,0,0,1|1,0,0]=3 6620 B9R0.42 CCC(O)CC(N)C(N)=O Amb33308821 [0,1,0,0,0,1|2,0,0]=4 6621 B9R0.42 CCC(O)CC(O)C(=O)O Amb28050169 [0,1,0,0,0,1|1,0,0]=3 6622 B9R0.42 CCC(O)C[C@@H](N)C(=O)O Amb33065603 [0,1,0,0,0,1|1,0,0]=3 6623 B9R0.42 CCC(O)C[C@H](N)C(=O)O Amb24759913 [0,1,0,0,0,1|1,0,0]=3 6624 B9R0.42 CCN(C)CC(C)C(=O)O Amb8428202 [0,1,0,0,0,1|1,0,0]=3 6625 B9R0.42 CCN(C)CC(C)C(=O)O Amb9173364 [0,1,0,0,0,1|1,0,0]=3 6626 B9R0.42 CCN(C)CC(N)C(=O)O Amb27478110 [0,1,0,0,0,1|1,0,0]=3 6627 B9R0.42 CCN(C)CC(N)C(N)=O Amb27768725 [0,1,0,0,0,1|2,0,0]=4 6628 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,1,0,0,0,1|2,0,0]=4 6629 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [0,1,0,0,0,1|2,0,0]=4 6630 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [0,1,0,0,0,1|2,0,0]=4 6631 B9R0.42 CCS(=O)NC(C)C(=O)O Amb28319239 [0,1,0,0,0,1|2,0,0]=4 6632 B9R0.42 CCS(=O)N[C@@H](C)C(=O)O Amb27243800 [0,1,0,0,0,1|2,0,0]=4 6633 B9R0.42 CC[C@@H](C)C[C@@H](C)C(=O)O Amb28248596 [0,1,0,0,0,1|0,0,0]=2 6634 B9R0.42 CC[C@@H](C)C[C@H](O)C(=O)O Amb27770344 [0,1,0,0,0,1|0,0,0]=2 6635 B9R0.42 CC[C@H](C)CC(=O)C(=O)O Amb27473360 [0,1,0,0,0,1|0,0,0]=2 6636 B9R0.42 CC[C@H](C)CC(C)C(=O)O Amb27770364 [0,1,0,0,0,1|0,0,0]=2 6637 B9R0.42 CC[C@H](C)CC(N)C(=O)O Amb28364291 [0,1,0,0,0,1|0,0,0]=2 6638 B9R0.42 CC[C@H](C)C[C@H](C)C(=O)O Amb27472997 [0,1,0,0,0,1|0,0,0]=2 6639 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb25662528 [0,1,0,0,0,1|0,0,0]=2 6640 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O Amb33620552 [0,1,0,0,0,1|0,0,0]=2 6641 B9R0.42 CC[C@H](C)\C=C(/C)C(=O)O Amb27831923 [0,1,0,0,0,1|0,0,1]=3 6642 B9R0.42 CC[C@H](C)\C=C(/C)C(C)=O Amb24586848 [0,1,0,0,0,1|1,0,1]=4 6643 B9R0.42 COC(C)CC(=O)C(=O)O Amb27614317 [0,1,0,0,0,1|1,0,0]=3 6644 B9R0.42 COC(C)CC(C)C(C)=O Amb27841945 [0,1,0,0,0,1|2,0,0]=4 6645 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [0,1,0,0,0,1|1,0,0]=3 6646 B9R0.42 COC(C)CC(N)C(N)=O Amb25349298 [0,1,0,0,0,1|2,0,0]=4 6647 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [0,1,0,0,0,1|1,0,0]=3 6648 B9R0.42 COC(C)CN(C)C(=O)Cl Amb33296838 [0,1,0,0,0,1|2,0,0]=4 6649 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [0,1,0,0,0,1|1,0,0]=3 6650 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [0,1,0,0,0,1|1,0,0]=3 6651 B9R0.42 COC(C)\C=C(\C)C(=O)O Amb27432877 [0,1,0,0,0,1|1,0,1]=4 6652 B9R0.42 CSC(C)C[C@H](N)C(=O)O Amb28208334 [0,1,0,0,0,1|1,0,0]=3 6653 B9R0.42 CS[C@@H](C)C[C@@H](N)C(=O)O Amb27755570 [0,1,0,0,0,1|1,0,0]=3 6654 B9R0.42 C[C@@H](CN)NC(=O)C(=O)O Amb28316025 [0,1,0,0,0,1|1,0,1]=4 6655 B9R0.42 C[C@@H](CO)C[C@@H](N)C(=O)O Amb27398331 [0,1,0,0,0,1|1,0,0]=3 6656 B9R0.42 C[C@@H](CO)NC(=O)C(=O)O Amb28049727 [0,1,0,0,0,1|1,0,1]=4 6657 B9R0.42 C[C@@H](C[C@@H](O)CN)C(=O)O Amb27768864 [0,1,0,0,0,1|2,0,0]=4 6658 B9R0.42 C[C@H](CO)C[C@H](N)C(=O)O Amb27625117 [0,1,0,0,0,1|1,0,0]=3 6659 B9R0.42 C[C@H](C[C@@H](O)CN)C(=O)O Amb27169198 [0,1,0,0,0,1|2,0,0]=4 6660 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,1,0,0,0,1|0,0,2]=4 6661 B9R0.42 NC(CC(F)CO)C(=O)O Amb27632459 [0,1,0,0,0,1|2,0,0]=4 6662 B9R0.42 NC(CC(O)CF)C(=O)O Amb33065776 [0,1,0,0,0,1|2,0,0]=4 6663 B9R0.42 NC(CC(O)CO)C(=O)O Amb18644388 [0,1,0,0,0,1|2,0,0]=4 6664 B9R0.42 NC(CC(O)CO)C(=O)O Amb24117285 [0,1,0,0,0,1|2,0,0]=4 6665 B9R0.42 NCC(F)C[C@H](N)C(=O)O Amb28126719 [0,1,0,0,0,1|2,0,0]=4 6666 B9R0.42 NCC(O)CC(N)C(=O)O Amb30988061 [0,1,0,0,0,1|2,0,0]=4 6667 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [0,1,0,0,0,1|2,0,0]=4 6668 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [0,1,0,0,0,1|2,0,0]=4 6669 B9R0.42 N[C@@H](CC(O)CCl)C(=O)O Amb27837835 [0,1,0,0,0,1|2,0,0]=4 6670 B9R0.42 N[C@@H](CC(O)CF)C(=O)O Amb33036578 [0,1,0,0,0,1|2,0,0]=4 6671 B9R0.42 N[C@@H](CC(O)CO)C(=O)O Amb25870815 [0,1,0,0,0,1|2,0,0]=4 6672 B9R0.42 N[C@H](CC(O)CF)C(=O)O Amb32796094 [0,1,0,0,0,1|2,0,0]=4 6673 B9R0.42 N[C@H](CC(O)CO)C(=O)O Amb33036156 [0,1,0,0,0,1|2,0,0]=4 6674 B9R0.42 O=C(O)C(=O)C[C@H](O)CO Amb26605764 [0,1,0,0,0,1|2,0,0]=4 6675 B9R0.42 O=C(O)C(Br)CC(Br)CCl Amb28315583 [0,1,0,0,0,1|2,0,0]=4 6676 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [0,1,0,0,0,1|2,0,0]=4 6677 B9R0.43 C#CC(CC)CCC(N)=O Amb27960862 [0,1,0,0,0,1|1,0,1]=4 6678 B9R0.43 C#CC(CC)NCC(=O)O Amb28453722 [0,1,0,0,0,1|0,0,1]=3 6679 B9R0.43 C#CC(CC)NCC(N)=O Amb27232404 [0,1,0,0,0,1|1,0,1]=4 6680 B9R0.43 C=C(Br)CNC(CC)CC Amb28049320 [0,1,0,0,0,1|2,0,0]=4 6681 B9R0.43 C=C(Br)CSC(CC)CC Amb28400585 [0,1,0,0,0,1|2,0,0]=4 6682 B9R0.43 C=C(C)CCC(CC)CC Amb28134762 [0,1,0,0,0,1|2,0,0]=4 6683 B9R0.43 C=C(C)CCC(CC)NC Amb27458876 [0,1,0,0,0,1|2,0,0]=4 6684 B9R0.43 C=C(C)CSC(CC)CC Amb28281616 [0,1,0,0,0,1|2,0,0]=4 6685 B9R0.43 C=C(Cl)CNC(CC)CO Amb18800732 [0,1,0,0,0,1|2,0,0]=4 6686 B9R0.43 C=C[C@@H](CO)SCC(=O)O Amb27634822 [0,1,0,0,0,1|0,0,2]=4 6687 B9R0.43 CC(=O)OCC(CO)CO Amb27839393 [0,1,0,0,0,1|2,0,0]=4 6688 B9R0.43 CC(=O)SCC(CN)CN Amb28995117 [0,1,0,0,0,1|2,0,0]=4 6689 B9R0.43 CCC(C#CC(=O)O)CC Amb27982193 [0,1,0,0,0,1|0,0,1]=3 6690 B9R0.43 CCC(C#CC(=O)O)SC Amb33169062 [0,1,0,0,0,1|0,0,1]=3 6691 B9R0.43 CCC(C#N)CCC(=O)O Amb18643712 [0,1,0,0,0,1|0,0,1]=3 6692 B9R0.43 CCC(C#N)CCC(C)=O Amb18643428 [0,1,0,0,0,1|1,0,1]=4 6693 B9R0.43 CCC(C#N)NCC(N)=O Amb27787632 [0,1,0,0,0,1|1,0,1]=4 6694 B9R0.43 CCC(C#N)OCC(=O)O Amb27426226 [0,1,0,0,0,1|0,0,1]=3 6695 B9R0.43 CCC(C#N)SCC(=O)O Amb18182420 [0,1,0,0,0,1|0,0,1]=3 6696 B9R0.43 CCC(C=O)CCC(C)=O Amb18643911 [0,1,0,0,0,1|1,0,1]=4 6697 B9R0.43 CCC(C=O)COC(C)=O Amb28321979 [0,1,0,0,0,1|1,0,1]=4 6698 B9R0.43 CCC(CBr)CCS(C)=O Amb25292711 [0,1,0,0,0,1|2,0,0]=4 6699 B9R0.43 CCC(CBr)COC(C)=O Amb27831455 [0,1,0,0,0,1|1,0,0]=3 6700 B9R0.43 CCC(CC)CCC(=O)Cl Amb28421704 [0,1,0,0,0,1|1,0,0]=3 6701 B9R0.43 CCC(CC)CCC(=O)O Amb27462787 [0,1,0,0,0,1|0,0,0]=2 6702 B9R0.43 CCC(CC)CCC(C)=O Amb26444168 [0,1,0,0,0,1|1,0,0]=3 6703 B9R0.43 CCC(CC)CCC(C)O Amb4017702 [0,1,0,0,0,1|1,0,1]=4 6704 B9R0.43 CCC(CC)CC[C@@H](C)O Amb28350101 [0,1,0,0,0,1|1,0,1]=4 6705 B9R0.43 CCC(CC)CC[C@H](C)O Amb33313780 [0,1,0,0,0,1|1,0,1]=4 6706 B9R0.43 CCC(CC)CC[N+](=O)[O-] Amb33313764 [0,1,0,0,0,1|1,0,1]=4 6707 B9R0.43 CCC(CC)CNC(C)=N Amb27834251 [0,1,0,0,0,1|2,0,0]=4 6708 B9R0.43 CCC(CC)CNC(C)=O Amb27814537 [0,1,0,0,0,1|1,0,0]=3 6709 B9R0.43 CCC(CC)CNC(N)=S Amb28067482 [0,1,0,0,0,1|1,1,0]=4 6710 B9R0.43 CCC(CC)COC(=O)Cl Amb25142812 [0,1,0,0,0,1|1,0,0]=3 6711 B9R0.43 CCC(CC)COC(C)=O Amb2687794 [0,1,0,0,0,1|1,0,0]=3 6712 B9R0.43 CCC(CC)COC(N)=O Amb28050143 [0,1,0,0,0,1|1,0,0]=3 6713 B9R0.43 CCC(CC)CSC(=N)N Amb27595645 [0,1,0,0,0,1|2,0,0]=4 6714 B9R0.43 CCC(CC)NCC(C)O Amb9359502 [0,1,0,0,0,1|1,0,1]=4 6715 B9R0.43 CCC(CC)NC[C@H](C)O Amb27945337 [0,1,0,0,0,1|1,0,1]=4 6716 B9R0.43 CCC(CC)OCC(=N)N Amb27474312 [0,1,0,0,0,1|2,0,0]=4 6717 B9R0.43 CCC(CC)OCC(=O)O Amb28051262 [0,1,0,0,0,1|0,0,0]=2 6718 B9R0.43 CCC(CC)ONC(C)=O Amb27452962 [0,1,0,0,0,1|2,0,0]=4 6719 B9R0.43 CCC(CC)SCC(=O)O Amb28182473 [0,1,0,0,0,1|0,0,0]=2 6720 B9R0.43 CCC(CC)SCC(C)O Amb27424930 [0,1,0,0,0,1|1,0,1]=4 6721 B9R0.43 CCC(CCC(=O)O)NC Amb27230822 [0,1,0,0,0,1|0,0,0]=2 6722 B9R0.43 CCC(CCC(=O)O)OC Amb26936159 [0,1,0,0,0,1|0,0,0]=2 6723 B9R0.43 CCC(CCC(C)=O)OC Amb26981457 [0,1,0,0,0,1|1,0,0]=3 6724 B9R0.43 CCC(CCC(C)O)OC Amb28050767 [0,1,0,0,0,1|1,0,1]=4 6725 B9R0.43 CCC(CC[C@@H](C)O)OC Amb33325784 [0,1,0,0,0,1|1,0,1]=4 6726 B9R0.43 CCC(CC[C@H](C)O)OC Amb33325785 [0,1,0,0,0,1|1,0,1]=4 6727 B9R0.43 CCC(CC[N+](=O)[O-])OC Amb33325771 [0,1,0,0,0,1|1,0,1]=4 6728 B9R0.43 CCC(CCl)CCS(C)=O Amb24617545 [0,1,0,0,0,1|2,0,0]=4 6729 B9R0.43 CCC(CNC(C)=N)OC Amb28292060 [0,1,0,0,0,1|2,0,0]=4 6730 B9R0.43 CCC(CNC(N)=O)OC Amb28184895 [0,1,0,0,0,1|1,0,0]=3 6731 B9R0.43 CCC(CO)CCC(C)=O Amb8395984 [0,1,0,0,0,1|1,0,0]=3 6732 B9R0.43 CCC(CO)CCC(C)O Amb8395987 [0,1,0,0,0,1|1,0,1]=4 6733 B9R0.43 CCC(CO)CCS(C)=O Amb27874513 [0,1,0,0,0,1|2,0,0]=4 6734 B9R0.43 CCC(CO)NCC(C)O Amb27399907 [0,1,0,0,0,1|1,0,1]=4 6735 B9R0.43 CCC(COC(C)=O)OC Amb24323241 [0,1,0,0,0,1|1,0,0]=3 6736 B9R0.43 CCC(OC)OCC(=O)O Amb33341549 [0,1,0,0,0,1|0,0,0]=2 6737 B9R0.43 CCC(\C=C\C(=O)O)CC Amb24375784 [0,1,0,0,0,1|0,0,1]=3 6738 B9R0.43 CCC(\C=C\C(=O)O)OC Amb33326095 [0,1,0,0,0,1|0,0,1]=3 6739 B9R0.43 CCC(\C=C\C(C)=O)CC Amb26977622 [0,1,0,0,0,1|1,0,1]=4 6740 B9R0.43 CCC(\C=C\C(C)=O)OC Amb33326146 [0,1,0,0,0,1|1,0,1]=4 6741 B9R0.43 CCN(CC)CCC(=O)O Amb6651899 [0,1,0,0,0,1|1,0,0]=3 6742 B9R0.43 CCN(CC)CCC(=O)O Amb8513118 [0,1,0,0,0,1|1,0,0]=3 6743 B9R0.43 CCN(CC)CCC(C)=O Amb965734 [0,1,0,0,0,1|2,0,0]=4 6744 B9R0.43 CCN(CC)CCC(N)=O Amb17231985 [0,1,0,0,0,1|2,0,0]=4 6745 B9R0.43 CCN(CC)COS(=O)O Amb27423909 [0,1,0,0,0,1|2,0,0]=4 6746 B9R0.43 CCP(CC)CCC(C)=O Amb27267092 [0,1,0,0,0,1|2,0,0]=4 6747 B9R0.43 CCP(CC)CCC(N)=O Amb28399366 [0,1,0,0,0,1|2,0,0]=4 6748 B9R0.43 CC[C@H](C=O)CCC(C)=O Amb24573990 [0,1,0,0,0,1|1,0,1]=4 6749 B9R0.43 CC\C(CCC(=O)O)=N/O Amb27459310 [0,1,0,0,0,1|1,0,1]=4 6750 B9R0.43 CNC(=NCC(=O)O)NC Amb24478941 [0,1,0,0,0,1|1,0,1]=4 6751 B9R0.43 COC(C#CC(=O)O)OC Amb27769936 [0,1,0,0,0,1|1,0,1]=4 6752 B9R0.43 COC(CCC(=O)O)OC Amb24657204 [0,1,0,0,0,1|1,0,0]=3 6753 B9R0.43 COC(CCl)COC(C)=O Amb27205285 [0,1,0,0,0,1|2,0,0]=4 6754 B9R0.43 COC(CNC(C)=O)OC Amb10808671 [0,1,0,0,0,1|2,0,0]=4 6755 B9R0.43 COC(CNC(N)=O)OC Amb16244926 [0,1,0,0,0,1|2,0,0]=4 6756 B9R0.43 COC(CO)COC(C)=O Amb27838147 [0,1,0,0,0,1|2,0,0]=4 6757 B9R0.43 COC(OC)OCC(=O)O Amb33340630 [0,1,0,0,0,1|1,0,0]=3 6758 B9R0.43 CO[C@@H](CO)COC(C)=O Amb27874052 [0,1,0,0,0,1|2,0,0]=4 6759 B9R0.43 CSC(=NCC(=O)O)SC Amb28118980 [0,1,0,0,0,1|1,0,1]=4 6760 B9R0.43 C\C=C(/C=C/C(=O)O)CC Amb28315773 [0,1,0,0,0,1|0,0,2]=4 6761 B9R0.43 C\C=C(/CC)CCC(C)=O Amb25857597 [0,1,0,0,0,1|1,0,1]=4 6762 B9R0.43 C\C=C(\C=C\C(=O)O)CC Amb18643591 [0,1,0,0,0,1|0,0,2]=4 6763 B9R0.43 O=C(O)CSC(CS)CS Amb27400350 [0,1,0,0,0,1|1,0,0]=3 6764 B9R0.48 C#CCN(C)CCC(=O)O Amb17561257 [0,1,0,0,0,1|1,0,1]=4 6765 B9R0.48 C=C(Br)CNC(C)CCC Amb27410926 [0,1,0,0,0,1|2,0,0]=4 6766 B9R0.48 C=C(Br)CNC(C)COC Amb27961048 [0,1,0,0,0,1|2,0,0]=4 6767 B9R0.48 C=C(Br)CNC(C)CSC Amb27455428 [0,1,0,0,0,1|2,0,0]=4 6768 B9R0.48 C=C(Br)COC(C)CNC Amb28140115 [0,1,0,0,0,1|2,0,0]=4 6769 B9R0.48 C=C(CCC)CCC(=O)O Amb27475552 [0,1,0,0,0,1|0,0,2]=4 6770 B9R0.48 C=C(Cl)CNC(C)CCO Amb27872964 [0,1,0,0,0,1|2,0,0]=4 6771 B9R0.48 C=C(Cl)COC(C)CNC Amb18798257 [0,1,0,0,0,1|2,0,0]=4 6772 B9R0.48 C=C(Cl)CSC(C)CCN Amb27808886 [0,1,0,0,0,1|2,0,0]=4 6773 B9R0.48 C=C(Cl)CSC(C)COC Amb27479582 [0,1,0,0,0,1|2,0,0]=4 6774 B9R0.48 C=CCC(C)CCC(=O)O Amb27605823 [0,1,0,0,0,1|0,0,1]=3 6775 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [0,1,0,0,0,1|1,0,1]=4 6776 B9R0.48 CC(=O)CCC(C)CCN Amb27426882 [0,1,0,0,0,1|1,0,0]=3 6777 B9R0.48 CC(=O)CC[C@@H](C)CCO Amb27944575 [0,1,0,0,0,1|1,0,0]=3 6778 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [0,1,0,0,0,1|1,0,1]=4 6779 B9R0.48 CC(=O)CSC(C)CCO Amb27875971 [0,1,0,0,0,1|1,0,0]=3 6780 B9R0.48 CC(=O)NCC(C)CCBr Amb27851099 [0,1,0,0,0,1|1,0,0]=3 6781 B9R0.48 CC(=O)NCC(C)CCCl Amb27162325 [0,1,0,0,0,1|1,0,0]=3 6782 B9R0.48 CC(=O)NCC(C)CCO Amb28364911 [0,1,0,0,0,1|1,0,0]=3 6783 B9R0.48 CC(=O)OCC(C)CC=O Amb18644137 [0,1,0,0,0,1|1,0,1]=4 6784 B9R0.48 CC(=O)OC[C@H](C)CCO Amb27753095 [0,1,0,0,0,1|1,0,0]=3 6785 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [0,1,0,0,0,1|0,0,1]=3 6786 B9R0.48 CC(CCC(=O)O)N=C=O Amb33471389 [0,1,0,0,0,1|1,0,1]=4 6787 B9R0.48 CC(CCC(=O)O)N=C=S Amb33471622 [0,1,0,0,0,1|1,0,1]=4 6788 B9R0.48 CC(CCCl)CCC(=O)O Amb27834348 [0,1,0,0,0,1|0,0,0]=2 6789 B9R0.48 CC(CCN)CCC(=O)O Amb18124749 [0,1,0,0,0,1|0,0,0]=2 6790 B9R0.48 CC(CCN)CCC(N)=O Amb19515543 [0,1,0,0,0,1|1,0,0]=3 6791 B9R0.48 CC(CCN)CNC(N)=O Amb27455693 [0,1,0,0,0,1|1,0,0]=3 6792 B9R0.48 CC(CCN)SCC(=O)O Amb27244497 [0,1,0,0,0,1|0,0,0]=2 6793 B9R0.48 CC(CCN)SCC(N)=O Amb27234451 [0,1,0,0,0,1|1,0,0]=3 6794 B9R0.48 CC(CCO)NCC(=O)O Amb27174877 [0,1,0,0,0,1|0,0,0]=2 6795 B9R0.48 CC(CCO)NCC(N)=O Amb27857723 [0,1,0,0,0,1|1,0,0]=3 6796 B9R0.48 CC(CCS)CCC(=O)O Amb28291582 [0,1,0,0,0,1|0,0,0]=2 6797 B9R0.48 CC(\C=C\C(=O)O)CCO Amb27646330 [0,1,0,0,0,1|0,0,1]=3 6798 B9R0.48 CCCC(=O)NCC(=O)O Amb5741675 [0,1,0,0,0,1|1,0,1]=4 6799 B9R0.48 CCCC(=O)OCC(=O)O Amb27655588 [0,1,0,0,0,1|1,0,1]=4 6800 B9R0.48 CCCC(=O)SCC(=O)O Amb27400351 [0,1,0,0,0,1|1,0,1]=4 6801 B9R0.48 CCCC(Br)CNC(C)=O Amb28146730 [0,1,0,0,0,1|2,0,0]=4 6802 B9R0.48 CCCC(C)C#CC(=O)O Amb27981033 [0,1,0,0,0,1|0,0,1]=3 6803 B9R0.48 CCCC(C)CCB(O)O Amb25104756 [0,1,0,0,0,1|1,0,1]=4 6804 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [0,1,0,0,0,1|0,0,0]=2 6805 B9R0.48 CCCC(C)CCC(C)=O Amb10807385 [0,1,0,0,0,1|1,0,0]=3 6806 B9R0.48 CCCC(C)CCC(C)O Amb26868390 [0,1,0,0,0,1|1,0,1]=4 6807 B9R0.48 CCCC(C)CC[C@@H](C)O Amb33321144 [0,1,0,0,0,1|1,0,1]=4 6808 B9R0.48 CCCC(C)CC[C@H](C)O Amb33321145 [0,1,0,0,0,1|1,0,1]=4 6809 B9R0.48 CCCC(C)CC[N+](=O)[O-] Amb33321108 [0,1,0,0,0,1|1,0,1]=4 6810 B9R0.48 CCCC(C)COC(C)=O Amb22735194 [0,1,0,0,0,1|1,0,0]=3 6811 B9R0.48 CCCC(C)NC[C@H](C)O Amb27442940 [0,1,0,0,0,1|1,0,1]=4 6812 B9R0.48 CCCC(C)OCC(=O)O Amb18124782 [0,1,0,0,0,1|0,0,0]=2 6813 B9R0.48 CCCC(C)OCC(C)=O Amb27444940 [0,1,0,0,0,1|1,0,0]=3 6814 B9R0.48 CCCC(C)OC[C@H](C)O Amb27424875 [0,1,0,0,0,1|1,0,1]=4 6815 B9R0.48 CCCC(C)SCC(C)=O Amb28280192 [0,1,0,0,0,1|1,0,0]=3 6816 B9R0.48 CCCC(C)\C=C\C(=O)O Amb33474963 [0,1,0,0,0,1|0,0,1]=3 6817 B9R0.48 CCCC(C)\C=C\C(C)=O Amb24686480 [0,1,0,0,0,1|1,0,1]=4 6818 B9R0.48 CCCC(Cl)CCC(=O)Cl Amb27831367 [0,1,0,0,0,1|2,0,0]=4 6819 B9R0.48 CCCC(N)C#CC(=O)O Amb33168957 [0,1,0,0,0,1|1,0,1]=4 6820 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [0,1,0,0,0,1|1,0,0]=3 6821 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [0,1,0,0,0,1|1,0,0]=3 6822 B9R0.48 CCCC(O)CCC(=O)[O-] Amb17778117 [0,1,0,0,0,1|1,0,1]=4 6823 B9R0.48 CCCC(O)CCC(=O)[O-] Amb2386295 [0,1,0,0,0,1|1,0,1]=4 6824 B9R0.48 CCCC(O)COC(C)=O Amb27945320 [0,1,0,0,0,1|2,0,0]=4 6825 B9R0.48 CCCC(O)\C=C\C(=O)O Amb27790698 [0,1,0,0,0,1|1,0,1]=4 6826 B9R0.48 CCCN(C)CCC(=O)O Amb33546079 [0,1,0,0,0,1|1,0,0]=3 6827 B9R0.48 CCCN(C)CCC(=O)O Amb8899165 [0,1,0,0,0,1|1,0,0]=3 6828 B9R0.48 CCCN(C)CCC(N)=O Amb27454732 [0,1,0,0,0,1|2,0,0]=4 6829 B9R0.48 CCCN(O)CCC(=O)O Amb27196070 [0,1,0,0,0,1|2,0,0]=4 6830 B9R0.48 CCCS(=O)CCC(=O)O Amb18792575 [0,1,0,0,0,1|2,0,0]=4 6831 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [0,1,0,0,0,1|1,0,0]=3 6832 B9R0.48 CCC[C@@H](O)\C=C\C(=O)O Amb27961045 [0,1,0,0,0,1|1,0,1]=4 6833 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [0,1,0,0,0,1|0,0,0]=2 6834 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [0,1,0,0,0,1|1,0,0]=3 6835 B9R0.48 CCC[C@H](O)CCC(N)=O Amb27765010 [0,1,0,0,0,1|2,0,0]=4 6836 B9R0.48 CCNC(=O)CCC(=O)O Amb2967295 [0,1,0,0,0,1|1,0,1]=4 6837 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [0,1,0,0,0,1|1,0,1]=4 6838 B9R0.48 CCNC(=O)OCC(=O)O Amb27173452 [0,1,0,0,0,1|1,0,1]=4 6839 B9R0.48 CCNC(=S)NCC(=O)O Amb25857780 [0,1,0,0,0,1|1,0,1]=4 6840 B9R0.48 CCNC(=S)OCC(=O)O Amb28343116 [0,1,0,0,0,1|1,0,1]=4 6841 B9R0.48 CCN[C@@H](C)CNC(C)=O Amb28137826 [0,1,0,0,0,1|1,0,0]=3 6842 B9R0.48 CCN[C@@H](C)CNS(C)=O Amb28063025 [0,1,0,0,0,1|2,0,0]=4 6843 B9R0.48 CCN[C@H](C)CNC(C)=O Amb27267319 [0,1,0,0,0,1|1,0,0]=3 6844 B9R0.48 CCN[C@H](C)CNS(C)=O Amb28399486 [0,1,0,0,0,1|2,0,0]=4 6845 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,1,0,0,0,1|1,0,1]=4 6846 B9R0.48 CCOC(=O)NCC(=O)O Amb6246368 [0,1,0,0,0,1|1,0,1]=4 6847 B9R0.48 CCOC(=O)OCC(=O)O Amb25367281 [0,1,0,0,0,1|1,0,1]=4 6848 B9R0.48 CCOC(=S)NCC(=O)O Amb26481347 [0,1,0,0,0,1|1,0,1]=4 6849 B9R0.48 CCOC(=S)SCC(=O)O Amb4017675 [0,1,0,0,0,1|1,0,1]=4 6850 B9R0.48 CCOC(C)CCC(=O)O Amb24690847 [0,1,0,0,0,1|0,0,0]=2 6851 B9R0.48 CCOC(C)CCC(C)=O Amb27859467 [0,1,0,0,0,1|1,0,0]=3 6852 B9R0.48 CCOC(C)CCC(C)O Amb33425313 [0,1,0,0,0,1|1,0,1]=4 6853 B9R0.48 CCOC(C)CC[C@@H](C)O Amb33425310 [0,1,0,0,0,1|1,0,1]=4 6854 B9R0.48 CCOC(C)CC[C@H](C)O Amb33425312 [0,1,0,0,0,1|1,0,1]=4 6855 B9R0.48 CCOC(C)CC[N+](=O)[O-] Amb33425046 [0,1,0,0,0,1|1,0,1]=4 6856 B9R0.48 CCOC(C)CNC(C)=O Amb27174342 [0,1,0,0,0,1|1,0,0]=3 6857 B9R0.48 CCOC(C)CNC(N)=S Amb27477715 [0,1,0,0,0,1|1,1,0]=4 6858 B9R0.48 CCOC(C)COC(C)=O Amb25959518 [0,1,0,0,0,1|1,0,0]=3 6859 B9R0.48 CCOC(C)OCC(=O)O Amb28126960 [0,1,0,0,0,1|0,0,0]=2 6860 B9R0.48 CCOC(C)\C=C\C(=O)O Amb33425399 [0,1,0,0,0,1|0,0,1]=3 6861 B9R0.48 CCOC(C)\C=C\C(C)=O Amb33424994 [0,1,0,0,0,1|1,0,1]=4 6862 B9R0.48 CCO\C(C)=C\CC(C)=O Amb27630467 [0,1,0,0,0,1|1,0,1]=4 6863 B9R0.48 CCSC(=S)SCC(=O)O Amb28385725 [0,1,0,0,0,1|1,0,1]=4 6864 B9R0.48 CCS\C(S)=N/CC(=O)O Amb21862600 [0,1,0,0,0,1|1,0,1]=4 6865 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [0,1,0,0,0,1|0,0,1]=3 6866 B9R0.48 CC\C=C(/C)CCC(C)=O Amb27464326 [0,1,0,0,0,1|1,0,1]=4 6867 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [0,1,0,0,0,1|0,0,1]=3 6868 B9R0.48 CN(CC#N)CCC(=O)O Amb17561163 [0,1,0,0,0,1|1,0,1]=4 6869 B9R0.48 CN(CCCl)CCC(=O)O Amb27949173 [0,1,0,0,0,1|1,0,0]=3 6870 B9R0.48 CN(CCN)CCC(=O)O Amb28382339 [0,1,0,0,0,1|1,0,0]=3 6871 B9R0.48 CN(CCO)CCC(=O)Cl Amb17142907 [0,1,0,0,0,1|2,0,0]=4 6872 B9R0.48 CN(CCO)CCC(=O)O Amb5774461 [0,1,0,0,0,1|1,0,0]=3 6873 B9R0.48 CN(CCO)CCC(N)=O Amb17142868 [0,1,0,0,0,1|2,0,0]=4 6874 B9R0.48 CNCC(=O)NCC(=O)O Amb19010138 [0,1,0,0,0,1|1,0,1]=4 6875 B9R0.48 CNCC(C)C#CC(=O)O Amb33169001 [0,1,0,0,0,1|0,0,1]=3 6876 B9R0.48 CNCC(C)CNC(N)=O Amb28049490 [0,1,0,0,0,1|1,0,0]=3 6877 B9R0.48 CNCC(O)CNC(C)=O Amb24577191 [0,1,0,0,0,1|2,0,0]=4 6878 B9R0.48 COCC(=O)CCC(=O)O Amb27797755 [0,1,0,0,0,1|1,0,1]=4 6879 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,1,0,0,0,1|1,0,1]=4 6880 B9R0.48 COCC(C)C#CC(=O)O Amb33168980 [0,1,0,0,0,1|0,0,1]=3 6881 B9R0.48 COCC(C)NCC(=O)O Amb33549979 [0,1,0,0,0,1|0,0,0]=2 6882 B9R0.48 COCC(C)NCC(=O)O Amb7766445 [0,1,0,0,0,1|0,0,0]=2 6883 B9R0.48 COCC(C)NCC(C)O Amb27197241 [0,1,0,0,0,1|1,0,1]=4 6884 B9R0.48 COCC(C)NC[C@H](C)O Amb27474135 [0,1,0,0,0,1|1,0,1]=4 6885 B9R0.48 COCC(C)NNC(C)=O Amb27254986 [0,1,0,0,0,1|2,0,0]=4 6886 B9R0.48 COCC(C)OCC(=N)N Amb27770576 [0,1,0,0,0,1|2,0,0]=4 6887 B9R0.48 COCC(C)OCC(=O)O Amb27807862 [0,1,0,0,0,1|0,0,0]=2 6888 B9R0.48 COCC(C)OCC(C)=O Amb27632346 [0,1,0,0,0,1|1,0,0]=3 6889 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [0,1,0,0,0,1|1,0,0]=3 6890 B9R0.48 COCC(Cl)CNC(C)=O Amb28049466 [0,1,0,0,0,1|2,0,0]=4 6891 B9R0.48 COCC(N)C#CC(=O)O Amb33168967 [0,1,0,0,0,1|1,0,1]=4 6892 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [0,1,0,0,0,1|1,0,0]=3 6893 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [0,1,0,0,0,1|1,0,0]=3 6894 B9R0.48 COC[C@@H](O)CNC(C)=O Amb27663283 [0,1,0,0,0,1|2,0,0]=4 6895 B9R0.48 CSCC(C)CNC(N)=S Amb27963373 [0,1,0,0,0,1|1,1,0]=4 6896 B9R0.48 CSCC(C)NCC(C)O Amb27424857 [0,1,0,0,0,1|1,0,1]=4 6897 B9R0.48 CSCC(C)NCC(N)=O Amb27865220 [0,1,0,0,0,1|1,0,0]=3 6898 B9R0.48 CSCC(N)C#CC(=O)O Amb33168963 [0,1,0,0,0,1|1,0,1]=4 6899 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [0,1,0,0,0,1|1,0,0]=3 6900 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [0,1,0,0,0,1|1,0,0]=3 6901 B9R0.48 CSSC(C)CCC(=O)O Amb27843301 [0,1,0,0,0,1|1,0,0]=3 6902 B9R0.48 C[C@@H](CC#N)CCC(=O)O Amb27950078 [0,1,0,0,0,1|0,0,1]=3 6903 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [0,1,0,0,0,1|0,0,0]=2 6904 B9R0.48 C[C@H](\C=C\C(=O)O)CCO Amb28050109 [0,1,0,0,0,1|0,0,1]=3 6905 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [0,1,0,0,0,1|0,0,2]=4 6906 B9R0.48 C\C=C\C(C)CNC(N)=O Amb22365219 [0,1,0,0,0,1|1,0,1]=4 6907 B9R0.48 C\C=C\C(C)\C=C/C(=O)O Amb27468642 [0,1,0,0,0,1|0,0,2]=4 6908 B9R0.48 NC(CCF)CCC(=O)O Amb33480872 [0,1,0,0,0,1|1,0,0]=3 6909 B9R0.48 NCCC(=O)NCC(=O)O Amb28555431 [0,1,0,0,0,1|1,0,1]=4 6910 B9R0.48 NCCC(=O)NCC(=O)O Amb4035945 [0,1,0,0,0,1|1,0,1]=4 6911 B9R0.48 NCCC(N)CCC(=O)O Amb27390542 [0,1,0,0,0,1|1,0,0]=3 6912 B9R0.48 N[C@H](CCS)CCC(=O)O Amb27857300 [0,1,0,0,0,1|1,0,0]=3 6913 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [0,1,0,0,0,1|1,0,0]=3 6914 B9R0.64 C#CC(C)(C)OCC(=O)O Amb27630706 [0,1,0,0,0,1|0,0,2]=4 6915 B9R0.64 C#CC(C)(O)CCC(=O)O Amb27168591 [0,1,0,0,0,1|0,0,2]=4 6916 B9R0.64 C=C(Br)CNC(C)(C)CC Amb19005213 [0,1,0,0,0,1|2,0,0]=4 6917 B9R0.64 C=C(Br)COC(C)(C)CC Amb27588857 [0,1,0,0,0,1|2,0,0]=4 6918 B9R0.64 C=C(C)CNC(C)(C)CC Amb27628332 [0,1,0,0,0,1|2,0,0]=4 6919 B9R0.64 C=C(Cl)CNC(C)(C)CC Amb18303281 [0,1,0,0,0,1|2,0,0]=4 6920 B9R0.64 C=CC(C)(C)CCC(=O)O Amb28429810 [0,1,0,0,0,1|0,0,2]=4 6921 B9R0.64 CC(=O)CCC(C)(C)CO Amb33200191 [0,1,0,0,0,1|2,0,0]=4 6922 B9R0.64 CC(=O)NCC(C)(C)CCl Amb28049432 [0,1,0,0,0,1|2,0,0]=4 6923 B9R0.64 CC(=O)NCC(C)(C)CN Amb25810145 [0,1,0,0,0,1|2,0,0]=4 6924 B9R0.64 CC(=O)SCC(C)(C)CO Amb27983021 [0,1,0,0,0,1|2,0,0]=4 6925 B9R0.64 CC(C)(C#N)CCC(=O)O Amb26858929 [0,1,0,0,0,1|1,0,1]=4 6926 B9R0.64 CC(C)(C#N)NCC(=O)O Amb25699825 [0,1,0,0,0,1|1,0,1]=4 6927 B9R0.64 CC(C)(C=O)CCC(=O)O Amb18644118 [0,1,0,0,0,1|1,0,1]=4 6928 B9R0.64 CC(C)(CN)CCC(=O)O Amb27790470 [0,1,0,0,0,1|1,0,0]=3 6929 B9R0.64 CC(C)(CN)CNC(N)=O Amb28364087 [0,1,0,0,0,1|2,0,0]=4 6930 B9R0.64 CC(C)(CN)OCC(N)=O Amb28367964 [0,1,0,0,0,1|2,0,0]=4 6931 B9R0.64 CC(C)(CN)SCC(N)=O Amb27591047 [0,1,0,0,0,1|2,0,0]=4 6932 B9R0.64 CC(C)(CO)CCC(=O)O Amb27173192 [0,1,0,0,0,1|1,0,0]=3 6933 B9R0.64 CC(C)(CO)CNC(N)=O Amb18831448 [0,1,0,0,0,1|2,0,0]=4 6934 B9R0.64 CC(C)(CO)COC(N)=O Amb8630736 [0,1,0,0,0,1|2,0,0]=4 6935 B9R0.64 CC(C)(CO)OCC(=O)O Amb33202720 [0,1,0,0,0,1|1,0,0]=3 6936 B9R0.64 CC(C)(\C=C\C(=O)O)CO Amb26900319 [0,1,0,0,0,1|1,0,1]=4 6937 B9R0.64 CC(O)(C#N)CCC(=O)O Amb28050165 [0,1,0,0,0,1|1,0,1]=4 6938 B9R0.64 CCC(C)(C)C#CC(=O)O Amb27836215 [0,1,0,0,0,1|0,0,1]=3 6939 B9R0.64 CCC(C)(C)CCC(=O)O Amb18644164 [0,1,0,0,0,1|0,0,0]=2 6940 B9R0.64 CCC(C)(C)CCC(C)=O Amb25926360 [0,1,0,0,0,1|1,0,0]=3 6941 B9R0.64 CCC(C)(C)CCC(C)O Amb25168708 [0,1,0,0,0,1|1,0,1]=4 6942 B9R0.64 CCC(C)(C)CCS(=O)Cl Amb32720887 [0,1,0,0,0,1|2,0,0]=4 6943 B9R0.64 CCC(C)(C)CCS(=O)[O-] Amb32755576 [0,1,0,0,0,1|1,0,1]=4 6944 B9R0.64 CCC(C)(C)CCS(N)=O Amb32720855 [0,1,0,0,0,1|2,0,0]=4 6945 B9R0.64 CCC(C)(C)CC[C@@H](C)O Amb33266336 [0,1,0,0,0,1|1,0,1]=4 6946 B9R0.64 CCC(C)(C)CC[C@H](C)O Amb33266337 [0,1,0,0,0,1|1,0,1]=4 6947 B9R0.64 CCC(C)(C)CC[N+](=O)[O-] Amb33266301 [0,1,0,0,0,1|1,0,1]=4 6948 B9R0.64 CCC(C)(C)CNC(=O)Cl Amb35633498 [0,1,0,0,0,1|1,0,0]=3 6949 B9R0.64 CCC(C)(C)CNC(C)=N Amb27806673 [0,1,0,0,0,1|2,0,0]=4 6950 B9R0.64 CCC(C)(C)CNC(C)=O Amb27217830 [0,1,0,0,0,1|1,0,0]=3 6951 B9R0.64 CCC(C)(C)CNC(N)=S Amb28137684 [0,1,0,0,0,1|1,1,0]=4 6952 B9R0.64 CCC(C)(C)COC(N)=O Amb28340947 [0,1,0,0,0,1|1,0,0]=3 6953 B9R0.64 CCC(C)(C)NCC(C)O Amb18304004 [0,1,0,0,0,1|1,0,1]=4 6954 B9R0.64 CCC(C)(C)OCC(=O)O Amb9208491 [0,1,0,0,0,1|0,0,0]=2 6955 B9R0.64 CCC(C)(C)OCC(C)=O Amb9667104 [0,1,0,0,0,1|1,0,0]=3 6956 B9R0.64 CCC(C)(C)OCC(N)=O Amb27791287 [0,1,0,0,0,1|1,0,0]=3 6957 B9R0.64 CCC(C)(C)OC[C@@H](C)O Amb27244547 [0,1,0,0,0,1|1,0,1]=4 6958 B9R0.64 CCC(C)(C)\C=C\C(=O)O Amb33428990 [0,1,0,0,0,1|0,0,1]=3 6959 B9R0.64 CCC(C)(C)\C=C\C(C)=O Amb32954786 [0,1,0,0,0,1|1,0,1]=4 6960 B9R0.64 CCC(C)(C)\N=C/C(C)=O Amb27265391 [0,1,0,0,0,1|1,0,1]=4 6961 B9R0.64 CCC(C)(N)C#CC(=O)O Amb33168969 [0,1,0,0,0,1|0,0,1]=3 6962 B9R0.64 CCC(C)(N)CC=C(C)C Amb30029630 [0,1,0,0,0,1|2,0,0]=4 6963 B9R0.64 CCC(C)(N)CC=C(Cl)Cl Amb35654336 [0,1,0,0,0,1|2,0,0]=4 6964 B9R0.64 CCC(C)(N)CCC(=O)O Amb33036311 [0,1,0,0,0,1|0,0,0]=2 6965 B9R0.64 CCC(C)(N)CCS(C)=O Amb27449521 [0,1,0,0,0,1|2,0,0]=4 6966 B9R0.64 CCC(C)(N)COC(N)=O Amb28071815 [0,1,0,0,0,1|1,0,0]=3 6967 B9R0.64 CCC(C)(O)C#CC(N)=O Amb27222650 [0,1,0,0,0,1|1,0,1]=4 6968 B9R0.64 CCC(C)(O)CCC(=O)O Amb25317242 [0,1,0,0,0,1|0,0,0]=2 6969 B9R0.64 CCC(C)(O)CNC(C)=O Amb27795587 [0,1,0,0,0,1|1,0,0]=3 6970 B9R0.64 CCC(C)(O)C\N=C(/C)N Amb27399450 [0,1,0,0,0,1|2,0,0]=4 6971 B9R0.64 CCC(F)(F)C#CC(=O)O Amb33168985 [0,1,0,0,0,1|1,0,1]=4 6972 B9R0.64 CCC(F)(F)CNC(=O)Cl Amb35633329 [0,1,0,0,0,1|2,0,0]=4 6973 B9R0.64 CCC(F)(F)CNC(C)=O Amb35631520 [0,1,0,0,0,1|2,0,0]=4 6974 B9R0.64 CCC(F)(F)CNC(N)=O Amb35647259 [0,1,0,0,0,1|2,0,0]=4 6975 B9R0.64 CCS(=O)(=O)CCC(=O)O Amb6266853 [0,1,0,0,0,1|2,0,0]=4 6976 B9R0.64 CCS(=O)(=O)NCC(=O)O Amb1112815 [0,1,0,0,0,1|2,0,0]=4 6977 B9R0.64 CC[C@](C)(O)CCC(=O)O Amb27810635 [0,1,0,0,0,1|0,0,0]=2 6978 B9R0.64 CNC(C)(C)CNC(C)=O Amb27969171 [0,1,0,0,0,1|2,0,0]=4 6979 B9R0.64 CNC(C)(C)CNC(N)=O Amb28063794 [0,1,0,0,0,1|2,0,0]=4 6980 B9R0.64 COC(C)(C)C#CC(=O)O Amb25777780 [0,1,0,0,0,1|1,0,1]=4 6981 B9R0.64 COC(C)(C)CCC(=O)O Amb27835401 [0,1,0,0,0,1|1,0,0]=3 6982 B9R0.64 COC(C)(C)CCC(C)=O Amb25767114 [0,1,0,0,0,1|2,0,0]=4 6983 B9R0.64 COC(C)(C)CNC(=O)Cl Amb35633399 [0,1,0,0,0,1|2,0,0]=4 6984 B9R0.64 COC(C)(C)CNC(C)=O Amb28255406 [0,1,0,0,0,1|2,0,0]=4 6985 B9R0.64 COC(C)(C)CNC(N)=O Amb28120338 [0,1,0,0,0,1|2,0,0]=4 6986 B9R0.64 CSC(C)(C)CCC(=O)O Amb28245393 [0,1,0,0,0,1|1,0,0]=3 6987 B9R0.64 CSC(C)(C)CNC(=O)Cl Amb35633357 [0,1,0,0,0,1|2,0,0]=4 6988 B9R0.64 O=C(O)CCC(F)(F)CCl Amb27477848 [0,1,0,0,0,1|2,0,0]=4 6989 B9R0.64 O=C(O)CCC(F)(F)CO Amb33620699 [0,1,0,0,0,1|2,0,0]=4 6990 B9R0.6 C#CCC(C)C(C)C(=O)O Amb28049486 [0,2,0,0,0,0|0,0,1]=3 6991 B9R0.6 C#CCN(C)C(C)C(=O)O Amb18993822 [0,2,0,0,0,0|1,0,1]=4 6992 B9R0.6 C=C(C(=O)O)C(C)CCC Amb33321132 [0,2,0,0,0,0|0,0,1]=3 6993 B9R0.6 C=C(C(=O)O)C(C)OCC Amb33425050 [0,2,0,0,0,0|0,0,1]=3 6994 B9R0.6 C=C(C)C(N)C(C)CSC Amb28138457 [0,2,0,0,0,0|2,0,0]=4 6995 B9R0.6 C=C(C)C(N)C(C)OCC Amb27799925 [0,2,0,0,0,0|2,0,0]=4 6996 B9R0.6 C=C(C)C(O)C(C)COC Amb27770498 [0,2,0,0,0,0|2,0,0]=4 6997 B9R0.6 C=C(C)[C@@H](O)[C@H](C)CCC Amb27833712 [0,2,0,0,0,0|2,0,0]=4 6998 B9R0.6 C=C(CCC)[C@H](N)C(=O)O Amb27404609 [0,2,0,0,0,0|0,0,2]=4 6999 B9R0.6 C=CCC(C)C(C)C(=O)O Amb18643938 [0,2,0,0,0,0|0,0,1]=3 7000 B9R0.6 C=CCC(C)C(N)C(=O)O Amb26381874 [0,2,0,0,0,0|0,0,1]=3 7001 B9R0.6 C=CCC(C)C(N)C(N)=O Amb33066012 [0,2,0,0,0,0|1,0,1]=4 7002 B9R0.6 C=CCC(C)[C@@H](N)C(=O)O Amb33037030 [0,2,0,0,0,0|0,0,1]=3 7003 B9R0.6 C=CCC(C)[C@H](N)C(=O)O Amb32865926 [0,2,0,0,0,0|0,0,1]=3 7004 B9R0.6 CC(=O)C(C)C(C)CC=O Amb27827459 [0,2,0,0,0,0|1,0,1]=4 7005 B9R0.6 CC(C(=O)O)N(C)CCF Amb27171701 [0,2,0,0,0,0|1,0,0]=3 7006 B9R0.6 CC(C(=O)O)N(C)CCN Amb19028451 [0,2,0,0,0,0|1,0,0]=3 7007 B9R0.6 CC(C(=O)O)N(C)CCO Amb5767856 [0,2,0,0,0,0|1,0,0]=3 7008 B9R0.6 CC(C(=O)O)S(=O)CCCl Amb28365842 [0,2,0,0,0,0|2,0,0]=4 7009 B9R0.6 CC(C(N)=O)N(C)CCF Amb27431241 [0,2,0,0,0,0|2,0,0]=4 7010 B9R0.6 CC(C(N)=O)N(C)CCI Amb28398768 [0,2,0,0,0,0|2,0,0]=4 7011 B9R0.6 CC(CC#N)C(C)C(=O)O Amb35719228 [0,2,0,0,0,0|0,0,1]=3 7012 B9R0.6 CC(CC#N)C(N)C(=O)O Amb33066130 [0,2,0,0,0,0|0,0,1]=3 7013 B9R0.6 CC(CC#N)C(N)C(N)=O Amb33036532 [0,2,0,0,0,0|1,0,1]=4 7014 B9R0.6 CC(CC#N)[C@@H](N)C(=O)O Amb33308829 [0,2,0,0,0,0|0,0,1]=3 7015 B9R0.6 CC(CC#N)[C@H](N)C(=O)O Amb32865927 [0,2,0,0,0,0|0,0,1]=3 7016 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [0,2,0,0,0,0|0,0,1]=3 7017 B9R0.6 CC(CCN)N(C)C(N)=O Amb27424957 [0,2,0,0,0,0|2,0,0]=4 7018 B9R0.6 CC(N=[N+]=[N-])C(C)C(=O)O Amb27772454 [0,2,0,0,0,0|2,0,0]=4 7019 B9R0.6 CC(N=[N+]=[N-])C(O)C(=O)O Amb27827365 [0,2,0,0,0,0|2,0,0]=4 7020 B9R0.6 CC(NC#N)C(C)C(=O)O Amb30030671 [0,2,0,0,0,0|1,0,1]=4 7021 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [0,2,0,0,0,0|1,0,1]=4 7022 B9R0.6 CCCC(C)C(=O)C(=O)O Amb24747027 [0,2,0,0,0,0|0,0,1]=3 7023 B9R0.6 CCCC(C)C(=O)C(C)=O Amb28144170 [0,2,0,0,0,0|1,0,1]=4 7024 B9R0.6 CCCC(C)C(C)C(=O)O Amb28050123 [0,2,0,0,0,0|0,0,0]=2 7025 B9R0.6 CCCC(C)C(C)C(C)O Amb28126833 [0,2,0,0,0,0|1,0,1]=4 7026 B9R0.6 CCCC(C)C(Cl)C(N)=O Amb18800738 [0,2,0,0,0,0|1,0,0]=3 7027 B9R0.6 CCCC(C)C(N)C(=O)O Amb20622789 [0,2,0,0,0,0|0,0,0]=2 7028 B9R0.6 CCCC(C)C(N)C(N)=O Amb27809015 [0,2,0,0,0,0|1,0,0]=3 7029 B9R0.6 CCCC(C)C(O)C(=O)O Amb27809670 [0,2,0,0,0,0|0,0,0]=2 7030 B9R0.6 CCCC(C)C(O)C(C)=O Amb27645205 [0,2,0,0,0,0|1,0,0]=3 7031 B9R0.6 CCCC(C)C(O)C(C)O Amb28126834 [0,2,0,0,0,0|1,0,1]=4 7032 B9R0.6 CCCC(C)C(O)C(N)=O Amb27407802 [0,2,0,0,0,0|1,0,0]=3 7033 B9R0.6 CCCC(C)N(C)C(=O)Cl Amb27837818 [0,2,0,0,0,0|2,0,0]=4 7034 B9R0.6 CCCC(C)N(C)C(C)=O Amb27839148 [0,2,0,0,0,0|2,0,0]=4 7035 B9R0.6 CCCC(C)[C@@H](C)C(=O)O Amb33727115 [0,2,0,0,0,0|0,0,0]=2 7036 B9R0.6 CCCC(C)[C@@H](N)C(=O)O Amb26624121 [0,2,0,0,0,0|0,0,0]=2 7037 B9R0.6 CCCC(C)[C@H](C)C(=O)O Amb33749068 [0,2,0,0,0,0|0,0,0]=2 7038 B9R0.6 CCCC(C)[C@H](N)C(=O)O Amb26512364 [0,2,0,0,0,0|0,0,0]=2 7039 B9R0.6 CCCC(Cl)C(O)C(C)=O Amb25943692 [0,2,0,0,0,0|2,0,0]=4 7040 B9R0.6 CCCC(F)C(Br)C(=O)O Amb27623862 [0,2,0,0,0,0|1,0,0]=3 7041 B9R0.6 CCCC(F)C(N)C(=O)O Amb10839857 [0,2,0,0,0,0|1,0,0]=3 7042 B9R0.6 CCCC(N)C(C)C(=O)O Amb24763852 [0,2,0,0,0,0|1,0,0]=3 7043 B9R0.6 CCCC(N)C(F)C(=O)O Amb33036385 [0,2,0,0,0,0|1,0,0]=3 7044 B9R0.6 CCCC(N)C(O)C(N)=O Amb8391315 [0,2,0,0,0,0|2,0,0]=4 7045 B9R0.6 CCCC(O)C(C)C(=O)O Amb18310700 [0,2,0,0,0,0|1,0,0]=3 7046 B9R0.6 CCCC(O)C(C)C(N)=O Amb27816041 [0,2,0,0,0,0|2,0,0]=4 7047 B9R0.6 CCCC(O)C(Cl)C(=O)O Amb28120934 [0,2,0,0,0,0|1,0,0]=3 7048 B9R0.6 CCCC(O)C(Cl)C(C)=O Amb26066170 [0,2,0,0,0,0|2,0,0]=4 7049 B9R0.6 CCCC(O)C(F)C(=O)O Amb33036248 [0,2,0,0,0,0|1,0,0]=3 7050 B9R0.6 CCCC(O)C(N)C(=O)O Amb18124815 [0,2,0,0,0,0|1,0,0]=3 7051 B9R0.6 CCCC(O)C(O)C(=O)O Amb27772742 [0,2,0,0,0,0|1,0,0]=3 7052 B9R0.6 CCCC(O)C(O)C(C)=O Amb28122464 [0,2,0,0,0,0|2,0,0]=4 7053 B9R0.6 CCCC(O)[C@@H](O)C(=O)O Amb27256644 [0,2,0,0,0,0|1,0,0]=3 7054 B9R0.6 CCCC(O)[C@H](N)C(=O)O Amb26635079 [0,2,0,0,0,0|1,0,0]=3 7055 B9R0.6 CCCC(S)C(N)C(=O)O Amb27860699 [0,2,0,0,0,0|1,0,0]=3 7056 B9R0.6 CCCC(S)[C@@H](N)C(=O)O Amb27759942 [0,2,0,0,0,0|1,0,0]=3 7057 B9R0.6 CCC[C@@H](C)[C@@H](C)C(=O)O Amb27961440 [0,2,0,0,0,0|0,0,0]=2 7058 B9R0.6 CCC[C@@H](N)C(O)C(N)=O Amb33716855 [0,2,0,0,0,0|2,0,0]=4 7059 B9R0.6 CCC[C@@H](N)[C@@H](C)C(=O)O Amb27784849 [0,2,0,0,0,0|1,0,0]=3 7060 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O Amb22747816 [0,2,0,0,0,0|1,0,0]=3 7061 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O Amb22747809 [0,2,0,0,0,0|1,0,0]=3 7062 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Amb25367288 [0,2,0,0,0,0|1,0,0]=3 7063 B9R0.6 CCC[C@@H](O)[C@H](N)C(=O)O Amb24715802 [0,2,0,0,0,0|1,0,0]=3 7064 B9R0.6 CCC[C@H](C)[C@@H](N)C(=O)O Amb27801051 [0,2,0,0,0,0|0,0,0]=2 7065 B9R0.6 CCC[C@H](C)[C@@H](O)C(=O)O Amb28050149 [0,2,0,0,0,0|0,0,0]=2 7066 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O Amb29838293 [0,2,0,0,0,0|0,0,0]=2 7067 B9R0.6 CCC[C@H](N)C(O)C(=O)O Amb27229636 [0,2,0,0,0,0|1,0,0]=3 7068 B9R0.6 CCC[C@H](N)[C@@H](C)C(=O)O Amb27618082 [0,2,0,0,0,0|1,0,0]=3 7069 B9R0.6 CCC[C@H](N)[C@@H](O)C(=O)O Amb26344900 [0,2,0,0,0,0|1,0,0]=3 7070 B9R0.6 CCC[C@H](N)[C@H](O)C(=O)O Amb25084552 [0,2,0,0,0,0|1,0,0]=3 7071 B9R0.6 CCC[C@H](O)[C@@H](N)C(=O)O Amb26415873 [0,2,0,0,0,0|1,0,0]=3 7072 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Amb25113866 [0,2,0,0,0,0|1,0,0]=3 7073 B9R0.6 CCC\C(C)=C(/C)C(=O)O Amb28072401 [0,2,0,0,0,0|0,0,2]=4 7074 B9R0.6 CCC\C(C)=C(/F)C(=O)O Amb27655820 [0,2,0,0,0,0|0,0,2]=4 7075 B9R0.6 CCNC(=O)C(C)C(=O)O Amb27149702 [0,2,0,0,0,0|1,0,1]=4 7076 B9R0.6 CCNC(C)C(C)C(C)O Amb32950250 [0,2,0,0,0,0|1,0,1]=4 7077 B9R0.6 CCNC(C)C(C)S(C)=O Amb27191826 [0,2,0,0,0,0|2,0,0]=4 7078 B9R0.6 CCOC(=O)C(C)C(=O)O Amb4017635 [0,2,0,0,0,0|1,0,1]=4 7079 B9R0.6 CCOC(=O)C(F)C(=O)O Amb25774508 [0,2,0,0,0,0|1,0,1]=4 7080 B9R0.6 CCOC(=O)C(O)C(=O)O Amb28050048 [0,2,0,0,0,0|1,0,1]=4 7081 B9R0.6 CCOC(C)C(=O)C(=O)O Amb33425710 [0,2,0,0,0,0|0,0,1]=3 7082 B9R0.6 CCOC(C)C(C)C(=O)O Amb33427356 [0,2,0,0,0,0|0,0,0]=2 7083 B9R0.6 CCOC(C)C(N)C(=O)O Amb25887694 [0,2,0,0,0,0|0,0,0]=2 7084 B9R0.6 CCOC(C)C(N)C(N)=O Amb33037044 [0,2,0,0,0,0|1,0,0]=3 7085 B9R0.6 CCOC(C)C(O)C(=O)O Amb33425709 [0,2,0,0,0,0|0,0,0]=2 7086 B9R0.6 CCOC(C)C(O)C(C)=O Amb27226954 [0,2,0,0,0,0|1,0,0]=3 7087 B9R0.6 CCOC(C)[C@@H](N)C(=O)O Amb33065865 [0,2,0,0,0,0|0,0,0]=2 7088 B9R0.6 CCOC(C)[C@H](N)C(=O)O Amb33065957 [0,2,0,0,0,0|0,0,0]=2 7089 B9R0.6 CCO[C@H](C)[C@@H](N)C(=O)O Amb22747686 [0,2,0,0,0,0|0,0,0]=2 7090 B9R0.6 CCSC(C)C(C)C(=O)O Amb27753248 [0,2,0,0,0,0|0,0,0]=2 7091 B9R0.6 CCSC(C)C(N)C(=O)O Amb26359481 [0,2,0,0,0,0|0,0,0]=2 7092 B9R0.6 CCS\C(C)=C(/C)C(=O)O Amb28436848 [0,2,0,0,0,0|0,0,2]=4 7093 B9R0.6 CC\C=C(/C)C(O)C(C)=O Amb28202152 [0,2,0,0,0,0|1,0,1]=4 7094 B9R0.6 CC\C=C(\C)C(C)C(=O)O Amb27619278 [0,2,0,0,0,0|0,0,1]=3 7095 B9R0.6 CN(CCF)C(=O)C(=O)O Amb28314056 [0,2,0,0,0,0|1,0,1]=4 7096 B9R0.6 COCC(C)C(C)C(=O)O Amb26369700 [0,2,0,0,0,0|0,0,0]=2 7097 B9R0.6 COCC(C)C(C)C(C)O Amb27240411 [0,2,0,0,0,0|1,0,1]=4 7098 B9R0.6 COCC(C)C(Cl)C(N)=O Amb27614969 [0,2,0,0,0,0|1,0,0]=3 7099 B9R0.6 COCC(C)C(N)C(=O)O Amb24116980 [0,2,0,0,0,0|0,0,0]=2 7100 B9R0.6 COCC(C)C(N)C(N)=O Amb24468545 [0,2,0,0,0,0|1,0,0]=3 7101 B9R0.6 COCC(C)C(O)C(=O)O Amb27596283 [0,2,0,0,0,0|0,0,0]=2 7102 B9R0.6 COCC(C)N(C)C(C)=O Amb28203512 [0,2,0,0,0,0|2,0,0]=4 7103 B9R0.6 COCC(C)N(C)C(N)=O Amb27440098 [0,2,0,0,0,0|2,0,0]=4 7104 B9R0.6 COCC(C)[C@@H](N)C(=O)O Amb26467489 [0,2,0,0,0,0|0,0,0]=2 7105 B9R0.6 COCC(C)[C@H](N)C(=O)O Amb25729786 [0,2,0,0,0,0|0,0,0]=2 7106 B9R0.6 COCC(O)C(N)C(=O)O Amb25147551 [0,2,0,0,0,0|1,0,0]=3 7107 B9R0.6 COC\C(C)=C(/F)C(=O)O Amb27868085 [0,2,0,0,0,0|0,0,2]=4 7108 B9R0.6 CO\N=C(/C)C(C)C(=O)O Amb27618373 [0,2,0,0,0,0|1,0,1]=4 7109 B9R0.6 CSCC(C)C(N)C(=O)O Amb27161222 [0,2,0,0,0,0|0,0,0]=2 7110 B9R0.6 CSCC(C)N(C)C(N)=O Amb27974848 [0,2,0,0,0,0|2,0,0]=4 7111 B9R0.6 CSCC(C)[C@H](N)C(=O)O Amb28137881 [0,2,0,0,0,0|0,0,0]=2 7112 B9R0.6 CSCC(O)C(N)C(=O)O Amb18646340 [0,2,0,0,0,0|1,0,0]=3 7113 B9R0.6 CSC[C@@H](C)C(N)C(=O)O Amb27629392 [0,2,0,0,0,0|0,0,0]=2 7114 B9R0.6 CSC[C@H](O)[C@@H](N)C(=O)O Amb28320767 [0,2,0,0,0,0|1,0,0]=3 7115 B9R0.6 C[C@@H](CCCl)[C@H](N)C(=O)O Amb28203940 [0,2,0,0,0,0|0,0,0]=2 7116 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [0,2,0,0,0,0|1,0,1]=4 7117 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [0,2,0,0,0,0|1,0,1]=4 7118 B9R0.6 C[C@H](N=[N+]=[N-])[C@H](O)C(=O)O Amb27238502 [0,2,0,0,0,0|2,0,0]=4 7119 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [0,2,0,0,0,0|1,0,1]=4 7120 B9R0.6 C\C=C\C(C)C(C)C(=O)O Amb28346501 [0,2,0,0,0,0|0,0,1]=3 7121 B9R0.6 C\C=C\C(C)C(C)C(C)=O Amb24570391 [0,2,0,0,0,0|1,0,1]=4 7122 B9R0.6 C\C=C\[C@@H](C)[C@H](Br)C(=O)O Amb27849000 [0,2,0,0,0,0|0,0,1]=3 7123 B9R0.6 C\C=C\[C@H](C)[C@H](C)C(=O)O Amb27630536 [0,2,0,0,0,0|0,0,1]=3 7124 B9R0.6 NC(C(=O)O)C(O)CCF Amb33196437 [0,2,0,0,0,0|1,0,0]=3 7125 B9R0.6 NCCC(F)C(N)C(=O)O Amb28204060 [0,2,0,0,0,0|1,0,0]=3 7126 B9R0.6 NCCC(N)C(N)C(=O)O Amb27759858 [0,2,0,0,0,0|1,0,0]=3 7127 B9R0.6 NCC[C@@H](F)[C@H](N)C(=O)O Amb27818085 [0,2,0,0,0,0|1,0,0]=3 7128 B9R0.6 NCC[C@@H](O)[C@H](N)C(=O)O Amb27800764 [0,2,0,0,0,0|1,0,0]=3 7129 B9R0.6 NCC[C@H](O)[C@H](N)C(=O)O Amb27263062 [0,2,0,0,0,0|1,0,0]=3 7130 B9R0.25 CCC(C)C(C)C(C)(C)O Amb27469542 [0,2,0,0,0,0|1,0,1]=4 7131 B9R0.25 CCC(C)C(C)S(=O)(=O)Cl Amb18324777 [0,2,0,0,0,0|1,0,1]=4 7132 B9R0.25 CCC(C)C(C)S(=O)(=O)F Amb33352451 [0,2,0,0,0,0|1,0,1]=4 7133 B9R0.25 CCC(C)C(C)S(N)(=O)=O Amb18183525 [0,2,0,0,0,0|1,0,1]=4 7134 B9R0.25 CCC(C)C(N)P(=O)(O)O Amb8516014 [0,2,0,0,0,0|1,0,0]=3 7135 B9R0.25 CCC(C)C(O)C(C)(C)O Amb27430990 [0,2,0,0,0,0|1,0,1]=4 7136 B9R0.25 CCC(O)C(S)P(=O)(O)O Amb28050574 [0,2,0,0,0,0|2,0,0]=4 7137 B9R0.25 CCC(O)C(S)S(=O)(=O)O Amb27771486 [0,2,0,0,0,0|2,0,0]=4 7138 B9R0.25 CC[C@H](C)[C@@H](N)P(=O)(O)O Amb27615025 [0,2,0,0,0,0|1,0,0]=3 7139 B9R0.25 CC[C@H](C)[C@H](N)C(C)(C)O Amb22747498 [0,2,0,0,0,0|1,0,1]=4 7140 B9R0.27 C#CC(=O)N(C)C(C)CC Amb27395623 [0,2,0,0,0,0|2,0,0]=4 7141 B9R0.27 C#CC(=O)[C@@H](N)C(C)CC Amb35617475 [0,2,0,0,0,0|1,0,0]=3 7142 B9R0.27 C#CC(=O)[C@@H](N)[C@@H](C)CC Amb35617476 [0,2,0,0,0,0|1,0,0]=3 7143 B9R0.27 C#CC(C)C(O)C(=O)OC Amb27839201 [0,2,0,0,0,0|0,0,2]=4 7144 B9R0.27 C#CC(O)C(N)C(C)CC Amb30024128 [0,2,0,0,0,0|1,0,1]=4 7145 B9R0.27 C#CC(O)[C@@H](N)C(C)CC Amb35617478 [0,2,0,0,0,0|1,0,1]=4 7146 B9R0.27 C#CC(O)[C@@H](N)[C@@H](C)CC Amb35617734 [0,2,0,0,0,0|1,0,1]=4 7147 B9R0.27 C#C[C@H](C)[C@@H](O)C(=O)OC Amb27980516 [0,2,0,0,0,0|0,0,2]=4 7148 B9R0.27 C=C(C(=O)OC)C(C)CO Amb25335437 [0,2,0,0,0,0|1,0,1]=4 7149 B9R0.27 C=C(C(=O)OC)C(O)CC Amb27755500 [0,2,0,0,0,0|1,0,1]=4 7150 B9R0.27 C=C(CC)[C@@H](N)C(=O)OC Amb27855580 [0,2,0,0,0,0|0,0,2]=4 7151 B9R0.27 C=CC(=O)C(N)C(C)CC Amb28050472 [0,2,0,0,0,0|1,0,0]=3 7152 B9R0.27 C=CC(=O)N(C)C(C)CC Amb9480878 [0,2,0,0,0,0|2,0,0]=4 7153 B9R0.27 C=CC(C)C(C)C(=O)NO Amb27589393 [0,2,0,0,0,0|0,0,2]=4 7154 B9R0.27 C=CC(C)C(N)C(=O)OC Amb18644005 [0,2,0,0,0,0|0,0,2]=4 7155 B9R0.27 C=CC(C)C(N)C(=O)OC Amb24271135 [0,2,0,0,0,0|0,0,2]=4 7156 B9R0.27 C=C[C@@H](C)[C@H](N)C(=O)OC Amb27815032 [0,2,0,0,0,0|0,0,2]=4 7157 B9R0.27 C=C[C@@H](C)[C@H](O)C(=O)OC Amb27839535 [0,2,0,0,0,0|0,0,2]=4 7158 B9R0.27 CC(CO)C(O)C(O)C=O Amb28430799 [0,2,0,0,0,0|1,0,1]=4 7159 B9R0.27 CCC(=O)C(C)C(=O)OC Amb3989246 [0,2,0,0,0,0|1,0,1]=4 7160 B9R0.27 CCC(=O)C(C)C(C)CC Amb27218361 [0,2,0,0,0,0|1,0,0]=3 7161 B9R0.27 CCC(=O)C(C)C(C)CO Amb28079323 [0,2,0,0,0,0|2,0,0]=4 7162 B9R0.27 CCC(=O)C(Cl)C(=O)OC Amb18368799 [0,2,0,0,0,0|1,0,1]=4 7163 B9R0.27 CCC(=O)C(F)C(=O)OC Amb8389411 [0,2,0,0,0,0|1,0,1]=4 7164 B9R0.27 CCC(=O)C(N)C(C)CC Amb27838050 [0,2,0,0,0,0|1,0,0]=3 7165 B9R0.27 CCC(=O)N(C)C(C)CC Amb28141401 [0,2,0,0,0,0|2,0,0]=4 7166 B9R0.27 CCC(=O)[C@@H](O)[C@H](O)CC Amb28049857 [0,2,0,0,0,0|2,0,0]=4 7167 B9R0.27 CCC(=O)[C@H](N)[C@@H](C)CC Amb27461445 [0,2,0,0,0,0|1,0,0]=3 7168 B9R0.27 CCC(C)C(=O)C(=O)OC Amb25145521 [0,2,0,0,0,0|0,0,1]=3 7169 B9R0.27 CCC(C)C(Br)C(=O)OC Amb27797258 [0,2,0,0,0,0|0,0,0]=2 7170 B9R0.27 CCC(C)C(C)C(=O)CN Amb28045746 [0,2,0,0,0,0|1,0,0]=3 7171 B9R0.27 CCC(C)C(C)C(=O)OC Amb27605074 [0,2,0,0,0,0|0,0,0]=2 7172 B9R0.27 CCC(C)C(C)C(C)CO Amb27407304 [0,2,0,0,0,0|1,0,1]=4 7173 B9R0.27 CCC(C)C(C)C(O)CC Amb28411395 [0,2,0,0,0,0|1,0,1]=4 7174 B9R0.27 CCC(C)C(C)C(O)CO Amb27960918 [0,2,0,0,0,0|0,0,2]=4 7175 B9R0.27 CCC(C)C(C)\C(N)=N\O Amb27984274 [0,2,0,0,0,0|1,0,0]=3 7176 B9R0.27 CCC(C)C(Cl)C(=O)OC Amb18800857 [0,2,0,0,0,0|0,0,0]=2 7177 B9R0.27 CCC(C)C(N)C(=O)NC Amb32666144 [0,2,0,0,0,0|1,0,0]=3 7178 B9R0.27 CCC(C)C(N)C(=O)NC Amb6262886 [0,2,0,0,0,0|1,0,0]=3 7179 B9R0.27 CCC(C)C(N)C(=O)OC Amb1154182 [0,2,0,0,0,0|0,0,0]=2 7180 B9R0.27 CCC(C)C(N)C(=O)OC Amb9703020 [0,2,0,0,0,0|0,0,0]=2 7181 B9R0.27 CCC(C)C(N)C(C)OC Amb27615688 [0,2,0,0,0,0|1,0,1]=4 7182 B9R0.27 CCC(C)C(O)C(=O)OC Amb23596600 [0,2,0,0,0,0|0,0,0]=2 7183 B9R0.27 CCC(C)C(O)C(N)CO Amb27435719 [0,2,0,0,0,0|1,0,1]=4 7184 B9R0.27 CCC(C)N(C)C(=O)CCl Amb8874233 [0,2,0,0,0,0|2,0,0]=4 7185 B9R0.27 CCC(C)N(C)C(=O)CN Amb8900778 [0,2,0,0,0,0|2,0,0]=4 7186 B9R0.27 CCC(C)N(C)C(=O)CS Amb27424774 [0,2,0,0,0,0|1,1,0]=4 7187 B9R0.27 CCC(C)N(C)C(=O)NC Amb27190327 [0,2,0,0,0,0|2,0,0]=4 7188 B9R0.27 CCC(C)[C@H](N)C(=O)NC Amb17231991 [0,2,0,0,0,0|1,0,0]=3 7189 B9R0.27 CCC(Cl)C(=O)C(=O)OC Amb27865418 [0,2,0,0,0,0|1,0,1]=4 7190 B9R0.27 CCC(N)C(C)C(=O)NC Amb27620379 [0,2,0,0,0,0|2,0,0]=4 7191 B9R0.27 CCC(N)C(O)C(=O)OC Amb28555515 [0,2,0,0,0,0|1,0,0]=3 7192 B9R0.27 CCC(O)C(C)C(=O)NC Amb27200580 [0,2,0,0,0,0|2,0,0]=4 7193 B9R0.27 CCC(O)C(C)C(=O)OC Amb24731247 [0,2,0,0,0,0|1,0,0]=3 7194 B9R0.27 CCC(O)C(N)C(=O)OC Amb18644322 [0,2,0,0,0,0|1,0,0]=3 7195 B9R0.27 CCC(O)[C@@H](N)C(=O)OC Amb28132679 [0,2,0,0,0,0|1,0,0]=3 7196 B9R0.27 CCN(C)C(C)C(=O)NC Amb28206928 [0,2,0,0,0,0|2,0,0]=4 7197 B9R0.27 CCN(C)C(C)\C(N)=N\O Amb27862704 [0,2,0,0,0,0|2,0,0]=4 7198 B9R0.27 CCN(C)[C@H](C)C(=O)OC Amb27242813 [0,2,0,0,0,0|1,0,0]=3 7199 B9R0.27 CCN(O)C(C)C(=O)OC Amb27216870 [0,2,0,0,0,0|2,0,0]=4 7200 B9R0.27 CC[C@@H](C)[C@@H](N)C(=O)OC Amb28341323 [0,2,0,0,0,0|0,0,0]=2 7201 B9R0.27 CC[C@@H](C)[C@@H](O)C(=O)OC Amb28138586 [0,2,0,0,0,0|0,0,0]=2 7202 B9R0.27 CC[C@@H](C)[C@H](O)C(=O)OC Amb27484517 [0,2,0,0,0,0|0,0,0]=2 7203 B9R0.27 CC[C@@H](N)[C@H](C)C(=O)NC Amb28199460 [0,2,0,0,0,0|2,0,0]=4 7204 B9R0.27 CC[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb28345011 [0,2,0,0,0,0|1,0,1]=4 7205 B9R0.27 CC[C@@H](O)[C@H](O)C(=O)OC Amb28065109 [0,2,0,0,0,0|1,0,0]=3 7206 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC Amb22747221 [0,2,0,0,0,0|0,0,0]=2 7207 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC Amb28350478 [0,2,0,0,0,0|0,0,0]=2 7208 B9R0.27 CC[C@H](C)[C@H](C)[C@H](O)CO Amb27945357 [0,2,0,0,0,0|0,0,2]=4 7209 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl Amb30633186 [0,2,0,0,0,0|1,0,0]=3 7210 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC Amb24478007 [0,2,0,0,0,0|1,0,0]=3 7211 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC Amb33446989 [0,2,0,0,0,0|1,0,0]=3 7212 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NO Amb25146430 [0,2,0,0,0,0|0,0,0]=2 7213 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC Amb533936 [0,2,0,0,0,0|0,0,0]=2 7214 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC Amb8390409 [0,2,0,0,0,0|0,0,0]=2 7215 B9R0.27 CC[C@H](C)[C@H](O)[C@@H](C)CO Amb27839596 [0,2,0,0,0,0|1,0,1]=4 7216 B9R0.27 CC[C@H](N)C(O)C(=O)OC Amb27759874 [0,2,0,0,0,0|1,0,0]=3 7217 B9R0.27 CC[C@H](N)[C@@H](N)C(=O)OC Amb27985351 [0,2,0,0,0,0|1,0,0]=3 7218 B9R0.27 CC[C@H](N)[C@@H](O)C(=O)OC Amb27768624 [0,2,0,0,0,0|1,0,0]=3 7219 B9R0.27 CC[C@H](O)[C@@H](O)C(=O)OC Amb27839536 [0,2,0,0,0,0|1,0,0]=3 7220 B9R0.27 CC[C@H](O)[C@H](C)C(=O)NC Amb27620232 [0,2,0,0,0,0|2,0,0]=4 7221 B9R0.27 CC[C@H](O)[C@H](N)C(=O)OC Amb28120015 [0,2,0,0,0,0|1,0,0]=3 7222 B9R0.27 CC\C(C)=C(/N)C(=O)OC Amb27637584 [0,2,0,0,0,0|0,0,2]=4 7223 B9R0.27 CNC(=O)C(O)C(C)OC Amb28315930 [0,2,0,0,0,0|2,0,0]=4 7224 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC Amb32723111 [0,2,0,0,0,0|2,0,0]=4 7225 B9R0.27 COC(=O)C(=O)C(C)OC Amb28381261 [0,2,0,0,0,0|1,0,1]=4 7226 B9R0.27 COC(=O)C(Br)C(Br)CBr Amb20241612 [0,2,0,0,0,0|2,0,0]=4 7227 B9R0.27 COC(=O)C(C)C(C)CO Amb27945381 [0,2,0,0,0,0|1,0,0]=3 7228 B9R0.27 COC(=O)C(C)C(Cl)OC Amb27878631 [0,2,0,0,0,0|2,0,0]=4 7229 B9R0.27 COC(=O)C(C)C(O)CO Amb27763921 [0,2,0,0,0,0|2,0,0]=4 7230 B9R0.27 COC(=O)C(Cl)C(C)OC Amb24373136 [0,2,0,0,0,0|1,0,0]=3 7231 B9R0.27 COC(=O)C(Cl)C(C)SC Amb27185586 [0,2,0,0,0,0|1,0,0]=3 7232 B9R0.27 COC(=O)C(Cl)C(Cl)CCl Amb27791996 [0,2,0,0,0,0|2,0,0]=4 7233 B9R0.27 COC(=O)C(Cl)C(Cl)OC Amb27650703 [0,2,0,0,0,0|2,0,0]=4 7234 B9R0.27 COC(=O)C(N)C(C)C#N Amb33066140 [0,2,0,0,0,0|1,0,1]=4 7235 B9R0.27 COC(=O)C(N)C(C)CO Amb33066102 [0,2,0,0,0,0|1,0,0]=3 7236 B9R0.27 COC(=O)C(N)C(C)OC Amb25111509 [0,2,0,0,0,0|1,0,0]=3 7237 B9R0.27 COC(=O)C(N)C(O)CCl Amb27436705 [0,2,0,0,0,0|2,0,0]=4 7238 B9R0.27 COC(=O)C(O)C(C)C#N Amb27162771 [0,2,0,0,0,0|1,0,1]=4 7239 B9R0.27 COC(=O)C(O)C(C)C=O Amb28126610 [0,2,0,0,0,0|1,0,1]=4 7240 B9R0.27 COC(=O)C(O)C(C)CN Amb27465415 [0,2,0,0,0,0|1,0,0]=3 7241 B9R0.27 COC(=O)C(O)C(O)CCl Amb28121926 [0,2,0,0,0,0|2,0,0]=4 7242 B9R0.27 COC(=O)N(C)C(C)CN Amb18908397 [0,2,0,0,0,0|2,0,0]=4 7243 B9R0.27 COC(=O)N(C)[C@@H](C)CN Amb27402037 [0,2,0,0,0,0|2,0,0]=4 7244 B9R0.27 COC(=O)N(C)[C@H](C)CN Amb28386328 [0,2,0,0,0,0|2,0,0]=4 7245 B9R0.27 COC(=O)[C@@H](C)[C@@H](O)CO Amb27805350 [0,2,0,0,0,0|2,0,0]=4 7246 B9R0.27 COC(=O)[C@@H](Cl)[C@@H](C)OC Amb27233550 [0,2,0,0,0,0|1,0,0]=3 7247 B9R0.27 COC(=O)[C@@H](N)C(C)OC Amb27879002 [0,2,0,0,0,0|1,0,0]=3 7248 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC Amb27817562 [0,2,0,0,0,0|1,0,0]=3 7249 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC Amb33483415 [0,2,0,0,0,0|1,0,0]=3 7250 B9R0.27 COC(=O)[C@@H](N)[C@H](C)OC Amb28251917 [0,2,0,0,0,0|1,0,0]=3 7251 B9R0.27 COC(=O)[C@@H](O)[C@@H](C)OC Amb27456964 [0,2,0,0,0,0|1,0,0]=3 7252 B9R0.27 COC(=O)[C@@H](O)[C@H](O)CCl Amb28126702 [0,2,0,0,0,0|2,0,0]=4 7253 B9R0.27 COC(=O)[C@H](Br)[C@@H](C)OC Amb28323609 [0,2,0,0,0,0|1,0,0]=3 7254 B9R0.27 COC(=O)[C@H](Cl)[C@@H](C)OC Amb27798305 [0,2,0,0,0,0|1,0,0]=3 7255 B9R0.27 COC(=O)[C@H](N)[C@@H](C)OC Amb27453476 [0,2,0,0,0,0|1,0,0]=3 7256 B9R0.27 COC(=O)[C@H](O)[C@@H](O)CO Amb27839500 [0,2,0,0,0,0|2,0,0]=4 7257 B9R0.27 COC(=O)[C@H](O)[C@H](C)OC Amb27752349 [0,2,0,0,0,0|1,0,0]=3 7258 B9R0.27 C[C@H](CO)[C@@H](O)[C@H](O)C=O Amb27207777 [0,2,0,0,0,0|1,0,1]=4 7259 B9R0.27 C\C=C(/C)[C@@H](O)C(=O)OC Amb27220185 [0,2,0,0,0,0|0,0,2]=4 7260 B9R0.27 O=C(CO)C(O)C(O)CBr Amb28325803 [0,2,0,0,0,0|2,0,0]=4 7261 B9R0.27 O=C(CO)C(O)C(O)CCl Amb27596631 [0,2,0,0,0,0|2,0,0]=4 7262 B9R0.27 O=C(CO)C(O)C(O)CO Amb25099014 [0,2,0,0,0,0|2,0,0]=4 7263 B9R0.27 O=C(CO)C(O)C(O)CS Amb27861266 [0,2,0,0,0,0|2,0,0]=4 7264 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CBr Amb27180827 [0,2,0,0,0,0|2,0,0]=4 7265 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CCl Amb27961447 [0,2,0,0,0,0|2,0,0]=4 7266 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO Amb6599969 [0,2,0,0,0,0|2,0,0]=4 7267 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CF Amb28074784 [0,2,0,0,0,0|2,0,0]=4 7268 B9R0.27 O=C(NO)[C@@H](O)[C@@H](O)CO Amb27652927 [0,2,0,0,0,0|2,0,0]=4 7269 B9R0.27 O=C(NO)[C@H](O)[C@@H](O)CO Amb28189337 [0,2,0,0,0,0|2,0,0]=4 7270 B9R0.27 O=C(NO)[C@H](O)[C@H](O)CO Amb27946842 [0,2,0,0,0,0|2,0,0]=4 7271 B9R0.27 O=C(O[K])[C@H](O)[C@H](O)CO Amb8384042 [0,2,0,0,0,0|2,0,0]=4 7272 B9R0.28 C#CC(C)C(C)(N)C(=O)O Amb25061187 [0,2,0,0,0,0|0,0,2]=4 7273 B9R0.28 C#CC(C)C(C)(O)C(=O)O Amb28208473 [0,2,0,0,0,0|0,0,2]=4 7274 B9R0.28 C=C(C)C(C)(O)C(C)CC Amb28315301 [0,2,0,0,0,0|2,0,0]=4 7275 B9R0.28 C=CC(C)C(Cl)(Cl)C(=O)O Amb27478232 [0,2,0,0,0,0|0,0,2]=4 7276 B9R0.28 C=C[C@@H](C)[C@@](C)(O)C(=O)O Amb27874076 [0,2,0,0,0,0|0,0,2]=4 7277 B9R0.28 CC(C#N)C(C)(C)C(=O)O Amb27626028 [0,2,0,0,0,0|1,0,1]=4 7278 B9R0.28 CC(C)(C(=O)O)C(N)CO Amb27808913 [0,2,0,0,0,0|2,0,0]=4 7279 B9R0.28 CC(C)(C(=O)O)[C@@H](N)CO Amb27602524 [0,2,0,0,0,0|2,0,0]=4 7280 B9R0.28 CC(CO)C(C)(C)C(=O)O Amb27857073 [0,2,0,0,0,0|1,0,0]=3 7281 B9R0.28 CC(N)(C(=O)O)C(O)CO Amb27393917 [0,2,0,0,0,0|2,0,0]=4 7282 B9R0.28 CC(O)(C(=O)O)C(O)CN Amb27237582 [0,2,0,0,0,0|2,0,0]=4 7283 B9R0.28 CCC(C)C(C)(C)C(=O)O Amb26861529 [0,2,0,0,0,0|0,0,0]=2 7284 B9R0.28 CCC(C)C(C)(N)C(=O)O Amb28428774 [0,2,0,0,0,0|0,0,0]=2 7285 B9R0.28 CCC(C)C(C)(N)C(=O)O Amb33733696 [0,2,0,0,0,0|0,0,0]=2 7286 B9R0.28 CCC(C)C(C)(O)C(C)O Amb28050759 [0,2,0,0,0,0|1,0,1]=4 7287 B9R0.28 CCC(C)C(C)(O)C(N)=O Amb27392037 [0,2,0,0,0,0|1,0,0]=3 7288 B9R0.28 CCC(C)C(F)(F)C(=O)O Amb32811211 [0,2,0,0,0,0|0,0,0]=2 7289 B9R0.28 CCC(C)C(N)(N)C(=O)O Amb27759305 [0,2,0,0,0,0|0,0,0]=2 7290 B9R0.28 CCC(C)C(O)(O)C(=O)O Amb28314146 [0,2,0,0,0,0|0,0,0]=2 7291 B9R0.28 CCC(Cl)C(C)(C)C(C)=O Amb27983655 [0,2,0,0,0,0|2,0,0]=4 7292 B9R0.28 CCC(F)C(F)(F)C(=O)O Amb32946937 [0,2,0,0,0,0|1,0,0]=3 7293 B9R0.28 CCC(N)C(C)(C)C(=O)O Amb27633803 [0,2,0,0,0,0|1,0,0]=3 7294 B9R0.28 CCC(N)C(F)(F)C(=O)O Amb27389566 [0,2,0,0,0,0|1,0,0]=3 7295 B9R0.28 CCC(O)C(C)(C)C(=O)O Amb18989578 [0,2,0,0,0,0|1,0,0]=3 7296 B9R0.28 CCC(O)C(C)(O)C(C)=O Amb28199985 [0,2,0,0,0,0|2,0,0]=4 7297 B9R0.28 CCC(O)C(Cl)(Cl)C(C)=O Amb27839335 [0,2,0,0,0,0|2,0,0]=4 7298 B9R0.28 CCC(O)C(F)(F)C(=O)O Amb18796752 [0,2,0,0,0,0|1,0,0]=3 7299 B9R0.28 CCN(C)C(C)(C)C(=O)O Amb18302285 [0,2,0,0,0,0|1,0,0]=3 7300 B9R0.28 CCN(C)C(C)(C)C(=O)O Amb22099527 [0,2,0,0,0,0|1,0,0]=3 7301 B9R0.28 CC[C@@H](C)[C@](C)(N)C(=O)O Amb25946335 [0,2,0,0,0,0|0,0,0]=2 7302 B9R0.28 CC[C@H](C)[C@@](C)(N)C(=O)O Amb27153391 [0,2,0,0,0,0|0,0,0]=2 7303 B9R0.28 CC[C@H](C)[C@](C)(N)C(=O)O Amb24538030 [0,2,0,0,0,0|0,0,0]=2 7304 B9R0.28 CC[C@H](O)[C@@](C)(O)C(=O)O Amb27221818 [0,2,0,0,0,0|1,0,0]=3 7305 B9R0.28 C[C@@](O)(C(=O)O)[C@@H](O)CO Amb27823380 [0,2,0,0,0,0|2,0,0]=4 7306 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO Amb27411591 [0,2,0,0,0,0|2,0,0]=4 7307 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO Amb28289809 [0,2,0,0,0,0|2,0,0]=4 7308 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CN Amb27623544 [0,2,0,0,0,0|2,0,0]=4 7309 B9R0.28 C\C=C(\C)C(C)(C)C(=O)O Amb28050085 [0,2,0,0,0,0|0,0,2]=4 7310 B9R0.28 NC(CF)C(F)(F)C(=O)O Amb27841809 [0,2,0,0,0,0|2,0,0]=4 7311 B9R0.28 NC(CO)C(F)(F)C(=O)O Amb27213323 [0,2,0,0,0,0|2,0,0]=4 7312 B9R0.28 N[C@H](CO)C(F)(F)C(=O)O Amb28204164 [0,2,0,0,0,0|2,0,0]=4 7313 B9R0.29 C#CC(C)C(CC)C(=O)O Amb28119988 [0,2,0,0,0,0|0,0,2]=4 7314 B9R0.29 C=CC(C)C(C#N)C(=O)O Amb35741472 [0,2,0,0,0,0|0,0,2]=4 7315 B9R0.29 C=C[C@@H](C)[C@H](CC)C(=O)O Amb28251365 [0,2,0,0,0,0|0,0,2]=4 7316 B9R0.29 C=C[C@@H](C)[C@H](OC)C(=O)O Amb27173620 [0,2,0,0,0,0|0,0,2]=4 7317 B9R0.29 CC(C#N)C(C#N)C(=O)O Amb27596061 [0,2,0,0,0,0|1,0,1]=4 7318 B9R0.29 CC(CN)C(CN)C(=O)O Amb27953003 [0,2,0,0,0,0|1,0,0]=3 7319 B9R0.29 CC(CO)C(C#N)C(=O)O Amb35741474 [0,2,0,0,0,0|1,0,0]=3 7320 B9R0.29 CCC(C(=O)O)C(C)C#N Amb35719051 [0,2,0,0,0,0|1,0,1]=4 7321 B9R0.29 CCC(C(=O)O)C(C)CCl Amb27969167 [0,2,0,0,0,0|1,0,0]=3 7322 B9R0.29 CCC(C(=O)O)N(C)CC Amb9675598 [0,2,0,0,0,0|1,0,0]=3 7323 B9R0.29 CCC(C(=O)O)[C@@H](C)CC Amb28050112 [0,2,0,0,0,0|0,0,0]=2 7324 B9R0.29 CCC(C(N)=O)N(C)CC Amb27604824 [0,2,0,0,0,0|2,0,0]=4 7325 B9R0.29 CCC(C)C(C#N)C(=O)O Amb28072843 [0,2,0,0,0,0|0,0,0]=2 7326 B9R0.29 CCC(C)C(CC)C(C)=O Amb25775510 [0,2,0,0,0,0|1,0,0]=3 7327 B9R0.29 CCC(C)C(CC)C(N)=O Amb17621194 [0,2,0,0,0,0|1,0,0]=3 7328 B9R0.29 CCC(C)C(CN)C(=O)O Amb25978406 [0,2,0,0,0,0|0,0,0]=2 7329 B9R0.29 CCC(C)C(CN)C(N)=O Amb32418136 [0,2,0,0,0,0|1,0,0]=3 7330 B9R0.29 CCC(C)C(N=O)C(=O)O Amb28119173 [0,2,0,0,0,0|0,0,0]=2 7331 B9R0.29 CCC(C)C(NC)C(=O)O Amb33551329 [0,2,0,0,0,0|0,0,0]=2 7332 B9R0.29 CCC(C)C(NC)C(=O)O Amb4018745 [0,2,0,0,0,0|0,0,0]=2 7333 B9R0.29 CCC(C)C(NS)C(=O)O Amb27876164 [0,2,0,0,0,0|0,0,0]=2 7334 B9R0.29 CCC(C)C(OC)C(=O)O Amb24563898 [0,2,0,0,0,0|0,0,0]=2 7335 B9R0.29 CCC(C)C(ON)C(=O)O Amb27494007 [0,2,0,0,0,0|0,0,0]=2 7336 B9R0.29 CCC(C)N(C#N)C(N)=O Amb27258858 [0,2,0,0,0,0|2,0,0]=4 7337 B9R0.29 CCC(C)N(CC)C(=O)Cl Amb24352847 [0,2,0,0,0,0|2,0,0]=4 7338 B9R0.29 CCC(C)N(OC)C(N)=O Amb27487057 [0,2,0,0,0,0|2,0,0]=4 7339 B9R0.29 CCC(C)[C@H](NC)C(=O)O Amb27390153 [0,2,0,0,0,0|0,0,0]=2 7340 B9R0.29 CCC(C)\C(=N\O)C(=O)O Amb27881720 [0,2,0,0,0,0|0,0,1]=3 7341 B9R0.29 CCC(C)\C(=N\O)C(C)=O Amb28052556 [0,2,0,0,0,0|1,0,1]=4 7342 B9R0.29 CCC(N)C(CC)C(=O)O Amb28041915 [0,2,0,0,0,0|1,0,0]=3 7343 B9R0.29 CCC(O)C(CC)C(=O)O Amb18310733 [0,2,0,0,0,0|1,0,0]=3 7344 B9R0.29 CCC(O)C(OC)C(=O)O Amb18644355 [0,2,0,0,0,0|1,0,0]=3 7345 B9R0.29 CCN(N)[C@@H](CS)C(=O)O Amb27657394 [0,2,0,0,0,0|2,0,0]=4 7346 B9R0.29 CC[C@H](C(=O)O)[C@H](N)CC Amb27461449 [0,2,0,0,0,0|1,0,0]=3 7347 B9R0.29 CC[C@H](C)[C@@H](CC)C(N)=O Amb26024210 [0,2,0,0,0,0|1,0,0]=3 7348 B9R0.29 CC[C@H](C)[C@@H](OC)C(=O)O Amb28239702 [0,2,0,0,0,0|0,0,0]=2 7349 B9R0.29 CC[C@H](C)[C@H](CC)C(=O)O Amb28340911 [0,2,0,0,0,0|0,0,0]=2 7350 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O Amb16183967 [0,2,0,0,0,0|0,0,0]=2 7351 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O Amb22747123 [0,2,0,0,0,0|0,0,0]=2 7352 B9R0.29 CNC(C(=O)O)C(C)OC Amb24117895 [0,2,0,0,0,0|1,0,0]=3 7353 B9R0.29 CNC(C(N)=O)C(C)OC Amb27191735 [0,2,0,0,0,0|2,0,0]=4 7354 B9R0.29 CN[C@@H](C(=O)O)[C@@H](C)OC Amb33347469 [0,2,0,0,0,0|1,0,0]=3 7355 B9R0.29 C\C=C(/C)C(CC)C(=O)O Amb27440494 [0,2,0,0,0,0|0,0,2]=4 7356 B9R0.29 NCC(C(=O)O)C(O)CF Amb27955957 [0,2,0,0,0,0|2,0,0]=4 7357 B9R0.32 C#CC(C)(C)C(N)C(=O)O Amb27967135 [0,2,0,0,0,0|0,0,2]=4 7358 B9R0.32 C=C(C(=O)O)C(C)(C)CC Amb33266326 [0,2,0,0,0,0|0,0,1]=3 7359 B9R0.32 C=C(C(=O)O)C(C)(C)CO Amb33197717 [0,2,0,0,0,0|1,0,1]=4 7360 B9R0.32 C=C(C)C(O)C(C)(N)CC Amb35742113 [0,2,0,0,0,0|2,0,0]=4 7361 B9R0.32 C=C(C)C(O)C(C)(O)CC Amb27778123 [0,2,0,0,0,0|2,0,0]=4 7362 B9R0.32 C=CC(C)(C)[C@H](N)C(=O)O Amb26904663 [0,2,0,0,0,0|0,0,2]=4 7363 B9R0.32 CC(=O)C(F)C(C)(O)CF Amb27802464 [0,2,0,0,0,0|2,0,0]=4 7364 B9R0.32 CC(C(=O)O)C(C)(C)CO Amb33200362 [0,2,0,0,0,0|1,0,0]=3 7365 B9R0.32 CC(C(N)=O)C(C)(C)CO Amb28364750 [0,2,0,0,0,0|2,0,0]=4 7366 B9R0.32 CC(C)(CCl)[C@H](N)C(=O)O Amb27879456 [0,2,0,0,0,0|1,0,0]=3 7367 B9R0.32 CC(C)(CF)C(=O)C(=O)O Amb27220438 [0,2,0,0,0,0|1,0,1]=4 7368 B9R0.32 CC(C)(CF)C(N)C(=O)O Amb33376924 [0,2,0,0,0,0|1,0,0]=3 7369 B9R0.32 CC(C)(CF)C(O)C(=O)O Amb33376921 [0,2,0,0,0,0|1,0,0]=3 7370 B9R0.32 CC(C)(CN)C(O)C(=O)O Amb533284 [0,2,0,0,0,0|1,0,0]=3 7371 B9R0.32 CC(C)(CN)[C@H](O)C(=O)O Amb27174464 [0,2,0,0,0,0|1,0,0]=3 7372 B9R0.32 CC(C)(CO)C(=O)C(=O)O Amb27465183 [0,2,0,0,0,0|1,0,1]=4 7373 B9R0.32 CC(C)(CO)C(N)C(=O)O Amb17593671 [0,2,0,0,0,0|1,0,0]=3 7374 B9R0.32 CC(C)(CO)C(O)C(=O)Cl Amb24480409 [0,2,0,0,0,0|2,0,0]=4 7375 B9R0.32 CC(C)(CO)C(O)C(=O)O Amb18644357 [0,2,0,0,0,0|1,0,0]=3 7376 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] Amb24118017 [0,2,0,0,0,0|1,0,1]=4 7377 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] Amb32675100 [0,2,0,0,0,0|1,0,1]=4 7378 B9R0.32 CC(C)(CO)C(O)C(N)=O Amb3428050 [0,2,0,0,0,0|2,0,0]=4 7379 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Amb27815004 [0,2,0,0,0,0|1,0,0]=3 7380 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] Amb32666639 [0,2,0,0,0,0|1,0,1]=4 7381 B9R0.32 CC(C)(CO)[C@@H](O)C(N)=O Amb27880826 [0,2,0,0,0,0|2,0,0]=4 7382 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O Amb27397678 [0,2,0,0,0,0|1,0,0]=3 7383 B9R0.32 CC(C)(CS)C(N)C(=O)O Amb25889914 [0,2,0,0,0,0|1,0,0]=3 7384 B9R0.32 CC(O)(C#N)C(O)C(=O)O Amb27596550 [0,2,0,0,0,0|1,0,1]=4 7385 B9R0.32 CCC(C)(C)C(=O)C(=O)O Amb10569501 [0,2,0,0,0,0|0,0,1]=3 7386 B9R0.32 CCC(C)(C)C(Br)C(=O)Cl Amb27470212 [0,2,0,0,0,0|1,0,0]=3 7387 B9R0.32 CCC(C)(C)C(C)C(=O)O Amb26991539 [0,2,0,0,0,0|0,0,0]=2 7388 B9R0.32 CCC(C)(C)C(C)C(C)O Amb33212812 [0,2,0,0,0,0|1,0,1]=4 7389 B9R0.32 CCC(C)(C)C(Cl)C(N)=O Amb27984012 [0,2,0,0,0,0|1,0,0]=3 7390 B9R0.32 CCC(C)(C)C(N)C(=O)O Amb27750376 [0,2,0,0,0,0|0,0,0]=2 7391 B9R0.32 CCC(C)(C)C(N)C(=O)O Amb28555548 [0,2,0,0,0,0|0,0,0]=2 7392 B9R0.32 CCC(C)(C)C(O)C(=O)O Amb26603809 [0,2,0,0,0,0|0,0,0]=2 7393 B9R0.32 CCC(C)(C)C(O)C(N)=O Amb27847873 [0,2,0,0,0,0|1,0,0]=3 7394 B9R0.32 CCC(C)(C)N(C)C(=O)Cl Amb26323127 [0,2,0,0,0,0|2,0,0]=4 7395 B9R0.32 CCC(C)(C)N(C)C(N)=O Amb27883582 [0,2,0,0,0,0|2,0,0]=4 7396 B9R0.32 CCC(C)(C)[C@@H](C)C(=O)O Amb33727263 [0,2,0,0,0,0|0,0,0]=2 7397 B9R0.32 CCC(C)(C)[C@H](C)C(=O)O Amb33744638 [0,2,0,0,0,0|0,0,0]=2 7398 B9R0.32 CCC(C)(C)[C@H](N)C(=O)O Amb34916559 [0,2,0,0,0,0|0,0,0]=2 7399 B9R0.32 CCC(C)(F)C(N)C(=O)O Amb28399318 [0,2,0,0,0,0|0,0,0]=2 7400 B9R0.32 CCC(C)(N)C(C)C(=O)O Amb33036321 [0,2,0,0,0,0|0,0,0]=2 7401 B9R0.32 CCC(C)(N)C(C)C(C)O Amb29883878 [0,2,0,0,0,0|1,0,1]=4 7402 B9R0.32 CCC(C)(N)C(O)C(=O)O Amb27389918 [0,2,0,0,0,0|0,0,0]=2 7403 B9R0.32 CCC(C)(O)C(=O)C(=O)O Amb22731859 [0,2,0,0,0,0|0,0,1]=3 7404 B9R0.32 CCC(C)(O)C(C)C(=O)O Amb18990593 [0,2,0,0,0,0|0,0,0]=2 7405 B9R0.32 CCC(C)(O)C(Cl)C(=O)O Amb27184930 [0,2,0,0,0,0|0,0,0]=2 7406 B9R0.32 CCC(C)(O)C(O)C(=O)O Amb27810824 [0,2,0,0,0,0|0,0,0]=2 7407 B9R0.32 CCC(F)(F)C(F)C(=O)O Amb32675226 [0,2,0,0,0,0|1,0,0]=3 7408 B9R0.32 CCC(F)(F)C(N)C(=O)O Amb33743871 [0,2,0,0,0,0|1,0,0]=3 7409 B9R0.32 CCS(=O)(=O)C(C)C(=O)O Amb9720741 [0,2,0,0,0,0|2,0,0]=4 7410 B9R0.32 CC[C@@](C)(O)C(=O)C(=O)O Amb27952470 [0,2,0,0,0,0|0,0,1]=3 7411 B9R0.32 CC[C@@](C)(S)[C@H](N)C(=O)O Amb28067632 [0,2,0,0,0,0|0,0,0]=2 7412 B9R0.32 CC[C@](C)(O)[C@H](O)C(=O)O Amb27615052 [0,2,0,0,0,0|0,0,0]=2 7413 B9R0.32 CNC(C)(C)C(O)C(=O)O Amb27411390 [0,2,0,0,0,0|1,0,0]=3 7414 B9R0.32 COC(C)(C)C(Br)C(=O)O Amb10070092 [0,2,0,0,0,0|1,0,0]=3 7415 B9R0.32 COC(C)(C)C(C)C(=O)O Amb27247404 [0,2,0,0,0,0|1,0,0]=3 7416 B9R0.32 COC(C)(C)C(Cl)C(N)=O Amb28045800 [0,2,0,0,0,0|2,0,0]=4 7417 B9R0.32 COC(C)(C)C(N)C(=O)O Amb10070091 [0,2,0,0,0,0|1,0,0]=3 7418 B9R0.32 COC(C)(C)C(O)C(=O)O Amb27830980 [0,2,0,0,0,0|1,0,0]=3 7419 B9R0.32 COC(C)(C)C(S)C(=O)O Amb28436888 [0,2,0,0,0,0|1,0,0]=3 7420 B9R0.32 COC(C)(C)[C@@H](N)C(=O)O Amb28250822 [0,2,0,0,0,0|1,0,0]=3 7421 B9R0.32 CSC(C)(C)C(Cl)C(=O)O Amb27863425 [0,2,0,0,0,0|1,0,0]=3 7422 B9R0.32 CSC(C)(C)[C@@H](N)C(=O)O Amb24482204 [0,2,0,0,0,0|1,0,0]=3 7423 B9R0.32 C[C@@](O)(CF)[C@@H](N)C(=O)O Amb24627279 [0,2,0,0,0,0|1,0,0]=3 7424 B9R0.32 C[C@@](O)(CF)[C@H](N)C(=O)O Amb27810949 [0,2,0,0,0,0|1,0,0]=3 7425 B9R0.32 C[C@](O)(CN)[C@H](O)C(=O)O Amb25701236 [0,2,0,0,0,0|1,0,0]=3 7426 B9R0.32 NC(C(=O)O)C(F)(F)CO Amb28071021 [0,2,0,0,0,0|2,0,0]=4 7427 B9R0.32 O=C(O)C(S)C(F)(F)CF Amb27248300 [0,2,0,0,0,0|2,0,0]=4 7428 B9R0.41 C=C(C(=O)O)C(CC)CC Amb33313766 [0,2,0,0,0,0|0,0,1]=3 7429 B9R0.41 C=C(C(=O)O)C(CC)OC Amb25757932 [0,2,0,0,0,0|0,0,1]=3 7430 B9R0.41 C=C(C(=O)O)C(OC)OC Amb33281755 [0,2,0,0,0,0|1,0,1]=4 7431 B9R0.41 C=C(C(N)=O)C(CC)OC Amb27759793 [0,2,0,0,0,0|1,0,1]=4 7432 B9R0.41 C=C(C)C(N)C(CC)CC Amb27396027 [0,2,0,0,0,0|2,0,0]=4 7433 B9R0.41 C=C[C@H](OC)[C@@H](C)C(=O)O Amb27411501 [0,2,0,0,0,0|0,0,2]=4 7434 B9R0.41 CCC(C#N)C(C)C(=O)O Amb35700324 [0,2,0,0,0,0|0,0,1]=3 7435 B9R0.41 CCC(C#N)C(N)C(=O)O Amb33065501 [0,2,0,0,0,0|0,0,1]=3 7436 B9R0.41 CCC(C#N)C(N)C(N)=O Amb32867909 [0,2,0,0,0,0|1,0,1]=4 7437 B9R0.41 CCC(C#N)[C@@H](N)C(=O)O Amb33308678 [0,2,0,0,0,0|0,0,1]=3 7438 B9R0.41 CCC(C#N)[C@H](N)C(=O)O Amb33036453 [0,2,0,0,0,0|0,0,1]=3 7439 B9R0.41 CCC(CC)=C(F)C(=O)O Amb27493847 [0,2,0,0,0,0|0,0,2]=4 7440 B9R0.41 CCC(CC)C(=O)C(=O)O Amb25085109 [0,2,0,0,0,0|0,0,1]=3 7441 B9R0.41 CCC(CC)C(Br)C(N)=O Amb27446644 [0,2,0,0,0,0|1,0,0]=3 7442 B9R0.41 CCC(CC)C(C)C(=O)O Amb18831490 [0,2,0,0,0,0|0,0,0]=2 7443 B9R0.41 CCC(CC)C(C)C(C)O Amb28049650 [0,2,0,0,0,0|1,0,1]=4 7444 B9R0.41 CCC(CC)C(Cl)C(N)=O Amb18800737 [0,2,0,0,0,0|1,0,0]=3 7445 B9R0.41 CCC(CC)C(N)C(=O)O Amb19375421 [0,2,0,0,0,0|0,0,0]=2 7446 B9R0.41 CCC(CC)C(N)C(=O)O Amb4134815 [0,2,0,0,0,0|0,0,0]=2 7447 B9R0.41 CCC(CC)C(N)C(N)=O Amb18307119 [0,2,0,0,0,0|1,0,0]=3 7448 B9R0.41 CCC(CC)C(O)C(=O)O Amb19013419 [0,2,0,0,0,0|0,0,0]=2 7449 B9R0.41 CCC(CC)C(O)C(N)=O Amb24123036 [0,2,0,0,0,0|1,0,0]=3 7450 B9R0.41 CCC(CC)N(C)C(C)=O Amb27838930 [0,2,0,0,0,0|2,0,0]=4 7451 B9R0.41 CCC(CC)N(C)C(N)=O Amb9434074 [0,2,0,0,0,0|2,0,0]=4 7452 B9R0.41 CCC(CC)[C@@H](C)C(=O)O Amb33730913 [0,2,0,0,0,0|0,0,0]=2 7453 B9R0.41 CCC(CC)[C@@H](N)C(=O)O Amb17612760 [0,2,0,0,0,0|0,0,0]=2 7454 B9R0.41 CCC(CC)[C@H](C)C(=O)O Amb25255941 [0,2,0,0,0,0|0,0,0]=2 7455 B9R0.41 CCC(CC)[C@H](C)[C@@H](C)O Amb27839333 [0,2,0,0,0,0|1,0,1]=4 7456 B9R0.41 CCC(CC)[C@H](N)C(=O)O Amb17612761 [0,2,0,0,0,0|0,0,0]=2 7457 B9R0.41 CCC(CC)[C@H](N)C(N)=O Amb28120381 [0,2,0,0,0,0|1,0,0]=3 7458 B9R0.41 CCC(CF)C(N)C(=O)O Amb28290093 [0,2,0,0,0,0|0,0,0]=2 7459 B9R0.41 CCC(CN)C(O)C(=O)O Amb24700895 [0,2,0,0,0,0|0,0,0]=2 7460 B9R0.41 CCC(CN)N(C)C(C)=O Amb18908385 [0,2,0,0,0,0|2,0,0]=4 7461 B9R0.41 CCC(CO)N(C)C(C)=O Amb28144695 [0,2,0,0,0,0|2,0,0]=4 7462 B9R0.41 CCC(OC)C(=O)C(=O)O Amb33320140 [0,2,0,0,0,0|0,0,1]=3 7463 B9R0.41 CCC(OC)C(C)C(=O)O Amb27413515 [0,2,0,0,0,0|0,0,0]=2 7464 B9R0.41 CCC(OC)C(Cl)[N+](=O)[O-] Amb27666251 [0,2,0,0,0,0|1,0,1]=4 7465 B9R0.41 CCC(OC)C(N)C(=O)O Amb24381341 [0,2,0,0,0,0|0,0,0]=2 7466 B9R0.41 CCC(OC)C(N)C(N)=O Amb27249334 [0,2,0,0,0,0|1,0,0]=3 7467 B9R0.41 CCC(OC)C(O)C(=O)O Amb25695288 [0,2,0,0,0,0|0,0,0]=2 7468 B9R0.41 CCN(CC)C(=O)C(=O)O Amb9238091 [0,2,0,0,0,0|1,0,1]=4 7469 B9R0.41 CCN(CC)C(C)C(=O)O Amb6648894 [0,2,0,0,0,0|1,0,0]=3 7470 B9R0.41 CCN(CC)C(C)C(N)=O Amb27770570 [0,2,0,0,0,0|2,0,0]=4 7471 B9R0.41 CCN(N=O)[C@H](C)C(=O)O Amb27413512 [0,2,0,0,0,0|2,0,0]=4 7472 B9R0.41 CC[C@H](C#N)[C@@H](C)C(C)=O Amb27618187 [0,2,0,0,0,0|1,0,1]=4 7473 B9R0.41 CC[C@H](C#N)[C@H](C)C(C)=O Amb28253831 [0,2,0,0,0,0|1,0,1]=4 7474 B9R0.41 CC[C@H](CF)[C@H](N)C(=O)O Amb28077201 [0,2,0,0,0,0|0,0,0]=2 7475 B9R0.41 CC[C@H](OC)[C@H](N)C(=O)O Amb27779324 [0,2,0,0,0,0|0,0,0]=2 7476 B9R0.41 COC(CO)C(O)C(=O)O Amb27790653 [0,2,0,0,0,0|1,0,0]=3 7477 B9R0.41 COC(CO)C(O)C(N)=O Amb28434693 [0,2,0,0,0,0|2,0,0]=4 7478 B9R0.41 COC(OC)C(Br)C(C)=O Amb26369823 [0,2,0,0,0,0|2,0,0]=4 7479 B9R0.41 COC(OC)C(C)C(=O)O Amb24401121 [0,2,0,0,0,0|1,0,0]=3 7480 B9R0.41 COC(OC)C(C)C(C)=O Amb19650817 [0,2,0,0,0,0|2,0,0]=4 7481 B9R0.41 COC(OC)C(C)C(N)=O Amb28046900 [0,2,0,0,0,0|2,0,0]=4 7482 B9R0.41 COC(OC)C(Cl)C(C)=O Amb17594151 [0,2,0,0,0,0|2,0,0]=4 7483 B9R0.41 COC(OC)C(F)C(C)=O Amb26844407 [0,2,0,0,0,0|2,0,0]=4 7484 B9R0.41 COC(OC)C(N)C(=O)O Amb27443034 [0,2,0,0,0,0|1,0,0]=3 7485 B9R0.41 COC(OC)C(O)C(=O)O Amb33342039 [0,2,0,0,0,0|1,0,0]=3 7486 B9R0.41 CO[C@H](CO)[C@@H](O)C(=O)O Amb28137968 [0,2,0,0,0,0|1,0,0]=3 7487 B9R0.41 C\C=C(\CO)C(N)C(=O)O Amb27615038 [0,2,0,0,0,0|0,0,2]=4 7488 B9R0.41 N[C@H](C(=O)O)C(CO)CO Amb27655595 [0,2,0,0,0,0|1,0,0]=3 7489 B9R0.79 C=C(C(=O)O)C(O)C(C)C Amb27468733 [0,2,0,0,0,0|1,0,1]=4 7490 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,2,0,0,0,0|0,0,1]=3 7491 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,2,0,0,0,0|1,0,1]=4 7492 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,2,0,0,0,0|1,0,1]=4 7493 B9R0.79 C=C(C)C(O)C(C)C(C)N Amb35624763 [0,2,0,0,0,0|2,0,0]=4 7494 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,2,0,0,0,0|1,0,1]=4 7495 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,2,0,0,0,0|0,0,1]=3 7496 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,2,0,0,0,0|1,0,1]=4 7497 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,2,0,0,0,0|1,0,1]=4 7498 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,2,0,0,0,0|0,0,1]=3 7499 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,2,0,0,0,0|1,0,1]=4 7500 B9R0.79 CC(=O)C(C)C(O)C(C)C Amb27453442 [0,2,0,0,0,0|2,0,0]=4 7501 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,2,0,0,0,0|1,0,1]=4 7502 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,2,0,0,0,0|0,0,1]=3 7503 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,2,0,0,0,0|0,0,1]=3 7504 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)C Amb28200089 [0,2,0,0,0,0|2,0,0]=4 7505 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,2,0,0,0,0|1,0,1]=4 7506 B9R0.79 CC(=O)[C@H](C)[C@@H](O)C(C)C Amb26874392 [0,2,0,0,0,0|2,0,0]=4 7507 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,2,0,0,0,0|0,0,1]=3 7508 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,2,0,0,0,0|0,0,1]=3 7509 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,2,0,0,0,0|1,0,1]=4 7510 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,2,0,0,0,0|1,0,1]=4 7511 B9R0.79 CC(C(=O)O)C(C)N(C)C Amb28139119 [0,2,0,0,0,0|1,0,0]=3 7512 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,2,0,0,0,0|1,0,1]=4 7513 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,2,0,0,0,0|1,0,1]=4 7514 B9R0.79 CC(C(F)F)C(N)C(=O)O Amb4442353 [0,2,0,0,0,0|1,0,0]=3 7515 B9R0.79 CC(C(F)F)[C@H](N)C(=O)O Amb27424746 [0,2,0,0,0,0|1,0,0]=3 7516 B9R0.79 CC(C(N)C(=O)O)N(C)C Amb30020664 [0,2,0,0,0,0|1,0,0]=3 7517 B9R0.79 CC(C(N)C(N)=O)N(C)C Amb30036996 [0,2,0,0,0,0|2,0,0]=4 7518 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33330058 [0,2,0,0,0,0|0,0,2]=4 7519 B9R0.79 CC(C)=C(C)C(N)C(=O)O Amb33484307 [0,2,0,0,0,0|0,0,2]=4 7520 B9R0.79 CC(C)C(=S)[C@H](N)C(=O)O Amb26586364 [0,2,0,0,0,0|1,0,1]=4 7521 B9R0.79 CC(C)C(C)C(=O)C(=O)O Amb27473341 [0,2,0,0,0,0|0,0,1]=3 7522 B9R0.79 CC(C)C(C)C(=O)C(N)=O Amb27413554 [0,2,0,0,0,0|1,0,1]=4 7523 B9R0.79 CC(C)C(C)C(C)C(C)O Amb27801953 [0,2,0,0,0,0|1,0,1]=4 7524 B9R0.79 CC(C)C(C)C(N)C(=O)O Amb26965499 [0,2,0,0,0,0|0,0,0]=2 7525 B9R0.79 CC(C)C(C)C(N)C(N)=O Amb28315989 [0,2,0,0,0,0|1,0,0]=3 7526 B9R0.79 CC(C)C(C)N(C)C(=O)Cl Amb27617142 [0,2,0,0,0,0|2,0,0]=4 7527 B9R0.79 CC(C)C(C)[C@@H](N)C(=O)O Amb28119442 [0,2,0,0,0,0|0,0,0]=2 7528 B9R0.79 CC(C)C(C)[C@H](N)C(=O)O Amb27951299 [0,2,0,0,0,0|0,0,0]=2 7529 B9R0.79 CC(C)C(Cl)C(=O)C(=O)O Amb18646182 [0,2,0,0,0,0|1,0,1]=4 7530 B9R0.79 CC(C)C(F)C(N)C(=O)O Amb28071157 [0,2,0,0,0,0|1,0,0]=3 7531 B9R0.79 CC(C)C(F)[C@@H](N)C(=O)O Amb27248487 [0,2,0,0,0,0|1,0,0]=3 7532 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb25863595 [0,2,0,0,0,0|1,0,0]=3 7533 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb33328671 [0,2,0,0,0,0|1,0,0]=3 7534 B9R0.79 CC(C)C(N)C(C)C(=O)O Amb28121227 [0,2,0,0,0,0|1,0,0]=3 7535 B9R0.79 CC(C)C(N)C(F)C(=O)O Amb28385013 [0,2,0,0,0,0|1,0,0]=3 7536 B9R0.79 CC(C)C(N)C(O)C(=O)O Amb27615047 [0,2,0,0,0,0|1,0,0]=3 7537 B9R0.79 CC(C)C(O)C(C)C(=O)O Amb18990636 [0,2,0,0,0,0|1,0,0]=3 7538 B9R0.79 CC(C)C(O)C(F)C(=O)O Amb33136392 [0,2,0,0,0,0|1,0,0]=3 7539 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [0,2,0,0,0,0|1,0,0]=3 7540 B9R0.79 CC(C)C(O)C(O)C(=O)O Amb27655491 [0,2,0,0,0,0|1,0,0]=3 7541 B9R0.79 CC(C)C(O)[C@@H](C)C(=O)O Amb27494047 [0,2,0,0,0,0|1,0,0]=3 7542 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [0,2,0,0,0,0|1,0,0]=3 7543 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [0,2,0,0,0,0|1,0,0]=3 7544 B9R0.79 CC(C)N(C)C(=O)C(=O)O Amb9303810 [0,2,0,0,0,0|1,0,1]=4 7545 B9R0.79 CC(C)N(C)C(C)C(N)=O Amb28293057 [0,2,0,0,0,0|2,0,0]=4 7546 B9R0.79 CC(C)N(N)C(C)C(=O)O Amb27850417 [0,2,0,0,0,0|2,0,0]=4 7547 B9R0.79 CC(C)[C@@H](Cl)[C@@H](N)C(=O)O Amb27409092 [0,2,0,0,0,0|1,0,0]=3 7548 B9R0.79 CC(C)[C@@H](O)[C@@H](Br)C(=O)O Amb27394249 [0,2,0,0,0,0|1,0,0]=3 7549 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)Cl Amb27472722 [0,2,0,0,0,0|2,0,0]=4 7550 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O Amb27874042 [0,2,0,0,0,0|1,0,0]=3 7551 B9R0.79 CC(C)[C@@H](O)[C@H](C)C(=O)O Amb28347218 [0,2,0,0,0,0|1,0,0]=3 7552 B9R0.79 CC(C)[C@H](Cl)[C@@H](N)C(=O)O Amb27796326 [0,2,0,0,0,0|1,0,0]=3 7553 B9R0.79 CC(C)[C@H](N)[C@H](C)C(=O)O Amb27216704 [0,2,0,0,0,0|1,0,0]=3 7554 B9R0.79 CC(C)[C@H](N)[C@H](O)C(=O)O Amb25147282 [0,2,0,0,0,0|1,0,0]=3 7555 B9R0.79 CC(C)[C@H](O)[C@@H](C)C(=O)O Amb10844253 [0,2,0,0,0,0|1,0,0]=3 7556 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [0,2,0,0,0,0|1,0,0]=3 7557 B9R0.79 CC(C)[C@H](O)[C@H](C)C(=O)O Amb28346279 [0,2,0,0,0,0|1,0,0]=3 7558 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [0,2,0,0,0,0|1,0,0]=3 7559 B9R0.79 CC(C)[C@H](O)[C@H](O)C(=O)O Amb28050049 [0,2,0,0,0,0|1,0,0]=3 7560 B9R0.79 CC(Cl)C(C)C(N)C(=O)O Amb27838066 [0,2,0,0,0,0|0,0,0]=2 7561 B9R0.79 CC(F)C(C)C(Br)C(=O)O Amb28050032 [0,2,0,0,0,0|0,0,0]=2 7562 B9R0.79 CC(F)C(C)C(N)C(=O)O Amb28041913 [0,2,0,0,0,0|0,0,0]=2 7563 B9R0.79 CC(N)C(O)C(C)C(=O)O Amb25870814 [0,2,0,0,0,0|1,0,0]=3 7564 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,2,0,0,0,0|0,0,0]=2 7565 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,2,0,0,0,0|0,0,0]=2 7566 B9R0.79 CC(O)C(C)C(N)C(N)=O Amb33036679 [0,2,0,0,0,0|1,0,0]=3 7567 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,2,0,0,0,0|0,0,0]=2 7568 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,2,0,0,0,0|0,0,0]=2 7569 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,2,0,0,0,0|1,0,0]=3 7570 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,2,0,0,0,0|0,0,0]=2 7571 B9R0.79 CC(S)C(C)C(N)C(=O)O Amb27241739 [0,2,0,0,0,0|0,0,0]=2 7572 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,2,0,0,0,0|1,0,1]=4 7573 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,2,0,0,0,0|1,0,1]=4 7574 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,2,0,0,0,0|1,0,1]=4 7575 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,2,0,0,0,0|1,0,1]=4 7576 B9R0.79 C[C@@H](O)[C@@H](O)[C@H](O)C(N)=O Amb27760015 [0,2,0,0,0,0|2,0,0]=4 7577 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,2,0,0,0,0|0,0,0]=2 7578 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,2,0,0,0,0|0,0,0]=2 7579 B9R0.79 C[C@@H]([C@@H](O)C(=O)O)N(C)C Amb28364201 [0,2,0,0,0,0|1,0,0]=3 7580 B9R0.79 C[C@@H]([C@H](C)C(N)=O)S(C)=O Amb27634882 [0,2,0,0,0,0|2,0,0]=4 7581 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,2,0,0,0,0|1,0,1]=4 7582 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,2,0,0,0,0|1,0,1]=4 7583 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,2,0,0,0,0|1,0,1]=4 7584 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,2,0,0,0,0|1,0,1]=4 7585 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,2,0,0,0,0|1,0,1]=4 7586 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,2,0,0,0,0|1,0,1]=4 7587 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,2,0,0,0,0|1,0,1]=4 7588 B9R0.79 C[C@H](N)[C@@H](O)[C@@H](C)C(=O)O Amb27845316 [0,2,0,0,0,0|1,0,0]=3 7589 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,2,0,0,0,0|0,0,0]=2 7590 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,2,0,0,0,0|0,0,0]=2 7591 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,2,0,0,0,0|1,0,0]=3 7592 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(N)=O Amb27424984 [0,2,0,0,0,0|2,0,0]=4 7593 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,2,0,0,0,0|0,0,0]=2 7594 B9R0.79 C\C(=C(\F)C(=O)O)C(C)C Amb27615103 [0,2,0,0,0,0|0,0,2]=4 7595 B9R0.79 NC(C(=O)O)C(O)C(Cl)Cl Amb27837948 [0,2,0,0,0,0|2,0,0]=4 7596 B9R0.79 NC(C(=O)O)C(O)C(F)F Amb19148422 [0,2,0,0,0,0|2,0,0]=4 7597 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(Cl)Cl Amb27792191 [0,2,0,0,0,0|2,0,0]=4 7598 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(F)F Amb25940794 [0,2,0,0,0,0|2,0,0]=4 7599 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(F)F Amb26336091 [0,2,0,0,0,0|2,0,0]=4 7600 B9R0.4 C#CCCN(C)CC(=O)O Amb19373375 [0,2,0,0,0,0|1,0,0]=3 7601 B9R0.4 C#CCCN(C)CC(=O)O Amb9301489 [0,2,0,0,0,0|1,0,0]=3 7602 B9R0.4 C#CCCN(C)CC(N)=O Amb27839036 [0,2,0,0,0,0|2,0,0]=4 7603 B9R0.4 C#CCNC(C)CC(N)=O Amb27400766 [0,2,0,0,0,0|1,0,1]=4 7604 B9R0.4 C=C(CCCC)CC(=O)O Amb18643896 [0,2,0,0,0,0|0,0,2]=4 7605 B9R0.4 C=CCCC(C)CC(C)=O Amb24738371 [0,2,0,0,0,0|1,0,0]=3 7606 B9R0.4 C=CCCC(C)CC(C)O Amb27196621 [0,2,0,0,0,0|1,0,1]=4 7607 B9R0.4 C=CCCC(N)CC(=O)O Amb22641959 [0,2,0,0,0,0|1,0,0]=3 7608 B9R0.4 C=CCCC(N)CC(=O)O Amb31307612 [0,2,0,0,0,0|1,0,0]=3 7609 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [0,2,0,0,0,0|2,0,0]=4 7610 B9R0.4 C=CCCN(C)CC(N)=O Amb27761292 [0,2,0,0,0,0|2,0,0]=4 7611 B9R0.4 C=CCCS(=O)CC(=O)O Amb27408561 [0,2,0,0,0,0|2,0,0]=4 7612 B9R0.4 C=CCC[C@@H](C)CC(=O)O Amb27390713 [0,2,0,0,0,0|0,0,0]=2 7613 B9R0.4 C=CCC[C@@H](O)CC(C)=O Amb28122093 [0,2,0,0,0,0|2,0,0]=4 7614 B9R0.4 C=CCC[C@H](N)CC(=O)O Amb10066917 [0,2,0,0,0,0|1,0,0]=3 7615 B9R0.4 C=CCC\C(C)=C/C(=O)O Amb25242614 [0,2,0,0,0,0|0,0,2]=4 7616 B9R0.4 C=CCC\C(C)=C\C(=O)O Amb18643565 [0,2,0,0,0,0|0,0,2]=4 7617 B9R0.4 C=CCSC(C)CC(C)=O Amb28076621 [0,2,0,0,0,0|1,0,1]=4 7618 B9R0.4 CC#CCC(C)CC(C)=O Amb27839057 [0,2,0,0,0,0|1,0,0]=3 7619 B9R0.4 CC#CCN(C)CC(=O)O Amb19026772 [0,2,0,0,0,0|1,0,0]=3 7620 B9R0.4 CC#CCN(C)CC(N)=O Amb27757784 [0,2,0,0,0,0|2,0,0]=4 7621 B9R0.4 CC(=O)CC(C)CCC=O Amb27838122 [0,2,0,0,0,0|1,0,0]=3 7622 B9R0.4 CC(=O)CN(C)CCC#N Amb27617060 [0,2,0,0,0,0|2,0,0]=4 7623 B9R0.4 CC(=O)C[C@@H](O)CCC#N Amb26599245 [0,2,0,0,0,0|2,0,0]=4 7624 B9R0.4 CC(=O)C[C@H](O)CCC#N Amb28314339 [0,2,0,0,0,0|2,0,0]=4 7625 B9R0.4 CC(=O)NC(C)CCCO Amb28120258 [0,2,0,0,0,0|2,0,0]=4 7626 B9R0.4 CC(=O)OC(C)COCCl Amb27244906 [0,2,0,0,0,0|2,0,0]=4 7627 B9R0.4 CC(CC(=O)O)NCCF Amb28144859 [0,2,0,0,0,0|0,0,0]=2 7628 B9R0.4 CC(CC(=O)O)NCCO Amb9398895 [0,2,0,0,0,0|0,0,0]=2 7629 B9R0.4 CC(CC(=O)O)SCCN Amb18788220 [0,2,0,0,0,0|0,0,0]=2 7630 B9R0.4 CC(CC(=O)O)SCCO Amb9481722 [0,2,0,0,0,0|0,0,0]=2 7631 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [0,2,0,0,0,0|0,0,0]=2 7632 B9R0.4 CC(CCCCl)CC(=O)O Amb18646190 [0,2,0,0,0,0|0,0,0]=2 7633 B9R0.4 CC(CCCO)CC(=O)O Amb28050163 [0,2,0,0,0,0|0,0,0]=2 7634 B9R0.4 CC(CCCS)CC(=O)O Amb27443015 [0,2,0,0,0,0|0,0,0]=2 7635 B9R0.4 CC(O)CC(C)NCCO Amb27974890 [0,2,0,0,0,0|1,0,1]=4 7636 B9R0.4 CCC#CC(C)CC(=O)O Amb28050086 [0,2,0,0,0,0|0,0,0]=2 7637 B9R0.4 CCC#C[C@@H](C)CC(=O)O Amb27216422 [0,2,0,0,0,0|0,0,0]=2 7638 B9R0.4 CCC#C[C@H](C)CC(=O)O Amb27174782 [0,2,0,0,0,0|0,0,0]=2 7639 B9R0.4 CCCCC(C)CC(=O)O Amb6740296 [0,2,0,0,0,0|0,0,0]=2 7640 B9R0.4 CCCCC(C)CC(C)O Amb27839043 [0,2,0,0,0,0|1,0,1]=4 7641 B9R0.4 CCCCC(C)CC(N)=O Amb24761512 [0,2,0,0,0,0|1,0,0]=3 7642 B9R0.4 CCCCC(C)NC(C)=O Amb27487886 [0,2,0,0,0,0|2,0,0]=4 7643 B9R0.4 CCCCC(C)OC(=O)Cl Amb32654980 [0,2,0,0,0,0|2,0,0]=4 7644 B9R0.4 CCCCC(C)OC(C)=O Amb27594424 [0,2,0,0,0,0|2,0,0]=4 7645 B9R0.4 CCCCC(C)OC(N)=O Amb28050035 [0,2,0,0,0,0|2,0,0]=4 7646 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [0,2,0,0,0,0|1,0,0]=3 7647 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [0,2,0,0,0,0|1,0,0]=3 7648 B9R0.4 CCCCC(N)CC(N)=O Amb24638916 [0,2,0,0,0,0|2,0,0]=4 7649 B9R0.4 CCCCC(O)CC(=O)O Amb22388888 [0,2,0,0,0,0|1,0,0]=3 7650 B9R0.4 CCCCC(O)CC(C)=O Amb28325992 [0,2,0,0,0,0|2,0,0]=4 7651 B9R0.4 CCCCN(C)CC(=O)Cl Amb17142904 [0,2,0,0,0,0|2,0,0]=4 7652 B9R0.4 CCCCN(C)CC(=O)O Amb5774355 [0,2,0,0,0,0|1,0,0]=3 7653 B9R0.4 CCCCS(=O)CC(=O)O Amb18792577 [0,2,0,0,0,0|2,0,0]=4 7654 B9R0.4 CCCC[C@@H](C)CC(=O)O Amb25887593 [0,2,0,0,0,0|0,0,0]=2 7655 B9R0.4 CCCC[C@@H](C)CC(C)=O Amb27589814 [0,2,0,0,0,0|1,0,0]=3 7656 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [0,2,0,0,0,0|1,0,0]=3 7657 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [0,2,0,0,0,0|1,0,0]=3 7658 B9R0.4 CCCC[C@@H](O)CC(=O)O Amb24350627 [0,2,0,0,0,0|1,0,0]=3 7659 B9R0.4 CCCC[C@H](C)CC(=O)O Amb27424971 [0,2,0,0,0,0|0,0,0]=2 7660 B9R0.4 CCCC[C@H](C)CC(C)=O Amb28253626 [0,2,0,0,0,0|1,0,0]=3 7661 B9R0.4 CCCC[C@H](C)CC(N)=O Amb28461273 [0,2,0,0,0,0|1,0,0]=3 7662 B9R0.4 CCCC[C@H](C)NC(C)=O Amb27173638 [0,2,0,0,0,0|2,0,0]=4 7663 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [0,2,0,0,0,0|1,0,0]=3 7664 B9R0.4 CCCC\C(C)=C\C(=O)O Amb25929028 [0,2,0,0,0,0|0,0,2]=4 7665 B9R0.4 CCCNC(=O)CC(=O)O Amb17399888 [0,2,0,0,0,0|1,0,1]=4 7666 B9R0.4 CCCOC(=O)CC(=O)O Amb27254303 [0,2,0,0,0,0|1,0,1]=4 7667 B9R0.4 CCCOC(C)CC(C)=O Amb28344519 [0,2,0,0,0,0|1,0,0]=3 7668 B9R0.4 CCC\C=C(\C)CC(=O)O Amb25947471 [0,2,0,0,0,0|0,0,1]=3 7669 B9R0.4 CCC\C=C(\C)CC(C)=O Amb28285885 [0,2,0,0,0,0|1,0,1]=4 7670 B9R0.4 CCNCC(C)CC(=O)O Amb27602707 [0,2,0,0,0,0|0,0,0]=2 7671 B9R0.4 CCNCC(C)CC(C)O Amb27961754 [0,2,0,0,0,0|1,0,1]=4 7672 B9R0.4 CCOCC(C)CS(=O)Cl Amb32720535 [0,2,0,0,0,0|2,0,0]=4 7673 B9R0.4 CCOCC(C)CS(=O)[O-] Amb32754829 [0,2,0,0,0,0|1,0,1]=4 7674 B9R0.4 CCOCC(C)CS(N)=O Amb32720509 [0,2,0,0,0,0|2,0,0]=4 7675 B9R0.4 CCOCC(C)OC(=O)Cl Amb26020310 [0,2,0,0,0,0|2,0,0]=4 7676 B9R0.4 CCOCC(C)OC(C)=O Amb22732225 [0,2,0,0,0,0|2,0,0]=4 7677 B9R0.4 CCOCC(Cl)CC(N)=O Amb27878741 [0,2,0,0,0,0|2,0,0]=4 7678 B9R0.4 CCOCC(O)CC(=O)O Amb28340917 [0,2,0,0,0,0|1,0,0]=3 7679 B9R0.4 CCONC(C)CC(=O)O Amb28137486 [0,2,0,0,0,0|0,0,0]=2 7680 B9R0.4 CCSCC(C)CC(=O)O Amb33324046 [0,2,0,0,0,0|0,0,0]=2 7681 B9R0.4 CCSCC(N)CC(=O)O Amb27233388 [0,2,0,0,0,0|1,0,0]=3 7682 B9R0.4 CCSCC(O)CC(=O)O Amb26062529 [0,2,0,0,0,0|1,0,0]=3 7683 B9R0.4 CCSC[C@@H](O)CC(=O)O Amb33324012 [0,2,0,0,0,0|1,0,0]=3 7684 B9R0.4 CCSC[C@H](O)CC(=O)O Amb33324011 [0,2,0,0,0,0|1,0,0]=3 7685 B9R0.4 CC\C=C\C(C)=C\C(=O)O Amb35734787 [0,2,0,0,0,0|0,0,2]=4 7686 B9R0.4 CC\C=C\C(C)CC(=O)O Amb32954891 [0,2,0,0,0,0|0,0,0]=2 7687 B9R0.4 CC\C=C\C(N)CC(=O)O Amb25843767 [0,2,0,0,0,0|1,0,0]=3 7688 B9R0.4 CC\C=C\C(O)CC(=O)O Amb33429309 [0,2,0,0,0,0|1,0,0]=3 7689 B9R0.4 CC\C=C\[C@@H](O)CC(=O)O Amb33268250 [0,2,0,0,0,0|1,0,0]=3 7690 B9R0.4 CC\C=C\[C@H](O)CC(=O)O Amb28340505 [0,2,0,0,0,0|1,0,0]=3 7691 B9R0.4 CN(CCC#N)CC(=O)O Amb6658969 [0,2,0,0,0,0|1,0,0]=3 7692 B9R0.4 CN(CCC#N)CC(N)=O Amb6670221 [0,2,0,0,0,0|2,0,0]=4 7693 B9R0.4 CN(CCCF)CC(N)=O Amb28282361 [0,2,0,0,0,0|2,0,0]=4 7694 B9R0.4 CNCCN(C)CC(N)=O Amb27605675 [0,2,0,0,0,0|2,0,0]=4 7695 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [0,2,0,0,0,0|1,0,0]=3 7696 B9R0.4 COCCC(C)CC(=O)O Amb27973352 [0,2,0,0,0,0|0,0,0]=2 7697 B9R0.4 COCCC(C)CC(C)O Amb27399300 [0,2,0,0,0,0|1,0,1]=4 7698 B9R0.4 COCCC(C)OC(=O)Cl Amb32656123 [0,2,0,0,0,0|2,0,0]=4 7699 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [0,2,0,0,0,0|1,0,0]=3 7700 B9R0.4 COCCC(O)CC(=O)O Amb33377806 [0,2,0,0,0,0|1,0,0]=3 7701 B9R0.4 COCCN(C)CC(=O)O Amb22587006 [0,2,0,0,0,0|1,0,0]=3 7702 B9R0.4 COCCN(C)CC(=O)O Amb22587626 [0,2,0,0,0,0|1,0,0]=3 7703 B9R0.4 COCCN(C)CC(=O)O Amb9173718 [0,2,0,0,0,0|1,0,0]=3 7704 B9R0.4 COCCS(=O)CC(=O)O Amb18792760 [0,2,0,0,0,0|2,0,0]=4 7705 B9R0.4 COCC[C@@H](O)CC(=O)O Amb33377805 [0,2,0,0,0,0|1,0,0]=3 7706 B9R0.4 COCC[C@H](O)CC(=O)O Amb33377804 [0,2,0,0,0,0|1,0,0]=3 7707 B9R0.4 COCOC(C)CC(=O)O Amb28141098 [0,2,0,0,0,0|0,0,0]=2 7708 B9R0.4 COCO[C@@H](C)CC(C)=O Amb27783387 [0,2,0,0,0,0|1,0,0]=3 7709 B9R0.4 COCO\C(C)=C\C(=O)O Amb28203934 [0,2,0,0,0,0|0,0,2]=4 7710 B9R0.4 CONCC(O)CC(=O)O Amb28071252 [0,2,0,0,0,0|1,0,0]=3 7711 B9R0.4 CONC\C(C)=C\C(=O)O Amb27758465 [0,2,0,0,0,0|0,0,2]=4 7712 B9R0.4 CSCCC(C)CC(=O)O Amb26651819 [0,2,0,0,0,0|0,0,0]=2 7713 B9R0.4 CSCCC(C)NC(C)=O Amb27868995 [0,2,0,0,0,0|2,0,0]=4 7714 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [0,2,0,0,0,0|1,0,0]=3 7715 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [0,2,0,0,0,0|1,0,0]=3 7716 B9R0.4 CSCCC(N)CC(N)=O Amb26023351 [0,2,0,0,0,0|2,0,0]=4 7717 B9R0.4 CSCCC(O)CC(=O)O Amb18798349 [0,2,0,0,0,0|1,0,0]=3 7718 B9R0.4 CSCCN(C)CC(=O)O Amb27448940 [0,2,0,0,0,0|1,0,0]=3 7719 B9R0.4 CSCCN(C)CC(C)=O Amb27880841 [0,2,0,0,0,0|2,0,0]=4 7720 B9R0.4 CSCCN(C)CC(N)=O Amb27944587 [0,2,0,0,0,0|2,0,0]=4 7721 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [0,2,0,0,0,0|1,0,0]=3 7722 B9R0.4 CSCC[C@@H](O)CC(=O)O Amb33198734 [0,2,0,0,0,0|1,0,0]=3 7723 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [0,2,0,0,0,0|1,0,0]=3 7724 B9R0.4 CSCC[C@H](O)CC(=O)O Amb33198733 [0,2,0,0,0,0|1,0,0]=3 7725 B9R0.4 CSC\C=C(\C)CC(=O)O Amb24726319 [0,2,0,0,0,0|0,0,1]=3 7726 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [0,2,0,0,0,0|0,0,0]=2 7727 B9R0.4 C\C(=C/C(=O)O)CCCBr Amb27801009 [0,2,0,0,0,0|0,0,2]=4 7728 B9R0.4 C\C(=C/CCCl)CC(N)=O Amb28340517 [0,2,0,0,0,0|1,0,1]=4 7729 B9R0.4 C\C(=C\C(=O)O)CCCCl Amb18126354 [0,2,0,0,0,0|0,0,2]=4 7730 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [0,2,0,0,0,0|1,0,0]=3 7731 B9R0.4 NCCCC(N)CC(=O)O Amb18644278 [0,2,0,0,0,0|1,0,0]=3 7732 B9R0.4 NCCCC(N)CC(=O)O Amb32753541 [0,2,0,0,0,0|1,0,0]=3 7733 B9R0.4 NCCCS(=O)CC(=O)O Amb27965039 [0,2,0,0,0,0|2,0,0]=4 7734 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117039 [0,2,0,0,0,0|1,0,0]=3 7735 B9R0.4 NCCC[C@@H](N)CC(=O)O Amb24117927 [0,2,0,0,0,0|1,0,0]=3 7736 B9R0.4 NCCC[C@H](N)CC(=O)O Amb25757485 [0,2,0,0,0,0|1,0,0]=3 7737 B9R0.4 NCCC[C@H](N)CC(=O)O Amb32684506 [0,2,0,0,0,0|1,0,0]=3 7738 B9R0.4 NCCNC(=O)CC(=O)O Amb27190857 [0,2,0,0,0,0|1,0,1]=4 7739 B9R0.4 O=C(O)CC(=O)NCCF Amb28288540 [0,2,0,0,0,0|1,0,1]=4 7740 B9R0.4 O=C(O)CC(=O)SCCCl Amb27427196 [0,2,0,0,0,0|1,0,1]=4 7741 B9R0.14 C=C(C)CC(CBr)CCC Amb32689649 [0,2,0,0,0,0|2,0,0]=4 7742 B9R0.14 C=C(C)CC(CC)NCC Amb28143463 [0,2,0,0,0,0|2,0,0]=4 7743 B9R0.14 C=C(C)CC(CCl)CCC Amb25132141 [0,2,0,0,0,0|2,0,0]=4 7744 B9R0.14 C=C(C)CC(COC)NC Amb27477454 [0,2,0,0,0,0|2,0,0]=4 7745 B9R0.14 C=C(C)CC(CSC)NC Amb27395580 [0,2,0,0,0,0|2,0,0]=4 7746 B9R0.14 C=C(Cl)CC(CBr)CCC Amb32689753 [0,2,0,0,0,0|2,0,0]=4 7747 B9R0.14 C=C(Cl)CC(CCl)CCC Amb32689727 [0,2,0,0,0,0|2,0,0]=4 7748 B9R0.14 C=CC(CC(=O)O)OCC Amb27882607 [0,2,0,0,0,0|0,0,1]=3 7749 B9R0.14 C=CC(CC(C)=O)OCC Amb28199980 [0,2,0,0,0,0|1,0,1]=4 7750 B9R0.14 C=CC(CCC)CC(=O)O Amb26348136 [0,2,0,0,0,0|0,0,1]=3 7751 B9R0.14 C=CCC(CC)NC(C)=O Amb27858141 [0,2,0,0,0,0|2,0,0]=4 7752 B9R0.14 C=CCC(CC)OC(C)=O Amb28185798 [0,2,0,0,0,0|2,0,0]=4 7753 B9R0.14 C=CCN(CC)CC(=O)O Amb27213293 [0,2,0,0,0,0|1,0,0]=3 7754 B9R0.14 CC(=O)NC(CO)CCO Amb26855329 [0,2,0,0,0,0|2,0,0]=4 7755 B9R0.14 CC(=O)N[C@H](CO)CCO Amb28043105 [0,2,0,0,0,0|2,0,0]=4 7756 B9R0.14 CC(=O)OC(CCl)CCCl Amb22359668 [0,2,0,0,0,0|2,0,0]=4 7757 B9R0.14 CCC(CC#N)CC(C)=O Amb24698909 [0,2,0,0,0,0|1,0,0]=3 7758 B9R0.14 CCC(CC#N)NC(N)=O Amb27426445 [0,2,0,0,0,0|2,0,0]=4 7759 B9R0.14 CCC(CC#N)OC(C)=O Amb27605071 [0,2,0,0,0,0|2,0,0]=4 7760 B9R0.14 CCC(CC(=O)O)NC=O Amb27863300 [0,2,0,0,0,0|0,0,1]=3 7761 B9R0.14 CCC(CC=O)CC(C)=O Amb26587505 [0,2,0,0,0,0|1,0,0]=3 7762 B9R0.14 CCC(CC=O)CC(C)O Amb27792701 [0,2,0,0,0,0|1,0,1]=4 7763 B9R0.14 CCC(CC=O)NC(C)=O Amb27237530 [0,2,0,0,0,0|2,0,0]=4 7764 B9R0.14 CCC(CCN)NC(C)=O Amb19028043 [0,2,0,0,0,0|2,0,0]=4 7765 B9R0.14 CCC(CCN)NC(N)=O Amb18313188 [0,2,0,0,0,0|2,0,0]=4 7766 B9R0.14 CCC(CCO)CC(=O)O Amb27216253 [0,2,0,0,0,0|0,0,0]=2 7767 B9R0.14 CCC(CCO)OC(C)=O Amb28050736 [0,2,0,0,0,0|2,0,0]=4 7768 B9R0.14 CCC(COC)CC(=O)O Amb18202336 [0,2,0,0,0,0|0,0,0]=2 7769 B9R0.14 CCC(COC)NC(N)=O Amb27188879 [0,2,0,0,0,0|2,0,0]=4 7770 B9R0.14 CCCC(C#N)CC(=O)O Amb28132763 [0,2,0,0,0,0|0,0,1]=3 7771 B9R0.14 CCCC(C#N)CC(C)=O Amb25714287 [0,2,0,0,0,0|1,0,1]=4 7772 B9R0.14 CCCC(CC(=O)O)SC Amb27660749 [0,2,0,0,0,0|0,0,0]=2 7773 B9R0.14 CCCC(CC)CC(=O)O Amb18124694 [0,2,0,0,0,0|0,0,0]=2 7774 B9R0.14 CCCC(CC)NC(N)=O Amb4009047 [0,2,0,0,0,0|2,0,0]=4 7775 B9R0.14 CCCC(CC)OC(=O)Cl Amb32655634 [0,2,0,0,0,0|2,0,0]=4 7776 B9R0.14 CCCC(CI)CC(=O)O Amb8395787 [0,2,0,0,0,0|0,0,0]=2 7777 B9R0.14 CCCC(CN)CC(=O)O Amb24587738 [0,2,0,0,0,0|0,0,0]=2 7778 B9R0.14 CCC[C@@H](C#N)CC(=O)O Amb27469248 [0,2,0,0,0,0|0,0,1]=3 7779 B9R0.14 CCC[C@H](C#N)CC(=O)O Amb27219782 [0,2,0,0,0,0|0,0,1]=3 7780 B9R0.14 CCC\C(=C\C(=O)O)CC Amb4020004 [0,2,0,0,0,0|0,0,2]=4 7781 B9R0.14 CCC\C(CC(=O)O)=N/O Amb27755096 [0,2,0,0,0,0|1,0,1]=4 7782 B9R0.14 CCN(CC#N)CC(N)=O Amb27445325 [0,2,0,0,0,0|2,0,0]=4 7783 B9R0.14 CCN(CCN)CC(N)=O Amb27965994 [0,2,0,0,0,0|2,0,0]=4 7784 B9R0.14 CCN(CCO)CC(=O)Cl Amb17142905 [0,2,0,0,0,0|2,0,0]=4 7785 B9R0.14 CCN(CCO)CC(=O)O Amb5761133 [0,2,0,0,0,0|1,0,0]=3 7786 B9R0.14 CCOC(CCl)CC(=O)O Amb27494074 [0,2,0,0,0,0|0,0,0]=2 7787 B9R0.14 CCOC(CCl)CC(C)=O Amb27618172 [0,2,0,0,0,0|1,0,0]=3 7788 B9R0.14 CCO\C(=C\C(=O)O)CC Amb18644142 [0,2,0,0,0,0|0,0,2]=4 7789 B9R0.14 CCO\C(=C\C(=O)O)CO Amb17593652 [0,2,0,0,0,0|0,0,2]=4 7790 B9R0.14 CCSC(CC)CC(=O)O Amb18788141 [0,2,0,0,0,0|0,0,0]=2 7791 B9R0.14 CC[C@H](CC=O)NC(C)=O Amb28050247 [0,2,0,0,0,0|2,0,0]=4 7792 B9R0.14 CC\C(CC(C)=O)=N/NC Amb27256577 [0,2,0,0,0,0|1,0,1]=4 7793 B9R0.14 CNC(COC)CS(C)=O Amb28313125 [0,2,0,0,0,0|2,0,0]=4 7794 B9R0.14 COCC(CCl)NC(C)=O Amb27766500 [0,2,0,0,0,0|2,0,0]=4 7795 B9R0.14 COCC(CCl)OC(=O)Cl Amb27484186 [0,2,0,0,0,0|2,0,0]=4 7796 B9R0.14 COCC(CCl)OC(C)=O Amb27203315 [0,2,0,0,0,0|2,0,0]=4 7797 B9R0.14 COCC(CN)CC(=O)O Amb33428858 [0,2,0,0,0,0|0,0,0]=2 7798 B9R0.14 COCC(CN)NC(N)=O Amb27807301 [0,2,0,0,0,0|2,0,0]=4 7799 B9R0.14 COCC(CO)NC(N)=O Amb28118310 [0,2,0,0,0,0|2,0,0]=4 7800 B9R0.14 COCC(CS(=O)Cl)OC Amb32720897 [0,2,0,0,0,0|2,0,0]=4 7801 B9R0.14 COCC(CS(=O)[O-])OC Amb32755597 [0,2,0,0,0,0|1,0,1]=4 7802 B9R0.14 COCC(CS(N)=O)OC Amb32720915 [0,2,0,0,0,0|2,0,0]=4 7803 B9R0.14 COC[C@H](CO)NC(C)=O Amb28342322 [0,2,0,0,0,0|2,0,0]=4 7804 B9R0.14 COC[C@H](CO)NC(N)=O Amb28453946 [0,2,0,0,0,0|2,0,0]=4 7805 B9R0.14 CON(CCO)CC(N)=O Amb27486813 [0,2,0,0,0,0|2,0,0]=4 7806 B9R0.14 CO\C(=C\C(=O)O)CCO Amb27153734 [0,2,0,0,0,0|0,0,2]=4 7807 B9R0.14 CSCC(CN)CC(=O)O Amb33272064 [0,2,0,0,0,0|0,0,0]=2 7808 B9R0.14 C\C=C\C(CC(C)=O)OC Amb25091874 [0,2,0,0,0,0|1,0,1]=4 7809 B9R0.14 C\C=C\[C@@H](CC)CC(=O)O Amb28422930 [0,2,0,0,0,0|0,0,0]=2 7810 B9R0.14 C\C=C\[S+](CC)CC(=O)O Amb28396538 [0,2,0,0,0,0|1,0,0]=3 7811 B9R0.14 NC(=O)N[C@H](CO)CCO Amb28043702 [0,2,0,0,0,0|2,0,0]=4 7812 B9R0.14 NCC(CCF)CC(=O)O Amb33196466 [0,2,0,0,0,0|0,0,0]=2 7813 B9R0.14 O=C(O)CN(CO)CCO Amb27424060 [0,2,0,0,0,0|1,0,0]=3 7814 B9R0.14 O=NN(CCO)CC(=O)O Amb17618586 [0,2,0,0,0,0|2,0,0]=4 7815 B9R0.34 C#CC(=O)CC(N)CCC Amb27883080 [0,2,0,0,0,0|2,0,0]=4 7816 B9R0.34 C#CC(=O)NC(C)CCO Amb28070125 [0,2,0,0,0,0|2,0,0]=4 7817 B9R0.34 C#CC(=O)N[C@H](C)CCO Amb27590955 [0,2,0,0,0,0|2,0,0]=4 7818 B9R0.34 C#CC(=O)N[C@H](C)COC Amb27198381 [0,2,0,0,0,0|2,0,0]=4 7819 B9R0.34 C#CCC(=O)CC(C)CC Amb27652881 [0,2,0,0,0,0|1,0,0]=3 7820 B9R0.34 C#CCC(=O)CC(C)CN Amb28050386 [0,2,0,0,0,0|2,0,0]=4 7821 B9R0.34 C#CCC(=O)CC(C)OC Amb27163010 [0,2,0,0,0,0|2,0,0]=4 7822 B9R0.34 C=C(CC)CC(=O)COC Amb27431154 [0,2,0,0,0,0|0,0,2]=4 7823 B9R0.34 C=CC(=O)CC(N)CCC Amb27842052 [0,2,0,0,0,0|2,0,0]=4 7824 B9R0.34 C=CC(=O)NC(C)CCN Amb27171351 [0,2,0,0,0,0|2,0,0]=4 7825 B9R0.34 C=CC(=O)O[C@H](C)CCO Amb27980402 [0,2,0,0,0,0|2,0,0]=4 7826 B9R0.34 C=CCC(=O)C[C@@H](O)CC Amb27950899 [0,2,0,0,0,0|2,0,0]=4 7827 B9R0.34 C=CC[C@@H](C)CC(=O)OC Amb27265905 [0,2,0,0,0,0|0,0,1]=3 7828 B9R0.34 CC#CC(C)OC(=O)CO Amb27452082 [0,2,0,0,0,0|1,0,1]=4 7829 B9R0.34 CC(C=O)CC(C)CCO Amb27750291 [0,2,0,0,0,0|1,0,1]=4 7830 B9R0.34 CC(CCCl)OC(=O)CCl Amb27454365 [0,2,0,0,0,0|2,0,0]=4 7831 B9R0.34 CC(CCN)CC(=O)NN Amb27190971 [0,2,0,0,0,0|1,0,0]=3 7832 B9R0.34 CC(CCN)NC(=O)CN Amb28194525 [0,2,0,0,0,0|2,0,0]=4 7833 B9R0.34 CC(CCO)NC(=O)CBr Amb27229554 [0,2,0,0,0,0|2,0,0]=4 7834 B9R0.34 CC(CO)CC(C)CCO Amb27616375 [0,2,0,0,0,0|1,0,1]=4 7835 B9R0.34 CCC(=O)CC(=O)COC Amb27802799 [0,2,0,0,0,0|1,0,1]=4 7836 B9R0.34 CCC(=O)CN(C)CCO Amb27776420 [0,2,0,0,0,0|2,0,0]=4 7837 B9R0.34 CCC(=O)NC(C)CCCl Amb27761060 [0,2,0,0,0,0|2,0,0]=4 7838 B9R0.34 CCC(=O)NC(C)CSC Amb27862227 [0,2,0,0,0,0|2,0,0]=4 7839 B9R0.34 CCC(=O)N[C@H](C)CCO Amb27487290 [0,2,0,0,0,0|2,0,0]=4 7840 B9R0.34 CCC(=O)OC(C)CSC Amb27651506 [0,2,0,0,0,0|2,0,0]=4 7841 B9R0.34 CCC(C)CC(=O)CNC Amb28050437 [0,2,0,0,0,0|1,0,0]=3 7842 B9R0.34 CCC(C)CC(=O)NC#N Amb28132083 [0,2,0,0,0,0|1,0,0]=3 7843 B9R0.34 CCC(C)CC(=O)OCCl Amb32677197 [0,2,0,0,0,0|0,0,0]=2 7844 B9R0.34 CCC(C)CC(N)CCO Amb28399464 [0,2,0,0,0,0|1,0,1]=4 7845 B9R0.34 CCC(C)CC(N)COC Amb27780452 [0,2,0,0,0,0|1,0,1]=4 7846 B9R0.34 CCC(C)CC(O)CC#N Amb27849213 [0,2,0,0,0,0|1,0,1]=4 7847 B9R0.34 CCC(C)CC(O)CCN Amb25127021 [0,2,0,0,0,0|1,0,1]=4 7848 B9R0.34 CCC(C)CC(O)CNC Amb27254570 [0,2,0,0,0,0|1,0,1]=4 7849 B9R0.34 CCC(C)CC(O)CSC Amb18798164 [0,2,0,0,0,0|0,1,1]=4 7850 B9R0.34 CCC(C)CS(=O)CCO Amb27594392 [0,2,0,0,0,0|1,0,0]=3 7851 B9R0.34 CCC(C)NC(=O)CC#N Amb5781531 [0,2,0,0,0,0|2,0,0]=4 7852 B9R0.34 CCC(C)NC(=O)CCBr Amb17328291 [0,2,0,0,0,0|2,0,0]=4 7853 B9R0.34 CCC(C)NC(=O)CCCl Amb1141567 [0,2,0,0,0,0|2,0,0]=4 7854 B9R0.34 CCC(C)NC(=O)CCN Amb10609171 [0,2,0,0,0,0|2,0,0]=4 7855 B9R0.34 CCC(C)NC(=O)CCN Amb1129019 [0,2,0,0,0,0|2,0,0]=4 7856 B9R0.34 CCC(C)NC(=O)CCO Amb17334240 [0,2,0,0,0,0|1,0,0]=3 7857 B9R0.34 CCC(C)NC(=O)CON Amb27229481 [0,2,0,0,0,0|1,0,0]=3 7858 B9R0.34 CCC(C)OC(=O)CC#N Amb17210521 [0,2,0,0,0,0|2,0,0]=4 7859 B9R0.34 CCC(N)CS(=O)CCO Amb28322242 [0,2,0,0,0,0|2,0,0]=4 7860 B9R0.34 CCC(N)CS(=O)COC Amb27817342 [0,2,0,0,0,0|2,0,0]=4 7861 B9R0.34 CCCC(=O)CC(=O)OC Amb6608869 [0,2,0,0,0,0|1,0,1]=4 7862 B9R0.34 CCCC(=O)CC(C)CO Amb28381269 [0,2,0,0,0,0|2,0,0]=4 7863 B9R0.34 CCCC(=O)CC(N)CC Amb27247540 [0,2,0,0,0,0|2,0,0]=4 7864 B9R0.34 CCCC(=O)CN(C)CC Amb27272961 [0,2,0,0,0,0|2,0,0]=4 7865 B9R0.34 CCCC(=O)C[C@@H](C)CC Amb28351517 [0,2,0,0,0,0|1,0,0]=3 7866 B9R0.34 CCCC(=O)C[C@H](O)CC Amb27434206 [0,2,0,0,0,0|2,0,0]=4 7867 B9R0.34 CCCC(=O)OC(C)CC Amb22732903 [0,2,0,0,0,0|2,0,0]=4 7868 B9R0.34 CCCC(C)CC(=O)NC Amb24478965 [0,2,0,0,0,0|1,0,0]=3 7869 B9R0.34 CCCC(C)CC(=O)NO Amb27604245 [0,2,0,0,0,0|0,0,0]=2 7870 B9R0.34 CCCC(C)CC(=O)OC Amb25125122 [0,2,0,0,0,0|0,0,0]=2 7871 B9R0.34 CCCC(C)CC(C)CO Amb27869680 [0,2,0,0,0,0|1,0,1]=4 7872 B9R0.34 CCCC(C)CC(N)CO Amb27770369 [0,2,0,0,0,0|1,0,1]=4 7873 B9R0.34 CCCC(C)CC(O)CC Amb27946318 [0,2,0,0,0,0|1,0,1]=4 7874 B9R0.34 CCCC(C)CC(O)CN Amb24718688 [0,2,0,0,0,0|1,0,1]=4 7875 B9R0.34 CCCC(C)C\C(N)=N\O Amb27814878 [0,2,0,0,0,0|1,0,0]=3 7876 B9R0.34 CCCC(C)NC(=O)CCl Amb371574 [0,2,0,0,0,0|2,0,0]=4 7877 B9R0.34 CCCC(C)OC(=O)CCl Amb27234645 [0,2,0,0,0,0|2,0,0]=4 7878 B9R0.34 CCCC(C)OC(=O)CN Amb28422290 [0,2,0,0,0,0|2,0,0]=4 7879 B9R0.34 CCCC(C)\C=C(/C)C=O Amb24381942 [0,2,0,0,0,0|1,0,1]=4 7880 B9R0.34 CCCC(C)\C=C(\C)CO Amb27171160 [0,2,0,0,0,0|1,0,1]=4 7881 B9R0.34 CCCC(Cl)CC(=O)OC Amb27233458 [0,2,0,0,0,0|1,0,0]=3 7882 B9R0.34 CCCC(N)CC(=O)OC Amb22059489 [0,2,0,0,0,0|1,0,0]=3 7883 B9R0.34 CCCC(N)CC(=O)OC Amb28555525 [0,2,0,0,0,0|1,0,0]=3 7884 B9R0.34 CCCC(O)CC(=O)CC Amb28204050 [0,2,0,0,0,0|2,0,0]=4 7885 B9R0.34 CCCC(O)CC(=O)OC Amb21928831 [0,2,0,0,0,0|1,0,0]=3 7886 B9R0.34 CCCC(O)C[C@@H](C)CC Amb27470864 [0,2,0,0,0,0|1,0,1]=4 7887 B9R0.34 CCC[C@@H](C)C[C@@H](C)CO Amb26920680 [0,2,0,0,0,0|1,0,1]=4 7888 B9R0.34 CCC[C@@H](C)C[C@H](C)CO Amb26632583 [0,2,0,0,0,0|1,0,1]=4 7889 B9R0.34 CCC[C@@H](N)CC(=O)OC Amb26034917 [0,2,0,0,0,0|1,0,0]=3 7890 B9R0.34 CCC[C@@H](N)CC(=O)OC Amb33456865 [0,2,0,0,0,0|1,0,0]=3 7891 B9R0.34 CCC[C@@H](O)CC(=O)NC Amb27949385 [0,2,0,0,0,0|2,0,0]=4 7892 B9R0.34 CCC[C@@H](O)CC(=O)OC Amb26516817 [0,2,0,0,0,0|1,0,0]=3 7893 B9R0.34 CCC[C@H](N)CC(=O)OC Amb25147500 [0,2,0,0,0,0|1,0,0]=3 7894 B9R0.34 CCC[C@H](N)CC(=O)OC Amb33457265 [0,2,0,0,0,0|1,0,0]=3 7895 B9R0.34 CCC[C@H](O)CC(=O)NC Amb27389947 [0,2,0,0,0,0|2,0,0]=4 7896 B9R0.34 CCC[C@H](O)CC(=O)NN Amb27770510 [0,2,0,0,0,0|2,0,0]=4 7897 B9R0.34 CCC[C@H](O)CC(=O)OC Amb26357957 [0,2,0,0,0,0|1,0,0]=3 7898 B9R0.34 CCN(C)NC(=O)COC Amb28241677 [0,2,0,0,0,0|2,0,0]=4 7899 B9R0.34 CCNC(=O)CC(=O)OC Amb17399890 [0,2,0,0,0,0|1,0,1]=4 7900 B9R0.34 CCNC(=O)CC(C)CN Amb28291279 [0,2,0,0,0,0|2,0,0]=4 7901 B9R0.34 CCNC(=O)CN(C)CC Amb27827233 [0,2,0,0,0,0|2,0,0]=4 7902 B9R0.34 CCNC(=O)NC(C)CC Amb8433248 [0,2,0,0,0,0|2,0,0]=4 7903 B9R0.34 CCNC(=O)OC(C)CC Amb25239324 [0,2,0,0,0,0|2,0,0]=4 7904 B9R0.34 CCNC(=O)SC(C)CC Amb28049868 [0,2,0,0,0,0|2,0,0]=4 7905 B9R0.34 CCNC(C)CC(=O)OC Amb9398370 [0,2,0,0,0,0|0,0,0]=2 7906 B9R0.34 CCOC(=N)CC(=O)OC Amb27259055 [0,2,0,0,0,0|1,0,1]=4 7907 B9R0.34 CCOC(=N)CC(C)OC Amb27242303 [0,2,0,0,0,0|2,0,0]=4 7908 B9R0.34 CCOC(=O)CC(=O)CC Amb4477016 [0,2,0,0,0,0|1,0,1]=4 7909 B9R0.34 CCOC(=O)CC(=O)CO Amb25759916 [0,2,0,0,0,0|1,0,1]=4 7910 B9R0.34 CCOC(=O)CC(=O)OC Amb27628258 [0,2,0,0,0,0|1,0,1]=4 7911 B9R0.34 CCOC(=O)CC(=O)O[K] Amb2893131 [0,2,0,0,0,0|1,0,1]=4 7912 B9R0.34 CCOC(=O)CC(Br)CBr Amb28050307 [0,2,0,0,0,0|2,0,0]=4 7913 B9R0.34 CCOC(=O)CC(C)CBr Amb28315785 [0,2,0,0,0,0|1,0,0]=3 7914 B9R0.34 CCOC(=O)CC(C)CN Amb22059484 [0,2,0,0,0,0|1,0,0]=3 7915 B9R0.34 CCOC(=O)CC(C)CN Amb28555540 [0,2,0,0,0,0|1,0,0]=3 7916 B9R0.34 CCOC(=O)CC(C)NC Amb8428178 [0,2,0,0,0,0|1,0,0]=3 7917 B9R0.34 CCOC(=O)CC(C)SC Amb18798150 [0,2,0,0,0,0|1,0,0]=3 7918 B9R0.34 CCOC(=O)CC(F)CI Amb22738582 [0,2,0,0,0,0|2,0,0]=4 7919 B9R0.34 CCOC(=O)CC(N)CC Amb18644203 [0,2,0,0,0,0|1,0,0]=3 7920 B9R0.34 CCOC(=O)CC(N)CF Amb27788147 [0,2,0,0,0,0|2,0,0]=4 7921 B9R0.34 CCOC(=O)CC(N)CO Amb24477090 [0,2,0,0,0,0|2,0,0]=4 7922 B9R0.34 CCOC(=O)CC(N)CO Amb32652519 [0,2,0,0,0,0|2,0,0]=4 7923 B9R0.34 CCOC(=O)CC(O)CBr Amb22733258 [0,2,0,0,0,0|2,0,0]=4 7924 B9R0.34 CCOC(=O)CC(O)CC Amb24476858 [0,2,0,0,0,0|1,0,0]=3 7925 B9R0.34 CCOC(=O)CC(O)CCl Amb17594152 [0,2,0,0,0,0|2,0,0]=4 7926 B9R0.34 CCOC(=O)CC(O)CI Amb22736620 [0,2,0,0,0,0|2,0,0]=4 7927 B9R0.34 CCOC(=O)CC(O)CN Amb25095715 [0,2,0,0,0,0|2,0,0]=4 7928 B9R0.34 CCOC(=O)CS(=O)CC Amb18788301 [0,2,0,0,0,0|2,0,0]=4 7929 B9R0.34 CCOC(=O)C[C@@H](C)CBr Amb27817654 [0,2,0,0,0,0|1,0,0]=3 7930 B9R0.34 CCOC(=O)C[C@@H](C)CN Amb32674505 [0,2,0,0,0,0|1,0,0]=3 7931 B9R0.34 CCOC(=O)C[C@@H](C)NC Amb33495839 [0,2,0,0,0,0|1,0,0]=3 7932 B9R0.34 CCOC(=O)C[C@@H](N)CC Amb26960441 [0,2,0,0,0,0|1,0,0]=3 7933 B9R0.34 CCOC(=O)C[C@@H](O)CC Amb27839424 [0,2,0,0,0,0|1,0,0]=3 7934 B9R0.34 CCOC(=O)C[C@@H](O)CCl Amb4166305 [0,2,0,0,0,0|2,0,0]=4 7935 B9R0.34 CCOC(=O)C[C@@H](O)CN Amb25224575 [0,2,0,0,0,0|2,0,0]=4 7936 B9R0.34 CCOC(=O)C[C@@H](O)CO Amb27839245 [0,2,0,0,0,0|2,0,0]=4 7937 B9R0.34 CCOC(=O)C[C@H](C)C=O Amb28049963 [0,2,0,0,0,0|1,0,1]=4 7938 B9R0.34 CCOC(=O)C[C@H](C)CN Amb33737746 [0,2,0,0,0,0|1,0,0]=3 7939 B9R0.34 CCOC(=O)C[C@H](N)CC Amb24351614 [0,2,0,0,0,0|1,0,0]=3 7940 B9R0.34 CCOC(=O)C[C@H](O)CBr Amb8386082 [0,2,0,0,0,0|2,0,0]=4 7941 B9R0.34 CCOC(=O)C[C@H](O)CCl Amb4166309 [0,2,0,0,0,0|2,0,0]=4 7942 B9R0.34 CCOC(=O)C[C@H](O)CI Amb26580575 [0,2,0,0,0,0|2,0,0]=4 7943 B9R0.34 CCOC(=O)C[C@H](O)CN Amb27424973 [0,2,0,0,0,0|2,0,0]=4 7944 B9R0.34 CCOC(=O)C[C@H](O)CO Amb28144865 [0,2,0,0,0,0|2,0,0]=4 7945 B9R0.34 CCOC(=O)NC(C)CC Amb17858944 [0,2,0,0,0,0|1,0,0]=3 7946 B9R0.34 CCOC(=O)NC(C)CCl Amb27815105 [0,2,0,0,0,0|2,0,0]=4 7947 B9R0.34 CCOC(=O)NC(C)CN Amb28399131 [0,2,0,0,0,0|2,0,0]=4 7948 B9R0.34 CCOC(=O)N[C@@H](C)CC Amb27770584 [0,2,0,0,0,0|1,0,0]=3 7949 B9R0.34 CCOC(=O)N[C@@H](C)CO Amb25836094 [0,2,0,0,0,0|2,0,0]=4 7950 B9R0.34 CCOC(=O)OC(C)CCl Amb28072878 [0,2,0,0,0,0|2,0,0]=4 7951 B9R0.34 CCOC(=O)OC(C)CO Amb28190260 [0,2,0,0,0,0|2,0,0]=4 7952 B9R0.34 CCOC(C)CC(N)CO Amb33425390 [0,2,0,0,0,0|1,0,1]=4 7953 B9R0.34 CCOC(C)CC(O)CN Amb33425019 [0,2,0,0,0,0|1,0,1]=4 7954 B9R0.34 CCOC(O)CC(=O)CCl Amb28255324 [0,2,0,0,0,0|2,0,0]=4 7955 B9R0.34 CCO\C(C)=C\C(=O)OC Amb27871317 [0,2,0,0,0,0|0,0,2]=4 7956 B9R0.34 CCS(=O)CC(=O)NOC Amb28454728 [0,2,0,0,0,0|2,0,0]=4 7957 B9R0.34 CCSC(=O)CC(O)CC Amb27662004 [0,2,0,0,0,0|1,1,0]=4 7958 B9R0.34 CCSC(=O)NC(C)CC Amb28049869 [0,2,0,0,0,0|1,1,0]=4 7959 B9R0.34 CC[C@@H](C)NC(=O)CCN Amb32992596 [0,2,0,0,0,0|2,0,0]=4 7960 B9R0.34 CC[C@@H](C)NC(=O)CCN Amb32992597 [0,2,0,0,0,0|2,0,0]=4 7961 B9R0.34 CC[C@H](C)C[C@@H](C)CC=O Amb27645866 [0,2,0,0,0,0|1,0,1]=4 7962 B9R0.34 CC[C@H](C)C[C@@H](C)CCO Amb27197151 [0,2,0,0,0,0|1,0,1]=4 7963 B9R0.34 CC\C(C)=C/C(=O)CCO Amb27236279 [0,2,0,0,0,0|0,0,2]=4 7964 B9R0.34 CN(CCO)CC(=O)NN Amb24477910 [0,2,0,0,0,0|2,0,0]=4 7965 B9R0.34 CNC(=O)NC(C)CSC Amb27466781 [0,2,0,0,0,0|2,0,0]=4 7966 B9R0.34 CNCC(C)CC(C)CO Amb32759415 [0,2,0,0,0,0|1,0,1]=4 7967 B9R0.34 CNCC(C)CC(C)OC Amb27469548 [0,2,0,0,0,0|1,0,1]=4 7968 B9R0.34 CNCC(C)NC(=O)NC Amb27464336 [0,2,0,0,0,0|2,0,0]=4 7969 B9R0.34 CNCC(C)OC(=O)OC Amb27635719 [0,2,0,0,0,0|1,0,0]=3 7970 B9R0.34 CNC[C@H](O)CC(=O)OC Amb28315995 [0,2,0,0,0,0|1,0,0]=3 7971 B9R0.34 COC(=O)CC(=O)CCF Amb33196430 [0,2,0,0,0,0|1,0,1]=4 7972 B9R0.34 COC(=O)CC(=O)CSC Amb24441248 [0,2,0,0,0,0|1,0,1]=4 7973 B9R0.34 COC(=O)CC(C)CCN Amb24546678 [0,2,0,0,0,0|0,0,0]=2 7974 B9R0.34 COC(=O)CC(C)N=C=O Amb27863975 [0,2,0,0,0,0|1,0,1]=4 7975 B9R0.34 COC(=O)CC(C)NC=O Amb27403115 [0,2,0,0,0,0|1,0,1]=4 7976 B9R0.34 COC(=O)CC(N)CCO Amb27250761 [0,2,0,0,0,0|1,0,0]=3 7977 B9R0.34 COC(=O)CC(O)CCF Amb33196113 [0,2,0,0,0,0|1,0,0]=3 7978 B9R0.34 COC(=O)CC(O)CSC Amb24412887 [0,2,0,0,0,0|1,0,0]=3 7979 B9R0.34 COC(=O)CN(C)CC#N Amb24478119 [0,2,0,0,0,0|1,0,1]=4 7980 B9R0.34 COC(=O)CN(C)CCN Amb22059127 [0,2,0,0,0,0|1,0,0]=3 7981 B9R0.34 COC(=O)CN(C)CCN Amb32686889 [0,2,0,0,0,0|1,0,0]=3 7982 B9R0.34 COC(=O)CN(C)CCO Amb27837585 [0,2,0,0,0,0|1,0,0]=3 7983 B9R0.34 COC(=O)C[C@@H](C)CCO Amb27946901 [0,2,0,0,0,0|0,0,0]=2 7984 B9R0.34 COC(=O)C[C@@H](C)N=C=O Amb33471399 [0,2,0,0,0,0|1,0,1]=4 7985 B9R0.34 COC(=O)C[C@@H](C)N=C=S Amb33471632 [0,2,0,0,0,0|1,0,1]=4 7986 B9R0.34 COC(=O)C[C@@H](O)CC#N Amb27838940 [0,2,0,0,0,0|1,0,1]=4 7987 B9R0.34 COC(=O)C[C@@H](O)CCF Amb33196115 [0,2,0,0,0,0|1,0,0]=3 7988 B9R0.34 COC(=O)C[C@@H](O)CSC Amb25266160 [0,2,0,0,0,0|1,0,0]=3 7989 B9R0.34 COC(=O)C[C@H](C)N=C=O Amb33471412 [0,2,0,0,0,0|1,0,1]=4 7990 B9R0.34 COC(=O)C[C@H](C)N=C=S Amb33471645 [0,2,0,0,0,0|1,0,1]=4 7991 B9R0.34 COC(=O)C[C@H](O)CC#N Amb26319177 [0,2,0,0,0,0|1,0,1]=4 7992 B9R0.34 COC(=O)C[C@H](O)CCF Amb33196104 [0,2,0,0,0,0|1,0,0]=3 7993 B9R0.34 COC(=O)C[C@H](O)CSC Amb33271735 [0,2,0,0,0,0|1,0,0]=3 7994 B9R0.34 COC(=O)C\C(C)=C\CO Amb27206533 [0,2,0,0,0,0|0,0,2]=4 7995 B9R0.34 COC(=O)NC(C)CC#N Amb27800485 [0,2,0,0,0,0|1,0,1]=4 7996 B9R0.34 COC(=O)NC(C)CCN Amb28429790 [0,2,0,0,0,0|1,0,0]=3 7997 B9R0.34 COC(=O)NC(C)CSC Amb27254674 [0,2,0,0,0,0|1,0,0]=3 7998 B9R0.34 COC(=O)N[C@H](C)CCO Amb27261062 [0,2,0,0,0,0|1,0,0]=3 7999 B9R0.34 COC(=O)OC(C)CCO Amb28065268 [0,2,0,0,0,0|1,0,0]=3 8000 B9R0.34 COC(=O)\C=C(\C)CCBr Amb27635730 [0,2,0,0,0,0|0,0,2]=4 8001 B9R0.34 COC(=O)\C=C(\C)CCO Amb28281735 [0,2,0,0,0,0|0,0,2]=4 8002 B9R0.34 COC(C)C\C(C)=C\CO Amb28050611 [0,2,0,0,0,0|2,0,0]=4 8003 B9R0.34 COCC(=O)CC(=O)OC Amb2694679 [0,2,0,0,0,0|1,0,1]=4 8004 B9R0.34 COCC(=O)CC(C)CN Amb27190696 [0,2,0,0,0,0|1,0,0]=3 8005 B9R0.34 COCC(C)CC(=O)CN Amb28206071 [0,2,0,0,0,0|1,0,0]=3 8006 B9R0.34 COCC(C)CC(=O)NO Amb27485247 [0,2,0,0,0,0|0,0,0]=2 8007 B9R0.34 COCC(C)CC(C)C=O Amb27765630 [0,2,0,0,0,0|1,0,1]=4 8008 B9R0.34 COCC(C)CC(C)CO Amb27792548 [0,2,0,0,0,0|1,0,1]=4 8009 B9R0.34 COCC(C)CN(C)C=O Amb28049825 [0,2,0,0,0,0|2,0,0]=4 8010 B9R0.34 COCC(C)C\C(N)=N\O Amb33033620 [0,2,0,0,0,0|1,0,0]=3 8011 B9R0.34 COCC(C)NC(=O)CBr Amb17327377 [0,2,0,0,0,0|2,0,0]=4 8012 B9R0.34 COCC(C)NC(=O)CCl Amb1204382 [0,2,0,0,0,0|2,0,0]=4 8013 B9R0.34 COCC(C)NC(=O)CN Amb6258707 [0,2,0,0,0,0|2,0,0]=4 8014 B9R0.34 COCC(C)NC(=O)CS Amb28124284 [0,2,0,0,0,0|1,1,0]=4 8015 B9R0.34 COCC(C)OC(=O)CCl Amb27250711 [0,2,0,0,0,0|2,0,0]=4 8016 B9R0.34 COCC(C)OC(=O)CN Amb18114762 [0,2,0,0,0,0|2,0,0]=4 8017 B9R0.34 COCC(C)\C=C(\C)C=O Amb27881826 [0,2,0,0,0,0|1,0,1]=4 8018 B9R0.34 COCC(C)\C=C(\C)CO Amb27413280 [0,2,0,0,0,0|1,0,1]=4 8019 B9R0.34 COCC(N)CC(=O)OC Amb24393406 [0,2,0,0,0,0|1,0,0]=3 8020 B9R0.34 COCC(N)CC(=O)OC Amb32753354 [0,2,0,0,0,0|1,0,0]=3 8021 B9R0.34 COCC(O)CC(=O)OC Amb26613027 [0,2,0,0,0,0|1,0,0]=3 8022 B9R0.34 COC[C@@H](N)CC(=O)OC Amb25118860 [0,2,0,0,0,0|1,0,0]=3 8023 B9R0.34 COC[C@@H](N)CC(=O)OC Amb32674883 [0,2,0,0,0,0|1,0,0]=3 8024 B9R0.34 COC[C@@H](O)CC(=O)OC Amb27664269 [0,2,0,0,0,0|1,0,0]=3 8025 B9R0.34 COC[C@H](N)CC(=O)OC Amb24518573 [0,2,0,0,0,0|1,0,0]=3 8026 B9R0.34 COC[C@H](N)CC(=O)OC Amb33330971 [0,2,0,0,0,0|1,0,0]=3 8027 B9R0.34 COC[C@H](O)CC(=O)OC Amb26035488 [0,2,0,0,0,0|1,0,0]=3 8028 B9R0.34 CONC(=O)CC(C)OC Amb27827251 [0,2,0,0,0,0|1,0,0]=3 8029 B9R0.34 CONC(=O)CC(C)SC Amb27752774 [0,2,0,0,0,0|1,0,0]=3 8030 B9R0.34 CONC(=O)CN(C)OC Amb27857755 [0,2,0,0,0,0|2,0,0]=4 8031 B9R0.34 CONC(=O)NC(C)CF Amb28069918 [0,2,0,0,0,0|2,0,0]=4 8032 B9R0.34 CONC(C)CC(=O)OC Amb28322749 [0,2,0,0,0,0|1,0,0]=3 8033 B9R0.34 CSCC(C)NC(=O)CBr Amb27984508 [0,2,0,0,0,0|2,0,0]=4 8034 B9R0.34 CSCC(C)NC(=O)CCl Amb27806679 [0,2,0,0,0,0|2,0,0]=4 8035 B9R0.34 CSCC(C)NC(=O)CN Amb27164701 [0,2,0,0,0,0|2,0,0]=4 8036 B9R0.34 C\C=C\C(=O)CC(C)CC Amb27839574 [0,2,0,0,0,0|1,0,0]=3 8037 B9R0.34 C\C=C\C(=O)OC(C)CC Amb5720200 [0,2,0,0,0,0|2,0,0]=4 8038 B9R0.34 C\C=C\C(C)OC(=O)CO Amb27763573 [0,2,0,0,0,0|1,0,1]=4 8039 B9R0.34 C\C=C\C(O)CC(=O)OC Amb27171766 [0,2,0,0,0,0|1,0,1]=4 8040 B9R0.34 C\C=C\[C@@H](N)CC(=O)OC Amb27394449 [0,2,0,0,0,0|1,0,1]=4 8041 B9R0.34 C\C=C\[C@H](O)CC(=O)OC Amb27980361 [0,2,0,0,0,0|1,0,1]=4 8042 B9R0.44 CC(CCN)CS(C)(=O)=O Amb33056372 [0,2,0,0,0,0|1,0,1]=4 8043 B9R0.44 CC(CCO)CC(C)(C)O Amb27218554 [0,2,0,0,0,0|1,0,1]=4 8044 B9R0.44 CCCC(C)CC(C)(C)O Amb27633139 [0,2,0,0,0,0|1,0,1]=4 8045 B9R0.44 CCCC(C)CS(=O)(=O)Cl Amb18325512 [0,2,0,0,0,0|1,0,1]=4 8046 B9R0.44 CCCC(C)CS(=O)(=O)F Amb19515127 [0,2,0,0,0,0|1,0,1]=4 8047 B9R0.44 CCCC(C)CS(N)(=O)=O Amb18800966 [0,2,0,0,0,0|1,0,1]=4 8048 B9R0.44 CCCC(C)OP(=O)(O)O Amb25366416 [0,2,0,0,0,0|2,0,0]=4 8049 B9R0.44 CCNC(C)CP(=O)(O)O Amb27402609 [0,2,0,0,0,0|1,0,0]=3 8050 B9R0.44 CCNC(C)CS(=O)(=O)F Amb33464010 [0,2,0,0,0,0|1,0,1]=4 8051 B9R0.44 CCNC(C)CS(C)(=O)=O Amb19029792 [0,2,0,0,0,0|1,0,1]=4 8052 B9R0.44 CCOC(C)CC(C)(C)O Amb33425397 [0,2,0,0,0,0|1,0,1]=4 8053 B9R0.44 CCOC(C)CS(=O)(=O)Cl Amb33056091 [0,2,0,0,0,0|1,0,1]=4 8054 B9R0.44 CCOC(C)CS(=O)(=O)F Amb33056262 [0,2,0,0,0,0|1,0,1]=4 8055 B9R0.44 CCOC(C)CS(N)(=O)=O Amb33056266 [0,2,0,0,0,0|1,0,1]=4 8056 B9R0.44 CN(CCO)CP(=O)(O)O Amb24557213 [0,2,0,0,0,0|2,0,0]=4 8057 B9R0.44 COCC(C)CS(=O)(=O)Cl Amb27436437 [0,2,0,0,0,0|1,0,1]=4 8058 B9R0.44 COCC(C)CS(=O)(=O)F Amb32717611 [0,2,0,0,0,0|1,0,1]=4 8059 B9R0.44 COCC(C)CS(N)(=O)=O Amb27188547 [0,2,0,0,0,0|1,0,1]=4 8060 B9R0.44 CP(=O)(O)CC(O)CCN Amb27950547 [0,2,0,0,0,0|2,0,0]=4 8061 B9R0.44 CSCC(N)CS(=O)(=O)O Amb27464436 [0,2,0,0,0,0|2,0,0]=4 8062 B9R0.44 C[C@H](CCO)CC(C)(C)O Amb27762790 [0,2,0,0,0,0|1,0,1]=4 8063 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [0,2,0,0,0,0|1,0,0]=3 8064 B9R0.53 C=C(C)CC(C)CC(C)C Amb27391628 [0,2,0,0,0,0|2,0,0]=4 8065 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [0,2,0,0,0,0|1,0,0]=3 8066 B9R0.53 C=C(CC(=O)O)CC(C)C Amb18643897 [0,2,0,0,0,0|0,0,2]=4 8067 B9R0.53 CC(=O)CC(C)CC(C)C Amb20621119 [0,2,0,0,0,0|1,0,0]=3 8068 B9R0.53 CC(=O)CC(C)CN(C)C Amb28252208 [0,2,0,0,0,0|1,0,0]=3 8069 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,2,0,0,0,0|2,0,0]=4 8070 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [0,2,0,0,0,0|2,0,0]=4 8071 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,2,0,0,0,0|0,0,0]=2 8072 B9R0.53 CC(=O)C[C@@H](O)CC(C)C Amb27471828 [0,2,0,0,0,0|2,0,0]=4 8073 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,2,0,0,0,0|1,0,1]=4 8074 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [0,2,0,0,0,0|2,0,0]=4 8075 B9R0.53 CC(=O)C\C(C)=N\C(C)O Amb27640588 [0,2,0,0,0,0|1,0,1]=4 8076 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,2,0,0,0,0|0,0,1]=3 8077 B9R0.53 CC(=O)NC(C)CC(C)Br Amb28255391 [0,2,0,0,0,0|2,0,0]=4 8078 B9R0.53 CC(=O)NC(C)CC(C)Cl Amb27851051 [0,2,0,0,0,0|2,0,0]=4 8079 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,2,0,0,0,0|1,0,1]=4 8080 B9R0.53 CC(=O)NC(C)CS(C)=O Amb27243706 [0,2,0,0,0,0|2,0,0]=4 8081 B9R0.53 CC(=O)NC(C)OC(C)C Amb22729317 [0,2,0,0,0,0|2,0,0]=4 8082 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,2,0,0,0,0|1,0,1]=4 8083 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,2,0,0,0,0|0,0,1]=3 8084 B9R0.53 CC(=O)N[C@H](C)CN(C)C Amb27198150 [0,2,0,0,0,0|2,0,0]=4 8085 B9R0.53 CC(=O)OC(C)CC(C)Br Amb27257886 [0,2,0,0,0,0|2,0,0]=4 8086 B9R0.53 CC(=O)OC(C)CC(C)C Amb22733405 [0,2,0,0,0,0|2,0,0]=4 8087 B9R0.53 CC(=O)OC(C)CC(C)Cl Amb28119662 [0,2,0,0,0,0|2,0,0]=4 8088 B9R0.53 CC(=O)OC(C)CN(C)C Amb4020548 [0,2,0,0,0,0|2,0,0]=4 8089 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,2,0,0,0,0|0,0,1]=3 8090 B9R0.53 CC(=O)O[C@H](C)C[C@@H](C)Cl Amb27945614 [0,2,0,0,0,0|2,0,0]=4 8091 B9R0.53 CC(=O)O[C@H](C)C[C@H](C)Cl Amb27433810 [0,2,0,0,0,0|2,0,0]=4 8092 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,2,0,0,0,0|0,0,1]=3 8093 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [0,2,0,0,0,0|0,0,0]=2 8094 B9R0.53 CC(C)CC(C)CC(C)O Amb33546273 [0,2,0,0,0,0|1,0,1]=4 8095 B9R0.53 CC(C)CC(C)NC(=O)Cl Amb35625633 [0,2,0,0,0,0|2,0,0]=4 8096 B9R0.53 CC(C)CC(C)OC(=O)Cl Amb33531475 [0,2,0,0,0,0|2,0,0]=4 8097 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [0,2,0,0,0,0|1,0,0]=3 8098 B9R0.53 CC(C)CC(N)CC(N)=O Amb25785407 [0,2,0,0,0,0|2,0,0]=4 8099 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [0,2,0,0,0,0|1,0,0]=3 8100 B9R0.53 CC(C)CN(C)CC(=O)O Amb8900040 [0,2,0,0,0,0|1,0,0]=3 8101 B9R0.53 CC(C)CN(C)CC(N)=O Amb28204122 [0,2,0,0,0,0|2,0,0]=4 8102 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [0,2,0,0,0,0|1,0,0]=3 8103 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [0,2,0,0,0,0|1,0,0]=3 8104 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [0,2,0,0,0,0|1,0,0]=3 8105 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [0,2,0,0,0,0|1,0,0]=3 8106 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [0,2,0,0,0,0|1,0,0]=3 8107 B9R0.53 CC(C)C[C@H](N)CC(N)=O Amb28120875 [0,2,0,0,0,0|2,0,0]=4 8108 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [0,2,0,0,0,0|1,0,0]=3 8109 B9R0.53 CC(C)NC(=O)CC(=O)O Amb17399889 [0,2,0,0,0,0|1,0,1]=4 8110 B9R0.53 CC(C)NC(C)CC(=O)O Amb9398367 [0,2,0,0,0,0|0,0,0]=2 8111 B9R0.53 CC(C)NC(C)CC(N)=O Amb17231987 [0,2,0,0,0,0|1,0,0]=3 8112 B9R0.53 CC(C)NC(C)CS(C)=O Amb28434480 [0,2,0,0,0,0|2,0,0]=4 8113 B9R0.53 CC(C)OC(=O)CC(=O)O Amb25887628 [0,2,0,0,0,0|1,0,1]=4 8114 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,2,0,0,0,0|1,0,1]=4 8115 B9R0.53 CC(CC(=O)Cl)CN(=O)=O Amb8391864 [0,2,0,0,0,0|2,0,0]=4 8116 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,2,0,0,0,0|0,0,1]=3 8117 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [0,2,0,0,0,0|0,0,0]=2 8118 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [0,2,0,0,0,0|0,0,0]=2 8119 B9R0.53 CC(CC(=O)O)NC(=N)N Amb25696242 [0,2,0,0,0,0|1,0,1]=4 8120 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,2,0,0,0,0|1,0,1]=4 8121 B9R0.53 CC(CC(=O)O)NN(C)C Amb28317947 [0,2,0,0,0,0|1,0,0]=3 8122 B9R0.53 CC(CC(F)F)NC(=O)Cl Amb35633497 [0,2,0,0,0,0|2,0,0]=4 8123 B9R0.53 CC(CC(F)F)NC(N)=O Amb27424784 [0,2,0,0,0,0|2,0,0]=4 8124 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,2,0,0,0,0|1,0,1]=4 8125 B9R0.53 CC(CN(C)C)NC(=O)Cl Amb35625559 [0,2,0,0,0,0|2,0,0]=4 8126 B9R0.53 CC(CN(C)C)OC(N)=O Amb28383868 [0,2,0,0,0,0|2,0,0]=4 8127 B9R0.53 CC(CS(C)=O)NC(=O)Cl Amb35633551 [0,2,0,0,0,0|2,0,0]=4 8128 B9R0.53 CC(C[C@H](C)O)C[C@@H](C)O Amb28453488 [0,2,0,0,0,0|1,0,1]=4 8129 B9R0.53 CC(Cl)CC(Cl)CC(=O)O Amb28436914 [0,2,0,0,0,0|1,0,0]=3 8130 B9R0.53 CC(O)CC(C)NC(N)=O Amb27227923 [0,2,0,0,0,0|2,0,0]=4 8131 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [0,2,0,0,0,0|1,0,0]=3 8132 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [0,2,0,0,0,0|1,0,0]=3 8133 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,2,0,0,0,0|1,0,1]=4 8134 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [0,2,0,0,0,0|1,0,0]=3 8135 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,2,0,0,0,0|0,0,1]=3 8136 B9R0.53 C[C@@H](O)CN(C)CC(N)=O Amb27979416 [0,2,0,0,0,0|2,0,0]=4 8137 B9R0.53 C[C@H](CN(C)C)OC(N)=O Amb27475764 [0,2,0,0,0,0|2,0,0]=4 8138 B9R0.53 C\C(=C/C(=O)O)CN(C)O Amb27459209 [0,2,0,0,0,0|0,0,2]=4 8139 B9R0.53 C\C(=C\C(=O)O)CC(C)C Amb26947874 [0,2,0,0,0,0|0,0,2]=4 8140 B9R0.53 C\C(=C\C(C)C)CC(=O)O Amb27784871 [0,2,0,0,0,0|0,0,1]=3 8141 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [0,2,0,0,0,0|1,0,1]=4 8142 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [0,2,0,0,0,0|1,0,1]=4 8143 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,2,0,0,0,0|1,0,1]=4 8144 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [0,2,0,0,0,0|1,0,1]=4 8145 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [0,2,0,0,0,0|1,0,1]=4 8146 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [0,2,0,0,0,0|1,0,1]=4 8147 B9R0.58 C#CCC(C)(C)CC(C)=O Amb17593505 [0,2,0,0,0,0|1,0,1]=4 8148 B9R0.58 C=C(C)CC(C)(C)CCC Amb27392068 [0,2,0,0,0,0|2,0,0]=4 8149 B9R0.58 C=C(C)CC(C)(C)CCN Amb27622643 [0,2,0,0,0,0|2,0,0]=4 8150 B9R0.58 C=C(C)CC(C)(O)CCC Amb27594008 [0,2,0,0,0,0|2,0,0]=4 8151 B9R0.58 C=C(C)C[C@@](C)(O)CCO Amb27839202 [0,2,0,0,0,0|2,0,0]=4 8152 B9R0.58 C=C=CC(C)(C)CC(=O)O Amb27839075 [0,2,0,0,0,0|0,0,2]=4 8153 B9R0.58 C=CCC(C)(C)CC(=O)O Amb18643902 [0,2,0,0,0,0|0,0,1]=3 8154 B9R0.58 C=CC[C@@](C)(O)CC(C)=O Amb28399049 [0,2,0,0,0,0|1,0,1]=4 8155 B9R0.58 CC(=O)CC(C)(C)CCBr Amb28057686 [0,2,0,0,0,0|1,0,0]=3 8156 B9R0.58 CC(=O)NC(C)(C)CCBr Amb27835446 [0,2,0,0,0,0|2,0,0]=4 8157 B9R0.58 CC(=O)NC(C)(C)CCO Amb28245776 [0,2,0,0,0,0|2,0,0]=4 8158 B9R0.58 CC(=O)OC(C)(C)CCCl Amb27770359 [0,2,0,0,0,0|2,0,0]=4 8159 B9R0.58 CC(C)(CC(=O)O)N=C=O Amb25840671 [0,2,0,0,0,0|1,0,1]=4 8160 B9R0.58 CC(C)(CC(=O)O)N=C=S Amb33471554 [0,2,0,0,0,0|1,0,1]=4 8161 B9R0.58 CC(C)(CC(=O)O)N=[N+]=[N-] Amb26392236 [0,2,0,0,0,0|2,0,0]=4 8162 B9R0.58 CC(C)(CC(=O)O)NC#N Amb30030677 [0,2,0,0,0,0|1,0,1]=4 8163 B9R0.58 CC(C)(CC(=O)O)NC=O Amb26392221 [0,2,0,0,0,0|1,0,1]=4 8164 B9R0.58 CC(C)(CC=O)CC(=O)O Amb18644096 [0,2,0,0,0,0|0,0,1]=3 8165 B9R0.58 CC(C)(CCCl)CC(=O)O Amb18646188 [0,2,0,0,0,0|0,0,0]=2 8166 B9R0.58 CC(C)(CCF)CC(=O)O Amb33196450 [0,2,0,0,0,0|0,0,0]=2 8167 B9R0.58 CC(O)(CCCl)CC(=O)O Amb28134781 [0,2,0,0,0,0|0,0,0]=2 8168 B9R0.58 CC(O)(CCS)CC(=O)O Amb27232619 [0,2,0,0,0,0|0,0,0]=2 8169 B9R0.58 CCCC(C)(C)CC(=O)O Amb22229019 [0,2,0,0,0,0|0,0,0]=2 8170 B9R0.58 CCCC(C)(C)CC(C)O Amb27981022 [0,2,0,0,0,0|1,0,1]=4 8171 B9R0.58 CCCC(C)(C)NC(=O)Cl Amb35625899 [0,2,0,0,0,0|2,0,0]=4 8172 B9R0.58 CCCC(C)(C)NC(N)=O Amb28050043 [0,2,0,0,0,0|2,0,0]=4 8173 B9R0.58 CCCC(C)(C)OC(C)=O Amb27875922 [0,2,0,0,0,0|2,0,0]=4 8174 B9R0.58 CCCC(C)(N)CC(=O)O Amb27489892 [0,2,0,0,0,0|0,0,0]=2 8175 B9R0.58 CCCC(C)(N)CC(N)=O Amb33255835 [0,2,0,0,0,0|1,0,0]=3 8176 B9R0.58 CCCC(C)(O)CC(=O)O Amb18310709 [0,2,0,0,0,0|0,0,0]=2 8177 B9R0.58 CCCC(F)(F)CC(=O)O Amb24482478 [0,2,0,0,0,0|1,0,0]=3 8178 B9R0.58 CCCS(=O)(=O)CC(=O)O Amb6256569 [0,2,0,0,0,0|2,0,0]=4 8179 B9R0.58 CCNC(C)(C)CC(=O)O Amb27622447 [0,2,0,0,0,0|0,0,0]=2 8180 B9R0.58 CCNC(C)(C)CC(N)=O Amb28184404 [0,2,0,0,0,0|1,0,0]=3 8181 B9R0.58 CCNS(=O)(=O)CC(=O)O Amb6741786 [0,2,0,0,0,0|2,0,0]=4 8182 B9R0.58 CCOC(C)(C)CC(C)=O Amb27409443 [0,2,0,0,0,0|1,0,0]=3 8183 B9R0.58 CCOP(=O)(O)CC(=O)O Amb25303550 [0,2,0,0,0,0|2,0,0]=4 8184 B9R0.58 CCSC(C)(C)CC(=O)O Amb27406310 [0,2,0,0,0,0|0,0,0]=2 8185 B9R0.58 CCSC(C)(C)CC(C)O Amb28050739 [0,2,0,0,0,0|1,0,1]=4 8186 B9R0.58 CNCC(C)(C)CC(=O)O Amb24116872 [0,2,0,0,0,0|0,0,0]=2 8187 B9R0.58 CNCC(C)(C)CC(C)O Amb27847847 [0,2,0,0,0,0|1,0,1]=4 8188 B9R0.58 CNCC(F)(F)CC(=O)O Amb33347090 [0,2,0,0,0,0|1,0,0]=3 8189 B9R0.58 COCC(C)(C)CC(=O)O Amb33551195 [0,2,0,0,0,0|0,0,0]=2 8190 B9R0.58 COCC(C)(C)CS(=O)Cl Amb32720577 [0,2,0,0,0,0|2,0,0]=4 8191 B9R0.58 COCC(C)(C)CS(=O)[O-] Amb32755593 [0,2,0,0,0,0|1,0,1]=4 8192 B9R0.58 COCC(C)(C)CS(N)=O Amb32720578 [0,2,0,0,0,0|2,0,0]=4 8193 B9R0.58 COCC(C)(C)NC(=O)Cl Amb29881340 [0,2,0,0,0,0|2,0,0]=4 8194 B9R0.58 COCC(C)(F)CS(=O)Cl Amb32720810 [0,2,0,0,0,0|2,0,0]=4 8195 B9R0.58 COCC(C)(F)CS(=O)[O-] Amb32755358 [0,2,0,0,0,0|1,0,1]=4 8196 B9R0.58 COCC(C)(F)CS(N)=O Amb32720811 [0,2,0,0,0,0|2,0,0]=4 8197 B9R0.58 COCC(C)(N)CC(=O)O Amb27158999 [0,2,0,0,0,0|0,0,0]=2 8198 B9R0.58 COCC(C)(N)CC(=O)O Amb33620555 [0,2,0,0,0,0|0,0,0]=2 8199 B9R0.58 COCC(C)(N)CC(N)=O Amb33254819 [0,2,0,0,0,0|1,0,0]=3 8200 B9R0.58 COCC(C)(O)CC(=O)O Amb18312293 [0,2,0,0,0,0|0,0,0]=2 8201 B9R0.58 COCC(F)(F)CC(=O)O Amb33337739 [0,2,0,0,0,0|1,0,0]=3 8202 B9R0.58 COCS(=O)(=O)CC(=O)O Amb27407646 [0,2,0,0,0,0|2,0,0]=4 8203 B9R0.58 CSCC(C)(C)CC(=O)O Amb33272052 [0,2,0,0,0,0|0,0,0]=2 8204 B9R0.58 CSCC(C)(N)CC(=O)O Amb33254915 [0,2,0,0,0,0|0,0,0]=2 8205 B9R0.58 CSCC(C)(N)CC(N)=O Amb32787422 [0,2,0,0,0,0|1,0,0]=3 8206 B9R0.58 CSCC(C)(O)CC(=O)O Amb33036115 [0,2,0,0,0,0|0,0,0]=2 8207 B9R0.58 CSCC(F)(F)CC(=O)O Amb33413045 [0,2,0,0,0,0|1,0,0]=3 8208 B9R0.58 C[C@](O)(CC=O)CC(=O)O Amb27425000 [0,2,0,0,0,0|0,0,1]=3 8209 B9R0.58 C[N+](C)(CCO)CC(=O)[O-] Amb24390421 [0,2,0,0,0,0|1,0,1]=4 8210 B9R0.58 C\C=C\C(C)(N)CC(=O)O Amb33036295 [0,2,0,0,0,0|0,0,1]=3 8211 B9R0.58 C\C=C\C(C)(O)CC(=O)O Amb33036111 [0,2,0,0,0,0|0,0,1]=3 8212 B9R0.58 C\N=N\C(C)(C)CC(C)=O Amb28202069 [0,2,0,0,0,0|2,0,0]=4 8213 B9R0.58 NCCP(=O)(O)CC(=O)O Amb27232804 [0,2,0,0,0,0|2,0,0]=4 8214 B9R0.58 NCCS(=O)(=O)CC(=O)O Amb17500548 [0,2,0,0,0,0|2,0,0]=4 8215 B9R0.58 O=C(O)CC(F)(F)CCF Amb33399980 [0,2,0,0,0,0|1,0,0]=3 8216 B9R0.58 O=C(O)CS(=O)(=O)CCO Amb17502670 [0,2,0,0,0,0|2,0,0]=4 8217 B9R0.26 C#CC(=O)CC(CC)CN Amb27413177 [0,2,0,0,0,0|1,0,0]=3 8218 B9R0.26 C#CC(=O)NC(CC)CC Amb27197021 [0,2,0,0,0,0|2,0,0]=4 8219 B9R0.26 C#CC(=O)NC(CC)CO Amb9360624 [0,2,0,0,0,0|2,0,0]=4 8220 B9R0.26 C=CC(=O)CC(CC)CN Amb27253805 [0,2,0,0,0,0|1,0,0]=3 8221 B9R0.26 C=CC(=O)N[C@H](CC)CO Amb27790817 [0,2,0,0,0,0|2,0,0]=4 8222 B9R0.26 C=CC(CC(=O)OC)OC Amb28068171 [0,2,0,0,0,0|0,0,2]=4 8223 B9R0.26 C=CC(CO)CC(=O)OC Amb28050688 [0,2,0,0,0,0|0,0,2]=4 8224 B9R0.26 CCC(=CC(=O)OC)CC Amb24513727 [0,2,0,0,0,0|0,0,2]=4 8225 B9R0.26 CCC(=O)CC(CC)CC Amb27618527 [0,2,0,0,0,0|1,0,0]=3 8226 B9R0.26 CCC(=O)CC(CC)CN Amb28050383 [0,2,0,0,0,0|1,0,0]=3 8227 B9R0.26 CCC(=O)CC(OC)OC Amb22893502 [0,2,0,0,0,0|2,0,0]=4 8228 B9R0.26 CCC(=O)NC(CC)CCl Amb27640878 [0,2,0,0,0,0|2,0,0]=4 8229 B9R0.26 CCC(=O)NC(CC)CN Amb18112591 [0,2,0,0,0,0|2,0,0]=4 8230 B9R0.26 CCC(=O)N[C@@H](CC)CO Amb27466160 [0,2,0,0,0,0|2,0,0]=4 8231 B9R0.26 CCC(=O)OC(CC)CC Amb27826277 [0,2,0,0,0,0|2,0,0]=4 8232 B9R0.26 CCC(C#N)CC(=O)NC Amb24504791 [0,2,0,0,0,0|1,0,1]=4 8233 B9R0.26 CCC(C#N)NC(=O)CO Amb27594323 [0,2,0,0,0,0|1,0,1]=4 8234 B9R0.26 CCC(C)CC(C#N)CO Amb27485258 [0,2,0,0,0,0|1,0,1]=4 8235 B9R0.26 CCC(C)CC(C=O)OC Amb28313381 [0,2,0,0,0,0|0,0,1]=3 8236 B9R0.26 CCC(C)CC(CC)CO Amb27227430 [0,2,0,0,0,0|1,0,1]=4 8237 B9R0.26 CCC(C)CC(CC)NO Amb28282079 [0,2,0,0,0,0|1,0,1]=4 8238 B9R0.26 CCC(C)CC(CN)OC Amb27484072 [0,2,0,0,0,0|1,0,1]=4 8239 B9R0.26 CCC(CBr)CC(C)OC Amb25352429 [0,2,0,0,0,0|1,0,1]=4 8240 B9R0.26 CCC(CC(=O)NC)SC Amb28138598 [0,2,0,0,0,0|1,0,0]=3 8241 B9R0.26 CCC(CC(=O)OC)NC Amb27827669 [0,2,0,0,0,0|0,0,0]=2 8242 B9R0.26 CCC(CC(=O)OC)OC Amb29838308 [0,2,0,0,0,0|0,0,0]=2 8243 B9R0.26 CCC(CC(C)OC)NC Amb28288425 [0,2,0,0,0,0|1,0,1]=4 8244 B9R0.26 CCC(CC(N)CO)OC Amb26903357 [0,2,0,0,0,0|1,0,1]=4 8245 B9R0.26 CCC(CC(O)CN)OC Amb33325685 [0,2,0,0,0,0|1,0,1]=4 8246 B9R0.26 CCC(CC)CC(=O)NC Amb28078835 [0,2,0,0,0,0|1,0,0]=3 8247 B9R0.26 CCC(CC)CC(C)CO Amb28245709 [0,2,0,0,0,0|1,0,1]=4 8248 B9R0.26 CCC(CC)CC(N)CO Amb27595886 [0,2,0,0,0,0|1,0,1]=4 8249 B9R0.26 CCC(CC)CC(O)CN Amb24351477 [0,2,0,0,0,0|1,0,1]=4 8250 B9R0.26 CCC(CC)C\C(N)=N\O Amb27493708 [0,2,0,0,0,0|1,0,0]=3 8251 B9R0.26 CCC(CC)NC(=O)CBr Amb27770340 [0,2,0,0,0,0|2,0,0]=4 8252 B9R0.26 CCC(CC)NC(=O)CCl Amb1150999 [0,2,0,0,0,0|2,0,0]=4 8253 B9R0.26 CCC(CC)NC(=O)NC Amb27771792 [0,2,0,0,0,0|2,0,0]=4 8254 B9R0.26 CCC(CC)NC(=O)OC Amb27617202 [0,2,0,0,0,0|1,0,0]=3 8255 B9R0.26 CCC(CC)OC(=O)CBr Amb27841500 [0,2,0,0,0,0|2,0,0]=4 8256 B9R0.26 CCC(CC)OC(=O)CO Amb27472647 [0,2,0,0,0,0|1,0,0]=3 8257 B9R0.26 CCC(CCl)CC(C)OC Amb27236699 [0,2,0,0,0,0|1,0,1]=4 8258 B9R0.26 CCC(CN)CC(=O)NC Amb28315775 [0,2,0,0,0,0|1,0,0]=3 8259 B9R0.26 CCC(CN)CC(=O)NO Amb27483836 [0,2,0,0,0,0|0,0,0]=2 8260 B9R0.26 CCC(CN)CC(=O)OC Amb26369552 [0,2,0,0,0,0|0,0,0]=2 8261 B9R0.26 CCC(CN)CC(C)OC Amb27234549 [0,2,0,0,0,0|1,0,1]=4 8262 B9R0.26 CCC(CN)NC(=O)OC Amb28078349 [0,2,0,0,0,0|1,0,0]=3 8263 B9R0.26 CCC(CO)NC(=O)CBr Amb17329184 [0,2,0,0,0,0|2,0,0]=4 8264 B9R0.26 CCC(CO)NC(=O)NC Amb27852633 [0,2,0,0,0,0|2,0,0]=4 8265 B9R0.26 CCC(\C=C(\C)C=O)CC Amb27614871 [0,2,0,0,0,0|1,0,1]=4 8266 B9R0.26 CCC(\C=C(\C)CO)CC Amb27461646 [0,2,0,0,0,0|1,0,1]=4 8267 B9R0.26 CCN(C=O)CC(=O)OC Amb27632516 [0,2,0,0,0,0|1,0,1]=4 8268 B9R0.26 CCN(CC)CC(=N)OC Amb27199205 [0,2,0,0,0,0|2,0,0]=4 8269 B9R0.26 CCN(CC)CC(=O)NN Amb836889 [0,2,0,0,0,0|2,0,0]=4 8270 B9R0.26 CCN(CC)CC(O)C=O Amb27445103 [0,2,0,0,0,0|1,0,1]=4 8271 B9R0.26 CCN(CC)C\C(C)=N\O Amb1935216 [0,2,0,0,0,0|2,0,0]=4 8272 B9R0.26 CCN(CC)C\C(N)=N/O Amb2695940 [0,2,0,0,0,0|2,0,0]=4 8273 B9R0.26 CCN(CC)C\C(N)=N\O Amb1121017 [0,2,0,0,0,0|2,0,0]=4 8274 B9R0.26 CC[C@@H](C=O)CC(=O)OC Amb28250907 [0,2,0,0,0,0|0,0,1]=3 8275 B9R0.26 CC[C@@H](CO)NC(=O)NC Amb28189018 [0,2,0,0,0,0|2,0,0]=4 8276 B9R0.26 CC[C@H](CO)NC(=O)CBr Amb27989179 [0,2,0,0,0,0|2,0,0]=4 8277 B9R0.26 CC[C@H](CO)NC(=O)CO Amb27836654 [0,2,0,0,0,0|1,0,0]=3 8278 B9R0.26 CC[C@H](\C=C(\C)C=O)CO Amb27653090 [0,2,0,0,0,0|1,0,1]=4 8279 B9R0.26 CC\C(=C\C(=O)OC)CO Amb28350314 [0,2,0,0,0,0|0,0,2]=4 8280 B9R0.26 CC\C(=C\C(=O)OC)OC Amb2694692 [0,2,0,0,0,0|0,0,2]=4 8281 B9R0.26 CC\C(CC(C)CC)=N/O Amb24556233 [0,2,0,0,0,0|1,0,0]=3 8282 B9R0.26 CNC(=O)CC(CO)CO Amb27770361 [0,2,0,0,0,0|2,0,0]=4 8283 B9R0.26 CN[C@@H](CO)CC(=O)OC Amb28410146 [0,2,0,0,0,0|1,0,0]=3 8284 B9R0.26 COC(=O)CC(C=O)OC Amb18644250 [0,2,0,0,0,0|1,0,1]=4 8285 B9R0.26 COC(=O)CC(CCl)OC Amb27803690 [0,2,0,0,0,0|1,0,0]=3 8286 B9R0.26 COC(=O)CC(CN)CF Amb33379290 [0,2,0,0,0,0|1,0,0]=3 8287 B9R0.26 COC(=O)CC(CN)OC Amb28555643 [0,2,0,0,0,0|1,0,0]=3 8288 B9R0.26 COC(=O)CC(OC)OC Amb8517470 [0,2,0,0,0,0|1,0,0]=3 8289 B9R0.26 COC(=O)C[C@@H](CO)OC Amb28321398 [0,2,0,0,0,0|1,0,0]=3 8290 B9R0.26 COC(=O)NC(CN)CN Amb27860608 [0,2,0,0,0,0|2,0,0]=4 8291 B9R0.26 COC(CC(=O)NN)OC Amb26012590 [0,2,0,0,0,0|2,0,0]=4 8292 B9R0.26 COC(C\C(N)=N\O)OC Amb8384546 [0,2,0,0,0,0|2,0,0]=4 8293 B9R0.26 C\C=C(\CC)NC(=O)OC Amb27768836 [0,2,0,0,0,0|1,0,1]=4 8294 B9R0.26 O=C(CO)NC(CO)CO Amb28049820 [0,2,0,0,0,0|2,0,0]=4 8295 B9R0.39 C#CC(CC(=O)O)C(C)C Amb27408324 [0,2,0,0,0,0|0,0,1]=3 8296 B9R0.39 C#C[C@@H](CC(=O)O)C(C)C Amb27977044 [0,2,0,0,0,0|0,0,1]=3 8297 B9R0.39 C#C[C@H](CC(=O)O)C(C)C Amb27253902 [0,2,0,0,0,0|0,0,1]=3 8298 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,2,0,0,0,0|0,0,0]=2 8299 B9R0.39 C=C(C)C(CC)OC(N)=O Amb28042524 [0,2,0,0,0,0|2,0,0]=4 8300 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,2,0,0,0,0|0,0,1]=3 8301 B9R0.39 C=C(C)CC(CBr)C(C)C Amb32689614 [0,2,0,0,0,0|2,0,0]=4 8302 B9R0.39 C=C(C)CC(CC)C(C)=O Amb28060802 [0,2,0,0,0,0|2,0,0]=4 8303 B9R0.39 C=C(C)CC(CCl)C(C)C Amb32689645 [0,2,0,0,0,0|2,0,0]=4 8304 B9R0.39 C=C(Cl)CC(CBr)C(C)C Amb32689665 [0,2,0,0,0,0|2,0,0]=4 8305 B9R0.39 C=C(Cl)CC(CCl)C(C)C Amb32689725 [0,2,0,0,0,0|2,0,0]=4 8306 B9R0.39 C=CC(CC(=O)O)C(C)C Amb18643903 [0,2,0,0,0,0|0,0,1]=3 8307 B9R0.39 C=C[C@@H](CC(=O)O)C(C)C Amb27881786 [0,2,0,0,0,0|0,0,1]=3 8308 B9R0.39 C=C[C@H](CC(=O)O)C(C)C Amb27962891 [0,2,0,0,0,0|0,0,1]=3 8309 B9R0.39 CC(=O)CC(C#N)C(C)C Amb25871529 [0,2,0,0,0,0|1,0,1]=4 8310 B9R0.39 CC(=O)CC(C=O)C(C)C Amb27838017 [0,2,0,0,0,0|1,0,1]=4 8311 B9R0.39 CC(=O)NC(CBr)C(C)C Amb27162063 [0,2,0,0,0,0|2,0,0]=4 8312 B9R0.39 CC(=O)NC(CCl)C(C)C Amb27614887 [0,2,0,0,0,0|2,0,0]=4 8313 B9R0.39 CC(=O)NC(CI)C(C)C Amb27803581 [0,2,0,0,0,0|2,0,0]=4 8314 B9R0.39 CC(=O)NC(CO)C(C)C Amb17102545 [0,2,0,0,0,0|2,0,0]=4 8315 B9R0.39 CC(=O)OC(CCl)C(C)C Amb27815071 [0,2,0,0,0,0|2,0,0]=4 8316 B9R0.39 CC(=O)OC(CCl)C(C)O Amb27815074 [0,2,0,0,0,0|2,0,0]=4 8317 B9R0.39 CC(C)C(C#N)CC(=O)O Amb25818234 [0,2,0,0,0,0|0,0,1]=3 8318 B9R0.39 CC(C)C(CN)CC(=O)O Amb26910759 [0,2,0,0,0,0|0,0,0]=2 8319 B9R0.39 CC(C)N(C#N)CC(=O)O Amb35634517 [0,2,0,0,0,0|1,0,1]=4 8320 B9R0.39 CC(C)[C@@H](C#N)CC(=O)O Amb27473398 [0,2,0,0,0,0|0,0,1]=3 8321 B9R0.39 CC(C)[C@H](C#N)CC(=O)O Amb28184580 [0,2,0,0,0,0|0,0,1]=3 8322 B9R0.39 CC(C)[C@H](C=O)CC(=O)[O-] Amb27948625 [0,2,0,0,0,0|0,0,2]=4 8323 B9R0.39 CC(C)[C@H](CO)C[C@@H](C)O Amb28126537 [0,2,0,0,0,0|1,0,1]=4 8324 B9R0.39 CCC(CC(=N)N)N(C)C Amb9029194 [0,2,0,0,0,0|2,0,0]=4 8325 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,2,0,0,0,0|1,0,1]=4 8326 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,2,0,0,0,0|0,0,1]=3 8327 B9R0.39 CCC(CC(=O)O)C(C)C Amb33534084 [0,2,0,0,0,0|0,0,0]=2 8328 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,2,0,0,0,0|0,0,0]=2 8329 B9R0.39 CCC(CC(=O)O)C(F)F Amb33436479 [0,2,0,0,0,0|0,0,0]=2 8330 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,2,0,0,0,0|1,0,1]=4 8331 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,2,0,0,0,0|1,0,0]=3 8332 B9R0.39 CCC(CC(N)=O)C(C)C Amb27806878 [0,2,0,0,0,0|1,0,0]=3 8333 B9R0.39 CCC(NC(=O)Cl)C(C)C Amb35625855 [0,2,0,0,0,0|2,0,0]=4 8334 B9R0.39 CCC(NC(C)=O)C(C)=O Amb28348733 [0,2,0,0,0,0|2,0,0]=4 8335 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,2,0,0,0,0|1,0,0]=3 8336 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,2,0,0,0,0|1,0,1]=4 8337 B9R0.39 CCN(CC(C)=O)C(C)C Amb9661463 [0,2,0,0,0,0|2,0,0]=4 8338 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,2,0,0,0,0|0,0,1]=3 8339 B9R0.39 CC[C@@H](OC(C)=O)[C@H](C)Cl Amb27945629 [0,2,0,0,0,0|2,0,0]=4 8340 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,2,0,0,0,0|0,0,1]=3 8341 B9R0.39 CC[C@H](CC(=O)O)C(C)C Amb25989910 [0,2,0,0,0,0|0,0,0]=2 8342 B9R0.39 CC\C(=C/C(=O)O)C(C)=O Amb26391990 [0,2,0,0,0,0|0,0,2]=4 8343 B9R0.39 CC\C(=C/C(=O)O)C(C)C Amb18967765 [0,2,0,0,0,0|0,0,2]=4 8344 B9R0.39 CN(C)C(CO)CC(=O)O Amb18202308 [0,2,0,0,0,0|1,0,0]=3 8345 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,2,0,0,0,0|1,0,1]=4 8346 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,2,0,0,0,0|1,0,1]=4 8347 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,2,0,0,0,0|0,0,1]=3 8348 B9R0.39 CNC(CC(=O)O)C(C)C Amb27209417 [0,2,0,0,0,0|0,0,0]=2 8349 B9R0.39 CNC(CS(C)=O)C(C)C Amb27597532 [0,2,0,0,0,0|2,0,0]=4 8350 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,2,0,0,0,0|1,0,1]=4 8351 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,2,0,0,0,0|1,0,1]=4 8352 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,2,0,0,0,0|0,0,1]=3 8353 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,2,0,0,0,0|1,0,1]=4 8354 B9R0.39 COC(CS(=O)Cl)C(C)C Amb32720871 [0,2,0,0,0,0|2,0,0]=4 8355 B9R0.39 COC(CS(=O)[O-])C(C)C Amb32755484 [0,2,0,0,0,0|1,0,1]=4 8356 B9R0.39 COC(CS(N)=O)C(C)C Amb32720872 [0,2,0,0,0,0|2,0,0]=4 8357 B9R0.39 COC(NC(C)=O)C(C)C Amb27831760 [0,2,0,0,0,0|2,0,0]=4 8358 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,2,0,0,0,0|1,0,1]=4 8359 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,2,0,0,0,0|1,0,1]=4 8360 B9R0.39 C\C=C(\CC(C)=O)C(C)C Amb25265231 [0,2,0,0,0,0|1,0,1]=4 8361 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,2,0,0,0,0|1,0,1]=4 8362 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,2,0,0,0,0|1,0,1]=4 8363 B9R0.39 NCC(CC(=O)O)C(F)F Amb27192581 [0,2,0,0,0,0|1,0,0]=3 8364 B9R0.39 NCC(CC(=O)O)C(F)F Amb28555657 [0,2,0,0,0,0|1,0,0]=3 8365 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,2,0,0,0,0|1,0,1]=4 8366 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,2,0,0,0,0|1,0,1]=4 8367 B9R0.39 O=C(O)CC(CF)C(F)F Amb24513956 [0,2,0,0,0,0|1,0,0]=3 8368 B9R0.52 CCC(CC(C)(C)O)OC Amb33326094 [0,2,0,0,0,0|1,0,1]=4 8369 B9R0.52 CCC(CC)CC(C)(C)O Amb27823191 [0,2,0,0,0,0|1,0,1]=4 8370 B9R0.52 CCC(CC)CS(=O)(=O)Cl Amb18325496 [0,2,0,0,0,0|1,0,1]=4 8371 B9R0.52 CCC(CC)CS(=O)(=O)F Amb19373181 [0,2,0,0,0,0|1,0,1]=4 8372 B9R0.52 CCC(CC)CS(N)(=O)=O Amb18800873 [0,2,0,0,0,0|1,0,1]=4 8373 B9R0.52 CCC(CO)CS(N)(=O)=O Amb28050628 [0,2,0,0,0,0|1,0,1]=4 8374 B9R0.52 CCC(CO)NP(C)(=O)O Amb28207154 [0,2,0,0,0,0|2,0,0]=4 8375 B9R0.52 CCC(CS(=O)(=O)Cl)OC Amb26649448 [0,2,0,0,0,0|1,0,1]=4 8376 B9R0.52 CCC(CS(=O)(=O)F)NC Amb33463939 [0,2,0,0,0,0|1,0,1]=4 8377 B9R0.52 CCC(CS(=O)(=O)F)OC Amb32718455 [0,2,0,0,0,0|1,0,1]=4 8378 B9R0.52 CCC(CS(N)(=O)=O)OC Amb26415266 [0,2,0,0,0,0|1,0,1]=4 8379 B9R0.52 NCC(CO)CS(=O)(=O)O Amb27605364 [0,2,0,0,0,0|2,0,0]=4 8380 B9R0.63 C#CC(C)(CC)OC(C)=O Amb27591614 [0,2,0,0,0,0|2,0,0]=4 8381 B9R0.63 C#CC(C)(CC)OC(N)=O Amb25889017 [0,2,0,0,0,0|2,0,0]=4 8382 B9R0.63 C#C[C@](C)(C=C)CC(=O)O Amb27390219 [0,2,0,0,0,0|0,0,2]=4 8383 B9R0.63 C=C(C)CC(C)(C=O)CC Amb26887441 [0,2,0,0,0,0|2,0,0]=4 8384 B9R0.63 C=C(C)CC(C)(CC)CBr Amb32689650 [0,2,0,0,0,0|2,0,0]=4 8385 B9R0.63 C=C(C)CC(C)(CC)CCl Amb32689646 [0,2,0,0,0,0|2,0,0]=4 8386 B9R0.63 C=C(Cl)CC(C)(C=O)CC Amb33504041 [0,2,0,0,0,0|2,0,0]=4 8387 B9R0.63 C=C(Cl)CC(C)(CC)CBr Amb32689754 [0,2,0,0,0,0|2,0,0]=4 8388 B9R0.63 C=C(Cl)CC(C)(CC)CCl Amb32689726 [0,2,0,0,0,0|2,0,0]=4 8389 B9R0.63 C=CC(C)(C=C)CC(=O)O Amb27216691 [0,2,0,0,0,0|0,0,2]=4 8390 B9R0.63 CC(=O)CC(C)(CCl)CCl Amb17594712 [0,2,0,0,0,0|2,0,0]=4 8391 B9R0.63 CC(=O)CC(O)(CCl)CCl Amb27650591 [0,2,0,0,0,0|2,0,0]=4 8392 B9R0.63 CC(C#N)(CO)CC(=O)O Amb24116881 [0,2,0,0,0,0|1,0,0]=3 8393 B9R0.63 CC(CN)(CO)CC(=O)O Amb22546425 [0,2,0,0,0,0|1,0,0]=3 8394 B9R0.63 CC(CN)(CO)CC(=O)O Amb24116882 [0,2,0,0,0,0|1,0,0]=3 8395 B9R0.63 CC(CO)(CO)CC(=O)O Amb27180645 [0,2,0,0,0,0|1,0,0]=3 8396 B9R0.63 CCC(C)(C#N)CC(C)O Amb18643765 [0,2,0,0,0,0|1,0,1]=4 8397 B9R0.63 CCC(C)(C#N)NC(C)=O Amb27830222 [0,2,0,0,0,0|2,0,0]=4 8398 B9R0.63 CCC(C)(C=O)CC(C)O Amb27402062 [0,2,0,0,0,0|1,0,1]=4 8399 B9R0.63 CCC(C)(CC(N)=O)NC Amb28130367 [0,2,0,0,0,0|1,0,0]=3 8400 B9R0.63 CCC(C)(CC)CC(=O)O Amb18124690 [0,2,0,0,0,0|0,0,0]=2 8401 B9R0.63 CCC(C)(CC)CC(C)=O Amb28126814 [0,2,0,0,0,0|1,0,0]=3 8402 B9R0.63 CCC(C)(CC)NC(=O)Cl Amb35625660 [0,2,0,0,0,0|2,0,0]=4 8403 B9R0.63 CCC(C)(CC)NC(C)=O Amb28050010 [0,2,0,0,0,0|2,0,0]=4 8404 B9R0.63 CCC(C)(CC)OC(C)=O Amb28144849 [0,2,0,0,0,0|2,0,0]=4 8405 B9R0.63 CCC(C)(CC)OC(N)=O Amb25763263 [0,2,0,0,0,0|2,0,0]=4 8406 B9R0.63 CCC(C)(CN)CC(C)O Amb27474163 [0,2,0,0,0,0|1,0,1]=4 8407 B9R0.63 CCC(C)(CN)CC(N)=O Amb27636600 [0,2,0,0,0,0|1,0,0]=3 8408 B9R0.63 CCC(C)(CN)NC(C)=O Amb27833251 [0,2,0,0,0,0|2,0,0]=4 8409 B9R0.63 CCC(C)(CO)NC(N)=O Amb27485112 [0,2,0,0,0,0|2,0,0]=4 8410 B9R0.63 CCC(N)(CC)CC(N)=O Amb32787597 [0,2,0,0,0,0|1,0,0]=3 8411 B9R0.63 CCC(O)(CC)CC(=O)O Amb18310715 [0,2,0,0,0,0|0,0,0]=2 8412 B9R0.63 CCC(O)(CC)CC(C)O Amb27426556 [0,2,0,0,0,0|1,0,1]=4 8413 B9R0.63 CCP(=O)(CC)CC(=O)O Amb3371766 [0,2,0,0,0,0|1,0,0]=3 8414 B9R0.63 CCP(=S)(CC)CC(=O)O Amb27831399 [0,2,0,0,0,0|1,0,0]=3 8415 B9R0.63 CC[P@@](=O)(CC(=O)O)OC Amb27845383 [0,2,0,0,0,0|1,0,0]=3 8416 B9R0.63 COC(C)(CC(C)=O)OC Amb27861449 [0,2,0,0,0,0|2,0,0]=4 8417 B9R0.63 COP(=O)(CC(=O)O)OC Amb22388809 [0,2,0,0,0,0|2,0,0]=4 8418 B9R0.63 O=C(O)CC(O)(CF)CF Amb27876085 [0,2,0,0,0,0|1,0,0]=3 8419 B9R0.22 C#CC(=O)CC(C)(C)CC Amb29849810 [0,2,0,0,0,0|1,0,0]=3 8420 B9R0.22 C#CC(=O)CC(C)(C)OC Amb27207987 [0,2,0,0,0,0|2,0,0]=4 8421 B9R0.22 C#CC(O)CC(C)(C)CC Amb35610687 [0,2,0,0,0,0|1,0,1]=4 8422 B9R0.22 C=C(CO)CC(C)(C)CO Amb27628595 [0,2,0,0,0,0|2,0,0]=4 8423 B9R0.22 C=C(CO)SC(C)(C)CC Amb27969816 [0,2,0,0,0,0|2,0,0]=4 8424 B9R0.22 C=CC(=O)CC(C)(C)OC Amb27766728 [0,2,0,0,0,0|2,0,0]=4 8425 B9R0.22 C=CC(C)(C)CC(=O)OC Amb8390320 [0,2,0,0,0,0|0,0,2]=4 8426 B9R0.22 CC(C)(CN)C\C(N)=N\O Amb25061546 [0,2,0,0,0,0|2,0,0]=4 8427 B9R0.22 CC(C)(CO)CC(=O)CO Amb28074812 [0,2,0,0,0,0|1,0,0]=3 8428 B9R0.22 CCC(=O)CC(C)(Cl)CC Amb28141447 [0,2,0,0,0,0|1,0,0]=3 8429 B9R0.22 CCC(=O)CC(C)(N)CC Amb28364761 [0,2,0,0,0,0|1,0,0]=3 8430 B9R0.22 CCC(=O)CC(C)(O)CC Amb27663151 [0,2,0,0,0,0|1,0,0]=3 8431 B9R0.22 CCC(=O)OC(C)(C)CC Amb27946417 [0,2,0,0,0,0|2,0,0]=4 8432 B9R0.22 CCC(C)(C)CC(=O)NN Amb35719499 [0,2,0,0,0,0|1,0,0]=3 8433 B9R0.22 CCC(C)(C)CC(=O)NO Amb27853082 [0,2,0,0,0,0|0,0,0]=2 8434 B9R0.22 CCC(C)(C)CC(=O)OC Amb10572826 [0,2,0,0,0,0|0,0,0]=2 8435 B9R0.22 CCC(C)(C)CC(N)CO Amb33226014 [0,2,0,0,0,0|1,0,1]=4 8436 B9R0.22 CCC(C)(C)CC(O)CN Amb27596448 [0,2,0,0,0,0|1,0,1]=4 8437 B9R0.22 CCC(C)(C)C\C(N)=N\N Amb29854353 [0,2,0,0,0,0|2,0,0]=4 8438 B9R0.22 CCC(C)(C)NC(=O)CCl Amb1158211 [0,2,0,0,0,0|2,0,0]=4 8439 B9R0.22 CCC(C)(C)NC(=O)CN Amb6280616 [0,2,0,0,0,0|2,0,0]=4 8440 B9R0.22 CCC(C)(C)NC(=O)CO Amb9421628 [0,2,0,0,0,0|1,0,0]=3 8441 B9R0.22 CCC(C)(C)NC(=O)NC Amb28050552 [0,2,0,0,0,0|2,0,0]=4 8442 B9R0.22 CCC(C)(C)NC(=O)OC Amb27615136 [0,2,0,0,0,0|1,0,0]=3 8443 B9R0.22 CCC(C)(C)OC(=O)CBr Amb27806397 [0,2,0,0,0,0|2,0,0]=4 8444 B9R0.22 CCC(C)(C)\C=C(\C)C=O Amb28437059 [0,2,0,0,0,0|1,0,1]=4 8445 B9R0.22 CCC(C)(C)\C=C(\C)CO Amb27191738 [0,2,0,0,0,0|1,0,1]=4 8446 B9R0.22 CCC(C)(N)CC(=O)OC Amb20623801 [0,2,0,0,0,0|0,0,0]=2 8447 B9R0.22 CCC(C)(N)CC(O)CF Amb33220390 [0,2,0,0,0,0|1,0,1]=4 8448 B9R0.22 CCC(C)(N)CN(C)OC Amb27757192 [0,2,0,0,0,0|2,0,0]=4 8449 B9R0.22 CCC(C)(N)C\C(C)=C\Cl Amb35642893 [0,2,0,0,0,0|2,0,0]=4 8450 B9R0.22 CCC(C)CC(C)(C)C=O Amb25101819 [0,2,0,0,0,0|1,0,1]=4 8451 B9R0.22 CCC(C)CC(C)(C)CO Amb25778339 [0,2,0,0,0,0|1,0,1]=4 8452 B9R0.22 CCC(C)CC(C)(N)CO Amb33318472 [0,2,0,0,0,0|1,0,1]=4 8453 B9R0.22 CCC(C)CC(C)(O)CN Amb27219345 [0,2,0,0,0,0|1,0,1]=4 8454 B9R0.22 CCC(C)CS(=N)(=O)CC Amb32671080 [0,2,0,0,0,0|2,0,0]=4 8455 B9R0.22 CCC(C)CS(=O)(=O)NC Amb24482969 [0,2,0,0,0,0|1,0,1]=4 8456 B9R0.22 CCC(C)OP(=O)(O)CCl Amb27955194 [0,2,0,0,0,0|2,0,0]=4 8457 B9R0.22 CCC(F)(F)CC(=O)NC Amb35616304 [0,2,0,0,0,0|2,0,0]=4 8458 B9R0.22 CCC(F)(F)CC(=O)NN Amb29882462 [0,2,0,0,0,0|2,0,0]=4 8459 B9R0.22 CCC(F)(F)CC(=O)NO Amb29882432 [0,2,0,0,0,0|1,0,0]=3 8460 B9R0.22 CCC(F)(F)CC(=O)OC Amb27482408 [0,2,0,0,0,0|1,0,0]=3 8461 B9R0.22 CC[C@@](C)(N)CC(=O)OC Amb28340594 [0,2,0,0,0,0|0,0,0]=2 8462 B9R0.22 CC[C@](C)(N)CC(=O)OC Amb27629774 [0,2,0,0,0,0|0,0,0]=2 8463 B9R0.22 CNC(C)(C)CC(=O)OC Amb22059498 [0,2,0,0,0,0|1,0,0]=3 8464 B9R0.22 COC(=O)CC(C)(C)C#N Amb25068084 [0,2,0,0,0,0|1,0,1]=4 8465 B9R0.22 COC(=O)CC(C)(C)C=O Amb18644110 [0,2,0,0,0,0|1,0,1]=4 8466 B9R0.22 COC(=O)CC(C)(C)CN Amb26318188 [0,2,0,0,0,0|1,0,0]=3 8467 B9R0.22 COC(=O)CC(C)(C)CN Amb32683492 [0,2,0,0,0,0|1,0,0]=3 8468 B9R0.22 COC(=O)CC(C)(C)CO Amb26970121 [0,2,0,0,0,0|1,0,0]=3 8469 B9R0.22 COC(=O)CC(C)(Cl)C#N Amb25248555 [0,2,0,0,0,0|1,0,1]=4 8470 B9R0.22 COC(=O)CC(C)(N)CN Amb32787555 [0,2,0,0,0,0|1,0,0]=3 8471 B9R0.22 COC(=O)CC(C)(O)CCl Amb25340529 [0,2,0,0,0,0|1,0,0]=3 8472 B9R0.22 COC(=O)CC(C)(O)CO Amb27665374 [0,2,0,0,0,0|1,0,0]=3 8473 B9R0.22 COC(=O)CC(F)(F)CCl Amb26854372 [0,2,0,0,0,0|2,0,0]=4 8474 B9R0.22 COC(=O)CC(F)(F)CN Amb27208639 [0,2,0,0,0,0|2,0,0]=4 8475 B9R0.22 COC(=O)NC(C)(C)CN Amb18251296 [0,2,0,0,0,0|2,0,0]=4 8476 B9R0.22 COC(C)(C)CC(=O)CCl Amb24481071 [0,2,0,0,0,0|2,0,0]=4 8477 B9R0.22 COC(C)(C)CC(=O)CN Amb26964172 [0,2,0,0,0,0|2,0,0]=4 8478 B9R0.22 COC(C)(C)CC(=O)NN Amb25276112 [0,2,0,0,0,0|2,0,0]=4 8479 B9R0.10 CC(=O)CC(O)C(C)(C)C Amb28315879 [0,2,0,0,0,0|2,0,0]=4 8480 B9R0.10 CC(=O)C[C@H](O)C(C)(C)C Amb27250072 [0,2,0,0,0,0|2,0,0]=4 8481 B9R0.10 CC(C)(C)C(N)CC(=O)O Amb31307616 [0,2,0,0,0,0|1,0,0]=3 8482 B9R0.10 CC(C)(C)C(N)CC(=O)O Amb8515866 [0,2,0,0,0,0|1,0,0]=3 8483 B9R0.10 CC(C)(C)C(N)CC(N)=O Amb25304992 [0,2,0,0,0,0|2,0,0]=4 8484 B9R0.10 CC(C)(C)C(O)CC(=O)O Amb17232006 [0,2,0,0,0,0|1,0,0]=3 8485 B9R0.10 CC(C)(C)S(=O)CC(=O)O Amb18974534 [0,2,0,0,0,0|2,0,0]=4 8486 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O Amb19888358 [0,2,0,0,0,0|1,0,0]=3 8487 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O Amb33456414 [0,2,0,0,0,0|1,0,0]=3 8488 B9R0.10 CC(C)(C)[C@@H](O)CC(=O)O Amb24505172 [0,2,0,0,0,0|1,0,0]=3 8489 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O Amb33456294 [0,2,0,0,0,0|1,0,0]=3 8490 B9R0.10 CC(C)(C)[C@H](O)CC(=O)O Amb25889023 [0,2,0,0,0,0|1,0,0]=3 8491 B9R0.10 CC(C)(C)[C@H]([NH3+])CC(=O)[O-] Amb22224981 [0,2,0,0,0,0|1,0,1]=4 8492 B9R0.10 CC(C)(F)C(N)CC(=O)O Amb33273018 [0,2,0,0,0,0|1,0,0]=3 8493 B9R0.10 CC(C)(F)C(O)CC(=O)O Amb33272209 [0,2,0,0,0,0|1,0,0]=3 8494 B9R0.10 CC(C)(F)[C@@H](O)CC(=O)O Amb33272208 [0,2,0,0,0,0|1,0,0]=3 8495 B9R0.10 CC(C)(F)[C@H](O)CC(=O)O Amb33225482 [0,2,0,0,0,0|1,0,0]=3 8496 B9R0.10 CC(C)(S)C(N)CC(=O)O Amb28182470 [0,2,0,0,0,0|1,0,0]=3 8497 B9R0.10 CC(C)(S)C(N)C[PH](=O)O Amb27792834 [0,2,0,0,0,0|2,0,0]=4 8498 B9R0.10 CC(CC(=O)Cl)C(C)(C)C Amb27194252 [0,2,0,0,0,0|1,0,0]=3 8499 B9R0.10 CC(CC(=O)Cl)C(F)(F)F Amb24471535 [0,2,0,0,0,0|2,0,0]=4 8500 B9R0.10 CC(CC(=O)O)C(C)(C)C Amb6749223 [0,2,0,0,0,0|0,0,0]=2 8501 B9R0.10 CC(CC(=O)O)C(C)(C)F Amb27633286 [0,2,0,0,0,0|0,0,0]=2 8502 B9R0.10 CC(CC(=O)O)C(C)(C)N Amb19651352 [0,2,0,0,0,0|0,0,0]=2 8503 B9R0.10 CC(CC(=O)O)C(C)(C)O Amb27815005 [0,2,0,0,0,0|0,0,0]=2 8504 B9R0.10 CC(CC(=O)O)C(Cl)(Cl)Cl Amb27643592 [0,2,0,0,0,0|1,0,0]=3 8505 B9R0.10 CC(CC(=O)O)C(F)(F)F Amb2690936 [0,2,0,0,0,0|1,0,0]=3 8506 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [0,2,0,0,0,0|2,0,0]=4 8507 B9R0.10 CC(CC(N)=O)C(C)(C)N Amb27463473 [0,2,0,0,0,0|1,0,0]=3 8508 B9R0.10 CC(CC(N)=O)C(F)(F)F Amb27873121 [0,2,0,0,0,0|2,0,0]=4 8509 B9R0.10 CC(CC(N)=O)[Si](C)(C)C Amb27966699 [0,2,0,0,0,0|1,1,0]=4 8510 B9R0.10 CC(CS(=O)Cl)C(C)(C)C Amb32720661 [0,2,0,0,0,0|2,0,0]=4 8511 B9R0.10 CC(CS(=O)[O-])C(C)(C)C Amb32755647 [0,2,0,0,0,0|1,0,1]=4 8512 B9R0.10 CC(CS(N)=O)C(C)(C)C Amb32720662 [0,2,0,0,0,0|2,0,0]=4 8513 B9R0.10 CC(F)(F)C(N)CC(=O)O Amb32810091 [0,2,0,0,0,0|1,0,0]=3 8514 B9R0.10 CC(F)(F)C(O)CC(=O)O Amb32809827 [0,2,0,0,0,0|1,0,0]=3 8515 B9R0.10 CC(F)(F)[C@@H](O)CC(=O)O Amb33482321 [0,2,0,0,0,0|1,0,0]=3 8516 B9R0.10 CC(F)(F)[C@H](O)CC(=O)O Amb32809834 [0,2,0,0,0,0|1,0,0]=3 8517 B9R0.10 CC(NC(=O)Cl)C(C)(C)C Amb35625608 [0,2,0,0,0,0|2,0,0]=4 8518 B9R0.10 CC(NC(=O)Cl)C(C)(F)F Amb35636878 [0,2,0,0,0,0|2,0,0]=4 8519 B9R0.10 CC(O)CC(C)C(C)(C)O Amb27207013 [0,2,0,0,0,0|1,0,1]=4 8520 B9R0.10 CN(CC(=O)O)C(C)(C)C Amb17334246 [0,2,0,0,0,0|1,0,0]=3 8521 B9R0.10 CN(CC(=O)O)S(C)(=N)=O Amb35695561 [0,2,0,0,0,0|2,0,0]=4 8522 B9R0.10 CN(CC(=O)O)S(C)(=O)=O Amb1111612 [0,2,0,0,0,0|2,0,0]=4 8523 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [0,2,0,0,0,0|2,0,0]=4 8524 B9R0.10 C[C@@H](CC(=O)O)C(C)(C)C Amb28050110 [0,2,0,0,0,0|0,0,0]=2 8525 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [0,2,0,0,0,0|2,0,0]=4 8526 B9R0.10 C\C(=C/C(=O)O)C(C)(C)C Amb6749108 [0,2,0,0,0,0|0,0,2]=4 8527 B9R0.10 C\C(=C\C(=O)O)C(C)(C)C Amb28314071 [0,2,0,0,0,0|0,0,2]=4 8528 B9R0.10 NC(CC(=O)O)C(F)(F)Cl Amb27483984 [0,2,0,0,0,0|2,0,0]=4 8529 B9R0.10 NC(CC(=O)O)C(F)(F)F Amb1091770 [0,2,0,0,0,0|2,0,0]=4 8530 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F Amb22388421 [0,2,0,0,0,0|2,0,0]=4 8531 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F Amb20670844 [0,2,0,0,0,0|2,0,0]=4 8532 B9R0.10 O=C(O)CC(Cl)C(F)(Cl)Cl Amb27636927 [0,2,0,0,0,0|2,0,0]=4 8533 B9R0.10 O=C(O)CC(Cl)C(F)(F)F Amb33330159 [0,2,0,0,0,0|2,0,0]=4 8534 B9R0.10 O=C(O)CC(F)C(F)(F)F Amb24472441 [0,2,0,0,0,0|2,0,0]=4 8535 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl Amb2782906 [0,2,0,0,0,0|2,0,0]=4 8536 B9R0.10 O=C(O)CC(O)C(F)(F)F Amb5720894 [0,2,0,0,0,0|2,0,0]=4 8537 B9R0.10 O=C(O)CC(S)C(F)(F)F Amb18790270 [0,2,0,0,0,0|2,0,0]=4 8538 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F Amb10838307 [0,2,0,0,0,0|2,0,0]=4 8539 B9R0.10 [NH3+]C(CC(=O)O)C(F)(F)F Amb4013621 [0,2,0,0,0,0|2,0,0]=4 8540 B9R0.11 C=C(C)C(C)(C)CC(=O)O Amb25703730 [0,2,0,0,0,0|0,0,1]=3 8541 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb22641962 [0,2,0,0,0,0|0,0,1]=3 8542 B9R0.11 C=C(C)C(C)(N)CC(=O)O Amb31307620 [0,2,0,0,0,0|0,0,1]=3 8543 B9R0.11 C=C(C)C(F)(F)CC(=O)O Amb32810021 [0,2,0,0,0,0|1,0,1]=4 8544 B9R0.11 C=C(C)CC(C)(C)C(C)O Amb28065295 [0,2,0,0,0,0|2,0,0]=4 8545 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [0,2,0,0,0,0|0,0,1]=3 8546 B9R0.11 CC(=O)C(C)(C)CC(N)=O Amb26055921 [0,2,0,0,0,0|1,0,1]=4 8547 B9R0.11 CC(=O)CC(C)(O)C(C)C Amb28131972 [0,2,0,0,0,0|1,0,0]=3 8548 B9R0.11 CC(=O)NC(C)(C)C(C)C Amb22723319 [0,2,0,0,0,0|2,0,0]=4 8549 B9R0.11 CC(=O)OC(C)(C)C(C)Cl Amb27484107 [0,2,0,0,0,0|2,0,0]=4 8550 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [0,2,0,0,0,0|1,0,1]=4 8551 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [0,2,0,0,0,0|1,0,1]=4 8552 B9R0.11 CC(C)(CC(=O)O)C(F)F Amb28184494 [0,2,0,0,0,0|1,0,0]=3 8553 B9R0.11 CC(C)(CC(=O)O)C(N)=S Amb17466449 [0,2,0,0,0,0|1,0,1]=4 8554 B9R0.11 CC(C)(CC(=O)O)N(Cl)Cl Amb24384343 [0,2,0,0,0,0|2,0,0]=4 8555 B9R0.11 CC(C)C(C)(C)CC(=O)O Amb18124695 [0,2,0,0,0,0|0,0,0]=2 8556 B9R0.11 CC(C)C(C)(C)CS(=O)Cl Amb32720679 [0,2,0,0,0,0|2,0,0]=4 8557 B9R0.11 CC(C)C(C)(C)CS(=O)[O-] Amb32754960 [0,2,0,0,0,0|1,0,1]=4 8558 B9R0.11 CC(C)C(C)(C)CS(N)=O Amb32720666 [0,2,0,0,0,0|2,0,0]=4 8559 B9R0.11 CC(C)C(C)(C)NC(=O)Cl Amb35625797 [0,2,0,0,0,0|2,0,0]=4 8560 B9R0.11 CC(C)C(C)(C)NC(N)=O Amb28050034 [0,2,0,0,0,0|2,0,0]=4 8561 B9R0.11 CC(C)C(C)(N)CC(=O)O Amb25934755 [0,2,0,0,0,0|0,0,0]=2 8562 B9R0.11 CC(C)C(C)(N)CC(N)=O Amb32787537 [0,2,0,0,0,0|1,0,0]=3 8563 B9R0.11 CC(C)C(C)(O)CC(=O)O Amb18991699 [0,2,0,0,0,0|0,0,0]=2 8564 B9R0.11 CC(C)C(F)(F)CC(=O)O Amb26991653 [0,2,0,0,0,0|1,0,0]=3 8565 B9R0.11 CC(C)S(=O)(=O)CC(=O)O Amb6281038 [0,2,0,0,0,0|2,0,0]=4 8566 B9R0.11 CC(C)[C@@](C)(N)CC(=O)O Amb27185746 [0,2,0,0,0,0|0,0,0]=2 8567 B9R0.11 CC(C)[C@](C)(N)CC(=O)O Amb28346262 [0,2,0,0,0,0|0,0,0]=2 8568 B9R0.11 CC(C)[C@](C)(O)CC(=O)O Amb27810826 [0,2,0,0,0,0|0,0,0]=2 8569 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [0,2,0,0,0,0|1,0,1]=4 8570 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [0,2,0,0,0,0|1,0,1]=4 8571 B9R0.11 CC(N)(CC(=O)O)C(F)F Amb32787868 [0,2,0,0,0,0|1,0,0]=3 8572 B9R0.11 CC(N)(CC(=O)O)C(F)F Amb35788392 [0,2,0,0,0,0|1,0,0]=3 8573 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [0,2,0,0,0,0|2,0,0]=4 8574 B9R0.11 CC(N)(CC(N)=O)C(F)F Amb32787695 [0,2,0,0,0,0|2,0,0]=4 8575 B9R0.11 CC(N)C(C)(C)CC(=O)O Amb26440704 [0,2,0,0,0,0|0,0,0]=2 8576 B9R0.11 CC(N)C(C)(N)CC(=O)O Amb33255266 [0,2,0,0,0,0|0,0,0]=2 8577 B9R0.11 CC(N)C(C)(N)CC(N)=O Amb33254064 [0,2,0,0,0,0|1,0,0]=3 8578 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [0,2,0,0,0,0|1,0,1]=4 8579 B9R0.11 CN(C)C(C)(C)CC(=O)O Amb27839164 [0,2,0,0,0,0|1,0,0]=3 8580 B9R0.11 CN(O)C(C)(C)CC(=O)O Amb30025601 [0,2,0,0,0,0|1,0,0]=3 8581 B9R0.11 CS(=O)C(C)(C)CC(=O)O Amb28128345 [0,2,0,0,0,0|1,0,0]=3 8582 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [0,2,0,0,0,0|1,0,1]=4 8583 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [0,2,0,0,0,0|1,0,1]=4 8584 B9R0.11 O=C(O)CC(F)(F)C(F)F Amb7793548 [0,2,0,0,0,0|2,0,0]=4 8585 B9R0.57 CC(C)C(C)CS(=O)(=O)Cl Amb25300919 [0,2,0,0,0,0|1,0,1]=4 8586 B9R0.57 CC(C)C(C)CS(=O)(=O)F Amb33352331 [0,2,0,0,0,0|1,0,1]=4 8587 B9R0.57 CC(C)C(C)CS(N)(=O)=O Amb26643308 [0,2,0,0,0,0|1,0,1]=4 8588 B9R0.57 CC(C)C(C)OP(C)(=O)O Amb25104688 [0,2,0,0,0,0|2,0,0]=4 8589 B9R0.57 CC(C)[C@@H](N)CP(C)(=O)O Amb27476831 [0,2,0,0,0,0|2,0,0]=4 8590 B9R0.57 CC(N)C(C)OS(=O)(=O)O Amb28208269 [0,2,0,0,0,0|2,0,0]=4 8591 B9R0.57 C[C@@H](N)[C@@H](C)OP(=O)(O)O Amb27593196 [0,2,0,0,0,0|2,0,0]=4 8592 B9R0.57 C[C@@H](O)[C@H](N)CS(=O)(=O)O Amb27483111 [0,2,0,0,0,0|2,0,0]=4 8593 B9R0.57 C[C@H](O)[C@@H](O)CP(=O)(O)O Amb28079090 [0,2,0,0,0,0|2,0,0]=4 8594 B9R0.30 CCC(C)(C)CC(C)(C)O Amb33267013 [0,2,0,0,0,0|1,0,1]=4 8595 B9R0.30 CCC(C)(C)CS(=O)(=O)Cl Amb26851857 [0,2,0,0,0,0|1,0,1]=4 8596 B9R0.30 CCC(C)(C)CS(=O)(=O)F Amb32718925 [0,2,0,0,0,0|1,0,1]=4 8597 B9R0.30 CCC(C)(C)CS(N)(=O)=O Amb25760985 [0,2,0,0,0,0|1,0,1]=4 8598 B9R0.30 CCC(C)(N)CC(C)(C)O Amb35615102 [0,2,0,0,0,0|1,0,1]=4 8599 B9R0.30 CCC(C)(N)CS(=O)(=O)F Amb33463786 [0,2,0,0,0,0|1,0,1]=4 8600 B7R1.1 BrCC1CC=CC1 Amb25216921 [1,0,0,1,0,0|2,0,0]=4 8601 B7R1.1 BrCC1CCOC1 Amb8835455 [1,0,0,1,0,0|1,0,1]=4 8602 B7R1.1 CCC1C=CCC1 Amb4020582 [1,0,0,1,0,0|1,0,1]=4 8603 B7R1.1 CCC1CC=CC1 Amb30033009 [1,0,0,1,0,0|1,0,0]=3 8604 B7R1.1 CCC1CC=NN1 Amb32694405 [1,0,0,1,0,0|2,0,0]=4 8605 B7R1.1 CCC1CCCC1 Amb22053788 [1,0,0,1,0,0|1,0,1]=4 8606 B7R1.1 CCC1CCNC1 Amb18946548 [1,0,0,1,0,0|1,0,1]=4 8607 B7R1.1 CCC1CCNC1 Amb20630619 [1,0,0,1,0,0|1,0,1]=4 8608 B7R1.1 CCC1COCO1 Amb24567580 [1,0,0,1,0,0|1,0,1]=4 8609 B7R1.1 CCN1CCOC1 Amb26603215 [1,0,0,1,0,0|1,0,1]=4 8610 B7R1.1 CC[C@@H]1CCNC1 Amb33801216 [1,0,0,1,0,0|1,0,1]=4 8611 B7R1.1 CC[C@H]1CCNC1 Amb27458282 [1,0,0,1,0,0|1,0,1]=4 8612 B7R1.1 CC[C@H]1CCNC1 Amb30594227 [1,0,0,1,0,0|1,0,1]=4 8613 B7R1.1 CNC1CCOC1 Amb20241377 [1,0,0,1,0,0|1,0,1]=4 8614 B7R1.1 CNC1CCOC1 Amb8009837 [1,0,0,1,0,0|1,0,1]=4 8615 B7R1.1 CN[C@@H]1CCOC1 Amb20241026 [1,0,0,1,0,0|1,0,1]=4 8616 B7R1.1 CN[C@@H]1CCOC1 Amb33330851 [1,0,0,1,0,0|1,0,1]=4 8617 B7R1.1 CN[C@H]1CCOC1 Amb20240861 [1,0,0,1,0,0|1,0,1]=4 8618 B7R1.1 CN[C@H]1CCOC1 Amb20241500 [1,0,0,1,0,0|1,0,1]=4 8619 B7R1.1 COC1CC=CC1 Amb27421499 [1,0,0,1,0,0|2,0,0]=4 8620 B7R1.1 ClCC1CC=CC1 Amb25059951 [1,0,0,1,0,0|2,0,0]=4 8621 B7R1.1 ClCC1CCOC1 Amb9754529 [1,0,0,1,0,0|1,0,1]=4 8622 B7R1.1 ICC1CCOC1 Amb23439064 [1,0,0,1,0,0|1,0,1]=4 8623 B7R1.1 NCC1CC=CC1 Amb22301490 [1,0,0,1,0,0|2,0,0]=4 8624 B7R1.1 NCC1CCOC1 Amb33536658 [1,0,0,1,0,0|1,0,1]=4 8625 B7R1.1 NCC1CCOC1 Amb7969615 [1,0,0,1,0,0|1,0,1]=4 8626 B7R1.1 NC[C@@H]1CCOC1 Amb26870648 [1,0,0,1,0,0|1,0,1]=4 8627 B7R1.1 NC[C@@H]1CCOC1 Amb31204704 [1,0,0,1,0,0|1,0,1]=4 8628 B7R1.1 NC[C@H]1CCOC1 Amb23439065 [1,0,0,1,0,0|1,0,1]=4 8629 B7R1.1 NC[C@H]1CCOC1 Amb23439174 [1,0,0,1,0,0|1,0,1]=4 8630 B7R1.1 OCC1CC=CC1 Amb2695403 [1,0,0,1,0,0|2,0,0]=4 8631 B7R1.1 OCC1CCOC1 Amb9748290 [1,0,0,1,0,0|1,0,1]=4 8632 B7R1.1 OCC1CNOC1 Amb27867600 [1,0,0,1,0,0|2,0,0]=4 8633 B7R1.1 OC[C@@H]1CCOC1 Amb28189753 [1,0,0,1,0,0|1,0,1]=4 8634 B7R1.1 OC[C@H]1CCOC1 Amb22746669 [1,0,0,1,0,0|1,0,1]=4 8635 B7R1.1 SCC1CC=CC1 Amb30032288 [1,0,0,1,0,0|2,0,0]=4 8636 B7R1.1 SCC1CCOC1 Amb26919281 [1,0,0,1,0,0|1,0,1]=4 8637 B7R1.2 C=C1CCC(Br)C1 Amb25135798 [1,0,0,1,0,0|2,0,0]=4 8638 B7R1.2 C=C1COC(C)C1 Amb35695393 [1,0,0,1,0,0|2,0,0]=4 8639 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [1,0,0,1,0,0|0,0,2]=4 8640 B7R1.2 CC1=CC(C)CC1 Amb24479860 [1,0,0,1,0,0|1,0,1]=4 8641 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [1,0,0,1,0,0|0,0,2]=4 8642 B7R1.2 CC1CC(=O)CN1 Amb28349308 [1,0,0,1,0,0|1,0,0]=3 8643 B7R1.2 CC1CC(=O)CO1 Amb25888380 [1,0,0,1,0,0|1,0,0]=3 8644 B7R1.2 CC1CC(=O)CS1 Amb23598370 [1,0,0,1,0,0|1,0,0]=3 8645 B7R1.2 CC1CC(=O)NN1 Amb493880 [1,0,0,1,0,0|2,0,0]=4 8646 B7R1.2 CC1CC(O)CN1 Amb33329377 [1,0,0,1,0,0|1,0,1]=4 8647 B7R1.2 CC1CC(O)CN1 Amb33545349 [1,0,0,1,0,0|1,0,1]=4 8648 B7R1.2 CC1CC(O)CO1 Amb28430079 [1,0,0,1,0,0|1,0,1]=4 8649 B7R1.2 CC1CCC(=O)C1 Amb8513672 [1,0,0,1,0,0|0,0,0]=2 8650 B7R1.2 CC1CCC(=O)N1 Amb19267101 [1,0,0,1,0,0|1,0,0]=3 8651 B7R1.2 CC1CCC(=O)O1 Amb6298321 [1,0,0,1,0,0|1,0,0]=3 8652 B7R1.2 CC1CCC(=O)S1 Amb27252897 [1,0,0,1,0,0|1,0,0]=3 8653 B7R1.2 CC1CCC(=S)N1 Amb27849283 [1,0,0,1,0,0|1,1,0]=4 8654 B7R1.2 CC1CCC(Br)C1 Amb26339047 [1,0,0,1,0,0|1,0,1]=4 8655 B7R1.2 CC1CCC(Cl)C1 Amb25129430 [1,0,0,1,0,0|1,0,1]=4 8656 B7R1.2 CC1CCC(I)C1 Amb27402602 [1,0,0,1,0,0|1,0,1]=4 8657 B7R1.2 CC1CCC(N)C1 Amb20669202 [1,0,0,1,0,0|1,0,1]=4 8658 B7R1.2 CC1CCC(N)C1 Amb24062164 [1,0,0,1,0,0|1,0,1]=4 8659 B7R1.2 CC1CCC(O)C1 Amb4605822 [1,0,0,1,0,0|0,0,1]=3 8660 B7R1.2 CC1CCC(O)N1 Amb28067624 [1,0,0,1,0,0|1,0,1]=4 8661 B7R1.2 CC1CCC(S)C1 Amb25829470 [1,0,0,1,0,0|0,1,1]=4 8662 B7R1.2 CC1CCN(N)C1 Amb24385963 [1,0,0,1,0,0|2,0,0]=4 8663 B7R1.2 CC1CNC(=O)C1 Amb10608004 [1,0,0,1,0,0|1,0,0]=3 8664 B7R1.2 CC1CNC(=O)N1 Amb17506853 [1,0,0,1,0,0|2,0,0]=4 8665 B7R1.2 CC1CNC(=O)O1 Amb19651732 [1,0,0,1,0,0|2,0,0]=4 8666 B7R1.2 CC1COC(=O)C1 Amb22231914 [1,0,0,1,0,0|1,0,0]=3 8667 B7R1.2 CC1COC(=O)N1 Amb19517037 [1,0,0,1,0,0|2,0,0]=4 8668 B7R1.2 CC1COC(=O)O1 Amb8513300 [1,0,0,1,0,0|2,0,0]=4 8669 B7R1.2 CC1COC(O)C1 Amb28050442 [1,0,0,1,0,0|1,0,1]=4 8670 B7R1.2 CC1CSC(=O)N1 Amb28320497 [1,0,0,1,0,0|2,0,0]=4 8671 B7R1.2 CC1NC(=O)CS1 Amb27806202 [1,0,0,1,0,0|2,0,0]=4 8672 B7R1.2 CC1NCC(=O)N1 Amb28456791 [1,0,0,1,0,0|2,0,0]=4 8673 B7R1.2 CC1OC(=O)CS1 Amb25314322 [1,0,0,1,0,0|2,0,0]=4 8674 B7R1.2 CN1CCC(=O)C1 Amb22236123 [1,0,0,1,0,0|1,0,0]=3 8675 B7R1.2 CN1CCC(=O)C1 Amb8947873 [1,0,0,1,0,0|1,0,0]=3 8676 B7R1.2 CN1CCC(=O)N1 Amb24064860 [1,0,0,1,0,0|2,0,0]=4 8677 B7R1.2 CN1CCC(O)C1 Amb32652719 [1,0,0,1,0,0|1,0,1]=4 8678 B7R1.2 CN1CCC(O)C1 Amb8384297 [1,0,0,1,0,0|1,0,1]=4 8679 B7R1.2 CN1CC[C@@H](O)C1 Amb8386825 [1,0,0,1,0,0|1,0,1]=4 8680 B7R1.2 CN1CC[C@H](O)C1 Amb10070789 [1,0,0,1,0,0|1,0,1]=4 8681 B7R1.2 CP1CC[C@H](O)C1 Amb27452496 [1,0,0,1,0,0|1,0,1]=4 8682 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [1,0,0,1,0,0|0,0,2]=4 8683 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [1,0,0,1,0,0|0,0,0]=2 8684 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [1,0,0,1,0,0|1,0,0]=3 8685 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [1,0,0,1,0,0|1,0,0]=3 8686 B7R1.2 C[C@@H]1CC[C@@H](Br)C1 Amb27791803 [1,0,0,1,0,0|1,0,1]=4 8687 B7R1.2 C[C@@H]1CC[C@@H](C)C1 Amb25176920 [1,0,0,1,0,0|1,0,1]=4 8688 B7R1.2 C[C@@H]1CC[C@H](O)C1 Amb27853110 [1,0,0,1,0,0|0,0,1]=3 8689 B7R1.2 C[C@@H]1CNC(=O)C1 Amb22746719 [1,0,0,1,0,0|1,0,0]=3 8690 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [1,0,0,1,0,0|2,0,0]=4 8691 B7R1.2 C[C@@H]1COC(=O)C1 Amb19944613 [1,0,0,1,0,0|1,0,0]=3 8692 B7R1.2 C[C@@H]1COC(=O)N1 Amb22745849 [1,0,0,1,0,0|2,0,0]=4 8693 B7R1.2 C[C@@H]1COC(=O)O1 Amb8383956 [1,0,0,1,0,0|2,0,0]=4 8694 B7R1.2 C[C@@H]1COC(O)C1 Amb27399504 [1,0,0,1,0,0|1,0,1]=4 8695 B7R1.2 C[C@@H]1CO[C@@H](O)C1 Amb27422487 [1,0,0,1,0,0|1,0,1]=4 8696 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Amb22746400 [1,0,0,1,0,0|1,0,1]=4 8697 B7R1.2 C[C@@H]1C[C@H](O)CN1 Amb22886268 [1,0,0,1,0,0|1,0,1]=4 8698 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [1,0,0,1,0,0|0,0,2]=4 8699 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [1,0,0,1,0,0|1,0,0]=3 8700 B7R1.2 C[C@H]1CC[C@H](C)C1 Amb22747863 [1,0,0,1,0,0|1,0,1]=4 8701 B7R1.2 C[C@H]1CNC(=O)C1 Amb26584475 [1,0,0,1,0,0|1,0,0]=3 8702 B7R1.2 C[C@H]1CNC(=O)N1 Amb27413051 [1,0,0,1,0,0|2,0,0]=4 8703 B7R1.2 C[C@H]1COC(=O)C1 Amb25064301 [1,0,0,1,0,0|1,0,0]=3 8704 B7R1.2 C[C@H]1COC(=O)N1 Amb8391158 [1,0,0,1,0,0|2,0,0]=4 8705 B7R1.2 C[C@H]1COC(=O)O1 Amb8516313 [1,0,0,1,0,0|2,0,0]=4 8706 B7R1.2 C[C@H]1C[C@@H](O)CN1 Amb33872130 [1,0,0,1,0,0|1,0,1]=4 8707 B7R1.2 C[C@H]1C[C@@H](O)CO1 Amb28245786 [1,0,0,1,0,0|1,0,1]=4 8708 B7R1.2 C[C@H]1C[C@@H](O)CS1 Amb27662171 [1,0,0,1,0,0|1,0,1]=4 8709 B7R1.2 C[C@H]1C[C@H](O)CN1 Amb33801108 [1,0,0,1,0,0|1,0,1]=4 8710 B7R1.2 NC1CCC(=O)C1 Amb22494268 [1,0,0,1,0,0|1,0,0]=3 8711 B7R1.2 NC1CCC(=O)N1 Amb24480433 [1,0,0,1,0,0|2,0,0]=4 8712 B7R1.2 NC1CCC(=O)O1 Amb17593085 [1,0,0,1,0,0|2,0,0]=4 8713 B7R1.2 NC1CCC(O)C1 Amb18561405 [1,0,0,1,0,0|1,0,1]=4 8714 B7R1.2 NC1CCC(O)C1 Amb19958405 [1,0,0,1,0,0|1,0,1]=4 8715 B7R1.2 NC1CCS(=O)C1 Amb19149072 [1,0,0,1,0,0|2,0,0]=4 8716 B7R1.2 NC1CCS(=O)C1 Amb25133789 [1,0,0,1,0,0|2,0,0]=4 8717 B7R1.2 NC1CNC(=O)C1 Amb17760661 [1,0,0,1,0,0|2,0,0]=4 8718 B7R1.2 NC1CNC(=O)C1 Amb33544169 [1,0,0,1,0,0|2,0,0]=4 8719 B7R1.2 NC1COC(=O)C1 Amb30594428 [1,0,0,1,0,0|2,0,0]=4 8720 B7R1.2 NC1COC(=O)C1 Amb9782136 [1,0,0,1,0,0|2,0,0]=4 8721 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Amb10066961 [1,0,0,1,0,0|1,0,1]=4 8722 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Amb16233749 [1,0,0,1,0,0|1,0,1]=4 8723 B7R1.2 N[C@@H]1CC[C@H](O)C1 Amb10066973 [1,0,0,1,0,0|1,0,1]=4 8724 B7R1.2 N[C@@H]1CC[C@H](O)C1 Amb22406236 [1,0,0,1,0,0|1,0,1]=4 8725 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22226165 [1,0,0,1,0,0|2,0,0]=4 8726 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22756464 [1,0,0,1,0,0|2,0,0]=4 8727 B7R1.2 N[C@@H]1CNC(=O)C1 Amb33714529 [1,0,0,1,0,0|2,0,0]=4 8728 B7R1.2 N[C@@H]1COC(=O)C1 Amb16233747 [1,0,0,1,0,0|2,0,0]=4 8729 B7R1.2 N[C@@H]1COC(=O)C1 Amb26477774 [1,0,0,1,0,0|2,0,0]=4 8730 B7R1.2 N[C@H]1CCC(=O)N1 Amb27482175 [1,0,0,1,0,0|2,0,0]=4 8731 B7R1.2 N[C@H]1CC[C@@H](O)C1 Amb10066971 [1,0,0,1,0,0|1,0,1]=4 8732 B7R1.2 N[C@H]1CC[C@@H](O)C1 Amb22274622 [1,0,0,1,0,0|1,0,1]=4 8733 B7R1.2 N[C@H]1CC[C@@H](O)C1 Amb34916039 [1,0,0,1,0,0|1,0,1]=4 8734 B7R1.2 N[C@H]1CC[C@H](O)C1 Amb10066972 [1,0,0,1,0,0|1,0,1]=4 8735 B7R1.2 N[C@H]1CC[C@H](O)C1 Amb22386861 [1,0,0,1,0,0|1,0,1]=4 8736 B7R1.2 N[C@H]1CNC(=O)C1 Amb22225365 [1,0,0,1,0,0|2,0,0]=4 8737 B7R1.2 N[C@H]1CNC(=O)C1 Amb33801336 [1,0,0,1,0,0|2,0,0]=4 8738 B7R1.2 N[C@H]1COC(=O)C1 Amb19516097 [1,0,0,1,0,0|2,0,0]=4 8739 B7R1.2 N[C@H]1COC(=O)C1 Amb25264112 [1,0,0,1,0,0|2,0,0]=4 8740 B7R1.2 O=C1CC(F)CO1 Amb24431109 [1,0,0,1,0,0|2,0,0]=4 8741 B7R1.2 O=C1CC(I)CO1 Amb27401189 [1,0,0,1,0,0|2,0,0]=4 8742 B7R1.2 O=C1CC(O)CN1 Amb19958404 [1,0,0,1,0,0|2,0,0]=4 8743 B7R1.2 O=C1CC(O)CO1 Amb4006296 [1,0,0,1,0,0|2,0,0]=4 8744 B7R1.2 O=C1CC(S)CN1 Amb25685875 [1,0,0,1,0,0|2,0,0]=4 8745 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [1,0,0,1,0,0|1,0,1]=4 8746 B7R1.2 O=C1CCC(Br)C1 Amb24334292 [1,0,0,1,0,0|1,0,0]=3 8747 B7R1.2 O=C1CCC(Br)N1 Amb27592181 [1,0,0,1,0,0|2,0,0]=4 8748 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [1,0,0,1,0,0|2,0,0]=4 8749 B7R1.2 O=C1CCC(Cl)C1 Amb26585347 [1,0,0,1,0,0|1,0,0]=3 8750 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [1,0,0,1,0,0|2,0,0]=4 8751 B7R1.2 O=C1CCC(F)C1 Amb21963553 [1,0,0,1,0,0|1,0,0]=3 8752 B7R1.2 O=C1CCC(O)C1 Amb22057378 [1,0,0,1,0,0|1,0,0]=3 8753 B7R1.2 O=C1CCC(O)O1 Amb22740957 [1,0,0,1,0,0|2,0,0]=4 8754 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [1,0,0,1,0,0|2,0,0]=4 8755 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [1,0,0,1,0,0|1,0,0]=3 8756 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [1,0,0,1,0,0|2,0,0]=4 8757 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [1,0,0,1,0,0|1,0,0]=3 8758 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [1,0,0,1,0,0|2,0,0]=4 8759 B7R1.2 O=C1C[C@@H](O)CN1 Amb15691722 [1,0,0,1,0,0|2,0,0]=4 8760 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [1,0,0,1,0,0|2,0,0]=4 8761 B7R1.2 O=C1C[C@@H](S)CN1 Amb22225368 [1,0,0,1,0,0|2,0,0]=4 8762 B7R1.2 O=C1C[C@H](O)CN1 Amb8386060 [1,0,0,1,0,0|2,0,0]=4 8763 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [1,0,0,1,0,0|2,0,0]=4 8764 B7R1.2 O=C1C[C@H](S)CN1 Amb22226251 [1,0,0,1,0,0|2,0,0]=4 8765 B7R1.2 O=S1CCC(Br)C1 Amb27872345 [1,0,0,1,0,0|2,0,0]=4 8766 B7R1.2 O=S1CCC(O)C1 Amb26600157 [1,0,0,1,0,0|2,0,0]=4 8767 B7R1.2 O=S1CC[C@@H](O)C1 Amb28191911 [1,0,0,1,0,0|2,0,0]=4 8768 B7R1.2 OC1CCC(O)C1 Amb8513837 [1,0,0,1,0,0|1,0,1]=4 8769 B7R1.2 OC1CCN(O)C1 Amb27430271 [1,0,0,1,0,0|2,0,0]=4 8770 B7R1.2 O[C@@H]1CC[C@@H](O)C1 Amb24519755 [1,0,0,1,0,0|1,0,1]=4 8771 B7R1.2 O[C@H]1CC[C@@H](O)C1 Amb26035335 [1,0,0,1,0,0|1,0,1]=4 8772 B7R1.2 O[C@H]1CC[C@H](O)C1 Amb26400686 [1,0,0,1,0,0|1,0,1]=4 8773 B7R1.2 [NH3+]C1CNC(=O)C1 Amb24112953 [1,0,0,1,0,0|2,0,0]=4 8774 B7R1.3 BrC1CC=CCC1 Amb22229671 [1,0,0,1,0,0|2,0,0]=4 8775 B7R1.3 BrC1CCOCC1 Amb9472764 [1,0,0,1,0,0|1,0,1]=4 8776 B7R1.3 CC1C=CCCC1 Amb8515346 [1,0,0,1,0,0|1,0,1]=4 8777 B7R1.3 CC1C=COCC1 Amb27985265 [1,0,0,1,0,0|0,0,1]=3 8778 B7R1.3 CC1CC=CCN1 Amb27460532 [1,0,0,1,0,0|2,0,0]=4 8779 B7R1.3 CC1CC=NCC1 Amb27453017 [1,0,0,1,0,0|1,0,0]=3 8780 B7R1.3 CC1CCCNC1 Amb22491688 [1,0,0,1,0,0|2,0,0]=4 8781 B7R1.3 CC1CCCNC1 Amb9703089 [1,0,0,1,0,0|2,0,0]=4 8782 B7R1.3 CC1CCCOC1 Amb22347806 [1,0,0,1,0,0|2,0,0]=4 8783 B7R1.3 CC1CCNCC1 Amb2689655 [1,0,0,1,0,0|1,0,1]=4 8784 B7R1.3 CC1CCOCC1 Amb22043825 [1,0,0,1,0,0|0,0,1]=3 8785 B7R1.3 CC1CCOCN1 Amb32651825 [1,0,0,1,0,0|1,0,1]=4 8786 B7R1.3 CC1CCOCO1 Amb17776591 [1,0,0,1,0,0|1,0,1]=4 8787 B7R1.3 CC1CCSCC1 Amb27436849 [1,0,0,1,0,0|0,1,1]=4 8788 B7R1.3 CN1CC=CCC1 Amb22734271 [1,0,0,1,0,0|2,0,0]=4 8789 B7R1.3 CN1CCOCC1 Amb5718750 [1,0,0,1,0,0|1,0,1]=4 8790 B7R1.3 C[C@@H]1CCCNC1 Amb24461444 [1,0,0,1,0,0|2,0,0]=4 8791 B7R1.3 C[C@@H]1CCCNC1 Amb33801279 [1,0,0,1,0,0|2,0,0]=4 8792 B7R1.3 C[C@H]1CCCNC1 Amb22745835 [1,0,0,1,0,0|2,0,0]=4 8793 B7R1.3 C[C@H]1CCCNC1 Amb8387001 [1,0,0,1,0,0|2,0,0]=4 8794 B7R1.3 ClC1CC=CCC1 Amb22229749 [1,0,0,1,0,0|2,0,0]=4 8795 B7R1.3 ClC1CCOCC1 Amb6760778 [1,0,0,1,0,0|1,0,1]=4 8796 B7R1.3 FC1CCOCC1 Amb22296909 [1,0,0,1,0,0|1,0,1]=4 8797 B7R1.3 IC1CC=CCC1 Amb27446684 [1,0,0,1,0,0|2,0,0]=4 8798 B7R1.3 IC1CCOCC1 Amb2723453 [1,0,0,1,0,0|1,0,1]=4 8799 B7R1.3 NC1CC=CCC1 Amb18639038 [1,0,0,1,0,0|2,0,0]=4 8800 B7R1.3 NC1CC=CCC1 Amb19515491 [1,0,0,1,0,0|2,0,0]=4 8801 B7R1.3 NC1CCOCC1 Amb1102242 [1,0,0,1,0,0|1,0,1]=4 8802 B7R1.3 NC1CCOCC1 Amb8503255 [1,0,0,1,0,0|1,0,1]=4 8803 B7R1.3 N[C@@H]1CC=CCC1 Amb27975676 [1,0,0,1,0,0|2,0,0]=4 8804 B7R1.3 N[C@H]1CC=CCC1 Amb26609127 [1,0,0,1,0,0|2,0,0]=4 8805 B7R1.3 OC1CCOCC1 Amb2723454 [1,0,0,1,0,0|1,0,1]=4 8806 B7R1.3 OC1CCONC1 Amb33017243 [1,0,0,1,0,0|2,0,0]=4 8807 B7R1.3 SC1CC=CCC1 Amb33318612 [1,0,0,1,0,0|2,0,0]=4 8808 B7R1.3 SC1CCOCC1 Amb9472951 [1,0,0,1,0,0|1,0,1]=4 8809 B7R1.3 [NH3+]C1CCOCC1 Amb22008598 [1,0,0,1,0,0|1,0,1]=4 8810 B7R1.4 CC1C=CCC1C Amb27454828 [1,0,0,1,0,0|1,0,0]=3 8811 B7R1.4 CC1C=CCC1O Amb28324626 [1,0,0,1,0,0|2,0,0]=4 8812 B7R1.4 CC1CCCC1C Amb4019559 [1,0,0,1,0,0|1,0,1]=4 8813 B7R1.4 CC1CCNC1C Amb18277375 [1,0,0,1,0,0|1,0,1]=4 8814 B7R1.4 CC1CCNC1C Amb20623813 [1,0,0,1,0,0|1,0,1]=4 8815 B7R1.4 CC1CNCC1C Amb18121224 [1,0,0,1,0,0|2,0,0]=4 8816 B7R1.4 CC1CNCC1C Amb19149226 [1,0,0,1,0,0|2,0,0]=4 8817 B7R1.4 CC1OCCC1Br Amb25073861 [1,0,0,1,0,0|1,0,1]=4 8818 B7R1.4 CC1OCCC1Cl Amb24470094 [1,0,0,1,0,0|1,0,1]=4 8819 B7R1.4 CC1OCCC1N Amb22058722 [1,0,0,1,0,0|1,0,1]=4 8820 B7R1.4 CC1OCCC1N Amb32660981 [1,0,0,1,0,0|1,0,1]=4 8821 B7R1.4 CC1OCCC1O Amb25888399 [1,0,0,1,0,0|1,0,1]=4 8822 B7R1.4 CC1OCCC1S Amb8515792 [1,0,0,1,0,0|1,0,1]=4 8823 B7R1.4 CC1OCOC1C Amb26430935 [1,0,0,1,0,0|1,0,1]=4 8824 B7R1.4 C[C@@H]1C=CC[C@H]1C Amb25957944 [1,0,0,1,0,0|1,0,0]=3 8825 B7R1.4 C[C@@H]1C=CC[C@H]1O Amb27486253 [1,0,0,1,0,0|2,0,0]=4 8826 B7R1.4 C[C@@H]1CCC[C@H]1C Amb22227630 [1,0,0,1,0,0|1,0,1]=4 8827 B7R1.4 C[C@@H]1CCN[C@@H]1C Amb24117059 [1,0,0,1,0,0|1,0,1]=4 8828 B7R1.4 C[C@@H]1CCOC1O Amb28074771 [1,0,0,1,0,0|1,0,1]=4 8829 B7R1.4 C[C@@H]1CCO[C@H]1O Amb27857930 [1,0,0,1,0,0|1,0,1]=4 8830 B7R1.4 C[C@@H]1CNC[C@@H]1C Amb22757862 [1,0,0,1,0,0|2,0,0]=4 8831 B7R1.4 C[C@@H]1CNC[C@H]1C Amb22757861 [1,0,0,1,0,0|2,0,0]=4 8832 B7R1.4 C[C@@H]1N=CN[C@H]1C Amb28129367 [1,0,0,1,0,0|2,0,0]=4 8833 B7R1.4 C[C@@H]1NCC[C@H]1C Amb32412685 [1,0,0,1,0,0|1,0,1]=4 8834 B7R1.4 C[C@@H]1OCC[C@@H]1I Amb27962293 [1,0,0,1,0,0|1,0,1]=4 8835 B7R1.4 C[C@@H]1OCC[C@@H]1N Amb22886254 [1,0,0,1,0,0|1,0,1]=4 8836 B7R1.4 C[C@@H]1OCC[C@@H]1N Amb24629226 [1,0,0,1,0,0|1,0,1]=4 8837 B7R1.4 C[C@@H]1OCC[C@H]1I Amb27664288 [1,0,0,1,0,0|1,0,1]=4 8838 B7R1.4 C[C@@H]1OCC[C@H]1N Amb27435305 [1,0,0,1,0,0|1,0,1]=4 8839 B7R1.4 C[C@@H]1OCC[C@H]1N Amb34915721 [1,0,0,1,0,0|1,0,1]=4 8840 B7R1.4 C[C@H]1CCC[C@@H]1C Amb25286917 [1,0,0,1,0,0|1,0,1]=4 8841 B7R1.4 C[C@H]1CCC[C@H]1C Amb22230410 [1,0,0,1,0,0|1,0,1]=4 8842 B7R1.4 C[C@H]1CCN[C@H]1C Amb27879886 [1,0,0,1,0,0|1,0,1]=4 8843 B7R1.4 C[C@H]1CCO[C@H]1Cl Amb27444980 [1,0,0,1,0,0|1,0,1]=4 8844 B7R1.4 C[C@H]1CCO[C@H]1O Amb27642053 [1,0,0,1,0,0|1,0,1]=4 8845 B7R1.4 C[C@H]1OCC[C@@H]1O Amb28388631 [1,0,0,1,0,0|1,0,1]=4 8846 B7R1.4 C[C@H]1OCC[C@H]1N Amb25174385 [1,0,0,1,0,0|1,0,1]=4 8847 B7R1.5 C#CCC1CC1C Amb33144239 [1,0,0,1,0,0|1,0,1]=4 8848 B7R1.5 C=CCC1CC1O Amb26478050 [1,0,0,1,0,0|2,0,0]=4 8849 B7R1.5 C=CC[C@@H]1C[C@@H]1Cl Amb27983599 [1,0,0,1,0,0|2,0,0]=4 8850 B7R1.5 C=CC[C@@H]1C[C@@H]1O Amb28053769 [1,0,0,1,0,0|2,0,0]=4 8851 B7R1.5 CC1CC1CC#N Amb25888500 [1,0,0,1,0,0|1,0,1]=4 8852 B7R1.5 CC1CC1CC=O Amb25737156 [1,0,0,1,0,0|0,0,0]=2 8853 B7R1.5 CC1CC1CCBr Amb26055211 [1,0,0,1,0,0|1,0,1]=4 8854 B7R1.5 CC1CC1CCN Amb27835415 [1,0,0,1,0,0|1,0,1]=4 8855 B7R1.5 CC1CC1CCO Amb25026465 [1,0,0,1,0,0|0,0,1]=3 8856 B7R1.5 CC1CC1CCS Amb33143846 [1,0,0,1,0,0|0,1,1]=4 8857 B7R1.5 CC1CC1CNN Amb10610283 [1,0,0,1,0,0|2,0,0]=4 8858 B7R1.5 CC1CC1CNN Amb6246477 [1,0,0,1,0,0|2,0,0]=4 8859 B7R1.5 CC1CC1CNO Amb32954149 [1,0,0,1,0,0|1,0,0]=3 8860 B7R1.5 CC1CC1CON Amb33144974 [1,0,0,1,0,0|2,0,0]=4 8861 B7R1.5 CC1CC1N=C=O Amb9730071 [1,0,0,1,0,0|1,0,1]=4 8862 B7R1.5 CC1CC1NC=O Amb28200843 [1,0,0,1,0,0|1,0,0]=3 8863 B7R1.5 CNCC1CC1C Amb35789304 [1,0,0,1,0,0|2,0,0]=4 8864 B7R1.5 CNCC1CC1C Amb8853678 [1,0,0,1,0,0|2,0,0]=4 8865 B7R1.5 CNC[C@@H]1C[C@H]1C Amb27214669 [1,0,0,1,0,0|2,0,0]=4 8866 B7R1.5 C[C@@H]1C[C@@H]1CCBr Amb27454257 [1,0,0,1,0,0|1,0,1]=4 8867 B7R1.5 C[C@@H]1C[C@@H]1CCO Amb26012892 [1,0,0,1,0,0|0,0,1]=3 8868 B7R1.5 C[C@@H]1O[C@H]1CCO Amb27184243 [1,0,0,1,0,0|1,0,1]=4 8869 B7R1.5 C[C@H]1C[C@H]1CCCl Amb27630412 [1,0,0,1,0,0|1,0,1]=4 8870 B7R1.5 N[C@@H]1C[C@H]1CCO Amb28074110 [1,0,0,1,0,0|1,0,1]=4 8871 B7R1.5 OCCC1CC1F Amb27238848 [1,0,0,1,0,0|1,0,1]=4 8872 B7R1.5 [C-]#[N+]CC1CC1C Amb33144641 [1,0,0,1,0,0|2,0,0]=4 8873 B7R1.6 BrCCC1CCC1 Amb25930029 [1,0,0,1,0,0|1,0,1]=4 8874 B7R1.6 Br[Mg]CC1CCC1 Amb32643968 [1,0,0,1,0,0|2,0,0]=4 8875 B7R1.6 Br\C=C\C1CCC1 Amb33135163 [1,0,0,1,0,0|1,0,1]=4 8876 B7R1.6 C#CCC1CCC1 Amb33314111 [1,0,0,1,0,0|1,0,1]=4 8877 B7R1.6 C=CCC1CCC1 Amb27198597 [1,0,0,1,0,0|1,0,0]=3 8878 B7R1.6 C=CCC1CCN1 Amb25888401 [1,0,0,1,0,0|2,0,0]=4 8879 B7R1.6 C=CCC1CCN1 Amb32992120 [1,0,0,1,0,0|2,0,0]=4 8880 B7R1.6 C=CCC1CNC1 Amb23439504 [1,0,0,1,0,0|2,0,0]=4 8881 B7R1.6 C=CCN1CCC1 Amb26956297 [1,0,0,1,0,0|2,0,0]=4 8882 B7R1.6 CNCC1CCC1 Amb19373005 [1,0,0,1,0,0|2,0,0]=4 8883 B7R1.6 CNCC1CCC1 Amb9214718 [1,0,0,1,0,0|2,0,0]=4 8884 B7R1.6 ClCCC1CCC1 Amb27831996 [1,0,0,1,0,0|1,0,1]=4 8885 B7R1.6 N#CCC1CCC1 Amb9870414 [1,0,0,1,0,0|1,0,1]=4 8886 B7R1.6 NCCC1CCC1 Amb19516795 [1,0,0,1,0,0|1,0,1]=4 8887 B7R1.6 NCCC1CCC1 Amb20667967 [1,0,0,1,0,0|1,0,1]=4 8888 B7R1.6 NNCC1CCC1 Amb19893039 [1,0,0,1,0,0|2,0,0]=4 8889 B7R1.6 NNCC1CCC1 Amb6248618 [1,0,0,1,0,0|2,0,0]=4 8890 B7R1.6 NOCC1CCC1 Amb22896602 [1,0,0,1,0,0|2,0,0]=4 8891 B7R1.6 NOCC1CCC1 Amb32667096 [1,0,0,1,0,0|2,0,0]=4 8892 B7R1.6 O=C=NC1CCC1 Amb6267587 [1,0,0,1,0,0|1,0,1]=4 8893 B7R1.6 O=CC=C1CCC1 Amb27827363 [1,0,0,1,0,0|0,0,2]=4 8894 B7R1.6 O=CCC1CCC1 Amb22002603 [1,0,0,1,0,0|0,0,0]=2 8895 B7R1.6 O=CCC1CCO1 Amb26626501 [1,0,0,1,0,0|1,0,0]=3 8896 B7R1.6 O=CCC1COC1 Amb23440119 [1,0,0,1,0,0|1,0,0]=3 8897 B7R1.6 O=CCN1CCC1 Amb25831216 [1,0,0,1,0,0|1,0,0]=3 8898 B7R1.6 O=CNC1CNC1 Amb27798890 [1,0,0,1,0,0|2,0,0]=4 8899 B7R1.6 O=CNC1COC1 Amb28192194 [1,0,0,1,0,0|2,0,0]=4 8900 B7R1.6 OCCC1CCC1 Amb33543947 [1,0,0,1,0,0|0,0,1]=3 8901 B7R1.6 OCCC1CCN1 Amb25350591 [1,0,0,1,0,0|1,0,1]=4 8902 B7R1.6 OCCC1CCO1 Amb25780445 [1,0,0,1,0,0|1,0,1]=4 8903 B7R1.6 OCCC1CNC1 Amb22737370 [1,0,0,1,0,0|1,0,1]=4 8904 B7R1.6 OCCC1CNC1 Amb30869764 [1,0,0,1,0,0|1,0,1]=4 8905 B7R1.6 OCCC1COC1 Amb20671348 [1,0,0,1,0,0|1,0,1]=4 8906 B7R1.6 OCCC1CSC1 Amb24574115 [1,0,0,1,0,0|1,0,1]=4 8907 B7R1.6 OCCN1CCC1 Amb22002602 [1,0,0,1,0,0|1,0,1]=4 8908 B7R1.6 OCC[C@@H]1CCN1 Amb24479867 [1,0,0,1,0,0|1,0,1]=4 8909 B7R1.6 OCC[C@@H]1CCO1 Amb26009491 [1,0,0,1,0,0|1,0,1]=4 8910 B7R1.6 OCC[C@H]1CCO1 Amb25129832 [1,0,0,1,0,0|1,0,1]=4 8911 B7R1.6 ONCC1CCC1 Amb25888398 [1,0,0,1,0,0|1,0,0]=3 8912 B7R1.6 SCCC1CCC1 Amb24581445 [1,0,0,1,0,0|0,1,1]=4 8913 B7R1.8 C=CC1CCC1O Amb25848177 [1,0,0,1,0,0|2,0,0]=4 8914 B7R1.8 C=C[C@@H]1CC[C@@H]1O Amb27184314 [1,0,0,1,0,0|2,0,0]=4 8915 B7R1.8 C=C[C@@H]1CC[C@H]1O Amb27780489 [1,0,0,1,0,0|2,0,0]=4 8916 B7R1.8 CC1CCC1CBr Amb28076923 [1,0,0,1,0,0|1,0,1]=4 8917 B7R1.8 CC1CCC1CCl Amb28436122 [1,0,0,1,0,0|1,0,1]=4 8918 B7R1.8 CC1CCC1CI Amb27792871 [1,0,0,1,0,0|1,0,1]=4 8919 B7R1.8 CC1CCC1CN Amb23512778 [1,0,0,1,0,0|1,0,1]=4 8920 B7R1.8 CC1CCC1CO Amb23512661 [1,0,0,1,0,0|0,0,1]=3 8921 B7R1.8 CC1CCC1NO Amb27425045 [1,0,0,1,0,0|1,0,0]=3 8922 B7R1.8 CN1CCC1C=O Amb27789055 [1,0,0,1,0,0|1,0,0]=3 8923 B7R1.8 CN1CCC1CO Amb27161390 [1,0,0,1,0,0|1,0,1]=4 8924 B7R1.8 CN1CC[C@@H]1CO Amb23401423 [1,0,0,1,0,0|1,0,1]=4 8925 B7R1.8 CN1CC[C@H]1CO Amb28239653 [1,0,0,1,0,0|1,0,1]=4 8926 B7R1.8 C[C@@H]1CC[C@@H]1CBr Amb27484113 [1,0,0,1,0,0|1,0,1]=4 8927 B7R1.8 C[C@@H]1CC[C@H]1C=O Amb27841156 [1,0,0,1,0,0|0,0,0]=2 8928 B7R1.8 C[C@@H]1CC[C@H]1CBr Amb27424101 [1,0,0,1,0,0|1,0,1]=4 8929 B7R1.8 C[C@H]1CC[C@H]1CBr Amb28429571 [1,0,0,1,0,0|1,0,1]=4 8930 B7R1.8 C[C@H]1CC[C@H]1CCl Amb28387678 [1,0,0,1,0,0|1,0,1]=4 8931 B7R1.8 C[C@H]1CC[C@H]1CO Amb27196739 [1,0,0,1,0,0|0,0,1]=3 8932 B7R1.8 N[C@H]1CC[C@H]1CO Amb25327109 [1,0,0,1,0,0|1,0,1]=4 8933 B7R1.8 O=CC1CCC1F Amb32943810 [1,0,0,1,0,0|1,0,0]=3 8934 B7R1.8 OCC1CCC1F Amb32943809 [1,0,0,1,0,0|1,0,1]=4 8935 B7R1.8 OCC1CCC1O Amb26956761 [1,0,0,1,0,0|1,0,1]=4 8936 B7R1.8 OC[C@@H]1CC[C@H]1O Amb34160319 [1,0,0,1,0,0|1,0,1]=4 8937 B7R1.8 OC[C@H]1CC[C@H]1O Amb25662759 [1,0,0,1,0,0|1,0,1]=4 8938 B7R1.9 C#C[C@@H]1C[C@H]1C=O Amb28131414 [1,0,0,1,0,0|0,0,2]=4 8939 B7R1.9 C=C[C@@H]1C[C@H]1CO Amb27481145 [1,0,0,1,0,0|2,0,0]=4 8940 B7R1.9 C=C[C@H]1C[C@H]1CBr Amb27424762 [1,0,0,1,0,0|2,0,0]=4 8941 B7R1.9 CCC1CC1C#N Amb28284190 [1,0,0,1,0,0|1,0,1]=4 8942 B7R1.9 CCC1CC1CBr Amb28050452 [1,0,0,1,0,0|1,0,1]=4 8943 B7R1.9 CCC1CC1CC Amb27445028 [1,0,0,1,0,0|1,0,1]=4 8944 B7R1.9 CCC1CC1CN Amb18963643 [1,0,0,1,0,0|1,0,1]=4 8945 B7R1.9 CCC1CC1CN Amb32662776 [1,0,0,1,0,0|1,0,1]=4 8946 B7R1.9 CC[C@@H]1C[C@@H]1C=O Amb28142393 [1,0,0,1,0,0|0,0,0]=2 8947 B7R1.9 CC[C@@H]1C[C@@H]1CN Amb34916256 [1,0,0,1,0,0|1,0,1]=4 8948 B7R1.9 CC[C@@H]1C[C@@H]1CO Amb24519658 [1,0,0,1,0,0|0,0,1]=3 8949 B7R1.9 CC[C@@H]1C[C@H]1C#N Amb28284782 [1,0,0,1,0,0|1,0,1]=4 8950 B7R1.9 CC[C@@H]1C[C@H]1CBr Amb24545997 [1,0,0,1,0,0|1,0,1]=4 8951 B7R1.9 CC[C@@H]1C[C@H]1CCl Amb28284868 [1,0,0,1,0,0|1,0,1]=4 8952 B7R1.9 CC[C@@H]1C[C@H]1CN Amb26431153 [1,0,0,1,0,0|1,0,1]=4 8953 B7R1.9 CC[C@@H]1C[C@H]1CN Amb28920814 [1,0,0,1,0,0|1,0,1]=4 8954 B7R1.9 CC[C@@H]1C[C@H]1CO Amb24586149 [1,0,0,1,0,0|0,0,1]=3 8955 B7R1.9 CC[C@@H]1O[C@@H]1C=O Amb27640580 [1,0,0,1,0,0|1,0,0]=3 8956 B7R1.9 CC[C@@H]1O[C@@H]1CO Amb28198173 [1,0,0,1,0,0|1,0,1]=4 8957 B7R1.9 CC[C@H]1C[C@H]1CC Amb27391419 [1,0,0,1,0,0|1,0,1]=4 8958 B7R1.9 CC[S+]1CC1CO Amb27970929 [1,0,0,1,0,0|1,0,1]=4 8959 B7R1.9 CNC1CC1CO Amb27838268 [1,0,0,1,0,0|1,0,1]=4 8960 B7R1.9 COC1CC1C=O Amb35720824 [1,0,0,1,0,0|1,0,0]=3 8961 B7R1.9 COC1CC1CO Amb28137240 [1,0,0,1,0,0|1,0,1]=4 8962 B7R1.9 CO[C@H]1C[C@@H]1CO Amb27632061 [1,0,0,1,0,0|1,0,1]=4 8963 B7R1.9 N#CC1CC1C=O Amb24378434 [1,0,0,1,0,0|1,0,1]=4 8964 B7R1.9 NCC1CC1CO Amb22499310 [1,0,0,1,0,0|1,0,1]=4 8965 B7R1.9 NC[C@@H]1C[C@@H]1CO Amb22746714 [1,0,0,1,0,0|1,0,1]=4 8966 B7R1.9 NC[C@@H]1C[C@H]1CO Amb22746972 [1,0,0,1,0,0|1,0,1]=4 8967 B7R1.9 NC[C@H]1C[C@@H]1CO Amb22224716 [1,0,0,1,0,0|1,0,1]=4 8968 B7R1.9 NC[C@H]1C[C@H]1CO Amb25217566 [1,0,0,1,0,0|1,0,1]=4 8969 B7R1.9 O=CC1CC1C=O Amb27166180 [1,0,0,1,0,0|1,0,1]=4 8970 B7R1.9 O=C[C@H]1C[C@@H]1C=O Amb28057483 [1,0,0,1,0,0|1,0,1]=4 8971 B7R1.9 OCC1CC1CBr Amb27831384 [1,0,0,1,0,0|1,0,1]=4 8972 B7R1.9 OCC1CC1CCl Amb27965811 [1,0,0,1,0,0|1,0,1]=4 8973 B7R1.9 OCC1CC1CO Amb27172961 [1,0,0,1,0,0|1,0,1]=4 8974 B7R1.9 OC[C@H]1C[C@H]1CO Amb28193489 [1,0,0,1,0,0|1,0,1]=4 8975 B7R1.10 C#CC1CC(=O)C1 Amb27874486 [1,0,0,1,0,0|0,0,2]=4 8976 B7R1.10 C=C1CC(CBr)C1 Amb24365342 [1,0,0,1,0,0|2,0,0]=4 8977 B7R1.10 C=C1CC(CCl)C1 Amb33804034 [1,0,0,1,0,0|2,0,0]=4 8978 B7R1.10 C=C1CC(CN)C1 Amb10071401 [1,0,0,1,0,0|2,0,0]=4 8979 B7R1.10 C=C1CC(CN)C1 Amb10976021 [1,0,0,1,0,0|2,0,0]=4 8980 B7R1.10 C=C1CC(CO)C1 Amb25854323 [1,0,0,1,0,0|2,0,0]=4 8981 B7R1.10 C=C1CC(NC)C1 Amb16230428 [1,0,0,1,0,0|2,0,0]=4 8982 B7R1.10 C=C1CC(NC)C1 Amb33734454 [1,0,0,1,0,0|2,0,0]=4 8983 B7R1.10 C=CC1CC(=O)C1 Amb26409138 [1,0,0,1,0,0|0,0,2]=4 8984 B7R1.10 CCC1CC(=O)C1 Amb24406738 [1,0,0,1,0,0|0,0,0]=2 8985 B7R1.10 CCC1CC(N)C1 Amb26430936 [1,0,0,1,0,0|1,0,1]=4 8986 B7R1.10 CCC1CN(N)C1 Amb27493542 [1,0,0,1,0,0|2,0,0]=4 8987 B7R1.10 CCN1CC(O)C1 Amb19516884 [1,0,0,1,0,0|1,0,1]=4 8988 B7R1.10 CCN1CC(O)C1 Amb21960744 [1,0,0,1,0,0|1,0,1]=4 8989 B7R1.10 CNC1CC(O)C1 Amb19149003 [1,0,0,1,0,0|1,0,1]=4 8990 B7R1.10 CNC1CC(O)C1 Amb20623567 [1,0,0,1,0,0|1,0,1]=4 8991 B7R1.10 CNC1CS(=O)C1 Amb32794923 [1,0,0,1,0,0|2,0,0]=4 8992 B7R1.10 CN[C@H]1C[C@@H](O)C1 Amb23440266 [1,0,0,1,0,0|1,0,1]=4 8993 B7R1.10 CN[C@H]1C[C@H](O)C1 Amb23440035 [1,0,0,1,0,0|1,0,1]=4 8994 B7R1.10 CN[C@H]1C[C@H](O)C1 Amb25173769 [1,0,0,1,0,0|1,0,1]=4 8995 B7R1.10 COC1CC(=O)C1 Amb22754340 [1,0,0,1,0,0|1,0,0]=3 8996 B7R1.10 COC1CC(=O)N1 Amb27802279 [1,0,0,1,0,0|2,0,0]=4 8997 B7R1.10 COC1CC(O)C1 Amb26975414 [1,0,0,1,0,0|1,0,1]=4 8998 B7R1.10 CO[C@H]1C[C@@H](O)C1 Amb26045464 [1,0,0,1,0,0|1,0,1]=4 8999 B7R1.10 CO[C@H]1C[C@H](O)C1 Amb26642540 [1,0,0,1,0,0|1,0,1]=4 9000 B7R1.10 CSC1CC(=O)C1 Amb32655823 [1,0,0,1,0,0|1,0,0]=3 9001 B7R1.10 CSC1CC(=O)N1 Amb25265230 [1,0,0,1,0,0|2,0,0]=4 9002 B7R1.10 CSC1CC(O)C1 Amb24581791 [1,0,0,1,0,0|1,0,1]=4 9003 B7R1.10 CS[C@@H]1CC(=O)N1 Amb27981333 [1,0,0,1,0,0|2,0,0]=4 9004 B7R1.10 CS[C@H]1C[C@@H](O)C1 Amb32660479 [1,0,0,1,0,0|1,0,1]=4 9005 B7R1.10 N#CC1CC(=O)C1 Amb10603718 [1,0,0,1,0,0|1,0,1]=4 9006 B7R1.10 NCC1CC(=O)C1 Amb18251063 [1,0,0,1,0,0|1,0,0]=3 9007 B7R1.10 NCC1CC(=O)C1 Amb22406094 [1,0,0,1,0,0|1,0,0]=3 9008 B7R1.10 NCC1CC(=O)N1 Amb25230632 [1,0,0,1,0,0|2,0,0]=4 9009 B7R1.10 NCC1CC(O)C1 Amb21962033 [1,0,0,1,0,0|1,0,1]=4 9010 B7R1.10 NCC1CC(O)C1 Amb22405901 [1,0,0,1,0,0|1,0,1]=4 9011 B7R1.10 NC[C@H]1C[C@@H](O)C1 Amb22831753 [1,0,0,1,0,0|1,0,1]=4 9012 B7R1.10 NC[C@H]1C[C@@H](O)C1 Amb22899743 [1,0,0,1,0,0|1,0,1]=4 9013 B7R1.10 NC[C@H]1C[C@H](O)C1 Amb22899712 [1,0,0,1,0,0|1,0,1]=4 9014 B7R1.10 NC[C@H]1C[C@H](O)C1 Amb22899737 [1,0,0,1,0,0|1,0,1]=4 9015 B7R1.10 O=C1CC(CBr)C1 Amb20671344 [1,0,0,1,0,0|1,0,0]=3 9016 B7R1.10 O=C1CC(CBr)O1 Amb26981027 [1,0,0,1,0,0|2,0,0]=4 9017 B7R1.10 O=C1CC(CCl)C1 Amb10610581 [1,0,0,1,0,0|1,0,0]=3 9018 B7R1.10 O=C1CC(CCl)O1 Amb28322279 [1,0,0,1,0,0|2,0,0]=4 9019 B7R1.10 O=C1CC(CF)C1 Amb26416198 [1,0,0,1,0,0|1,0,0]=3 9020 B7R1.10 O=C1CC(CI)N1 Amb27838210 [1,0,0,1,0,0|2,0,0]=4 9021 B7R1.10 O=C1CC(CO)C1 Amb16231082 [1,0,0,1,0,0|1,0,0]=3 9022 B7R1.10 O=C1CC(CO)N1 Amb22388379 [1,0,0,1,0,0|2,0,0]=4 9023 B7R1.10 O=C1C[C@H](CO)N1 Amb26887642 [1,0,0,1,0,0|2,0,0]=4 9024 B7R1.10 OC1CC(CBr)C1 Amb25986866 [1,0,0,1,0,0|1,0,1]=4 9025 B7R1.10 OC1CC(CF)C1 Amb34138419 [1,0,0,1,0,0|1,0,1]=4 9026 B7R1.10 OCC1CC(O)C1 Amb22284484 [1,0,0,1,0,0|1,0,1]=4 9027 B7R1.10 OC[C@H]1C[C@H](O)C1 Amb27490798 [1,0,0,1,0,0|1,0,1]=4 9028 B7R1.10 O[C@H]1C[C@@H](CBr)C1 Amb27850666 [1,0,0,1,0,0|1,0,1]=4 9029 B7R1.10 O[C@H]1C[C@@H](CF)C1 Amb34136579 [1,0,0,1,0,0|1,0,1]=4 9030 B7R1.10 O[C@H]1C[C@H](CBr)C1 Amb34164797 [1,0,0,1,0,0|1,0,1]=4 9031 B7R1.11 C=C[C@@H]1[C@@H](C)[C@H]1Br Amb27478033 [1,0,0,1,0,0|2,0,0]=4 9032 B7R1.11 CC1C(C)C1CO Amb27219527 [1,0,0,1,0,0|0,0,1]=3 9033 B7R1.11 CC1C(Cl)C1C=O Amb26552434 [1,0,0,1,0,0|1,0,0]=3 9034 B7R1.11 C[C@@H]1C(C=O)[C@@H]1C Amb27215367 [1,0,0,1,0,0|0,0,0]=2 9035 B7R1.15 CC1=C(C)C(=O)C1 Amb27226738 [1,0,0,1,0,0|0,0,2]=4 9036 B7R1.15 CC1C(=O)CC1=O Amb24364046 [1,0,0,1,0,0|1,0,1]=4 9037 B7R1.15 CC1C(=O)CC1O Amb28423178 [1,0,0,1,0,0|1,0,0]=3 9038 B7R1.15 CC1CC(=O)C1C Amb33551302 [1,0,0,1,0,0|0,0,0]=2 9039 B7R1.15 CC1CC(O)C1C Amb28050458 [1,0,0,1,0,0|0,0,1]=3 9040 B7R1.15 CC1CC(S)C1C Amb24718624 [1,0,0,1,0,0|0,1,1]=4 9041 B7R1.15 CC1C[C@@H](O)[C@H]1O Amb28345325 [1,0,0,1,0,0|1,0,1]=4 9042 B7R1.15 CC1NC(=O)C1C Amb22364651 [1,0,0,1,0,0|1,0,0]=3 9043 B7R1.15 CC1NC(=O)C1N Amb26077932 [1,0,0,1,0,0|2,0,0]=4 9044 B7R1.15 C[C@@H]1C(=O)C[C@H]1C Amb27865634 [1,0,0,1,0,0|0,0,0]=2 9045 B7R1.15 C[C@@H]1NC(=O)[C@H]1Br Amb28051851 [1,0,0,1,0,0|2,0,0]=4 9046 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Amb22388492 [1,0,0,1,0,0|2,0,0]=4 9047 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Amb22757240 [1,0,0,1,0,0|2,0,0]=4 9048 B7R1.15 C[C@H]1CC(=O)[C@@H]1C Amb27433516 [1,0,0,1,0,0|0,0,0]=2 9049 B7R1.15 C[C@H]1CC(=O)[C@H]1C Amb27788507 [1,0,0,1,0,0|0,0,0]=2 9050 B7R1.15 C[C@H]1OC(=O)[C@H]1N Amb27629736 [1,0,0,1,0,0|2,0,0]=4 9051 B7R1.21 C#CCC1(C)CC1 Amb33312933 [1,0,0,1,0,0|1,0,1]=4 9052 B7R1.21 C=CCC1(N)CC1 Amb24589425 [1,0,0,1,0,0|2,0,0]=4 9053 B7R1.21 C=CCC1(N)CC1 Amb32410229 [1,0,0,1,0,0|2,0,0]=4 9054 B7R1.21 CC1(CC=O)CC1 Amb27267081 [1,0,0,1,0,0|0,0,0]=2 9055 B7R1.21 CC1(CC=O)N=N1 Amb28401427 [1,0,0,1,0,0|2,0,0]=4 9056 B7R1.21 CC1(CCBr)CC1 Amb25936379 [1,0,0,1,0,0|1,0,1]=4 9057 B7R1.21 CC1(CCCl)CC1 Amb25934723 [1,0,0,1,0,0|1,0,1]=4 9058 B7R1.21 CC1(CCN)CC1 Amb18203037 [1,0,0,1,0,0|1,0,1]=4 9059 B7R1.21 CC1(CCN)CC1 Amb33421913 [1,0,0,1,0,0|1,0,1]=4 9060 B7R1.21 CC1(CCO)CC1 Amb23538727 [1,0,0,1,0,0|0,0,1]=3 9061 B7R1.21 CC1(CCS)CC1 Amb33312234 [1,0,0,1,0,0|0,1,1]=4 9062 B7R1.21 CC1(CNN)CC1 Amb25888508 [1,0,0,1,0,0|2,0,0]=4 9063 B7R1.21 CC1(CNO)CC1 Amb33195511 [1,0,0,1,0,0|1,0,0]=3 9064 B7R1.21 CC1(CON)CC1 Amb33361270 [1,0,0,1,0,0|2,0,0]=4 9065 B7R1.21 CC1(N=C=O)CC1 Amb25736841 [1,0,0,1,0,0|1,0,1]=4 9066 B7R1.21 CC1(NC=O)CC1 Amb27837382 [1,0,0,1,0,0|1,0,0]=3 9067 B7R1.21 CC1(\C=C\Br)CC1 Amb33135516 [1,0,0,1,0,0|1,0,1]=4 9068 B7R1.21 CNCC1(C)CC1 Amb17605574 [1,0,0,1,0,0|2,0,0]=4 9069 B7R1.21 NC1(CCO)CC1 Amb28827642 [1,0,0,1,0,0|1,0,1]=4 9070 B7R1.21 NC1(CCO)CC1 Amb33532727 [1,0,0,1,0,0|1,0,1]=4 9071 B7R1.21 OCCC1(O)CC1 Amb22292375 [1,0,0,1,0,0|1,0,1]=4 9072 B7R1.21 [C-]#[N+]CC1(C)CC1 Amb33312962 [1,0,0,1,0,0|2,0,0]=4 9073 B7R1.22 CCC(C)C1CC1 Amb22231433 [1,0,0,1,0,0|1,0,1]=4 9074 B7R1.22 CCC(C)C1CO1 Amb25975905 [1,0,0,1,0,0|0,0,1]=3 9075 B7R1.22 CCC(C)[C@@H]1CO1 Amb33318427 [1,0,0,1,0,0|0,0,1]=3 9076 B7R1.22 CCC(C)[C@H]1CO1 Amb33318428 [1,0,0,1,0,0|0,0,1]=3 9077 B7R1.22 CC[C@@H](O)[C@H]1CO1 Amb28194229 [1,0,0,1,0,0|1,0,1]=4 9078 B7R1.22 CC[C@H](O)C1CO1 Amb27197220 [1,0,0,1,0,0|1,0,1]=4 9079 B7R1.22 CC[C@H](O)[C@H]1CO1 Amb27853540 [1,0,0,1,0,0|1,0,1]=4 9080 B7R1.22 COC(C)C1CO1 Amb25225530 [1,0,0,1,0,0|1,0,1]=4 9081 B7R1.25 CC1(CBr)CCO1 Amb22736451 [1,0,0,1,0,0|1,0,1]=4 9082 B7R1.25 CC1(CCl)CCO1 Amb22736510 [1,0,0,1,0,0|1,0,1]=4 9083 B7R1.25 CC1(CI)CCO1 Amb22736694 [1,0,0,1,0,0|1,0,1]=4 9084 B7R1.25 CC1(CN)CCO1 Amb26891092 [1,0,0,1,0,0|1,0,1]=4 9085 B7R1.25 CC1(CO)CCO1 Amb2715544 [1,0,0,1,0,0|1,0,1]=4 9086 B7R1.25 CCC1(C)CNC1 Amb25265414 [1,0,0,1,0,0|2,0,0]=4 9087 B7R1.25 CCC1(C)CNC1 Amb32653609 [1,0,0,1,0,0|2,0,0]=4 9088 B7R1.25 CCC1(C)COC1 Amb28050164 [1,0,0,1,0,0|2,0,0]=4 9089 B7R1.27 CCC1(C)CC1Br Amb27838282 [1,0,0,1,0,0|1,0,1]=4 9090 B7R1.27 CCC1(C)CC1N Amb18280088 [1,0,0,1,0,0|1,0,1]=4 9091 B7R1.27 CCC1(C)CC1N Amb32651658 [1,0,0,1,0,0|1,0,1]=4 9092 B7R1.27 CC[C@@]1(C)C[C@H]1Br Amb25110633 [1,0,0,1,0,0|1,0,1]=4 9093 B7R1.12 C=C1CC1C(=O)O Amb9774969 [1,0,0,1,0,0|0,0,2]=4 9094 B7R1.12 CC(=O)C1CC1C Amb25720437 [1,0,0,1,0,0|1,0,0]=3 9095 B7R1.12 CC(=O)C1OC1C Amb25920285 [1,0,0,1,0,0|2,0,0]=4 9096 B7R1.12 CC(=O)[C@@H]1C[C@H]1C Amb27262976 [1,0,0,1,0,0|1,0,0]=3 9097 B7R1.12 CC(=O)[C@@H]1OC1C Amb27165592 [1,0,0,1,0,0|2,0,0]=4 9098 B7R1.12 CC(=O)[C@H]1C[C@@H]1C Amb27493483 [1,0,0,1,0,0|1,0,0]=3 9099 B7R1.12 CC(=O)[C@H]1O[C@H]1C Amb28052513 [1,0,0,1,0,0|2,0,0]=4 9100 B7R1.12 CC(=O)[C@H]1S[C@@H]1C Amb27231676 [1,0,0,1,0,0|2,0,0]=4 9101 B7R1.12 CC(C)C1ON1C Amb24479796 [1,0,0,1,0,0|2,0,0]=4 9102 B7R1.12 CC(C)[C@@H]1C[C@@H]1O Amb27804487 [1,0,0,1,0,0|1,0,1]=4 9103 B7R1.12 CC(C)[C@@H]1C[C@H]1O Amb27443199 [1,0,0,1,0,0|1,0,1]=4 9104 B7R1.12 CC(C)[C@@H]1O[C@H]1Cl Amb28422732 [1,0,0,1,0,0|1,0,1]=4 9105 B7R1.12 CC(O)[C@H]1C[C@@H]1C Amb27443623 [1,0,0,1,0,0|1,0,1]=4 9106 B7R1.12 CC1=CC1C(=O)O Amb27157805 [1,0,0,1,0,0|0,0,2]=4 9107 B7R1.12 CC1CC1C(=N)N Amb25139920 [1,0,0,1,0,0|2,0,0]=4 9108 B7R1.12 CC1CC1C(=N)N Amb32667599 [1,0,0,1,0,0|2,0,0]=4 9109 B7R1.12 CC1CC1C(=O)Cl Amb33528387 [1,0,0,1,0,0|1,0,0]=3 9110 B7R1.12 CC1CC1C(=O)O Amb9703126 [1,0,0,1,0,0|0,0,0]=2 9111 B7R1.12 CC1CC1C(N)=O Amb8858378 [1,0,0,1,0,0|1,0,0]=3 9112 B7R1.12 CC1CC1C(N)=S Amb25302556 [1,0,0,1,0,0|1,1,0]=4 9113 B7R1.12 CC1CC1[C@@H](C)O Amb24683424 [1,0,0,1,0,0|1,0,1]=4 9114 B7R1.12 CC1CC1[C@H](C)O Amb25271040 [1,0,0,1,0,0|1,0,1]=4 9115 B7R1.12 CC1OC1C(=O)O Amb17593088 [1,0,0,1,0,0|1,0,0]=3 9116 B7R1.12 CC1SC1C(=O)O Amb27195238 [1,0,0,1,0,0|1,0,0]=3 9117 B7R1.12 CC1S[C@H]1C(=O)O Amb27399596 [1,0,0,1,0,0|1,0,0]=3 9118 B7R1.12 C[C@@H]1C[C@@H]1B(O)O Amb24329037 [1,0,0,1,0,0|1,0,1]=4 9119 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O Amb25851678 [1,0,0,1,0,0|0,0,0]=2 9120 B7R1.12 C[C@@H]1C[C@H]1C(=N)N Amb27252052 [1,0,0,1,0,0|2,0,0]=4 9121 B7R1.12 C[C@@H]1C[C@H]1C(=N)N Amb33483860 [1,0,0,1,0,0|2,0,0]=4 9122 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl Amb13883573 [1,0,0,1,0,0|1,0,0]=3 9123 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Amb22735875 [1,0,0,1,0,0|0,0,0]=2 9124 B7R1.12 C[C@@H]1C[C@H]1C(N)=O Amb27201134 [1,0,0,1,0,0|1,0,0]=3 9125 B7R1.12 C[C@@H]1N[C@H]1C(=O)O Amb24120621 [1,0,0,1,0,0|1,0,0]=3 9126 B7R1.12 C[C@@H]1O[C@@H]1C(=O)O Amb28347451 [1,0,0,1,0,0|1,0,0]=3 9127 B7R1.12 C[C@@H]1O[C@H]1C(=O)O Amb25738149 [1,0,0,1,0,0|1,0,0]=3 9128 B7R1.12 C[C@H](O)[C@@H]1C[C@H]1C Amb28065317 [1,0,0,1,0,0|1,0,1]=4 9129 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Amb22735974 [1,0,0,1,0,0|0,0,0]=2 9130 B7R1.12 C[C@H]1C[C@@H]1C(N)=O Amb27213992 [1,0,0,1,0,0|1,0,0]=3 9131 B7R1.12 C[C@H]1C[C@H]1B(O)O Amb24515113 [1,0,0,1,0,0|1,0,1]=4 9132 B7R1.12 C[C@H]1C[C@H]1C(=O)O Amb16233326 [1,0,0,1,0,0|0,0,0]=2 9133 B7R1.12 C[C@H]1O[C@@H]1C(=O)O Amb27420167 [1,0,0,1,0,0|1,0,0]=3 9134 B7R1.12 C[C@H]1O[C@H]1C(=O)O Amb27237050 [1,0,0,1,0,0|1,0,0]=3 9135 B7R1.12 NC(=O)C1CC1Br Amb27838278 [1,0,0,1,0,0|2,0,0]=4 9136 B7R1.12 NC(=O)C1CC1F Amb26026786 [1,0,0,1,0,0|2,0,0]=4 9137 B7R1.12 NC(=O)C1CC1N Amb18279694 [1,0,0,1,0,0|2,0,0]=4 9138 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F Amb27758752 [1,0,0,1,0,0|2,0,0]=4 9139 B7R1.12 NC(=O)[C@@H]1C[C@H]1F Amb27403700 [1,0,0,1,0,0|2,0,0]=4 9140 B7R1.12 NC1CC1C(=O)O Amb7762823 [1,0,0,1,0,0|1,0,0]=3 9141 B7R1.12 N[C@@H]1C[C@@H]1C(=O)O Amb25708637 [1,0,0,1,0,0|1,0,0]=3 9142 B7R1.12 N[C@H]1C[C@H]1C(=O)O Amb27630656 [1,0,0,1,0,0|1,0,0]=3 9143 B7R1.12 O=C(Cl)C1CC1Cl Amb27865442 [1,0,0,1,0,0|2,0,0]=4 9144 B7R1.12 O=C(Cl)C1CC1F Amb8389490 [1,0,0,1,0,0|2,0,0]=4 9145 B7R1.12 O=C(Cl)[C@@H]1C[C@@H]1Cl Amb28291528 [1,0,0,1,0,0|2,0,0]=4 9146 B7R1.12 O=C(Cl)[C@H]1C[C@@H]1F Amb22224871 [1,0,0,1,0,0|2,0,0]=4 9147 B7R1.12 O=C(O)C1CC1Br Amb27760446 [1,0,0,1,0,0|1,0,0]=3 9148 B7R1.12 O=C(O)C1CC1Cl Amb28289730 [1,0,0,1,0,0|1,0,0]=3 9149 B7R1.12 O=C(O)C1CC1F Amb22490547 [1,0,0,1,0,0|1,0,0]=3 9150 B7R1.12 O=C(O)C1CC1I Amb26047069 [1,0,0,1,0,0|1,0,0]=3 9151 B7R1.12 O=C(O)C1CC1S Amb20246988 [1,0,0,1,0,0|1,0,0]=3 9152 B7R1.12 O=C(O)[C@@H]1CC1I Amb27616342 [1,0,0,1,0,0|1,0,0]=3 9153 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br Amb27232903 [1,0,0,1,0,0|1,0,0]=3 9154 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb22737600 [1,0,0,1,0,0|1,0,0]=3 9155 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F Amb33716967 [1,0,0,1,0,0|1,0,0]=3 9156 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I Amb22756600 [1,0,0,1,0,0|1,0,0]=3 9157 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br Amb24570997 [1,0,0,1,0,0|1,0,0]=3 9158 B7R1.12 O=C(O)[C@@H]1C[C@H]1Cl Amb28252777 [1,0,0,1,0,0|1,0,0]=3 9159 B7R1.12 O=C(O)[C@@H]1C[C@H]1F Amb22737604 [1,0,0,1,0,0|1,0,0]=3 9160 B7R1.12 O=C(O)[C@@H]1C[C@H]1I Amb26636211 [1,0,0,1,0,0|1,0,0]=3 9161 B7R1.12 O=C(O)[C@H]1C[C@@H]1Cl Amb27655606 [1,0,0,1,0,0|1,0,0]=3 9162 B7R1.12 O=C(O)[C@H]1C[C@@H]1F Amb22736113 [1,0,0,1,0,0|1,0,0]=3 9163 B7R1.12 O=C(O)[C@H]1C[C@@H]1I Amb27968689 [1,0,0,1,0,0|1,0,0]=3 9164 B7R1.12 O=C(O)[C@H]1C[C@H]1F Amb22738580 [1,0,0,1,0,0|1,0,0]=3 9165 B7R1.12 O=C(O)[C@H]1C[C@H]1I Amb22736654 [1,0,0,1,0,0|1,0,0]=3 9166 B7R1.16 C=C1CC(C)(C)C1 Amb27984115 [1,0,0,1,0,0|2,0,0]=4 9167 B7R1.16 CC1(C)CC(=O)C1 Amb24117921 [1,0,0,1,0,0|1,0,0]=3 9168 B7R1.16 CC1(C)CC(=O)N1 Amb19515692 [1,0,0,1,0,0|1,0,0]=3 9169 B7R1.16 CC1(C)CC(=O)O1 Amb17940813 [1,0,0,1,0,0|0,0,0]=2 9170 B7R1.16 CC1(C)CC(O)C1 Amb33550904 [1,0,0,1,0,0|1,0,1]=4 9171 B7R1.16 CC1(N)CC(=O)C1 Amb31308099 [1,0,0,1,0,0|2,0,0]=4 9172 B7R1.16 CC1(N)CC(=O)C1 Amb32675476 [1,0,0,1,0,0|2,0,0]=4 9173 B7R1.16 O=C1CC(Cl)(Cl)O1 Amb28120599 [1,0,0,1,0,0|2,0,0]=4 9174 B7R1.20 C=C(C)CC1CC1 Amb27207160 [1,0,0,1,0,0|2,0,0]=4 9175 B7R1.20 CC(=O)CC1CC1 Amb10603417 [1,0,0,1,0,0|1,0,0]=3 9176 B7R1.20 CC(=O)NC1CC1 Amb3366973 [1,0,0,1,0,0|2,0,0]=4 9177 B7R1.20 CC(C)CC1CO1 Amb24631080 [1,0,0,1,0,0|1,0,1]=4 9178 B7R1.20 CC(C)C[C@@H]1CO1 Amb33318768 [1,0,0,1,0,0|1,0,1]=4 9179 B7R1.20 CC(C)C[C@H]1CO1 Amb33374124 [1,0,0,1,0,0|1,0,1]=4 9180 B7R1.20 CC(O)CC1CC1 Amb26536953 [1,0,0,1,0,0|1,0,1]=4 9181 B7R1.20 CN(O)CC1CC1 Amb33429117 [1,0,0,1,0,0|2,0,0]=4 9182 B7R1.20 C[C@@H](O)CC1CC1 Amb22896775 [1,0,0,1,0,0|1,0,1]=4 9183 B7R1.20 C[C@H](O)CC1CC1 Amb28050168 [1,0,0,1,0,0|1,0,1]=4 9184 B7R1.20 N=C(N)CC1CC1 Amb21964664 [1,0,0,1,0,0|2,0,0]=4 9185 B7R1.20 N=C(N)CC1CC1 Amb9423215 [1,0,0,1,0,0|2,0,0]=4 9186 B7R1.20 NC(=O)CC1CC1 Amb33552967 [1,0,0,1,0,0|1,0,0]=3 9187 B7R1.20 NC(=O)NC1CC1 Amb1152776 [1,0,0,1,0,0|2,0,0]=4 9188 B7R1.20 NC(=O)OC1CC1 Amb27265645 [1,0,0,1,0,0|2,0,0]=4 9189 B7R1.20 NC(=S)CC1CC1 Amb9423151 [1,0,0,1,0,0|1,1,0]=4 9190 B7R1.20 NS(=O)CC1CC1 Amb32720358 [1,0,0,1,0,0|2,0,0]=4 9191 B7R1.20 O=C(Cl)CC1CC1 Amb18283320 [1,0,0,1,0,0|1,0,0]=3 9192 B7R1.20 O=C(Cl)NC1CC1 Amb27848787 [1,0,0,1,0,0|2,0,0]=4 9193 B7R1.20 O=C(Cl)OC1CC1 Amb25251789 [1,0,0,1,0,0|2,0,0]=4 9194 B7R1.20 O=C(O)C=C1CC1 Amb8392543 [1,0,0,1,0,0|0,0,2]=4 9195 B7R1.20 O=C(O)CC1CC1 Amb2686657 [1,0,0,1,0,0|0,0,0]=2 9196 B7R1.20 O=C(O)CC1CO1 Amb25244347 [1,0,0,1,0,0|1,0,0]=3 9197 B7R1.20 O=C(O)C[C@@H]1CO1 Amb27253415 [1,0,0,1,0,0|1,0,0]=3 9198 B7R1.20 O=C(O)C[C@H]1CO1 Amb26068484 [1,0,0,1,0,0|1,0,0]=3 9199 B7R1.20 O=S(Cl)CC1CC1 Amb25914604 [1,0,0,1,0,0|2,0,0]=4 9200 B7R1.20 O=S([O-])CC1CC1 Amb27483189 [1,0,0,1,0,0|1,0,1]=4 9201 B7R1.7 CCCCC1CO1 Amb17771532 [1,0,0,1,0,0|1,0,1]=4 9202 B7R1.7 CCCC[C@@H]1CO1 Amb22336297 [1,0,0,1,0,0|1,0,1]=4 9203 B7R1.7 CCCC[C@H]1CO1 Amb10982587 [1,0,0,1,0,0|1,0,1]=4 9204 B7R1.14 CC1(O)CCCC1 Amb4037281 [1,0,0,1,0,0|1,0,1]=4 9205 B7R1.14 N=S1(=O)CCCC1 Amb22493673 [1,0,0,1,0,0|2,0,0]=4 9206 B7R1.14 O=S1(=O)CCCC1 Amb2973382 [1,0,0,1,0,0|1,0,1]=4 9207 B7R1.17 CC1CCS1(=O)=O Amb22364950 [1,0,0,1,0,0|1,0,1]=4 9208 B7R1.17 C[C@H]1CCS1(=O)=O Amb27661382 [1,0,0,1,0,0|1,0,1]=4 9209 B7R1.18 C=C(C)C1CCC1 Amb25662691 [1,0,0,1,0,0|2,0,0]=4 9210 B7R1.18 C=C(F)C1CCC1 Amb27403200 [1,0,0,1,0,0|2,0,0]=4 9211 B7R1.18 CC(=O)C1CCC1 Amb4037098 [1,0,0,1,0,0|1,0,0]=3 9212 B7R1.18 CC(=O)C1CCN1 Amb28142364 [1,0,0,1,0,0|2,0,0]=4 9213 B7R1.18 CC(=O)C1CNC1 Amb23400009 [1,0,0,1,0,0|2,0,0]=4 9214 B7R1.18 CC(=O)C1CNC1 Amb23401240 [1,0,0,1,0,0|2,0,0]=4 9215 B7R1.18 CC(=O)C1CNC1 Amb33473586 [1,0,0,1,0,0|2,0,0]=4 9216 B7R1.18 CC(=O)C1COC1 Amb27397483 [1,0,0,1,0,0|2,0,0]=4 9217 B7R1.18 CC(=O)C1CSC1 Amb29849423 [1,0,0,1,0,0|2,0,0]=4 9218 B7R1.18 CC(=O)N1CCC1 Amb22008358 [1,0,0,1,0,0|2,0,0]=4 9219 B7R1.18 CC(O)C1CCC1 Amb10603414 [1,0,0,1,0,0|1,0,1]=4 9220 B7R1.18 C[C@@H](O)C1CCC1 Amb24478546 [1,0,0,1,0,0|1,0,1]=4 9221 B7R1.18 C[C@H](O)C1CCC1 Amb25145632 [1,0,0,1,0,0|1,0,1]=4 9222 B7R1.18 N=C(N)C1CCC1 Amb2695056 [1,0,0,1,0,0|2,0,0]=4 9223 B7R1.18 N=C(N)C1CCC1 Amb33528962 [1,0,0,1,0,0|2,0,0]=4 9224 B7R1.18 NC(=O)C1CCC1 Amb33552668 [1,0,0,1,0,0|1,0,0]=3 9225 B7R1.18 NC(=O)C1CCN1 Amb22230240 [1,0,0,1,0,0|2,0,0]=4 9226 B7R1.18 NC(=O)C1CCN1 Amb22491865 [1,0,0,1,0,0|2,0,0]=4 9227 B7R1.18 NC(=O)C1CNC1 Amb10976072 [1,0,0,1,0,0|2,0,0]=4 9228 B7R1.18 NC(=O)C1CNC1 Amb20061301 [1,0,0,1,0,0|2,0,0]=4 9229 B7R1.18 NC(=O)C1CNC1 Amb21960249 [1,0,0,1,0,0|2,0,0]=4 9230 B7R1.18 NC(=O)C1CSC1 Amb27209831 [1,0,0,1,0,0|2,0,0]=4 9231 B7R1.18 NC(=O)N1CCC1 Amb25326782 [1,0,0,1,0,0|2,0,0]=4 9232 B7R1.18 NC(=O)[C@@H]1CCN1 Amb27454228 [1,0,0,1,0,0|2,0,0]=4 9233 B7R1.18 NC(=S)C1CCC1 Amb18108358 [1,0,0,1,0,0|1,1,0]=4 9234 B7R1.18 NS(=O)C1CCC1 Amb32720395 [1,0,0,1,0,0|2,0,0]=4 9235 B7R1.18 O=C(Br)C1CCC1 Amb28291328 [1,0,0,1,0,0|1,0,0]=3 9236 B7R1.18 O=C(Cl)C1CCC1 Amb33528386 [1,0,0,1,0,0|1,0,0]=3 9237 B7R1.18 O=C(Cl)N1CCC1 Amb28144777 [1,0,0,1,0,0|2,0,0]=4 9238 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [1,0,0,1,0,0|0,0,2]=4 9239 B7R1.18 O=C(O)C1CCC1 Amb2686619 [1,0,0,1,0,0|0,0,0]=2 9240 B7R1.18 O=C(O)C1CCN1 Amb2371568 [1,0,0,1,0,0|1,0,0]=3 9241 B7R1.18 O=C(O)C1CCN1 Amb8391098 [1,0,0,1,0,0|1,0,0]=3 9242 B7R1.18 O=C(O)C1CCO1 Amb2383526 [1,0,0,1,0,0|1,0,0]=3 9243 B7R1.18 O=C(O)C1CCS1 Amb27209836 [1,0,0,1,0,0|1,0,0]=3 9244 B7R1.18 O=C(O)C1CNC1 Amb2444164 [1,0,0,1,0,0|1,0,0]=3 9245 B7R1.18 O=C(O)C1CNC1 Amb8384273 [1,0,0,1,0,0|1,0,0]=3 9246 B7R1.18 O=C(O)C1COC1 Amb33542663 [1,0,0,1,0,0|1,0,0]=3 9247 B7R1.18 O=C(O)C1CSC1 Amb20171470 [1,0,0,1,0,0|1,0,0]=3 9248 B7R1.18 O=C(O)[C@@H]1CCN1 Amb2698263 [1,0,0,1,0,0|1,0,0]=3 9249 B7R1.18 O=C(O)[C@@H]1CCN1 Amb8631077 [1,0,0,1,0,0|1,0,0]=3 9250 B7R1.18 O=C(O)[C@@H]1CCO1 Amb33482870 [1,0,0,1,0,0|1,0,0]=3 9251 B7R1.18 O=C(O)[C@H]1CCN1 Amb2698264 [1,0,0,1,0,0|1,0,0]=3 9252 B7R1.18 O=C(O)[C@H]1CCN1 Amb33801322 [1,0,0,1,0,0|1,0,0]=3 9253 B7R1.18 O=C(O)[C@H]1CCO1 Amb33483353 [1,0,0,1,0,0|1,0,0]=3 9254 B7R1.18 O=S(Cl)C1CCC1 Amb32720394 [1,0,0,1,0,0|2,0,0]=4 9255 B7R1.18 O=S([O-])C1CCC1 Amb32755305 [1,0,0,1,0,0|1,0,1]=4 9256 B7R1.18 O=[N+]([O-])C1CCC1 Amb13883563 [1,0,0,1,0,0|1,0,1]=4 9257 B7R1.18 OB(O)C1CCC1 Amb10071491 [1,0,0,1,0,0|1,0,1]=4 9258 B7R1.19 CC(=O)C1(Br)CC1 Amb22498709 [0,0,0,1,1,0|2,0,0]=4 9259 B7R1.19 CC(=O)C1(C)CC1 Amb1161819 [0,0,0,1,1,0|1,0,0]=3 9260 B7R1.19 CC(=O)C1(C)CO1 Amb9677568 [0,0,0,1,1,0|2,0,0]=4 9261 B7R1.19 CC(=O)C1(Cl)CC1 Amb20671915 [0,0,0,1,1,0|2,0,0]=4 9262 B7R1.19 CC(=O)C1(F)CC1 Amb22388893 [0,0,0,1,1,0|2,0,0]=4 9263 B7R1.19 CC(=O)C1(N)CC1 Amb25279285 [0,0,0,1,1,0|2,0,0]=4 9264 B7R1.19 CC(=O)C1(N)CC1 Amb28827658 [0,0,0,1,1,0|2,0,0]=4 9265 B7R1.19 CC(=O)[C@@]1(C)CO1 Amb28050546 [0,0,0,1,1,0|2,0,0]=4 9266 B7R1.19 CC(O)C1(C)CC1 Amb9358377 [0,0,0,1,1,0|1,0,1]=4 9267 B7R1.19 CC1(C(=N)N)CC1 Amb26579743 [0,0,0,1,1,0|2,0,0]=4 9268 B7R1.19 CC1(C(=N)N)CC1 Amb8630644 [0,0,0,1,1,0|2,0,0]=4 9269 B7R1.19 CC1(C(=O)Cl)CC1 Amb16230812 [0,0,0,1,1,0|1,0,0]=3 9270 B7R1.19 CC1(C(=O)O)CC1 Amb2779924 [0,0,0,1,1,0|0,0,0]=2 9271 B7R1.19 CC1(C(=O)O)CO1 Amb33542864 [0,0,0,1,1,0|1,0,0]=3 9272 B7R1.19 CC1(C(N)=O)CC1 Amb19958822 [0,0,0,1,1,0|1,0,0]=3 9273 B7R1.19 CC1(C(N)=S)CC1 Amb27229897 [0,0,0,1,1,0|1,1,0]=4 9274 B7R1.19 CC1(S(=O)Cl)CC1 Amb32720448 [0,0,0,1,1,0|2,0,0]=4 9275 B7R1.19 CC1(S(=O)[O-])CC1 Amb32754349 [0,0,0,1,1,0|1,0,1]=4 9276 B7R1.19 CC1(S(N)=O)CC1 Amb32720420 [0,0,0,1,1,0|2,0,0]=4 9277 B7R1.19 C[C@@H](O)C1(C)CC1 Amb28250711 [0,0,0,1,1,0|1,0,1]=4 9278 B7R1.19 C[C@H](O)C1(C)CC1 Amb27391127 [0,0,0,1,1,0|1,0,1]=4 9279 B7R1.19 NC(=O)C1(Br)CC1 Amb22234538 [0,0,0,1,1,0|2,0,0]=4 9280 B7R1.19 NC(=O)C1(Cl)CC1 Amb28187965 [0,0,0,1,1,0|2,0,0]=4 9281 B7R1.19 NC(=O)C1(F)CC1 Amb27851813 [0,0,0,1,1,0|2,0,0]=4 9282 B7R1.19 NC(=O)C1(N)CC1 Amb22001522 [0,0,0,1,1,0|2,0,0]=4 9283 B7R1.19 NC(=O)C1(N)CC1 Amb33544868 [0,0,0,1,1,0|2,0,0]=4 9284 B7R1.19 NC(=O)C1(O)CC1 Amb25745829 [0,0,0,1,1,0|2,0,0]=4 9285 B7R1.19 NC1(C(=O)O)CC1 Amb4296883 [0,0,0,1,1,0|1,0,0]=3 9286 B7R1.19 NC1(C(=O)O)CC1 Amb6223185 [0,0,0,1,1,0|1,0,0]=3 9287 B7R1.19 NC1([PH](=O)O)CC1 Amb27655512 [0,0,0,1,1,0|2,0,0]=4 9288 B7R1.19 O=C(O)C1(Br)CC1 Amb33544592 [0,0,0,1,1,0|1,0,0]=3 9289 B7R1.19 O=C(O)C1(Cl)CC1 Amb25841916 [0,0,0,1,1,0|1,0,0]=3 9290 B7R1.19 O=C(O)C1(F)CC1 Amb22001836 [0,0,0,1,1,0|1,0,0]=3 9291 B7R1.19 O=C(O)C1(O)CC1 Amb6609000 [0,0,0,1,1,0|1,0,0]=3 9292 B9R1.1 CCC1C=CC(=O)CC1 Amb26870913 [0,0,0,1,0,1|1,0,1]=4 9293 B9R1.1 CCC1CCC(=O)CC1 Amb6296028 [0,0,0,1,0,1|1,0,0]=3 9294 B9R1.1 CCC1CNC(=O)CN1 Amb18832614 [0,0,0,1,0,1|1,0,0]=3 9295 B9R1.1 CCC1CNC(=O)CO1 Amb27427622 [0,0,0,1,0,1|1,0,0]=3 9296 B9R1.1 CCC1CNC(=O)NC1 Amb25960166 [0,0,0,1,0,1|1,0,0]=3 9297 B9R1.1 CCC1COC(=O)CN1 Amb27179683 [0,0,0,1,0,1|0,0,0]=2 9298 B9R1.1 CCC1COC(C)CN1 Amb9702470 [0,0,0,1,0,1|1,0,1]=4 9299 B9R1.1 CCN1CCC(=O)CC1 Amb4606003 [0,0,0,1,0,1|2,0,0]=4 9300 B9R1.1 CCP1CCC(=O)CC1 Amb28285169 [0,0,0,1,0,1|2,0,0]=4 9301 B9R1.1 CC[C@H]1CC[C@H](O)CC1 Amb22231677 [0,0,0,1,0,1|1,0,1]=4 9302 B9R1.1 CNC1CCC(=O)CC1 Amb10602371 [0,0,0,1,0,1|2,0,0]=4 9303 B9R1.1 CNC1CCC(=O)CC1 Amb22170247 [0,0,0,1,0,1|2,0,0]=4 9304 B9R1.1 CNC1CCC(=O)NC1 Amb28047809 [0,0,0,1,0,1|2,0,0]=4 9305 B9R1.1 COC1CCC(=O)CC1 Amb2385260 [0,0,0,1,0,1|2,0,0]=4 9306 B9R1.1 COC1CCC(=O)CO1 Amb27265592 [0,0,0,1,0,1|2,0,0]=4 9307 B9R1.1 COC1CN=C(N)OC1 Amb27413531 [0,0,0,1,0,1|2,0,0]=4 9308 B9R1.1 CO[C@@H]1CCC(=O)CO1 Amb27659850 [0,0,0,1,0,1|2,0,0]=4 9309 B9R1.1 NCC1CCC(=O)CC1 Amb31307747 [0,0,0,1,0,1|2,0,0]=4 9310 B9R1.1 NCC1CCC(=O)NC1 Amb18832607 [0,0,0,1,0,1|2,0,0]=4 9311 B9R1.1 NCC1CCC(=O)NC1 Amb32653087 [0,0,0,1,0,1|2,0,0]=4 9312 B9R1.1 NCC1CCC(=O)NC1 Amb32653107 [0,0,0,1,0,1|2,0,0]=4 9313 B9R1.1 NCC1CCC(=O)NC1 Amb35748141 [0,0,0,1,0,1|2,0,0]=4 9314 B9R1.1 NCC1CNC(=O)CO1 Amb22235660 [0,0,0,1,0,1|2,0,0]=4 9315 B9R1.1 NCC1CNC(=O)CO1 Amb24682214 [0,0,0,1,0,1|2,0,0]=4 9316 B9R1.1 NCC1COC(=O)CO1 Amb26575044 [0,0,0,1,0,1|1,0,0]=3 9317 B9R1.1 O=C1CCC(CBr)CC1 Amb26583100 [0,0,0,1,0,1|2,0,0]=4 9318 B9R1.1 O=C1CCC(CBr)CN1 Amb23597460 [0,0,0,1,0,1|2,0,0]=4 9319 B9R1.1 O=C1CCC(CCl)CC1 Amb27196238 [0,0,0,1,0,1|2,0,0]=4 9320 B9R1.1 O=C1CCC(CO)CC1 Amb10071596 [0,0,0,1,0,1|2,0,0]=4 9321 B9R1.1 O=C1CCC(CO)CN1 Amb19958990 [0,0,0,1,0,1|2,0,0]=4 9322 B9R1.1 O=C1COC(CBr)CN1 Amb28281419 [0,0,0,1,0,1|2,0,0]=4 9323 B9R1.1 O=C1COC(CCl)CO1 Amb33734959 [0,0,0,1,0,1|1,0,0]=3 9324 B9R1.1 O=C1COC(CO)CN1 Amb22236094 [0,0,0,1,0,1|2,0,0]=4 9325 B9R1.1 O=C1COC(CO)CO1 Amb28315509 [0,0,0,1,0,1|1,0,0]=3 9326 B9R1.1 O=C1CO[C@H](CO)CN1 Amb10067153 [0,0,0,1,0,1|2,0,0]=4 9327 B9R1.1 OCC1CC=C(O)CC1 Amb27465669 [0,0,0,1,0,1|2,0,0]=4 9328 B9R1.10 CC1CCC(C)(O)CC1 Amb9675900 [0,0,0,1,0,1|1,0,1]=4 9329 B9R1.10 CC1CCC(C)(O)CO1 Amb30016383 [0,0,0,1,0,1|1,0,1]=4 9330 B9R1.10 CC1CCC(C)(O)CS1 Amb29855989 [0,0,0,1,0,1|1,0,1]=4 9331 B9R1.10 C[C@H]1CC[C@](C)(O)CC1 Amb28205300 [0,0,0,1,0,1|1,0,1]=4 9332 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [0,0,0,1,0,1|0,0,2]=4 9333 B9R1.35 CC(=O)C1C=C(C)CC1 Amb28137737 [0,0,0,1,0,1|1,0,1]=4 9334 B9R1.35 CC(=O)C1CC(C)CO1 Amb27780018 [0,0,0,1,0,1|2,0,0]=4 9335 B9R1.35 CC(=O)C1CCC(N)C1 Amb27960182 [0,0,0,1,0,1|2,0,0]=4 9336 B9R1.35 CC(=O)C1CCC(N)C1 Amb33447083 [0,0,0,1,0,1|2,0,0]=4 9337 B9R1.35 CC(=O)C1CCC(O)O1 Amb27838664 [0,0,0,1,0,1|2,0,0]=4 9338 B9R1.35 CC(=O)C1CCN(C)C1 Amb27829019 [0,0,0,1,0,1|2,0,0]=4 9339 B9R1.35 CC(=O)C1CC[C@@H](C)O1 Amb33423868 [0,0,0,1,0,1|1,0,0]=3 9340 B9R1.35 CC(=O)C1CC[C@H](C)C1 Amb27261938 [0,0,0,1,0,1|1,0,0]=3 9341 B9R1.35 CC(=O)C1SCC(C)S1 Amb24676738 [0,0,0,1,0,1|2,0,0]=4 9342 B9R1.35 CC(=O)N1CCC(F)C1 Amb35614292 [0,0,0,1,0,1|2,0,0]=4 9343 B9R1.35 CC(=O)N1CCC(N)C1 Amb17739841 [0,0,0,1,0,1|2,0,0]=4 9344 B9R1.35 CC(=O)N1CCC(N)C1 Amb33549525 [0,0,0,1,0,1|2,0,0]=4 9345 B9R1.35 CC(=O)N1CCC(O)C1 Amb20622704 [0,0,0,1,0,1|2,0,0]=4 9346 B9R1.35 CC(=O)N1CC[C@@H](Br)C1 Amb22227483 [0,0,0,1,0,1|2,0,0]=4 9347 B9R1.35 CC(=O)N1CC[C@@H](Cl)C1 Amb22227481 [0,0,0,1,0,1|2,0,0]=4 9348 B9R1.35 CC(=O)N1CC[C@@H](I)C1 Amb22227495 [0,0,0,1,0,1|2,0,0]=4 9349 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Amb19891343 [0,0,0,1,0,1|2,0,0]=4 9350 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Amb22227487 [0,0,0,1,0,1|2,0,0]=4 9351 B9R1.35 CC(=O)N1CC[C@@H](O)C1 Amb17935744 [0,0,0,1,0,1|2,0,0]=4 9352 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 Amb22227524 [0,0,0,1,0,1|2,0,0]=4 9353 B9R1.35 CC(=O)N1CC[C@H](I)C1 Amb22227531 [0,0,0,1,0,1|2,0,0]=4 9354 B9R1.35 CC(=O)N1CC[C@H](N)C1 Amb19890016 [0,0,0,1,0,1|2,0,0]=4 9355 B9R1.35 CC(=O)N1CC[C@H](N)C1 Amb22227520 [0,0,0,1,0,1|2,0,0]=4 9356 B9R1.35 CC(=O)N1CC[C@H](O)C1 Amb17935745 [0,0,0,1,0,1|2,0,0]=4 9357 B9R1.35 CC(=O)[C@@H]1CC[C@@H](C)C1 Amb27861348 [0,0,0,1,0,1|1,0,0]=3 9358 B9R1.35 CC(=O)[C@@H]1CC[C@H](C)C1 Amb27861349 [0,0,0,1,0,1|1,0,0]=3 9359 B9R1.35 CC(=O)[C@@H]1CC[C@H](C)O1 Amb26958731 [0,0,0,1,0,1|1,0,0]=3 9360 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [0,0,0,1,0,1|1,0,1]=4 9361 B9R1.35 CC1=CC(C(=O)O)SC1 Amb10809142 [0,0,0,1,0,1|1,0,1]=4 9362 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [0,0,0,1,0,1|0,0,1]=3 9363 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [0,0,0,1,0,1|0,0,1]=3 9364 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [0,0,0,1,0,1|1,0,1]=4 9365 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [0,0,0,1,0,1|1,0,1]=4 9366 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [0,0,0,1,0,1|1,0,1]=4 9367 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [0,0,0,1,0,1|1,0,1]=4 9368 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [0,0,0,1,0,1|1,0,1]=4 9369 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [0,0,0,1,0,1|1,0,1]=4 9370 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [0,0,0,1,0,1|0,0,1]=3 9371 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [0,0,0,1,0,1|1,0,1]=4 9372 B9R1.35 CC1C=C(C(=O)O)CC1 Amb18642397 [0,0,0,1,0,1|0,0,1]=3 9373 B9R1.35 CC1C=CC(C(=O)O)O1 Amb18642586 [0,0,0,1,0,1|0,0,2]=4 9374 B9R1.35 CC1CC(C(=O)O)=NO1 Amb25694020 [0,0,0,1,0,1|2,0,0]=4 9375 B9R1.35 CC1CC(C(=O)O)CN1 Amb18832566 [0,0,0,1,0,1|1,0,0]=3 9376 B9R1.35 CC1CC(C(=O)O)CO1 Amb25922998 [0,0,0,1,0,1|1,0,0]=3 9377 B9R1.35 CC1CC(C(=O)O)SS1 Amb28385584 [0,0,0,1,0,1|2,0,0]=4 9378 B9R1.35 CC1CC(C(N)=O)CN1 Amb27665690 [0,0,0,1,0,1|2,0,0]=4 9379 B9R1.35 CC1CCC(C(=O)Cl)O1 Amb27424709 [0,0,0,1,0,1|1,0,0]=3 9380 B9R1.35 CC1CCC(C(=O)O)C1 Amb18642624 [0,0,0,1,0,1|0,0,0]=2 9381 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [0,0,0,1,0,1|0,0,0]=2 9382 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [0,0,0,1,0,1|0,0,0]=2 9383 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [0,0,0,1,0,1|0,0,0]=2 9384 B9R1.35 CC1CCC(C(=O)O)S1 Amb25719281 [0,0,0,1,0,1|0,0,0]=2 9385 B9R1.35 CC1CCC(C(N)=O)O1 Amb27838521 [0,0,0,1,0,1|1,0,0]=3 9386 B9R1.35 CC1CCC(C(N)=S)O1 Amb27858136 [0,0,0,1,0,1|1,1,0]=4 9387 B9R1.35 CC1CCC(S(=O)Cl)C1 Amb32720564 [0,0,0,1,0,1|2,0,0]=4 9388 B9R1.35 CC1CCC(S(=O)[O-])C1 Amb32755283 [0,0,0,1,0,1|1,0,1]=4 9389 B9R1.35 CC1CCC(S(N)=O)C1 Amb32720565 [0,0,0,1,0,1|2,0,0]=4 9390 B9R1.35 CC1CCC([C@H](C)O)O1 Amb27959437 [0,0,0,1,0,1|1,0,1]=4 9391 B9R1.35 CC1CCN(C(=N)N)C1 Amb27195024 [0,0,0,1,0,1|2,0,0]=4 9392 B9R1.35 CC1CCN(C(=O)Cl)C1 Amb27391470 [0,0,0,1,0,1|1,0,0]=3 9393 B9R1.35 CC1CC[C@@H](B(O)O)S1 Amb24698939 [0,0,0,1,0,1|1,0,1]=4 9394 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [0,0,0,1,0,1|0,0,0]=2 9395 B9R1.35 CC1CNC(C(N)=O)C1 Amb27783370 [0,0,0,1,0,1|2,0,0]=4 9396 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb33756822 [0,0,0,1,0,1|1,0,0]=3 9397 B9R1.35 CC1CN[C@H](C(=O)O)C1 Amb8386516 [0,0,0,1,0,1|1,0,0]=3 9398 B9R1.35 CC1COC(C(=O)O)C1 Amb32679237 [0,0,0,1,0,1|1,0,0]=3 9399 B9R1.35 CC1NC(C(=O)O)CS1 Amb9718451 [0,0,0,1,0,1|1,0,0]=3 9400 B9R1.35 CC1NC(C(N)=O)CS1 Amb28194888 [0,0,0,1,0,1|2,0,0]=4 9401 B9R1.35 CC1N[C@H](C(=O)O)CS1 Amb16203706 [0,0,0,1,0,1|1,0,0]=3 9402 B9R1.35 CN1CCC(C(=O)O)C1 Amb3941190 [0,0,0,1,0,1|1,0,0]=3 9403 B9R1.35 CN1CCC(C(=O)O)C1 Amb9154860 [0,0,0,1,0,1|1,0,0]=3 9404 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22746030 [0,0,0,1,0,1|1,0,0]=3 9405 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22756448 [0,0,0,1,0,1|1,0,0]=3 9406 B9R1.35 CN1CC[C@H](C(=O)O)C1 Amb26635487 [0,0,0,1,0,1|1,0,0]=3 9407 B9R1.35 C[C@@H]1C=C[C@@H](C(=O)O)S1 Amb28347473 [0,0,0,1,0,1|0,0,2]=4 9408 B9R1.35 C[C@@H]1C=N[C@H](C(=O)O)C1 Amb27468755 [0,0,0,1,0,1|1,0,1]=4 9409 B9R1.35 C[C@@H]1CCC(C(=N)N)O1 Amb32730393 [0,0,0,1,0,1|2,0,0]=4 9410 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [0,0,0,1,0,1|0,0,0]=2 9411 B9R1.35 C[C@@H]1CCC(C(N)=S)O1 Amb32730369 [0,0,0,1,0,1|1,1,0]=4 9412 B9R1.35 C[C@@H]1CCC([C@@H](C)O)O1 Amb33423376 [0,0,0,1,0,1|1,0,1]=4 9413 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)C1 Amb28429501 [0,0,0,1,0,1|0,0,0]=2 9414 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [0,0,0,1,0,1|0,0,0]=2 9415 B9R1.35 C[C@@H]1CC[C@@H](C(N)=O)N1 Amb28456271 [0,0,0,1,0,1|1,0,0]=3 9416 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)C1 Amb10843961 [0,0,0,1,0,1|0,0,0]=2 9417 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [0,0,0,1,0,1|0,0,0]=2 9418 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [0,0,0,1,0,1|0,0,0]=2 9419 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [0,0,0,1,0,1|0,0,0]=2 9420 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb19888348 [0,0,0,1,0,1|1,0,0]=3 9421 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 Amb33812626 [0,0,0,1,0,1|1,0,0]=3 9422 B9R1.35 C[C@@H]1CS[C@@H](C(=O)Cl)S1 Amb25110654 [0,0,0,1,0,1|2,0,0]=4 9423 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CO1 Amb27961253 [0,0,0,1,0,1|1,0,0]=3 9424 B9R1.35 C[C@@H]1O[C@H](C(=O)O)CS1 Amb26951854 [0,0,0,1,0,1|1,0,0]=3 9425 B9R1.35 C[C@H](O)C1CC[C@@H](C)O1 Amb33423345 [0,0,0,1,0,1|1,0,1]=4 9426 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [0,0,0,1,0,1|0,0,0]=2 9427 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [0,0,0,1,0,1|0,0,0]=2 9428 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [0,0,0,1,0,1|0,0,0]=2 9429 B9R1.35 C[C@H]1CC[C@@H](C(N)=O)C1 Amb27630457 [0,0,0,1,0,1|1,0,0]=3 9430 B9R1.35 C[C@H]1CC[C@@H](C(N)=O)N1 Amb28059269 [0,0,0,1,0,1|1,0,0]=3 9431 B9R1.35 C[C@H]1CC[C@@H](C(N)=O)O1 Amb27390111 [0,0,0,1,0,1|1,0,0]=3 9432 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [0,0,0,1,0,1|0,0,0]=2 9433 B9R1.35 C[C@H]1CC[C@H](C(N)=O)N1 Amb27204783 [0,0,0,1,0,1|1,0,0]=3 9434 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb19887682 [0,0,0,1,0,1|1,0,0]=3 9435 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 Amb23439040 [0,0,0,1,0,1|1,0,0]=3 9436 B9R1.35 C[C@H]1CS[C@H](C(=O)Cl)S1 Amb28320678 [0,0,0,1,0,1|2,0,0]=4 9437 B9R1.35 C[C@H]1N[C@@H](C(=O)O)CS1 Amb28198473 [0,0,0,1,0,1|1,0,0]=3 9438 B9R1.35 C[C@H]1O[C@H](C(=O)O)CS1 Amb27252305 [0,0,0,1,0,1|1,0,0]=3 9439 B9R1.35 NC(=O)C1CCC(Cl)C1 Amb27253059 [0,0,0,1,0,1|2,0,0]=4 9440 B9R1.35 NC(=O)C1CCC(F)C1 Amb27155322 [0,0,0,1,0,1|2,0,0]=4 9441 B9R1.35 NC(=O)C1CCC(N)C1 Amb25104222 [0,0,0,1,0,1|2,0,0]=4 9442 B9R1.35 NC(=O)C1CCC(N)C1 Amb32663130 [0,0,0,1,0,1|2,0,0]=4 9443 B9R1.35 NC(=O)N1CCC(F)C1 Amb35591996 [0,0,0,1,0,1|2,0,0]=4 9444 B9R1.35 NC(=O)N1CCC(N)C1 Amb18943828 [0,0,0,1,0,1|2,0,0]=4 9445 B9R1.35 NC(=O)N1CCC(N)C1 Amb19373727 [0,0,0,1,0,1|2,0,0]=4 9446 B9R1.35 NC(=O)N1CCC(O)C1 Amb24635585 [0,0,0,1,0,1|2,0,0]=4 9447 B9R1.35 NC(=O)N1CC[C@@H](O)C1 Amb27763323 [0,0,0,1,0,1|2,0,0]=4 9448 B9R1.35 NC(=O)N1CC[C@H](S)C1 Amb27602032 [0,0,0,1,0,1|2,0,0]=4 9449 B9R1.35 NC(=O)[C@@H]1CC[C@H](S)C1 Amb25290990 [0,0,0,1,0,1|2,0,0]=4 9450 B9R1.35 NC(=O)[C@H]1CC[C@@H](N)C1 Amb25321319 [0,0,0,1,0,1|2,0,0]=4 9451 B9R1.35 NC(=O)[C@H]1CC[C@@H](N)C1 Amb28921043 [0,0,0,1,0,1|2,0,0]=4 9452 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [0,0,0,1,0,1|1,0,1]=4 9453 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [0,0,0,1,0,1|1,0,1]=4 9454 B9R1.35 NC1C=C(C(=O)O)CC1 Amb18642496 [0,0,0,1,0,1|1,0,1]=4 9455 B9R1.35 NC1CC=C(C(=O)O)C1 Amb18642495 [0,0,0,1,0,1|1,0,1]=4 9456 B9R1.35 NC1CC=C(C(=O)O)C1 Amb32667606 [0,0,0,1,0,1|1,0,1]=4 9457 B9R1.35 NC1CCC(C(=O)O)C1 Amb10066880 [0,0,0,1,0,1|1,0,0]=3 9458 B9R1.35 NC1CCC(C(=O)O)C1 Amb2694935 [0,0,0,1,0,1|1,0,0]=3 9459 B9R1.35 NC1CN[C@H](C(=O)O)C1 Amb28145911 [0,0,0,1,0,1|2,0,0]=4 9460 B9R1.35 NC1COC(C(=O)O)C1 Amb18642828 [0,0,0,1,0,1|2,0,0]=4 9461 B9R1.35 NC1CSC(C(=O)O)C1 Amb18831415 [0,0,0,1,0,1|2,0,0]=4 9462 B9R1.35 N[C@@H]1CC=C(C(=O)O)C1 Amb25824589 [0,0,0,1,0,1|1,0,1]=4 9463 B9R1.35 N[C@@H]1CCC(C(=O)O)C1 Amb27263056 [0,0,0,1,0,1|1,0,0]=3 9464 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb10066881 [0,0,0,1,0,1|1,0,0]=3 9465 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb33801942 [0,0,0,1,0,1|1,0,0]=3 9466 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb33801272 [0,0,0,1,0,1|1,0,0]=3 9467 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb8516357 [0,0,0,1,0,1|1,0,0]=3 9468 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb19515889 [0,0,0,1,0,1|2,0,0]=4 9469 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 Amb25992752 [0,0,0,1,0,1|2,0,0]=4 9470 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10070446 [0,0,0,1,0,1|2,0,0]=4 9471 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 Amb10603136 [0,0,0,1,0,1|2,0,0]=4 9472 B9R1.35 N[C@@H]1CO[C@@H](C(=O)O)C1 Amb25691536 [0,0,0,1,0,1|2,0,0]=4 9473 B9R1.35 N[C@H]1CC=C(C(=O)O)C1 Amb25143919 [0,0,0,1,0,1|1,0,1]=4 9474 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb22746692 [0,0,0,1,0,1|1,0,0]=3 9475 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb8516356 [0,0,0,1,0,1|1,0,0]=3 9476 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb10066883 [0,0,0,1,0,1|1,0,0]=3 9477 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb22756038 [0,0,0,1,0,1|1,0,0]=3 9478 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 Amb27255323 [0,0,0,1,0,1|2,0,0]=4 9479 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10070445 [0,0,0,1,0,1|2,0,0]=4 9480 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Amb10603131 [0,0,0,1,0,1|2,0,0]=4 9481 B9R1.35 N[C@H]1CO[C@H](C(=O)O)C1 Amb24117069 [0,0,0,1,0,1|2,0,0]=4 9482 B9R1.35 O=C(Cl)C1CCC(Cl)C1 Amb24707520 [0,0,0,1,0,1|2,0,0]=4 9483 B9R1.35 O=C(Cl)N1CCC(F)C1 Amb29869318 [0,0,0,1,0,1|2,0,0]=4 9484 B9R1.35 O=C(O)C1=CC(Br)CC1 Amb27776760 [0,0,0,1,0,1|1,0,1]=4 9485 B9R1.35 O=C(O)C1=CC(O)CC1 Amb27619747 [0,0,0,1,0,1|1,0,1]=4 9486 B9R1.35 O=C(O)C1=C[C@@H](O)CC1 Amb27412374 [0,0,0,1,0,1|1,0,1]=4 9487 B9R1.35 O=C(O)C1=NC[C@@H](O)C1 Amb28198348 [0,0,0,1,0,1|2,0,0]=4 9488 B9R1.35 O=C(O)C1CC(Cl)CN1 Amb28436107 [0,0,0,1,0,1|2,0,0]=4 9489 B9R1.35 O=C(O)C1CC(F)CN1 Amb10608925 [0,0,0,1,0,1|2,0,0]=4 9490 B9R1.35 O=C(O)C1CC(I)CN1 Amb27467588 [0,0,0,1,0,1|2,0,0]=4 9491 B9R1.35 O=C(O)C1CC(O)CN1 Amb32666298 [0,0,0,1,0,1|2,0,0]=4 9492 B9R1.35 O=C(O)C1CC(O)CN1 Amb33481348 [0,0,0,1,0,1|2,0,0]=4 9493 B9R1.35 O=C(O)C1CC(O)CN1 Amb9702801 [0,0,0,1,0,1|2,0,0]=4 9494 B9R1.35 O=C(O)C1CC(O)CO1 Amb18642869 [0,0,0,1,0,1|2,0,0]=4 9495 B9R1.35 O=C(O)C1CCC(Br)C1 Amb2695404 [0,0,0,1,0,1|1,0,0]=3 9496 B9R1.35 O=C(O)C1CCC(F)C1 Amb22886545 [0,0,0,1,0,1|1,0,0]=3 9497 B9R1.35 O=C(O)C1CCC(I)C1 Amb23456141 [0,0,0,1,0,1|1,0,0]=3 9498 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [0,0,0,1,0,1|1,0,0]=3 9499 B9R1.35 O=C(O)C1CCC(S)C1 Amb27403449 [0,0,0,1,0,1|1,0,0]=3 9500 B9R1.35 O=C(O)C1C[C@H](O)CN1 Amb34913473 [0,0,0,1,0,1|2,0,0]=4 9501 B9R1.35 O=C(O)C1NC(O)CS1 Amb26536906 [0,0,0,1,0,1|2,0,0]=4 9502 B9R1.35 O=C(O)[C@@H]1CC(O)CN1 Amb25743296 [0,0,0,1,0,1|2,0,0]=4 9503 B9R1.35 O=C(O)[C@@H]1CC(S)CN1 Amb28430216 [0,0,0,1,0,1|2,0,0]=4 9504 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [0,0,0,1,0,1|1,0,1]=4 9505 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [0,0,0,1,0,1|1,0,0]=3 9506 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [0,0,0,1,0,1|1,0,0]=3 9507 B9R1.35 O=C(O)[C@@H]1CC[C@H](S)C1 Amb26438302 [0,0,0,1,0,1|1,0,0]=3 9508 B9R1.35 O=C(O)[C@@H]1C[C@@H](Br)CN1 Amb10603132 [0,0,0,1,0,1|2,0,0]=4 9509 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb16232298 [0,0,0,1,0,1|2,0,0]=4 9510 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 Amb8386381 [0,0,0,1,0,1|2,0,0]=4 9511 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Amb1994991 [0,0,0,1,0,1|2,0,0]=4 9512 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CO1 Amb28287549 [0,0,0,1,0,1|2,0,0]=4 9513 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 Amb22831348 [0,0,0,1,0,1|2,0,0]=4 9514 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 Amb10603137 [0,0,0,1,0,1|2,0,0]=4 9515 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb27630657 [0,0,0,1,0,1|2,0,0]=4 9516 B9R1.35 O=C(O)[C@@H]1C[C@H](Cl)CN1 Amb35749342 [0,0,0,1,0,1|2,0,0]=4 9517 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb10603139 [0,0,0,1,0,1|2,0,0]=4 9518 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Amb22757085 [0,0,0,1,0,1|2,0,0]=4 9519 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb22748218 [0,0,0,1,0,1|2,0,0]=4 9520 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8384483 [0,0,0,1,0,1|2,0,0]=4 9521 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 Amb8629987 [0,0,0,1,0,1|2,0,0]=4 9522 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb27783148 [0,0,0,1,0,1|2,0,0]=4 9523 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 Amb28994765 [0,0,0,1,0,1|2,0,0]=4 9524 B9R1.35 O=C(O)[C@H]1CC(F)CN1 Amb27447262 [0,0,0,1,0,1|2,0,0]=4 9525 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [0,0,0,1,0,1|1,0,0]=3 9526 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [0,0,0,1,0,1|1,0,0]=3 9527 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb10839999 [0,0,0,1,0,1|2,0,0]=4 9528 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 Amb33726117 [0,0,0,1,0,1|2,0,0]=4 9529 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5718663 [0,0,0,1,0,1|2,0,0]=4 9530 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 Amb5719209 [0,0,0,1,0,1|2,0,0]=4 9531 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb10067741 [0,0,0,1,0,1|2,0,0]=4 9532 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 Amb28989995 [0,0,0,1,0,1|2,0,0]=4 9533 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb16230723 [0,0,0,1,0,1|2,0,0]=4 9534 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 Amb8628928 [0,0,0,1,0,1|2,0,0]=4 9535 B9R1.35 O=C(O)[C@H]1O[C@H](O)CS1 Amb25288477 [0,0,0,1,0,1|2,0,0]=4 9536 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [0,0,0,1,0,1|1,0,1]=4 9537 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [0,0,0,1,0,1|1,0,1]=4 9538 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [0,0,0,1,0,1|1,0,1]=4 9539 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [0,0,0,1,0,1|1,0,1]=4 9540 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [0,0,0,1,0,1|1,0,1]=4 9541 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [0,0,0,1,0,1|1,0,1]=4 9542 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [0,0,0,1,0,1|1,0,1]=4 9543 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [0,0,0,1,0,1|1,0,1]=4 9544 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [0,0,0,1,0,1|1,0,1]=4 9545 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [0,0,0,1,0,1|1,0,1]=4 9546 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [0,0,0,1,0,1|1,0,1]=4 9547 B9R1.46 CC(=O)CCC1CC1C Amb25873753 [0,0,0,1,0,1|1,0,0]=3 9548 B9R1.46 CC(=O)CCC1OC1C Amb28194562 [0,0,0,1,0,1|2,0,0]=4 9549 B9R1.46 CC(=O)OCC1CC1C Amb27836351 [0,0,0,1,0,1|1,0,0]=3 9550 B9R1.46 CC(=O)SCC1CC1C Amb27965313 [0,0,0,1,0,1|1,0,0]=3 9551 B9R1.46 CC(=O)\C=C\C1CC1C Amb33143910 [0,0,0,1,0,1|1,0,1]=4 9552 B9R1.46 CC(O)CCC1CC1C Amb33172627 [0,0,0,1,0,1|1,0,1]=4 9553 B9R1.46 CC1CC1C#CC(=O)O Amb24390173 [0,0,0,1,0,1|0,0,1]=3 9554 B9R1.46 CC1CC1CCC(=O)O Amb27220003 [0,0,0,1,0,1|0,0,0]=2 9555 B9R1.46 CC1CC1CC[C@@H](C)O Amb33144245 [0,0,0,1,0,1|1,0,1]=4 9556 B9R1.46 CC1CC1CC[C@H](C)O Amb33144246 [0,0,0,1,0,1|1,0,1]=4 9557 B9R1.46 CC1CC1CC[N+](=O)[O-] Amb33144228 [0,0,0,1,0,1|1,0,1]=4 9558 B9R1.46 CC1CC1CNC(=O)Cl Amb35625728 [0,0,0,1,0,1|1,0,0]=3 9559 B9R1.46 CC1CC1COC(=O)Cl Amb33296958 [0,0,0,1,0,1|1,0,0]=3 9560 B9R1.46 CC1CC1NCC(N)=O Amb18990531 [0,0,0,1,0,1|1,0,0]=3 9561 B9R1.46 CC1CC1OCC(=O)O Amb33144889 [0,0,0,1,0,1|0,0,0]=2 9562 B9R1.46 CC1CC1\C=C\C(=O)O Amb33226425 [0,0,0,1,0,1|0,0,1]=3 9563 B9R1.46 C[C@@H]1O[C@H]1\C=C\C(=O)O Amb27191995 [0,0,0,1,0,1|1,0,1]=4 9564 B9R1.46 C[C@H]1O[C@H]1\C=C\C(=O)O Amb27614487 [0,0,0,1,0,1|1,0,1]=4 9565 B9R1.49 C=C1CCCC(C)CC1 Amb22364866 [0,0,0,1,0,1|2,0,0]=4 9566 B9R1.49 CC1=CCC(=O)CCC1 Amb27838790 [0,0,0,1,0,1|1,0,1]=4 9567 B9R1.49 CC1CC=CC(=O)CC1 Amb27838660 [0,0,0,1,0,1|1,0,1]=4 9568 B9R1.49 CC1CCCC(=O)CC1 Amb27265770 [0,0,0,1,0,1|1,0,0]=3 9569 B9R1.49 CC1CCCC(O)CC1 Amb25146901 [0,0,0,1,0,1|1,0,1]=4 9570 B9R1.49 CC1CCNC(=O)CC1 Amb9316850 [0,0,0,1,0,1|1,0,0]=3 9571 B9R1.49 CC1CCOC(=O)CC1 Amb24059359 [0,0,0,1,0,1|0,0,0]=2 9572 B9R1.49 CC1CCOC(C)CN1 Amb27641711 [0,0,0,1,0,1|1,0,1]=4 9573 B9R1.49 CC1CNC(=O)CCN1 Amb10607813 [0,0,0,1,0,1|2,0,0]=4 9574 B9R1.49 CC1CNC(=O)CCN1 Amb22587019 [0,0,0,1,0,1|2,0,0]=4 9575 B9R1.49 CN1CCCC(=O)CC1 Amb8383587 [0,0,0,1,0,1|2,0,0]=4 9576 B9R1.49 CN1CCCC(=O)CC1 Amb8394679 [0,0,0,1,0,1|2,0,0]=4 9577 B9R1.49 CN1CCNC(=O)CC1 Amb21857545 [0,0,0,1,0,1|2,0,0]=4 9578 B9R1.49 CN1CCNC(=O)CC1 Amb8393772 [0,0,0,1,0,1|2,0,0]=4 9579 B9R1.49 C[C@@H]1CCCC(=O)CC1 Amb26483475 [0,0,0,1,0,1|1,0,0]=3 9580 B9R1.49 C[C@@H]1CCCC(=O)NC1 Amb27814970 [0,0,0,1,0,1|1,0,0]=3 9581 B9R1.49 C[C@@H]1CCO[C@H](C)CN1 Amb31156635 [0,0,0,1,0,1|1,0,1]=4 9582 B9R1.49 C[C@@H]1CCO[C@H](C)CN1 Amb33276620 [0,0,0,1,0,1|1,0,1]=4 9583 B9R1.49 C[C@H]1CCCC(=O)CC1 Amb28199901 [0,0,0,1,0,1|1,0,0]=3 9584 B9R1.49 C[C@H]1CCC[C@@H](O)CC1 Amb27661374 [0,0,0,1,0,1|1,0,1]=4 9585 B9R1.49 C[C@H]1CCC[C@H](O)CC1 Amb27220545 [0,0,0,1,0,1|1,0,1]=4 9586 B9R1.49 NC1CCCC(=O)NC1 Amb22230053 [0,0,0,1,0,1|2,0,0]=4 9587 B9R1.49 NC1CCCC(=O)NC1 Amb27867752 [0,0,0,1,0,1|2,0,0]=4 9588 B9R1.49 NC1CCNC(=O)CC1 Amb24689800 [0,0,0,1,0,1|2,0,0]=4 9589 B9R1.49 NC1CCNC(=O)CC1 Amb32663578 [0,0,0,1,0,1|2,0,0]=4 9590 B9R1.49 NC1CCNC(=O)CC1 Amb32663872 [0,0,0,1,0,1|2,0,0]=4 9591 B9R1.49 O=C1CCC(Cl)CCN1 Amb27768772 [0,0,0,1,0,1|2,0,0]=4 9592 B9R1.49 O=C1CCC(O)CCN1 Amb26443713 [0,0,0,1,0,1|2,0,0]=4 9593 B9R1.49 O=C1CCC(O)CCO1 Amb23598292 [0,0,0,1,0,1|1,0,0]=3 9594 B9R1.49 O=C1CCCC(O)CN1 Amb22491274 [0,0,0,1,0,1|2,0,0]=4 9595 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [0,0,0,1,0,1|2,0,0]=4 9596 B9R1.49 O=C1CCC[C@H](O)CC1 Amb27838657 [0,0,0,1,0,1|2,0,0]=4 9597 B9R1.49 O=C1CC[C@@H](Br)CCO1 Amb27447872 [0,0,0,1,0,1|1,0,0]=3 9598 B9R1.49 O=C1CC[C@H](Br)CCO1 Amb28458370 [0,0,0,1,0,1|1,0,0]=3 9599 B9R1.55 CC(=O)C1=C(C)C(C)C1 Amb28122458 [0,0,0,1,0,1|1,0,1]=4 9600 B9R1.55 CC(O)C1CC(C)C1C Amb27174537 [0,0,0,1,0,1|1,0,1]=4 9601 B9R1.55 CC1CC(C(=O)Cl)N1C Amb27594214 [0,0,0,1,0,1|2,0,0]=4 9602 B9R1.55 CC1CC(C(=O)O)N1C Amb28285280 [0,0,0,1,0,1|1,0,0]=3 9603 B9R1.55 CC1OC(C(=O)[O-])C1O Amb28069594 [0,0,0,1,0,1|1,0,1]=4 9604 B9R1.55 C[C@@H]1C[C@@H](C(=O)Cl)N1C Amb25336470 [0,0,0,1,0,1|2,0,0]=4 9605 B9R1.55 C[C@@H]1C[C@H](C(=O)Cl)N1C Amb27654275 [0,0,0,1,0,1|2,0,0]=4 9606 B9R1.55 C[C@H]1CC(C(=O)O)[C@@H]1C Amb28132441 [0,0,0,1,0,1|0,0,0]=2 9607 B9R1.55 C[C@H]1C[C@@H](C(=O)Cl)N1C Amb27858264 [0,0,0,1,0,1|2,0,0]=4 9608 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O Amb27848566 [0,0,0,1,0,1|2,0,0]=4 9609 B9R1.67 CC(=N)NC1CCC1C Amb27599537 [0,0,0,1,0,1|2,0,0]=4 9610 B9R1.67 CC(=O)CC1CCC1F Amb27597070 [0,0,0,1,0,1|2,0,0]=4 9611 B9R1.67 CC(=O)OC1CCC1O Amb25740537 [0,0,0,1,0,1|2,0,0]=4 9612 B9R1.67 CC(=O)O[C@@H]1CC[C@H]1Br Amb33328971 [0,0,0,1,0,1|2,0,0]=4 9613 B9R1.67 CC(=O)\C=C1/CCC1C Amb28251863 [0,0,0,1,0,1|1,0,1]=4 9614 B9R1.67 CC(O)CN1CCC1C Amb27406013 [0,0,0,1,0,1|1,0,1]=4 9615 B9R1.67 CC1CCC1NC(=O)Cl Amb35633330 [0,0,0,1,0,1|1,0,0]=3 9616 B9R1.67 CC1CCN1CC(=O)O Amb27838508 [0,0,0,1,0,1|0,0,0]=2 9617 B9R1.67 CC1CCN1CC(=O)O Amb33552557 [0,0,0,1,0,1|0,0,0]=2 9618 B9R1.67 O=C(O)CC1CCC1F Amb33351668 [0,0,0,1,0,1|1,0,0]=3 9619 B9R1.69 CC1=CC(=O)CC[C@H]1C Amb27838729 [0,0,0,1,0,1|1,0,1]=4 9620 B9R1.69 CC1=CC(C)C(C)CC1 Amb25048711 [0,0,0,1,0,1|2,0,0]=4 9621 B9R1.69 CC1=CCC(=O)C[C@@H]1C Amb27434226 [0,0,0,1,0,1|1,0,1]=4 9622 B9R1.69 CC1=CCC(C)C(O)O1 Amb27206419 [0,0,0,1,0,1|2,0,0]=4 9623 B9R1.69 CC1CC(=N)NC[C@@H]1C Amb27213704 [0,0,0,1,0,1|2,0,0]=4 9624 B9R1.69 CC1CC(=O)CCC1O Amb20171463 [0,0,0,1,0,1|2,0,0]=4 9625 B9R1.69 CC1CC(=O)CCN1C Amb19148128 [0,0,0,1,0,1|2,0,0]=4 9626 B9R1.69 CC1CC(=O)CC[C@H]1C Amb28141697 [0,0,0,1,0,1|1,0,0]=3 9627 B9R1.69 CC1CC(=O)NCC1O Amb27257393 [0,0,0,1,0,1|2,0,0]=4 9628 B9R1.69 CC1CC(=O)OCC1O Amb27956456 [0,0,0,1,0,1|2,0,0]=4 9629 B9R1.69 CC1CC(O)CNC1C Amb32759506 [0,0,0,1,0,1|1,0,1]=4 9630 B9R1.69 CC1CCC(=O)CC1C Amb22732216 [0,0,0,1,0,1|1,0,0]=3 9631 B9R1.69 CC1CCC(=O)CC1Cl Amb27872191 [0,0,0,1,0,1|2,0,0]=4 9632 B9R1.69 CC1CCC(=O)CC1I Amb32867595 [0,0,0,1,0,1|2,0,0]=4 9633 B9R1.69 CC1CCC(=O)CC1N Amb32866958 [0,0,0,1,0,1|2,0,0]=4 9634 B9R1.69 CC1CCC(=O)CC1O Amb27180113 [0,0,0,1,0,1|2,0,0]=4 9635 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [0,0,0,1,0,1|1,0,1]=4 9636 B9R1.69 CC1CCC(O)CC1C Amb10844787 [0,0,0,1,0,1|1,0,1]=4 9637 B9R1.69 CC1CNC(=N)CC1C Amb25960293 [0,0,0,1,0,1|2,0,0]=4 9638 B9R1.69 CC1CNC(=O)CC1O Amb27816242 [0,0,0,1,0,1|2,0,0]=4 9639 B9R1.69 CC1CNC(=O)CN1C Amb33347762 [0,0,0,1,0,1|2,0,0]=4 9640 B9R1.69 CC1CNC(=O)NC1N Amb27229171 [0,0,0,1,0,1|2,0,0]=4 9641 B9R1.69 CC1CNC(=S)SC1C Amb27760667 [0,0,0,1,0,1|0,2,0]=4 9642 B9R1.69 CC1CNC(C)C(C)O1 Amb26065005 [0,0,0,1,0,1|1,0,1]=4 9643 B9R1.69 CC1NC(=O)CCC1Cl Amb27397322 [0,0,0,1,0,1|2,0,0]=4 9644 B9R1.69 CC1NC(=O)CCC1N Amb25276175 [0,0,0,1,0,1|2,0,0]=4 9645 B9R1.69 CC1NC(=O)CCC1O Amb22229985 [0,0,0,1,0,1|2,0,0]=4 9646 B9R1.69 CC1NC(=O)COC1C Amb27440075 [0,0,0,1,0,1|1,0,0]=3 9647 B9R1.69 CC1NCC(=O)NC1C Amb27201107 [0,0,0,1,0,1|1,0,0]=3 9648 B9R1.69 CC1OC(=O)CCC1Br Amb27875143 [0,0,0,1,0,1|1,0,0]=3 9649 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,0,0,1,0,1|1,0,1]=4 9650 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [0,0,0,1,0,1|1,0,1]=4 9651 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O Amb34913315 [0,0,0,1,0,1|2,0,0]=4 9652 B9R1.69 C[C@@H]1CCC(O)C[C@H]1C Amb27445019 [0,0,0,1,0,1|1,0,1]=4 9653 B9R1.69 C[C@@H]1CC[C@@H](O)C[C@H]1C Amb28053499 [0,0,0,1,0,1|1,0,1]=4 9654 B9R1.69 C[C@@H]1COC(=O)N[C@H]1C Amb27203324 [0,0,0,1,0,1|1,0,0]=3 9655 B9R1.69 C[C@@H]1OC(=S)NC[C@H]1C Amb27439669 [0,0,0,1,0,1|0,1,0]=3 9656 B9R1.69 C[C@@H]1OCC(=O)N[C@@H]1C Amb26870419 [0,0,0,1,0,1|1,0,0]=3 9657 B9R1.69 C[C@H]1CC(=O)CC[C@H]1C Amb25363978 [0,0,0,1,0,1|1,0,0]=3 9658 B9R1.69 C[C@H]1CC(=O)NC[C@H]1O Amb28365998 [0,0,0,1,0,1|2,0,0]=4 9659 B9R1.69 C[C@H]1CCC(=O)C[C@@H]1C Amb26440377 [0,0,0,1,0,1|1,0,0]=3 9660 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C Amb26910681 [0,0,0,1,0,1|1,0,0]=3 9661 B9R1.69 C[C@H]1CC[C@@H](O)C[C@@H]1C Amb27452456 [0,0,0,1,0,1|1,0,1]=4 9662 B9R1.69 C[C@H]1CC[C@@H](O)C[C@H]1C Amb28247082 [0,0,0,1,0,1|1,0,1]=4 9663 B9R1.69 C[C@H]1CC[C@H](O)C[C@H]1C Amb28134680 [0,0,0,1,0,1|1,0,1]=4 9664 B9R1.69 C[C@H]1CNC(=O)O[C@H]1C Amb27492970 [0,0,0,1,0,1|0,0,0]=2 9665 B9R1.69 C[C@H]1CNC(=S)N[C@H]1C Amb27421636 [0,0,0,1,0,1|1,1,0]=4 9666 B9R1.69 C[C@H]1CN[C@H](C)[C@@H](C)O1 Amb27188481 [0,0,0,1,0,1|1,0,1]=4 9667 B9R1.69 C[C@H]1COC(=O)C[C@@H]1O Amb27853905 [0,0,0,1,0,1|2,0,0]=4 9668 B9R1.69 C[C@H]1C[C@@H](O)CC[C@H]1C Amb27978914 [0,0,0,1,0,1|1,0,1]=4 9669 B9R1.69 C[C@H]1NC(=O)CC[C@@H]1O Amb28128446 [0,0,0,1,0,1|2,0,0]=4 9670 B9R1.80 CCC(C)NCC1CO1 Amb27162537 [0,0,0,1,0,1|1,0,1]=4 9671 B9R1.80 CCC(C)OC[C@H]1CO1 Amb27956616 [0,0,0,1,0,1|1,0,1]=4 9672 B9R1.80 CCC(C)SCC1CO1 Amb6680857 [0,0,0,1,0,1|1,0,1]=4 9673 B9R1.80 CCC(C)SC[C@H]1CO1 Amb27801672 [0,0,0,1,0,1|1,0,1]=4 9674 B9R1.82 CC(CO)C1CC(=O)O1 Amb28315511 [0,0,0,1,0,1|1,0,0]=3 9675 B9R1.82 CCC(Br)C1CC(=O)O1 Amb27636202 [0,0,0,1,0,1|1,0,0]=3 9676 B9R1.82 CCC(C)C1CC(=O)N1 Amb27780586 [0,0,0,1,0,1|1,0,0]=3 9677 B9R1.82 CCC(C)N1CC(O)C1 Amb27870043 [0,0,0,1,0,1|1,0,1]=4 9678 B9R1.82 COC(C)C1CC(=O)N1 Amb28320401 [0,0,0,1,0,1|2,0,0]=4 9679 B9R1.82 C[C@@H](CO)[C@@H]1CC(=O)N1 Amb28059566 [0,0,0,1,0,1|2,0,0]=4 9680 B9R1.84 C=C(C)CNC1CCC1 Amb18298086 [0,0,0,1,0,1|2,0,0]=4 9681 B9R1.84 CC(=O)CCC1CCC1 Amb24534447 [0,0,0,1,0,1|1,0,0]=3 9682 B9R1.84 CC(=O)CCC1CNC1 Amb33307594 [0,0,0,1,0,1|2,0,0]=4 9683 B9R1.84 CC(=O)CCC1COC1 Amb27670151 [0,0,0,1,0,1|2,0,0]=4 9684 B9R1.84 CC(=O)COC1CNC1 Amb27634342 [0,0,0,1,0,1|2,0,0]=4 9685 B9R1.84 CC(=O)NCC1CNC1 Amb28289479 [0,0,0,1,0,1|2,0,0]=4 9686 B9R1.84 CC(=O)NCC1CNC1 Amb33839583 [0,0,0,1,0,1|2,0,0]=4 9687 B9R1.84 CC(=O)NCC1CSC1 Amb35635237 [0,0,0,1,0,1|2,0,0]=4 9688 B9R1.84 CC(=O)NOC1CCC1 Amb27211499 [0,0,0,1,0,1|2,0,0]=4 9689 B9R1.84 CC(=O)OCC1CCC1 Amb27980327 [0,0,0,1,0,1|1,0,0]=3 9690 B9R1.84 CC(=O)\C=C\C1CCC1 Amb33448508 [0,0,0,1,0,1|1,0,1]=4 9691 B9R1.84 CC(O)CCC1CCC1 Amb27146306 [0,0,0,1,0,1|1,0,1]=4 9692 B9R1.84 CC(O)CNC1CCC1 Amb18989413 [0,0,0,1,0,1|1,0,1]=4 9693 B9R1.84 C[C@@H](O)CCC1CCC1 Amb33314114 [0,0,0,1,0,1|1,0,1]=4 9694 B9R1.84 C[C@@H](O)COC1CCC1 Amb27607585 [0,0,0,1,0,1|1,0,1]=4 9695 B9R1.84 C[C@H](O)CCC1CCC1 Amb33195478 [0,0,0,1,0,1|1,0,1]=4 9696 B9R1.84 NC(=O)C#CC1CCC1 Amb27783420 [0,0,0,1,0,1|1,0,1]=4 9697 B9R1.84 NC(=O)CCC1CCC1 Amb27196680 [0,0,0,1,0,1|1,0,0]=3 9698 B9R1.84 NC(=O)CNC1CCC1 Amb18989288 [0,0,0,1,0,1|1,0,0]=3 9699 B9R1.84 NC(=O)CNC1CNC1 Amb27394146 [0,0,0,1,0,1|2,0,0]=4 9700 B9R1.84 NC(=O)CNC1COC1 Amb27837511 [0,0,0,1,0,1|2,0,0]=4 9701 B9R1.84 NC(=O)CNC1CSC1 Amb27837658 [0,0,0,1,0,1|2,0,0]=4 9702 B9R1.84 NC(=O)COC1CNC1 Amb20623915 [0,0,0,1,0,1|2,0,0]=4 9703 B9R1.84 NC(=O)COC1CNC1 Amb22059197 [0,0,0,1,0,1|2,0,0]=4 9704 B9R1.84 NC(=O)COC1CNC1 Amb30585161 [0,0,0,1,0,1|2,0,0]=4 9705 B9R1.84 NC(=O)NCC1CCN1 Amb28052840 [0,0,0,1,0,1|2,0,0]=4 9706 B9R1.84 NC(=O)NCC1CSC1 Amb30037012 [0,0,0,1,0,1|2,0,0]=4 9707 B9R1.84 NC(=O)\C=C\C1CCC1 Amb27615014 [0,0,0,1,0,1|1,0,1]=4 9708 B9R1.84 NC(=S)NCC1CCC1 Amb8929531 [0,0,0,1,0,1|1,1,0]=4 9709 B9R1.84 NS(=O)CCC1CCC1 Amb32720704 [0,0,0,1,0,1|2,0,0]=4 9710 B9R1.84 O=C(Cl)NCC1CCC1 Amb35625731 [0,0,0,1,0,1|1,0,0]=3 9711 B9R1.84 O=C(Cl)NCC1CSC1 Amb35633440 [0,0,0,1,0,1|2,0,0]=4 9712 B9R1.84 O=C(Cl)OCC1CCC1 Amb24551352 [0,0,0,1,0,1|1,0,0]=3 9713 B9R1.84 O=C(Cl)OCC1COC1 Amb33297065 [0,0,0,1,0,1|2,0,0]=4 9714 B9R1.84 O=C(O)C#CC1CCC1 Amb26413119 [0,0,0,1,0,1|0,0,1]=3 9715 B9R1.84 O=C(O)C#CC1CCN1 Amb33168952 [0,0,0,1,0,1|1,0,1]=4 9716 B9R1.84 O=C(O)C#CC1CNC1 Amb32656048 [0,0,0,1,0,1|1,0,1]=4 9717 B9R1.84 O=C(O)C#CC1CNC1 Amb33299377 [0,0,0,1,0,1|1,0,1]=4 9718 B9R1.84 O=C(O)C#CC1COC1 Amb33169027 [0,0,0,1,0,1|1,0,1]=4 9719 B9R1.84 O=C(O)CCC1CCC1 Amb8011305 [0,0,0,1,0,1|0,0,0]=2 9720 B9R1.84 O=C(O)CCC1CCO1 Amb28280741 [0,0,0,1,0,1|1,0,0]=3 9721 B9R1.84 O=C(O)CCN1CCC1 Amb22292346 [0,0,0,1,0,1|1,0,0]=3 9722 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [0,0,0,1,0,1|1,0,0]=3 9723 B9R1.84 O=C(O)CN=C1CCC1 Amb28121224 [0,0,0,1,0,1|0,0,1]=3 9724 B9R1.84 O=C(O)CNC1CCC1 Amb18982434 [0,0,0,1,0,1|0,0,0]=2 9725 B9R1.84 O=C(O)CNC1COC1 Amb22737320 [0,0,0,1,0,1|1,0,0]=3 9726 B9R1.84 O=C(O)CNC1CSC1 Amb27186145 [0,0,0,1,0,1|1,0,0]=3 9727 B9R1.84 O=C(O)COC1CCC1 Amb18295877 [0,0,0,1,0,1|0,0,0]=2 9728 B9R1.84 O=C(O)COC1CNC1 Amb24454311 [0,0,0,1,0,1|1,0,0]=3 9729 B9R1.84 O=C(O)COC1CNC1 Amb28555348 [0,0,0,1,0,1|1,0,0]=3 9730 B9R1.84 O=C(O)COC1CNC1 Amb32665028 [0,0,0,1,0,1|1,0,0]=3 9731 B9R1.84 O=C(O)COC1COC1 Amb24539538 [0,0,0,1,0,1|1,0,0]=3 9732 B9R1.84 O=C(O)CSC1COC1 Amb27589904 [0,0,0,1,0,1|1,0,0]=3 9733 B9R1.84 O=C(O)\C=C\C1CCC1 Amb20624021 [0,0,0,1,0,1|0,0,1]=3 9734 B9R1.84 O=C(O)\C=C\N1CCC1 Amb27494371 [0,0,0,1,0,1|1,0,1]=4 9735 B9R1.84 O=C([O-])CCC1CCO1 Amb32663662 [0,0,0,1,0,1|1,0,1]=4 9736 B9R1.84 O=C([O-])COC1COC1 Amb33744117 [0,0,0,1,0,1|1,0,1]=4 9737 B9R1.84 O=S(Cl)CCC1CCC1 Amb25179912 [0,0,0,1,0,1|2,0,0]=4 9738 B9R1.84 O=S([O-])CCC1CCC1 Amb26425804 [0,0,0,1,0,1|1,0,1]=4 9739 B9R1.84 O=[N+]([O-])CCC1CCC1 Amb15692934 [0,0,0,1,0,1|1,0,1]=4 9740 B9R1.86 CCC1CC1CC(=O)O Amb27249848 [0,0,0,1,0,1|0,0,0]=2 9741 B9R1.86 CCC1CC1NC(=O)Cl Amb35633240 [0,0,0,1,0,1|1,0,0]=3 9742 B9R1.86 CC[C@@H]1C[C@H]1NC(C)=O Amb28190147 [0,0,0,1,0,1|1,0,0]=3 9743 B9R1.86 CC[C@@H]1C[C@H]1NC(N)=O Amb28455899 [0,0,0,1,0,1|1,0,0]=3 9744 B9R1.86 CC[C@@H]1C[C@H]1\N=C(/C)N Amb27483213 [0,0,0,1,0,1|2,0,0]=4 9745 B9R1.86 NC(=O)NC1CC1CO Amb27424914 [0,0,0,1,0,1|2,0,0]=4 9746 B9R1.86 NC(=O)N[C@@H]1C[C@H]1CO Amb27231937 [0,0,0,1,0,1|2,0,0]=4 9747 B9R1.86 O=C(O)CC1CC1CF Amb27237859 [0,0,0,1,0,1|1,0,0]=3 9748 B9R1.95 C#CC1CC(C(=O)O)C1 Amb27168169 [0,0,0,1,0,1|0,0,2]=4 9749 B9R1.95 CC(=O)N1CC(CBr)C1 Amb27813085 [0,0,0,1,0,1|2,0,0]=4 9750 B9R1.95 CC(=O)N1CC(CN)C1 Amb28436806 [0,0,0,1,0,1|2,0,0]=4 9751 B9R1.95 CC(=O)N1CC(CN)C1 Amb33463045 [0,0,0,1,0,1|2,0,0]=4 9752 B9R1.95 CC(=O)N1CC(CO)C1 Amb26549681 [0,0,0,1,0,1|2,0,0]=4 9753 B9R1.95 CCC1C=C(C(N)=O)C1 Amb28049401 [0,0,0,1,0,1|1,0,1]=4 9754 B9R1.95 CCC1CC(C(=O)Cl)C1 Amb25791521 [0,0,0,1,0,1|1,0,0]=3 9755 B9R1.95 CCC1CC(C(=O)O)C1 Amb23456004 [0,0,0,1,0,1|0,0,0]=2 9756 B9R1.95 CCC1CN(C(=N)N)C1 Amb35667891 [0,0,0,1,0,1|2,0,0]=4 9757 B9R1.95 CCC1CN(C(=O)Cl)C1 Amb35667759 [0,0,0,1,0,1|1,0,0]=3 9758 B9R1.95 CCC1CN(C(C)=N)C1 Amb30023414 [0,0,0,1,0,1|2,0,0]=4 9759 B9R1.95 CCC1CN(C(C)=O)C1 Amb35645756 [0,0,0,1,0,1|1,0,0]=3 9760 B9R1.95 CCC1CN(C(N)=O)C1 Amb30039311 [0,0,0,1,0,1|1,0,0]=3 9761 B9R1.95 CCC1CN(C(N)=S)C1 Amb30039270 [0,0,0,1,0,1|1,1,0]=4 9762 B9R1.95 CCN1CC(C(=O)O)C1 Amb24117130 [0,0,0,1,0,1|1,0,0]=3 9763 B9R1.95 CC[C@H]1C[C@@H](C(N)=O)C1 Amb27168704 [0,0,0,1,0,1|1,0,0]=3 9764 B9R1.95 CNC1CC(C(=O)O)C1 Amb20622656 [0,0,0,1,0,1|1,0,0]=3 9765 B9R1.95 CNC1CC(C(=O)O)C1 Amb32668940 [0,0,0,1,0,1|1,0,0]=3 9766 B9R1.95 CNC1CC(C(C)=O)C1 Amb30032621 [0,0,0,1,0,1|2,0,0]=4 9767 B9R1.95 CNC1CC(C(N)=O)C1 Amb32670672 [0,0,0,1,0,1|2,0,0]=4 9768 B9R1.95 CNC1CC(C(N)=O)C1 Amb32670673 [0,0,0,1,0,1|2,0,0]=4 9769 B9R1.95 CN[C@H]1C[C@@H](C(=O)O)C1 Amb28903920 [0,0,0,1,0,1|1,0,0]=3 9770 B9R1.95 CN[C@H]1C[C@@H](C(=O)O)C1 Amb32667482 [0,0,0,1,0,1|1,0,0]=3 9771 B9R1.95 CN[C@H]1C[C@@H](C(N)=O)C1 Amb32670695 [0,0,0,1,0,1|2,0,0]=4 9772 B9R1.95 CN[C@H]1C[C@@H](C(N)=O)C1 Amb32670696 [0,0,0,1,0,1|2,0,0]=4 9773 B9R1.95 COC1CC(C(=O)O)C1 Amb8011538 [0,0,0,1,0,1|1,0,0]=3 9774 B9R1.95 COC1CC(C(C)=O)C1 Amb24595933 [0,0,0,1,0,1|2,0,0]=4 9775 B9R1.95 COC1CN(C(=O)Cl)C1 Amb32863915 [0,0,0,1,0,1|2,0,0]=4 9776 B9R1.95 COC1CN(C(N)=O)C1 Amb27656454 [0,0,0,1,0,1|2,0,0]=4 9777 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 Amb23440276 [0,0,0,1,0,1|1,0,0]=3 9778 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 Amb23440277 [0,0,0,1,0,1|1,0,0]=3 9779 B9R1.95 N#CC1CC(C(=O)O)C1 Amb26049887 [0,0,0,1,0,1|1,0,1]=4 9780 B9R1.95 NCC1CC(C(=O)O)C1 Amb26631130 [0,0,0,1,0,1|1,0,0]=3 9781 B9R1.95 NCC1CC(C(=O)O)C1 Amb31307793 [0,0,0,1,0,1|1,0,0]=3 9782 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34136858 [0,0,0,1,0,1|1,0,0]=3 9783 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 Amb34148892 [0,0,0,1,0,1|1,0,0]=3 9784 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 Amb33715808 [0,0,0,1,0,1|1,0,0]=3 9785 B9R1.95 O=C(O)C1CC(CBr)C1 Amb19958667 [0,0,0,1,0,1|1,0,0]=3 9786 B9R1.95 O=C(O)C1CC(CF)C1 Amb27186059 [0,0,0,1,0,1|1,0,0]=3 9787 B9R1.95 O=C(O)C1CC(CO)C1 Amb22002175 [0,0,0,1,0,1|1,0,0]=3 9788 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 Amb34162163 [0,0,0,1,0,1|1,0,0]=3 9789 B9R1.95 O=C[C@H]1C[C@@H](C(=O)O)C1 Amb33309677 [0,0,0,1,0,1|1,0,1]=4 9790 B9R1.125 C=C1COC(C)(CO)O1 Amb27602471 [0,0,0,1,0,1|2,0,0]=4 9791 B9R1.125 C=CC1(C)CCC(=O)O1 Amb29849361 [0,0,0,1,0,1|0,0,2]=4 9792 B9R1.125 CC1(C=O)CCC(=O)O1 Amb28348513 [0,0,0,1,0,1|1,0,1]=4 9793 B9R1.125 CC1(CBr)CNC(=O)C1 Amb32666888 [0,0,0,1,0,1|2,0,0]=4 9794 B9R1.125 CC1(CBr)CNC(=O)O1 Amb24753177 [0,0,0,1,0,1|1,0,0]=3 9795 B9R1.125 CC1(CBr)COC(=O)N1 Amb32656363 [0,0,0,1,0,1|2,0,0]=4 9796 B9R1.125 CC1(CN)CCC(=O)N1 Amb25253003 [0,0,0,1,0,1|2,0,0]=4 9797 B9R1.125 CC1(CN)CCC(=O)N1 Amb28935017 [0,0,0,1,0,1|2,0,0]=4 9798 B9R1.125 CC1(CN)CCC(=O)O1 Amb27815595 [0,0,0,1,0,1|1,0,0]=3 9799 B9R1.125 CC1(CN)CNC(=O)C1 Amb24677517 [0,0,0,1,0,1|2,0,0]=4 9800 B9R1.125 CC1(CN)COC(=O)N1 Amb32676828 [0,0,0,1,0,1|2,0,0]=4 9801 B9R1.125 CC1(CN)COC(=O)N1 Amb32676829 [0,0,0,1,0,1|2,0,0]=4 9802 B9R1.125 CC1(CO)CCC(=O)N1 Amb25796503 [0,0,0,1,0,1|2,0,0]=4 9803 B9R1.125 CC1(CO)CNC(=O)C1 Amb22546426 [0,0,0,1,0,1|2,0,0]=4 9804 B9R1.125 CC1(CO)COC(=O)C1 Amb24748377 [0,0,0,1,0,1|2,0,0]=4 9805 B9R1.125 CC1(CO)COC(=O)N1 Amb4018739 [0,0,0,1,0,1|2,0,0]=4 9806 B9R1.125 CC1(CO)CSC(=O)C1 Amb27594628 [0,0,0,1,0,1|2,0,0]=4 9807 B9R1.125 CCC1(C)CC(=O)CO1 Amb27803429 [0,0,0,1,0,1|1,0,0]=3 9808 B9R1.125 CCC1(C)CC(=O)NN1 Amb35685804 [0,0,0,1,0,1|2,0,0]=4 9809 B9R1.125 CCC1(C)CC(O)CO1 Amb35700515 [0,0,0,1,0,1|1,0,1]=4 9810 B9R1.125 CCC1(C)CN=C(N)O1 Amb28366764 [0,0,0,1,0,1|1,0,0]=3 9811 B9R1.125 CCC1(C)CNC(=O)C1 Amb24655544 [0,0,0,1,0,1|1,0,0]=3 9812 B9R1.125 CCC1(C)COC(N)=N1 Amb24759550 [0,0,0,1,0,1|2,0,0]=4 9813 B9R1.125 CCC1(C)CSC(=O)C1 Amb26406975 [0,0,0,1,0,1|1,0,0]=3 9814 B9R1.125 CCC1(C)N=C(C)CS1 Amb24394922 [0,0,0,1,0,1|2,0,0]=4 9815 B9R1.125 CCC1(C)NCC(=O)N1 Amb27196981 [0,0,0,1,0,1|1,0,0]=3 9816 B9R1.125 CCC1(C)OCC(C)O1 Amb27595059 [0,0,0,1,0,1|1,0,1]=4 9817 B9R1.125 CC[C@]1(C)CCC(=O)C1 Amb27838732 [0,0,0,1,0,1|1,0,0]=3 9818 B9R1.125 C[C@@]1(CCl)CNC(=O)O1 Amb27229268 [0,0,0,1,0,1|1,0,0]=3 9819 B9R1.125 C[C@]1(CO)COC(=O)N1 Amb28194228 [0,0,0,1,0,1|2,0,0]=4 9820 B9R1.127 C#CC1(C)CC1C(=O)O Amb4041187 [0,0,0,1,0,1|0,0,2]=4 9821 B9R1.127 CC(=O)C1OC1(C)CCl Amb24670937 [0,0,0,1,0,1|2,0,0]=4 9822 B9R1.127 CC1(CN)CC1C(=O)O Amb27481579 [0,0,0,1,0,1|1,0,0]=3 9823 B9R1.127 CCC1(C)CC1C(=O)O Amb18285802 [0,0,0,1,0,1|0,0,0]=2 9824 B9R1.133 CCC1CC(C)(O)CO1 Amb35653244 [0,0,0,1,0,1|1,0,1]=4 9825 B9R1.133 CCC1COS(=O)(=O)C1 Amb28251685 [0,0,0,1,0,1|1,0,1]=4 9826 B9R1.133 O=P1(O)CC(CO)CO1 Amb27588943 [0,0,0,1,0,1|2,0,0]=4 9827 B9R1.133 O=P1(O)CCC(CO)C1 Amb27853831 [0,0,0,1,0,1|2,0,0]=4 9828 B9R1.138 CC1OCC(C)(O)C1C Amb29849323 [0,0,0,1,0,1|1,0,1]=4 9829 B9R1.147 CC(=O)CCC1(C)CC1 Amb33314305 [0,0,0,1,0,1|1,0,0]=3 9830 B9R1.147 CC(=O)NCC1(C)CC1 Amb28189735 [0,0,0,1,0,1|1,0,0]=3 9831 B9R1.147 CC(=O)NCC1(N)CC1 Amb33228760 [0,0,0,1,0,1|2,0,0]=4 9832 B9R1.147 CC(=O)OCC1(F)CC1 Amb28291710 [0,0,0,1,0,1|2,0,0]=4 9833 B9R1.147 CC(=O)SCC1(C)CC1 Amb28120147 [0,0,0,1,0,1|1,0,0]=3 9834 B9R1.147 CC(=O)\C=C\C1(C)CC1 Amb33079784 [0,0,0,1,0,1|1,0,1]=4 9835 B9R1.147 CC(O)CCC1(C)CC1 Amb33313079 [0,0,0,1,0,1|1,0,1]=4 9836 B9R1.147 CC1(C#CC(=O)O)CC1 Amb25662631 [0,0,0,1,0,1|0,0,1]=3 9837 B9R1.147 CC1(CCC(=O)O)CC1 Amb8009614 [0,0,0,1,0,1|0,0,0]=2 9838 B9R1.147 CC1(CCC(=O)O)N=N1 Amb25840850 [0,0,0,1,0,1|2,0,0]=4 9839 B9R1.147 CC1(CCS(=O)Cl)CC1 Amb32720683 [0,0,0,1,0,1|2,0,0]=4 9840 B9R1.147 CC1(CCS(=O)[O-])CC1 Amb32754822 [0,0,0,1,0,1|1,0,1]=4 9841 B9R1.147 CC1(CCS(N)=O)CC1 Amb32720684 [0,0,0,1,0,1|2,0,0]=4 9842 B9R1.147 CC1(CC[N+](=O)[O-])CC1 Amb33312920 [0,0,0,1,0,1|1,0,1]=4 9843 B9R1.147 CC1(CNC(=O)Cl)CC1 Amb35633322 [0,0,0,1,0,1|1,0,0]=3 9844 B9R1.147 CC1(NCC(=O)O)CC1 Amb27444501 [0,0,0,1,0,1|0,0,0]=2 9845 B9R1.147 CC1(NCC(N)=O)CC1 Amb27974935 [0,0,0,1,0,1|1,0,0]=3 9846 B9R1.147 CC1(OCC(=O)O)CC1 Amb26056469 [0,0,0,1,0,1|0,0,0]=2 9847 B9R1.147 CC1(\C=C\C(=O)O)CC1 Amb33313120 [0,0,0,1,0,1|0,0,1]=3 9848 B9R1.147 C[C@@H](O)CCC1(C)CC1 Amb33310957 [0,0,0,1,0,1|1,0,1]=4 9849 B9R1.147 C[C@@H](O)CNC1(C)CC1 Amb27632726 [0,0,0,1,0,1|1,0,1]=4 9850 B9R1.147 C[C@H](O)CCC1(C)CC1 Amb33311525 [0,0,0,1,0,1|1,0,1]=4 9851 B9R1.147 C[C@H](O)CNC1(C)CC1 Amb27437219 [0,0,0,1,0,1|1,0,1]=4 9852 B9R1.147 NC1(CCC(=O)O)CC1 Amb18832570 [0,0,0,1,0,1|1,0,0]=3 9853 B9R1.147 O=C(O)CCC1(Cl)CC1 Amb25865061 [0,0,0,1,0,1|1,0,0]=3 9854 B9R1.147 O=C(O)CCC1(F)CC1 Amb27423404 [0,0,0,1,0,1|1,0,0]=3 9855 B9R1.147 O=C(O)CCC1(O)CC1 Amb28325490 [0,0,0,1,0,1|1,0,0]=3 9856 B9R1.3 C=C1C(=O)CCC[C@@H]1C Amb27838735 [0,1,0,1,0,0|1,0,1]=4 9857 B9R1.3 C=C1CCCC(C)C1C Amb27262099 [0,1,0,1,0,0|2,0,0]=4 9858 B9R1.3 C=C1CCCC(C)C1O Amb27207403 [0,1,0,1,0,0|2,0,0]=4 9859 B9R1.3 CC1=CCC[C@@H](C)C1Br Amb27407012 [0,1,0,1,0,0|2,0,0]=4 9860 B9R1.3 CC1C(=O)CCCN1C Amb28253362 [0,1,0,1,0,0|2,0,0]=4 9861 B9R1.3 CC1C(=O)CCC[C@H]1C Amb27951545 [0,1,0,1,0,0|1,0,0]=3 9862 B9R1.3 CC1C(=O)NCCC1O Amb27836723 [0,1,0,1,0,0|2,0,0]=4 9863 B9R1.3 CC1C(=O)NCCN1C Amb19723393 [0,1,0,1,0,0|2,0,0]=4 9864 B9R1.3 CC1CC=CC(=O)C1C Amb27838646 [0,1,0,1,0,0|1,0,1]=4 9865 B9R1.3 CC1CCCC(=O)C1Br Amb24355950 [0,1,0,1,0,0|1,0,0]=3 9866 B9R1.3 CC1CCCC(=O)C1C Amb27593439 [0,1,0,1,0,0|1,0,0]=3 9867 B9R1.3 CC1CCCC(=O)C1F Amb28381160 [0,1,0,1,0,0|1,0,0]=3 9868 B9R1.3 CC1CCCC(=O)C1O Amb27838796 [0,1,0,1,0,0|1,0,0]=3 9869 B9R1.3 CC1CCCC(O)C1C Amb9825841 [0,1,0,1,0,0|1,0,1]=4 9870 B9R1.3 CC1CCC[C@@H](O)[C@@H]1N Amb27636307 [0,1,0,1,0,0|1,0,1]=4 9871 B9R1.3 CC1CCC[C@@H](O)[C@@H]1O Amb28318183 [0,1,0,1,0,0|1,0,1]=4 9872 B9R1.3 CC1CCC[C@H](O)[C@@H]1O Amb27844355 [0,1,0,1,0,0|1,0,1]=4 9873 B9R1.3 CC1CCNC(=O)C1Br Amb27658951 [0,1,0,1,0,0|1,0,0]=3 9874 B9R1.3 CC1CCNC(=O)C1N Amb22229171 [0,1,0,1,0,0|1,0,0]=3 9875 B9R1.3 CC1NCCC(=O)C1C Amb18642528 [0,1,0,1,0,0|2,0,0]=4 9876 B9R1.3 CC1NCNC(=O)C1Cl Amb27264908 [0,1,0,1,0,0|2,0,0]=4 9877 B9R1.3 CC1OCCC(=O)C1C Amb33715158 [0,1,0,1,0,0|2,0,0]=4 9878 B9R1.3 C[C@@H]1C(=O)C=CC[C@H]1C Amb28054028 [0,1,0,1,0,0|1,0,1]=4 9879 B9R1.3 C[C@@H]1C(=O)CCC[C@@H]1N Amb27818101 [0,1,0,1,0,0|2,0,0]=4 9880 B9R1.3 C[C@@H]1C(O)CCC[C@H]1C Amb27451971 [0,1,0,1,0,0|1,0,1]=4 9881 B9R1.3 C[C@@H]1CCCC(=O)C1F Amb27802756 [0,1,0,1,0,0|1,0,0]=3 9882 B9R1.3 C[C@@H]1CCCC(=O)[C@H]1F Amb28324355 [0,1,0,1,0,0|1,0,0]=3 9883 B9R1.3 C[C@@H]1CCCC(O)[C@@H]1C Amb27664284 [0,1,0,1,0,0|1,0,1]=4 9884 B9R1.3 C[C@@H]1CCC[C@@H](O)[C@@H]1C Amb27876256 [0,1,0,1,0,0|1,0,1]=4 9885 B9R1.3 C[C@@H]1CCC[C@@H](O)[C@@H]1O Amb28320895 [0,1,0,1,0,0|1,0,1]=4 9886 B9R1.3 C[C@@H]1CCC[C@H](O)C1O Amb27198139 [0,1,0,1,0,0|1,0,1]=4 9887 B9R1.3 C[C@@H]1CCOC(=O)[C@H]1O Amb27197166 [0,1,0,1,0,0|0,0,0]=2 9888 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Amb27967343 [0,1,0,1,0,0|2,0,0]=4 9889 B9R1.3 C[C@H]1CC=CC(=O)[C@H]1C Amb27441720 [0,1,0,1,0,0|1,0,1]=4 9890 B9R1.3 C[C@H]1CCCC(=O)[C@@H]1C Amb27432624 [0,1,0,1,0,0|1,0,0]=3 9891 B9R1.3 C[C@H]1CCC[C@@H](O)[C@@H]1O Amb27186925 [0,1,0,1,0,0|1,0,1]=4 9892 B9R1.3 C[C@H]1CCC[C@@H](O)[C@H]1C Amb27980719 [0,1,0,1,0,0|1,0,1]=4 9893 B9R1.3 C[C@H]1CCC[C@@H](O)[C@H]1O Amb27647956 [0,1,0,1,0,0|1,0,1]=4 9894 B9R1.3 C[C@H]1CCC[C@H](O)[C@@H]1O Amb27844257 [0,1,0,1,0,0|1,0,1]=4 9895 B9R1.3 C[C@H]1CCOC(=O)[C@@H]1O Amb27196773 [0,1,0,1,0,0|0,0,0]=2 9896 B9R1.3 O=C1CCCC(Br)C1O Amb27858762 [0,1,0,1,0,0|2,0,0]=4 9897 B9R1.3 O=C1CCCC(Cl)C1Br Amb26624735 [0,1,0,1,0,0|2,0,0]=4 9898 B9R1.3 O=C1CCCC(F)C1Br Amb25840986 [0,1,0,1,0,0|2,0,0]=4 9899 B9R1.3 O=C1CCC[C@H](Br)[C@@H]1O Amb27974655 [0,1,0,1,0,0|2,0,0]=4 9900 B9R1.3 O=C1NCC[C@@H](O)[C@@H]1O Amb28057700 [0,1,0,1,0,0|2,0,0]=4 9901 B9R1.3 O=C1NCC[C@H](O)[C@@H]1O Amb27202725 [0,1,0,1,0,0|2,0,0]=4 9902 B9R1.37 C=C1C(=O)OC(C)C1O Amb28315459 [0,1,0,1,0,0|1,0,1]=4 9903 B9R1.37 CC1=C(C)C(C)OC1=O Amb21926616 [0,1,0,1,0,0|0,0,2]=4 9904 B9R1.37 CC1=C(O)C(=O)CC1C Amb26593809 [0,1,0,1,0,0|0,0,1]=3 9905 B9R1.37 CC1=C(O)C(=O)CC1O Amb28315501 [0,1,0,1,0,0|1,0,1]=4 9906 B9R1.37 CC1=C(O)C(=O)OC1C Amb8393149 [0,1,0,1,0,0|0,0,2]=4 9907 B9R1.37 CC1=CC(=O)C(C)C1C Amb27432608 [0,1,0,1,0,0|1,0,1]=4 9908 B9R1.37 CC1=CC(=O)C(Cl)C1C Amb28454463 [0,1,0,1,0,0|1,0,1]=4 9909 B9R1.37 CC1=NC(=O)C(C)C1C Amb24353879 [0,1,0,1,0,0|1,0,1]=4 9910 B9R1.37 CC1C(=O)CC(O)C1C Amb27838809 [0,1,0,1,0,0|2,0,0]=4 9911 B9R1.37 CC1C(=O)OC(=O)C1C Amb27266073 [0,1,0,1,0,0|1,0,1]=4 9912 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [0,1,0,1,0,0|1,0,1]=4 9913 B9R1.37 CC1C(O)CC(=O)N1C Amb26503754 [0,1,0,1,0,0|2,0,0]=4 9914 B9R1.37 CC1CC(=O)C(=O)C1C Amb8514920 [0,1,0,1,0,0|0,0,1]=3 9915 B9R1.37 CC1CC(=O)C(O)=C1O Amb27153105 [0,1,0,1,0,0|1,0,1]=4 9916 B9R1.37 CC1CC(=O)N(C)C1O Amb28051854 [0,1,0,1,0,0|2,0,0]=4 9917 B9R1.37 CC1CN(O)C(=O)C1N Amb25888759 [0,1,0,1,0,0|2,0,0]=4 9918 B9R1.37 CC1NC(=O)C(C)C1C Amb25888744 [0,1,0,1,0,0|1,0,0]=3 9919 B9R1.37 CC1OC(=O)C(=O)C1C Amb24360322 [0,1,0,1,0,0|0,0,1]=3 9920 B9R1.37 CC1OC(=O)C(Br)C1=O Amb27401885 [0,1,0,1,0,0|1,0,1]=4 9921 B9R1.37 CC1OC(=O)C(N)C1C Amb27424680 [0,1,0,1,0,0|0,0,0]=2 9922 B9R1.37 CC1OC(=O)C(O)C1=O Amb27222152 [0,1,0,1,0,0|1,0,1]=4 9923 B9R1.37 CC1OC(=O)C(O)C1Br Amb27966842 [0,1,0,1,0,0|1,0,0]=3 9924 B9R1.37 CC1OC(=O)C(O)C1I Amb27253078 [0,1,0,1,0,0|1,0,0]=3 9925 B9R1.37 CC1OC(C)C(Br)C1C Amb32655341 [0,1,0,1,0,0|1,0,1]=4 9926 B9R1.37 CC1OC(C)C(Cl)C1C Amb32655338 [0,1,0,1,0,0|1,0,1]=4 9927 B9R1.37 CC1OC(C)C(N)C1C Amb26032854 [0,1,0,1,0,0|1,0,1]=4 9928 B9R1.37 CC1OC(C)C(N)C1C Amb28555346 [0,1,0,1,0,0|1,0,1]=4 9929 B9R1.37 CC1OC(C)C(O)C1C Amb28205963 [0,1,0,1,0,0|1,0,1]=4 9930 B9R1.37 CC1OC(O)C(O)C1C Amb27956542 [0,1,0,1,0,0|0,0,2]=4 9931 B9R1.37 C[C@@H]1C(=O)C[C@@H](O)[C@H]1C Amb27199145 [0,1,0,1,0,0|2,0,0]=4 9932 B9R1.37 C[C@@H]1CC(=O)N(C)[C@@H]1O Amb27484603 [0,1,0,1,0,0|2,0,0]=4 9933 B9R1.37 C[C@@H]1CN(O)C(=O)[C@@H]1N Amb30588539 [0,1,0,1,0,0|2,0,0]=4 9934 B9R1.37 C[C@@H]1CN(O)C(=O)[C@@H]1N Amb30640026 [0,1,0,1,0,0|2,0,0]=4 9935 B9R1.37 C[C@@H]1NC(=O)[C@H](C)[C@H]1C Amb28429823 [0,1,0,1,0,0|1,0,0]=3 9936 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@@H]1C Amb27203003 [0,1,0,1,0,0|0,0,0]=2 9937 B9R1.37 C[C@@H]1OC(=O)[C@@H](N)[C@H]1C Amb25946352 [0,1,0,1,0,0|0,0,0]=2 9938 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27857584 [0,1,0,1,0,0|1,0,0]=3 9939 B9R1.37 C[C@@H]1OC(=O)[C@H](N)[C@@H]1C Amb27961355 [0,1,0,1,0,0|0,0,0]=2 9940 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [0,1,0,1,0,0|1,0,0]=3 9941 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1I Amb2612169 [0,1,0,1,0,0|1,0,0]=3 9942 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [0,1,0,1,0,0|1,0,0]=3 9943 B9R1.37 C[C@@H]1OC(O)[C@@H](O)[C@H]1C Amb27218953 [0,1,0,1,0,0|0,0,2]=4 9944 B9R1.37 C[C@@H]1OC(O)[C@H](O)[C@@H]1C Amb27220600 [0,1,0,1,0,0|0,0,2]=4 9945 B9R1.37 C[C@H]1C(=O)CC(=O)[C@H]1O Amb28074639 [0,1,0,1,0,0|1,0,1]=4 9946 B9R1.37 C[C@H]1CN(O)C(=O)[C@@H]1N Amb24587752 [0,1,0,1,0,0|2,0,0]=4 9947 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N Amb27215974 [0,1,0,1,0,0|2,0,0]=4 9948 B9R1.37 C[C@H]1NC(=O)[C@H](C)[C@H]1C Amb28058295 [0,1,0,1,0,0|1,0,0]=3 9949 B9R1.37 C[C@H]1OC(=N)[C@@H](O)[C@H]1O Amb27775523 [0,1,0,1,0,0|2,0,0]=4 9950 B9R1.37 C[C@H]1OC(=N)[C@H](O)[C@H]1O Amb27775524 [0,1,0,1,0,0|2,0,0]=4 9951 B9R1.37 C[C@H]1OC(=O)C(Br)C1=O Amb27865464 [0,1,0,1,0,0|1,0,1]=4 9952 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27438513 [0,1,0,1,0,0|1,0,0]=3 9953 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27640250 [0,1,0,1,0,0|1,0,0]=3 9954 B9R1.37 C[C@H]1OC(=O)[C@H](N)[C@H]1C Amb27421606 [0,1,0,1,0,0|0,0,0]=2 9955 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27642097 [0,1,0,1,0,0|1,0,0]=3 9956 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27432207 [0,1,0,1,0,0|1,0,0]=3 9957 B9R1.37 C[C@H]1[C@H](N)C(=O)O[C@@H]1C Amb26415247 [0,1,0,1,0,0|0,0,0]=2 9958 B9R1.37 O=C1CC(O)C(O)C1O Amb28054442 [0,1,0,1,0,0|2,0,0]=4 9959 B9R1.37 O=C1OC(O)C(Br)C1Br Amb21811590 [0,1,0,1,0,0|2,0,0]=4 9960 B9R1.37 O=C1OC(O)C(O)C1O Amb24419120 [0,1,0,1,0,0|2,0,0]=4 9961 B9R1.41 C=C(C)[C@H]1CNC[C@H]1C Amb28423409 [0,1,0,1,0,0|2,0,0]=4 9962 B9R1.41 CC(=O)C1=CCC[C@@H]1C Amb27668819 [0,1,0,1,0,0|1,0,1]=4 9963 B9R1.41 CC(=O)C1CCC=C1C Amb26053403 [0,1,0,1,0,0|1,0,1]=4 9964 B9R1.41 CC(=O)C1CCCC1N Amb26959185 [0,1,0,1,0,0|2,0,0]=4 9965 B9R1.41 CC(=O)C1CCCC1O Amb25086736 [0,1,0,1,0,0|2,0,0]=4 9966 B9R1.41 CC(=O)C1CCCN1C Amb25295317 [0,1,0,1,0,0|2,0,0]=4 9967 B9R1.41 CC(=O)C1CCNC1C Amb24393053 [0,1,0,1,0,0|1,0,0]=3 9968 B9R1.41 CC(=O)C1CCOC1C Amb25882003 [0,1,0,1,0,0|1,0,0]=3 9969 B9R1.41 CC(=O)C1CNCC1C Amb28346154 [0,1,0,1,0,0|1,0,0]=3 9970 B9R1.41 CC(=O)C1CNCC1O Amb33213407 [0,1,0,1,0,0|2,0,0]=4 9971 B9R1.41 CC(=O)C1COCC1N Amb25918760 [0,1,0,1,0,0|2,0,0]=4 9972 B9R1.41 CC(=O)C1COCC1O Amb32951053 [0,1,0,1,0,0|2,0,0]=4 9973 B9R1.41 CC(=O)C1CSCC1C Amb32988245 [0,1,0,1,0,0|1,0,0]=3 9974 B9R1.41 CC(=O)C1OCCC1N Amb33307372 [0,1,0,1,0,0|2,0,0]=4 9975 B9R1.41 CC(=O)N1CCCC1C Amb26494370 [0,1,0,1,0,0|2,0,0]=4 9976 B9R1.41 CC(=O)[C@@H]1CCC[C@@H]1N Amb33132196 [0,1,0,1,0,0|2,0,0]=4 9977 B9R1.41 CC(=O)[C@@H]1CCC[C@H]1C Amb24692616 [0,1,0,1,0,0|1,0,0]=3 9978 B9R1.41 CC(=O)[C@@H]1CCC[C@H]1O Amb27440450 [0,1,0,1,0,0|2,0,0]=4 9979 B9R1.41 CC(=O)[C@@H]1CNC[C@H]1O Amb32945575 [0,1,0,1,0,0|2,0,0]=4 9980 B9R1.41 CC(=O)[C@@H]1COC[C@H]1O Amb32951076 [0,1,0,1,0,0|2,0,0]=4 9981 B9R1.41 CC(=O)[C@@H]1OCC[C@@H]1N Amb33307350 [0,1,0,1,0,0|2,0,0]=4 9982 B9R1.41 CC(=O)[C@H]1CCC[C@H]1C Amb27428390 [0,1,0,1,0,0|1,0,0]=3 9983 B9R1.41 CC(O)C1CCNC1C Amb35584409 [0,1,0,1,0,0|1,0,1]=4 9984 B9R1.41 CC(O)C1CNCC1C Amb29849500 [0,1,0,1,0,0|1,0,1]=4 9985 B9R1.41 CC(O)C1COCC1C Amb35651587 [0,1,0,1,0,0|1,0,1]=4 9986 B9R1.41 CC1=C(C(=O)O)CCC1 Amb4021851 [0,1,0,1,0,0|0,0,2]=4 9987 B9R1.41 CC1=C(C(=O)O)CCN1 Amb32672006 [0,1,0,1,0,0|0,0,2]=4 9988 B9R1.41 CC1=C(C(=O)O)CCO1 Amb26326654 [0,1,0,1,0,0|0,0,2]=4 9989 B9R1.41 CC1=C(C(=O)O)CCS1 Amb24750254 [0,1,0,1,0,0|0,0,2]=4 9990 B9R1.41 CC1=C(C(=O)O)CNC1 Amb28188857 [0,1,0,1,0,0|0,0,2]=4 9991 B9R1.41 CC1CCCC1B(O)O Amb27244083 [0,1,0,1,0,0|1,0,1]=4 9992 B9R1.41 CC1CCCC1C(=N)N Amb28286052 [0,1,0,1,0,0|2,0,0]=4 9993 B9R1.41 CC1CCCC1C(=O)Cl Amb26447682 [0,1,0,1,0,0|1,0,0]=3 9994 B9R1.41 CC1CCCC1C(=O)O Amb8496598 [0,1,0,1,0,0|0,0,0]=2 9995 B9R1.41 CC1CCCC1[C@@H](C)O Amb28322680 [0,1,0,1,0,0|1,0,1]=4 9996 B9R1.41 CC1CCCN1C(=O)Cl Amb25131803 [0,1,0,1,0,0|2,0,0]=4 9997 B9R1.41 CC1CCNC1C(=O)O Amb22496299 [0,1,0,1,0,0|0,0,0]=2 9998 B9R1.41 CC1CCNC1C(=O)O Amb28895929 [0,1,0,1,0,0|0,0,0]=2 9999 B9R1.41 CC1CCNC1C(N)=O Amb26893292 [0,1,0,1,0,0|1,0,0]=3 10000 B9R1.41 CC1CCNC1C(N)=O Amb33307145 [0,1,0,1,0,0|1,0,0]=3 10001 B9R1.41 CC1CCN[C@@H]1C(=O)O Amb25786199 [0,1,0,1,0,0|0,0,0]=2 10002 B9R1.41 CC1CCOC1C(=O)O Amb20668280 [0,1,0,1,0,0|0,0,0]=2 10003 B9R1.41 CC1CCSC1C(=O)O Amb33038449 [0,1,0,1,0,0|0,0,0]=2 10004 B9R1.41 CC1CNCC1C(=O)O Amb2695368 [0,1,0,1,0,0|0,0,0]=2 10005 B9R1.41 CC1CNCC1C(=O)O Amb32665482 [0,1,0,1,0,0|0,0,0]=2 10006 B9R1.41 CC1CNCC1C(N)=O Amb26454427 [0,1,0,1,0,0|1,0,0]=3 10007 B9R1.41 CC1CNCC1C(N)=O Amb32663022 [0,1,0,1,0,0|1,0,0]=3 10008 B9R1.41 CC1NCC=C1C(=O)O Amb27603549 [0,1,0,1,0,0|0,0,2]=4 10009 B9R1.41 CC1NCCC1C(=O)O Amb18118138 [0,1,0,1,0,0|0,0,0]=2 10010 B9R1.41 CC1NCCC1C(=O)O Amb28555367 [0,1,0,1,0,0|0,0,0]=2 10011 B9R1.41 CC1OCCC1C(=N)N Amb33373407 [0,1,0,1,0,0|2,0,0]=4 10012 B9R1.41 CC1OCCC1C(=O)O Amb33548509 [0,1,0,1,0,0|0,0,0]=2 10013 B9R1.41 CC1OCCC1C(N)=S Amb33426764 [0,1,0,1,0,0|1,1,0]=4 10014 B9R1.41 CC1OCCC1S(=O)Cl Amb32720567 [0,1,0,1,0,0|2,0,0]=4 10015 B9R1.41 CC1OCCC1S(=O)[O-] Amb32754408 [0,1,0,1,0,0|1,0,1]=4 10016 B9R1.41 CC1OCCC1S(C)=O Amb27608130 [0,1,0,1,0,0|2,0,0]=4 10017 B9R1.41 CC1OCCC1S(N)=O Amb32720592 [0,1,0,1,0,0|2,0,0]=4 10018 B9R1.41 CC1OCCC1[C@@H](C)O Amb33427681 [0,1,0,1,0,0|1,0,1]=4 10019 B9R1.41 CC1OCCC1[C@H](C)O Amb33225339 [0,1,0,1,0,0|1,0,1]=4 10020 B9R1.41 CC1OCOC1C(=O)O Amb27828880 [0,1,0,1,0,0|1,0,0]=3 10021 B9R1.41 CC1SCCC1[N+](=O)[O-] Amb33298248 [0,1,0,1,0,0|1,0,1]=4 10022 B9R1.41 CC1SCNC1C(=O)O Amb27591597 [0,1,0,1,0,0|1,0,0]=3 10023 B9R1.41 CN1CC=CC1C(=O)O Amb15701264 [0,1,0,1,0,0|1,0,1]=4 10024 B9R1.41 CN1CC=CC1C(=O)O Amb22587153 [0,1,0,1,0,0|1,0,1]=4 10025 B9R1.41 CN1CCCC1C(=O)Cl Amb25250467 [0,1,0,1,0,0|2,0,0]=4 10026 B9R1.41 CN1CCCC1C(=O)O Amb33545070 [0,1,0,1,0,0|1,0,0]=3 10027 B9R1.41 CN1CCCC1C(=O)O Amb8559038 [0,1,0,1,0,0|1,0,0]=3 10028 B9R1.41 CN1CCCC1C(N)=O Amb22371060 [0,1,0,1,0,0|2,0,0]=4 10029 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb17935722 [0,1,0,1,0,0|1,0,0]=3 10030 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb18559228 [0,1,0,1,0,0|1,0,0]=3 10031 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb22748316 [0,1,0,1,0,0|1,0,0]=3 10032 B9R1.41 CN1CCC[C@H]1C(=O)O Amb10604041 [0,1,0,1,0,0|1,0,0]=3 10033 B9R1.41 CN1CCC[C@H]1C(=O)O Amb22587172 [0,1,0,1,0,0|1,0,0]=3 10034 B9R1.41 CN1CCC[C@H]1C(=O)O Amb9825903 [0,1,0,1,0,0|1,0,0]=3 10035 B9R1.41 CN1CCC[C@H]1C(N)=O Amb28059484 [0,1,0,1,0,0|2,0,0]=4 10036 B9R1.41 CN1CSCC1C(=O)O Amb19650934 [0,1,0,1,0,0|1,0,0]=3 10037 B9R1.41 CN1CSCC1C(=O)O Amb21959971 [0,1,0,1,0,0|1,0,0]=3 10038 B9R1.41 CN1CSC[C@@H]1C(=O)O Amb27157377 [0,1,0,1,0,0|1,0,0]=3 10039 B9R1.41 CN1CSC[C@H]1C(=O)O Amb10608462 [0,1,0,1,0,0|1,0,0]=3 10040 B9R1.41 CN1CSC[C@H]1C(=O)O Amb22587250 [0,1,0,1,0,0|1,0,0]=3 10041 B9R1.41 C[C@@H]1CCCC1C(=O)O Amb27167847 [0,1,0,1,0,0|0,0,0]=2 10042 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [0,1,0,1,0,0|0,0,0]=2 10043 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [0,1,0,1,0,0|0,0,0]=2 10044 B9R1.41 C[C@@H]1CCN[C@@H]1C(N)=O Amb27446302 [0,1,0,1,0,0|1,0,0]=3 10045 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O Amb22747259 [0,1,0,1,0,0|0,0,0]=2 10046 B9R1.41 C[C@@H]1CCO[C@@H]1C(=O)O Amb25251332 [0,1,0,1,0,0|0,0,0]=2 10047 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O Amb34916171 [0,1,0,1,0,0|0,0,0]=2 10048 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O Amb27440055 [0,1,0,1,0,0|0,0,0]=2 10049 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O Amb26442159 [0,1,0,1,0,0|0,0,0]=2 10050 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O Amb32664837 [0,1,0,1,0,0|0,0,0]=2 10051 B9R1.41 C[C@@H]1CNC[C@H]1C(N)=O Amb25319543 [0,1,0,1,0,0|1,0,0]=3 10052 B9R1.41 C[C@@H]1CNC[C@H]1C(N)=O Amb26066427 [0,1,0,1,0,0|1,0,0]=3 10053 B9R1.41 C[C@@H]1COC[C@H]1C(=O)O Amb28286229 [0,1,0,1,0,0|0,0,0]=2 10054 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O Amb27969130 [0,1,0,1,0,0|0,0,0]=2 10055 B9R1.41 C[C@@H]1NCC[C@@H]1C(N)=O Amb27851822 [0,1,0,1,0,0|1,0,0]=3 10056 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O Amb18832568 [0,1,0,1,0,0|0,0,0]=2 10057 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O Amb22886528 [0,1,0,1,0,0|0,0,0]=2 10058 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O Amb25992190 [0,1,0,1,0,0|0,0,0]=2 10059 B9R1.41 C[C@H]1CCC[C@@H]1B(O)O Amb24566352 [0,1,0,1,0,0|1,0,1]=4 10060 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [0,1,0,1,0,0|0,0,0]=2 10061 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [0,1,0,1,0,0|0,0,0]=2 10062 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O Amb8387164 [0,1,0,1,0,0|0,0,0]=2 10063 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Amb27217270 [0,1,0,1,0,0|0,0,0]=2 10064 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O Amb27655604 [0,1,0,1,0,0|0,0,0]=2 10065 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O Amb25253338 [0,1,0,1,0,0|0,0,0]=2 10066 B9R1.41 C[C@H]1OCNC1C(=O)O Amb28057581 [0,1,0,1,0,0|1,0,0]=3 10067 B9R1.41 C[C@H]1OCN[C@@H]1C(=O)O Amb27782646 [0,1,0,1,0,0|1,0,0]=3 10068 B9R1.41 C[C@H]1OCO[C@@H]1C(=O)O Amb27782406 [0,1,0,1,0,0|1,0,0]=3 10069 B9R1.41 NC(=O)C1CCCC1N Amb19148786 [0,1,0,1,0,0|2,0,0]=4 10070 B9R1.41 NC(=O)C1CCCC1N Amb32644747 [0,1,0,1,0,0|2,0,0]=4 10071 B9R1.41 NC(=O)C1CCCC1N Amb32662680 [0,1,0,1,0,0|2,0,0]=4 10072 B9R1.41 NC(=O)C1CCCC1O Amb25310986 [0,1,0,1,0,0|2,0,0]=4 10073 B9R1.41 NC(=O)C1NCCC1O Amb24709283 [0,1,0,1,0,0|2,0,0]=4 10074 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N Amb8515831 [0,1,0,1,0,0|2,0,0]=4 10075 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O Amb8515027 [0,1,0,1,0,0|2,0,0]=4 10076 B9R1.41 NC(=O)[C@@H]1NCC[C@@H]1O Amb27779452 [0,1,0,1,0,0|2,0,0]=4 10077 B9R1.41 NC(=O)[C@@H]1NCC[C@H]1O Amb22744802 [0,1,0,1,0,0|2,0,0]=4 10078 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Amb26432403 [0,1,0,1,0,0|2,0,0]=4 10079 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Amb32662604 [0,1,0,1,0,0|2,0,0]=4 10080 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Amb32662606 [0,1,0,1,0,0|2,0,0]=4 10081 B9R1.41 NC(=O)[C@H]1CCC[C@H]1O Amb26630221 [0,1,0,1,0,0|2,0,0]=4 10082 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O Amb25194866 [0,1,0,1,0,0|2,0,0]=4 10083 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O Amb27630066 [0,1,0,1,0,0|2,0,0]=4 10084 B9R1.41 NC1C=CCC1C(=O)O Amb25723511 [0,1,0,1,0,0|1,0,1]=4 10085 B9R1.41 NC1CCCC1C(=O)O Amb2697364 [0,1,0,1,0,0|1,0,0]=3 10086 B9R1.41 NC1CCCC1C(=O)O Amb8630257 [0,1,0,1,0,0|1,0,0]=3 10087 B9R1.41 NC1CCCC1C(O)=[ClH] Amb27883058 [0,1,0,1,0,0|2,0,0]=4 10088 B9R1.41 NC1CCNC1C(=O)O Amb27153692 [0,1,0,1,0,0|1,0,0]=3 10089 B9R1.41 NC1CCOC1C(=O)O Amb26642919 [0,1,0,1,0,0|1,0,0]=3 10090 B9R1.41 NC1CNCC1C(=O)O Amb8630131 [0,1,0,1,0,0|1,0,0]=3 10091 B9R1.41 NC1COCC1C(=O)O Amb24709230 [0,1,0,1,0,0|1,0,0]=3 10092 B9R1.41 NC1CSCC1C(=O)O Amb24457278 [0,1,0,1,0,0|1,0,0]=3 10093 B9R1.41 NN1CCCC1C(=O)O Amb18642792 [0,1,0,1,0,0|2,0,0]=4 10094 B9R1.41 NN1CCC[C@H]1C(=O)O Amb25887284 [0,1,0,1,0,0|2,0,0]=4 10095 B9R1.41 N[C@@H]1C=CC[C@@H]1C(=O)O Amb33716093 [0,1,0,1,0,0|1,0,1]=4 10096 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Amb8387462 [0,1,0,1,0,0|1,0,0]=3 10097 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Amb8516030 [0,1,0,1,0,0|1,0,0]=3 10098 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Amb20241297 [0,1,0,1,0,0|1,0,0]=3 10099 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Amb33524005 [0,1,0,1,0,0|1,0,0]=3 10100 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O Amb19929517 [0,1,0,1,0,0|1,0,0]=3 10101 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O Amb31028940 [0,1,0,1,0,0|1,0,0]=3 10102 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Amb31264036 [0,1,0,1,0,0|1,0,0]=3 10103 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Amb32666901 [0,1,0,1,0,0|1,0,0]=3 10104 B9R1.41 N[C@@H]1CNC[C@H]1C(=O)O Amb27207888 [0,1,0,1,0,0|1,0,0]=3 10105 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O Amb24078777 [0,1,0,1,0,0|1,0,0]=3 10106 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O Amb33330248 [0,1,0,1,0,0|1,0,0]=3 10107 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Amb26425593 [0,1,0,1,0,0|1,0,1]=4 10108 B9R1.41 N[C@H]1C=CC[C@H]1C(=O)O Amb31307611 [0,1,0,1,0,0|1,0,1]=4 10109 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O Amb20241298 [0,1,0,1,0,0|1,0,0]=3 10110 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O Amb22224860 [0,1,0,1,0,0|1,0,0]=3 10111 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993719 [0,1,0,1,0,0|1,0,0]=3 10112 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Amb1993764 [0,1,0,1,0,0|1,0,0]=3 10113 B9R1.41 N[C@H]1CCN[C@@H]1C(=O)O Amb27460833 [0,1,0,1,0,0|1,0,0]=3 10114 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O Amb26904835 [0,1,0,1,0,0|1,0,0]=3 10115 B9R1.41 N[C@H]1CNC[C@@H]1C(=O)O Amb27880509 [0,1,0,1,0,0|1,0,0]=3 10116 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O Amb24605467 [0,1,0,1,0,0|1,0,0]=3 10117 B9R1.41 N[C@H]1CSC[C@H]1C(=O)O Amb25980819 [0,1,0,1,0,0|1,0,0]=3 10118 B9R1.41 O=C(Cl)C1CCCC1O Amb24524192 [0,1,0,1,0,0|2,0,0]=4 10119 B9R1.41 O=C(Cl)[C@@H]1CCC[C@@H]1O Amb27475951 [0,1,0,1,0,0|2,0,0]=4 10120 B9R1.41 O=C(O)C1=CCCC1O Amb27251744 [0,1,0,1,0,0|1,0,1]=4 10121 B9R1.41 O=C(O)C1=NCCC1O Amb28137087 [0,1,0,1,0,0|1,0,1]=4 10122 B9R1.41 O=C(O)C1CCCC1=O Amb18642571 [0,1,0,1,0,0|1,0,1]=4 10123 B9R1.41 O=C(O)C1CCCC1O Amb19148040 [0,1,0,1,0,0|1,0,0]=3 10124 B9R1.41 O=C(O)C1CCCC1S Amb18280971 [0,1,0,1,0,0|1,0,0]=3 10125 B9R1.41 O=C(O)C1CCNC1=O Amb18642691 [0,1,0,1,0,0|1,0,1]=4 10126 B9R1.41 O=C(O)C1CCOC1=O Amb17593365 [0,1,0,1,0,0|1,0,1]=4 10127 B9R1.41 O=C(O)C1CNCC1F Amb26864070 [0,1,0,1,0,0|1,0,0]=3 10128 B9R1.41 O=C(O)C1CNCC1F Amb33496211 [0,1,0,1,0,0|1,0,0]=3 10129 B9R1.41 O=C(O)C1CNCC1O Amb22886381 [0,1,0,1,0,0|1,0,0]=3 10130 B9R1.41 O=C(O)C1CNCC1O Amb26026738 [0,1,0,1,0,0|1,0,0]=3 10131 B9R1.41 O=C(O)C1COCC1O Amb27270738 [0,1,0,1,0,0|1,0,0]=3 10132 B9R1.41 O=C(O)C1CSCC1=O Amb16230660 [0,1,0,1,0,0|1,0,1]=4 10133 B9R1.41 O=C(O)C1CSCC1O Amb18831363 [0,1,0,1,0,0|1,0,0]=3 10134 B9R1.41 O=C(O)C1NCCC1F Amb25772909 [0,1,0,1,0,0|1,0,0]=3 10135 B9R1.41 O=C(O)C1NCCC1O Amb22387784 [0,1,0,1,0,0|1,0,0]=3 10136 B9R1.41 O=C(O)C1NCC[C@@H]1O Amb34913313 [0,1,0,1,0,0|1,0,0]=3 10137 B9R1.41 O=C(O)C1SCCC1F Amb27201981 [0,1,0,1,0,0|1,0,0]=3 10138 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O Amb27186915 [0,1,0,1,0,0|1,0,0]=3 10139 B9R1.41 O=C(O)[C@@H]1CNC[C@H]1O Amb24120417 [0,1,0,1,0,0|1,0,0]=3 10140 B9R1.41 O=C(O)[C@@H]1NCCC1F Amb30988050 [0,1,0,1,0,0|1,0,0]=3 10141 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Amb26904377 [0,1,0,1,0,0|1,0,0]=3 10142 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb22230426 [0,1,0,1,0,0|1,0,0]=3 10143 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb33801217 [0,1,0,1,0,0|1,0,0]=3 10144 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O Amb33801367 [0,1,0,1,0,0|1,0,0]=3 10145 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Amb26891987 [0,1,0,1,0,0|1,0,0]=3 10146 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Amb30988051 [0,1,0,1,0,0|1,0,0]=3 10147 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Amb22746713 [0,1,0,1,0,0|1,0,0]=3 10148 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Amb24183557 [0,1,0,1,0,0|1,0,0]=3 10149 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Amb27437088 [0,1,0,1,0,0|1,0,0]=3 10150 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Amb22747315 [0,1,0,1,0,0|1,0,0]=3 10151 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O Amb27421639 [0,1,0,1,0,0|1,0,0]=3 10152 B9R1.41 O=C(O)[C@H]1CNC[C@H]1O Amb27818119 [0,1,0,1,0,0|1,0,0]=3 10153 B9R1.41 O=C(O)[C@H]1NCCC1O Amb10604192 [0,1,0,1,0,0|1,0,0]=3 10154 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1Cl Amb27618755 [0,1,0,1,0,0|1,0,0]=3 10155 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb24055327 [0,1,0,1,0,0|1,0,0]=3 10156 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb34154004 [0,1,0,1,0,0|1,0,0]=3 10157 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O Amb8515204 [0,1,0,1,0,0|1,0,0]=3 10158 B9R1.41 O=C(O)[C@H]1NCC[C@H]1Br Amb27232994 [0,1,0,1,0,0|1,0,0]=3 10159 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb22746928 [0,1,0,1,0,0|1,0,0]=3 10160 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb23439285 [0,1,0,1,0,0|1,0,0]=3 10161 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O Amb24183503 [0,1,0,1,0,0|1,0,0]=3 10162 B9R1.41 O=C(O)[C@H]1NCC[C@H]1S Amb27421961 [0,1,0,1,0,0|1,0,0]=3 10163 B9R1.45 C=C(C(=O)O)C1CC1C Amb33144231 [0,1,0,1,0,0|0,0,1]=3 10164 B9R1.45 C=C1CC1C(N)C(=O)O Amb24117258 [0,1,0,1,0,0|0,0,2]=4 10165 B9R1.45 C=C1CC1C(N)C(=O)O Amb27489118 [0,1,0,1,0,0|0,0,2]=4 10166 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [0,1,0,1,0,0|0,0,2]=4 10167 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [0,1,0,1,0,0|0,0,2]=4 10168 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O Amb28349320 [0,1,0,1,0,0|0,0,2]=4 10169 B9R1.45 CC1CC1C(=O)C(=O)O Amb24760671 [0,1,0,1,0,0|0,0,1]=3 10170 B9R1.45 CC1CC1C(C)C(=O)O Amb25708709 [0,1,0,1,0,0|0,0,0]=2 10171 B9R1.45 CC1CC1C(N)C(=O)O Amb33359576 [0,1,0,1,0,0|0,0,0]=2 10172 B9R1.45 CC1CC1C(O)C(=O)O Amb33474336 [0,1,0,1,0,0|0,0,0]=2 10173 B9R1.81 CC1CCC1C(=O)CN Amb33512104 [0,1,0,1,0,0|1,0,0]=3 10174 B9R1.81 CC1CCC1C(O)CN Amb33512108 [0,1,0,1,0,0|1,0,1]=4 10175 B9R1.81 CCC(C)C1CCC1O Amb32945398 [0,1,0,1,0,0|1,0,1]=4 10176 B9R1.81 COC(=O)C1CCC1=O Amb26937068 [0,1,0,1,0,0|1,0,1]=4 10177 B9R1.81 COC(=O)C1CCC1C Amb25110041 [0,1,0,1,0,0|0,0,0]=2 10178 B9R1.81 COC(=O)C1CCC1N Amb25363640 [0,1,0,1,0,0|1,0,0]=3 10179 B9R1.81 COC(=O)C1CCC1N Amb32664922 [0,1,0,1,0,0|1,0,0]=3 10180 B9R1.81 COC(=O)C1CCN1C Amb26545071 [0,1,0,1,0,0|1,0,0]=3 10181 B9R1.81 COC(=O)C1CNC1C Amb30594216 [0,1,0,1,0,0|1,0,0]=3 10182 B9R1.81 COC(=O)C1NCC1C Amb28070582 [0,1,0,1,0,0|1,0,0]=3 10183 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb22232595 [0,1,0,1,0,0|1,0,0]=3 10184 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb23439308 [0,1,0,1,0,0|1,0,0]=3 10185 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb30633597 [0,1,0,1,0,0|1,0,0]=3 10186 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb33714361 [0,1,0,1,0,0|1,0,0]=3 10187 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb33719044 [0,1,0,1,0,0|1,0,0]=3 10188 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Amb27617550 [0,1,0,1,0,0|1,0,0]=3 10189 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Amb33719045 [0,1,0,1,0,0|1,0,0]=3 10190 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C Amb34913691 [0,1,0,1,0,0|1,0,0]=3 10191 B9R1.81 COC(=O)[C@H]1CC[C@H]1C Amb25919237 [0,1,0,1,0,0|0,0,0]=2 10192 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Amb22232608 [0,1,0,1,0,0|1,0,0]=3 10193 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Amb34144031 [0,1,0,1,0,0|1,0,0]=3 10194 B9R1.91 CNC1CS(=O)(=O)C1C Amb27393848 [0,1,0,1,0,0|1,0,1]=4 10195 B9R1.93 C#CC1CC1(N)C(=O)O Amb23456002 [0,1,0,1,0,0|0,0,2]=4 10196 B9R1.93 C=CC1CC1(N)C(=O)O Amb10068409 [0,1,0,1,0,0|0,0,2]=4 10197 B9R1.93 C=C[C@@H]1C[C@@]1(N)C(=O)O Amb26958678 [0,1,0,1,0,0|0,0,2]=4 10198 B9R1.93 C=C[C@H]1C[C@@]1(N)C(=O)O Amb27221097 [0,1,0,1,0,0|0,0,2]=4 10199 B9R1.93 C=C[C@H]1C[C@]1(N)C(=O)O Amb25105090 [0,1,0,1,0,0|0,0,2]=4 10200 B9R1.93 CC1(C(=O)O)CC1C#N Amb28397281 [0,1,0,1,0,0|1,0,1]=4 10201 B9R1.93 CC1(C(=O)O)CC1CO Amb24559345 [0,1,0,1,0,0|1,0,0]=3 10202 B9R1.93 CCC1CC1(N)C(=O)O Amb24655862 [0,1,0,1,0,0|0,0,0]=2 10203 B9R1.93 CCC1CC1(O)C(=O)O Amb27607715 [0,1,0,1,0,0|0,0,0]=2 10204 B9R1.93 CC[C@@H]1CC1(N)C(=O)O Amb25104706 [0,1,0,1,0,0|0,0,0]=2 10205 B9R1.93 CC[C@@H]1C[C@@]1(C)C(=O)O Amb33098402 [0,1,0,1,0,0|0,0,0]=2 10206 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O Amb23452849 [0,1,0,1,0,0|0,0,0]=2 10207 B9R1.93 CC[C@@H]1C[C@@]1(N)C(N)=O Amb27215769 [0,1,0,1,0,0|1,0,0]=3 10208 B9R1.93 CC[C@H]1CC1(N)C(=O)O Amb26556180 [0,1,0,1,0,0|0,0,0]=2 10209 B9R1.93 CC[C@H]1C[C@@]1(C)C(=O)O Amb33098405 [0,1,0,1,0,0|0,0,0]=2 10210 B9R1.93 CC[C@H]1C[C@@]1(N)C(N)=O Amb28286397 [0,1,0,1,0,0|1,0,0]=3 10211 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O Amb27961471 [0,1,0,1,0,0|0,0,0]=2 10212 B9R1.93 CC[C@H]1C[C@]1(N)C(N)=O Amb28286982 [0,1,0,1,0,0|1,0,0]=3 10213 B9R1.93 C[C@@]1(C(=O)O)C[C@@H]1CO Amb33098403 [0,1,0,1,0,0|1,0,0]=3 10214 B9R1.93 C[C@@]1(C(=O)O)C[C@H]1CO Amb33098404 [0,1,0,1,0,0|1,0,0]=3 10215 B9R1.93 C[C@]1(C(=O)O)C[C@@H]1CF Amb33098429 [0,1,0,1,0,0|1,0,0]=3 10216 B9R1.93 C[C@]1(C(=O)O)C[C@@H]1CO Amb33098423 [0,1,0,1,0,0|1,0,0]=3 10217 B9R1.93 NC1(C(=O)O)CC1CO Amb25828351 [0,1,0,1,0,0|1,0,0]=3 10218 B9R1.93 NCC1CC1(N)C(=O)O Amb27873291 [0,1,0,1,0,0|1,0,0]=3 10219 B9R1.93 NC[C@@H]1C[C@@]1(N)C(=O)O Amb24763621 [0,1,0,1,0,0|1,0,0]=3 10220 B9R1.93 N[C@@]1(C(=O)O)C[C@H]1CO Amb26405303 [0,1,0,1,0,0|1,0,0]=3 10221 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO Amb2694928 [0,1,0,1,0,0|1,0,0]=3 10222 B9R1.93 N[C@]1(C(=O)O)C[C@H]1CO Amb25101898 [0,1,0,1,0,0|1,0,0]=3 10223 B9R1.93 O=C(O)C1(Cl)CC1CCl Amb24404084 [0,1,0,1,0,0|1,0,0]=3 10224 B9R1.96 CC(=O)N1CCC1CN Amb27963054 [0,1,0,1,0,0|2,0,0]=4 10225 B9R1.96 CC(=O)N1CCC1CO Amb32685105 [0,1,0,1,0,0|2,0,0]=4 10226 B9R1.96 CC(=O)N1CC[C@@H]1CO Amb34138406 [0,1,0,1,0,0|2,0,0]=4 10227 B9R1.96 CC(=O)N1CC[C@H]1CO Amb34144357 [0,1,0,1,0,0|2,0,0]=4 10228 B9R1.96 CCC1CCC1C(=O)O Amb25727014 [0,1,0,1,0,0|0,0,0]=2 10229 B9R1.96 CCC1CN[C@@H]1C(=O)O Amb30633665 [0,1,0,1,0,0|0,0,0]=2 10230 B9R1.96 CCN1CCC1C(=O)O Amb22011877 [0,1,0,1,0,0|1,0,0]=3 10231 B9R1.96 CCN1CC[C@@H]1C(=O)O Amb24634744 [0,1,0,1,0,0|1,0,0]=3 10232 B9R1.96 CCN1CC[C@H]1C(=O)O Amb25347394 [0,1,0,1,0,0|1,0,0]=3 10233 B9R1.96 COC1CCC1C(=O)O Amb26516125 [0,1,0,1,0,0|0,0,0]=2 10234 B9R1.96 COC1CCC1C(N)=O Amb27645560 [0,1,0,1,0,0|1,0,0]=3 10235 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O Amb34912847 [0,1,0,1,0,0|0,0,0]=2 10236 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O Amb26636288 [0,1,0,1,0,0|0,0,0]=2 10237 B9R1.96 C\C=C1/CN[C@@H]1C(=O)O Amb25075476 [0,1,0,1,0,0|0,0,2]=4 10238 B9R1.96 N#CC1CCC1C(=O)O Amb26949285 [0,1,0,1,0,0|0,0,1]=3 10239 B9R1.96 N#CC1CCC1C(N)=O Amb28285146 [0,1,0,1,0,0|1,0,1]=4 10240 B9R1.96 N#CN1CCC1C(=O)O Amb35593374 [0,1,0,1,0,0|1,0,1]=4 10241 B9R1.96 NC(=O)N1CCC1CO Amb27463478 [0,1,0,1,0,0|2,0,0]=4 10242 B9R1.96 NC[C@@H]1CC[C@H]1C(=O)O Amb27259838 [0,1,0,1,0,0|0,0,0]=2 10243 B9R1.96 NC[C@H]1CC[C@@H]1C(N)=O Amb27966233 [0,1,0,1,0,0|1,0,0]=3 10244 B9R1.96 O=C(O)C1C=CC1CO Amb27875148 [0,1,0,1,0,0|0,0,2]=4 10245 B9R1.96 O=C(O)C1CCC1CF Amb20667674 [0,1,0,1,0,0|0,0,0]=2 10246 B9R1.96 O=C(O)C1CCC1CO Amb24340315 [0,1,0,1,0,0|0,0,0]=2 10247 B9R1.96 O=C(O)N1CCC1CO Amb22756926 [0,1,0,1,0,0|1,0,0]=3 10248 B9R1.96 O=C(O)[C@H]1C=C[C@H]1CO Amb27783406 [0,1,0,1,0,0|0,0,2]=4 10249 B9R1.110 C=C(C(=O)O)C1CCC1 Amb26589067 [0,1,0,1,0,0|0,0,1]=3 10250 B9R1.110 C=C(C)C(O)C1CCC1 Amb28364580 [0,1,0,1,0,0|2,0,0]=4 10251 B9R1.110 CC(=O)C(C)C1CCC1 Amb35603891 [0,1,0,1,0,0|1,0,0]=3 10252 B9R1.110 CC(=O)C(C)C1CNC1 Amb24673466 [0,1,0,1,0,0|2,0,0]=4 10253 B9R1.110 CC(=O)C(N)C1CCC1 Amb25062195 [0,1,0,1,0,0|1,0,0]=3 10254 B9R1.110 CC(=O)N(C)C1CCC1 Amb26025919 [0,1,0,1,0,0|2,0,0]=4 10255 B9R1.110 CC(C(=O)Cl)C1CCC1 Amb29849535 [0,1,0,1,0,0|1,0,0]=3 10256 B9R1.110 CC(C(=O)O)=C1CCC1 Amb25921041 [0,1,0,1,0,0|0,0,2]=4 10257 B9R1.110 CC(C(=O)O)C1CCC1 Amb33543919 [0,1,0,1,0,0|0,0,0]=2 10258 B9R1.110 CC(C(=O)O)C1CCO1 Amb26595674 [0,1,0,1,0,0|1,0,0]=3 10259 B9R1.110 CC(C(=O)O)C1CNC1 Amb26649377 [0,1,0,1,0,0|1,0,0]=3 10260 B9R1.110 CC(C(=O)O)C1CNC1 Amb28555391 [0,1,0,1,0,0|1,0,0]=3 10261 B9R1.110 CC(C(=O)O)C1COC1 Amb33313543 [0,1,0,1,0,0|1,0,0]=3 10262 B9R1.110 CC(C(=O)O)N1CCC1 Amb24178905 [0,1,0,1,0,0|1,0,0]=3 10263 B9R1.110 CC(C(=O)O)N1CCC1 Amb33329262 [0,1,0,1,0,0|1,0,0]=3 10264 B9R1.110 CC(C(=O)[O-])C1COC1 Amb35752725 [0,1,0,1,0,0|1,0,1]=4 10265 B9R1.110 CC(C(N)=O)C1CCC1 Amb30008333 [0,1,0,1,0,0|1,0,0]=3 10266 B9R1.110 CC(C(N)=O)C1CNC1 Amb27593677 [0,1,0,1,0,0|2,0,0]=4 10267 B9R1.110 CC(C(O)O)C1CCC1 Amb27224365 [0,1,0,1,0,0|0,0,2]=4 10268 B9R1.110 CC(O)C(C)C1CCC1 Amb24481851 [0,1,0,1,0,0|1,0,1]=4 10269 B9R1.110 CN(C(=O)Cl)C1CCC1 Amb32863940 [0,1,0,1,0,0|2,0,0]=4 10270 B9R1.110 CN(C(N)=O)C1CCC1 Amb27465967 [0,1,0,1,0,0|2,0,0]=4 10271 B9R1.110 C[C@@H](C(=O)O)C1COC1 Amb33727764 [0,1,0,1,0,0|1,0,0]=3 10272 B9R1.110 C[C@@H](O)[C@H](N)C1CCC1 Amb27787967 [0,1,0,1,0,0|1,0,1]=4 10273 B9R1.110 C[C@H](C(=O)O)C1COC1 Amb33749535 [0,1,0,1,0,0|1,0,0]=3 10274 B9R1.110 NC(=O)C(F)C1CNC1 Amb28288969 [0,1,0,1,0,0|2,0,0]=4 10275 B9R1.110 NC(=O)C(N)C1CCC1 Amb27237393 [0,1,0,1,0,0|1,0,0]=3 10276 B9R1.110 NC(=O)C(N)C1COC1 Amb33065789 [0,1,0,1,0,0|2,0,0]=4 10277 B9R1.110 NC(C(=O)O)C1=CCC1 Amb27792901 [0,1,0,1,0,0|0,0,2]=4 10278 B9R1.110 NC(C(=O)O)C1CCC1 Amb19149365 [0,1,0,1,0,0|0,0,0]=2 10279 B9R1.110 NC(C(=O)O)C1CNC1 Amb30040080 [0,1,0,1,0,0|1,0,0]=3 10280 B9R1.110 NC(C(=O)O)C1COC1 Amb22405987 [0,1,0,1,0,0|1,0,0]=3 10281 B9R1.110 NC(C(=O)O)C1CSC1 Amb27844776 [0,1,0,1,0,0|1,0,0]=3 10282 B9R1.110 N[C@@H](C(=O)O)C1CCC1 Amb8395977 [0,1,0,1,0,0|0,0,0]=2 10283 B9R1.110 N[C@@H](C(=O)O)C1COC1 Amb22737550 [0,1,0,1,0,0|1,0,0]=3 10284 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb30633821 [0,1,0,1,0,0|0,0,0]=2 10285 B9R1.110 N[C@H](C(=O)O)C1CCC1 Amb8395976 [0,1,0,1,0,0|0,0,0]=2 10286 B9R1.110 N[C@H](C(=O)O)C1COC1 Amb22737551 [0,1,0,1,0,0|1,0,0]=3 10287 B9R1.110 O=C(O)C(F)=C1CCC1 Amb24432885 [0,1,0,1,0,0|0,0,2]=4 10288 B9R1.110 O=C(O)C(F)C1CCC1 Amb27760713 [0,1,0,1,0,0|0,0,0]=2 10289 B9R1.110 O=C(O)C(F)C1COC1 Amb33165607 [0,1,0,1,0,0|1,0,0]=3 10290 B9R1.110 O=C(O)C(O)C1CCC1 Amb24426901 [0,1,0,1,0,0|0,0,0]=2 10291 B9R1.110 O=C(O)C(O)C1COC1 Amb26860151 [0,1,0,1,0,0|1,0,0]=3 10292 B9R1.110 O=C(O)[C@@H](O)C1CCC1 Amb34164748 [0,1,0,1,0,0|0,0,0]=2 10293 B9R1.110 O=C(O)[C@H](O)C1CCC1 Amb34165382 [0,1,0,1,0,0|0,0,0]=2 10294 B9R1.110 O=C([O-])C(O)C1COC1 Amb32650165 [0,1,0,1,0,0|1,0,1]=4 10295 B9R1.111 C=C(C(=O)O)C1(C)CC1 Amb27453004 [0,1,0,1,0,0|0,0,1]=3 10296 B9R1.111 C=C(C)C(N)C1(C)CC1 Amb27471706 [0,1,0,1,0,0|2,0,0]=4 10297 B9R1.111 CC(C(=O)O)C1(C)CC1 Amb18832624 [0,1,0,1,0,0|0,0,0]=2 10298 B9R1.111 CC(C(=O)O)C1(F)CC1 Amb27491857 [0,1,0,1,0,0|1,0,0]=3 10299 B9R1.111 CC(C(=O)O)C1(N)CC1 Amb18832571 [0,1,0,1,0,0|1,0,0]=3 10300 B9R1.111 CC(C(=O)O)C1(O)CC1 Amb27875945 [0,1,0,1,0,0|1,0,0]=3 10301 B9R1.111 CC(C(N)=O)C1(N)CC1 Amb27849481 [0,1,0,1,0,0|2,0,0]=4 10302 B9R1.111 CC1(C(=O)C(=O)O)CC1 Amb33313344 [0,1,0,1,0,0|0,0,1]=3 10303 B9R1.111 CC1(C(N)C(=O)O)CC1 Amb25146159 [0,1,0,1,0,0|0,0,0]=2 10304 B9R1.111 CC1(C(N)C(=O)O)CC1 Amb30869387 [0,1,0,1,0,0|0,0,0]=2 10305 B9R1.111 CC1(C(O)C(=O)O)CC1 Amb33361276 [0,1,0,1,0,0|0,0,0]=2 10306 B9R1.111 CC1([C@@H](N)C(=O)O)CC1 Amb27630930 [0,1,0,1,0,0|0,0,0]=2 10307 B9R1.111 CC1([C@H](N)C(=O)O)CC1 Amb27965965 [0,1,0,1,0,0|0,0,0]=2 10308 B9R1.111 CC1([C@H](N)C(=O)O)CC1 Amb28989798 [0,1,0,1,0,0|0,0,0]=2 10309 B9R1.111 C[C@@H](C(=O)O)C1(C)CC1 Amb33738113 [0,1,0,1,0,0|0,0,0]=2 10310 B9R1.111 C[C@H](C(=O)O)C1(C)CC1 Amb33744643 [0,1,0,1,0,0|0,0,0]=2 10311 B9R1.111 NC(C(=O)O)C1(N)CC1 Amb26850724 [0,1,0,1,0,0|1,0,0]=3 10312 B9R1.111 NC(C(=O)O)C1(S)CC1 Amb27785321 [0,1,0,1,0,0|1,0,0]=3 10313 B9R1.111 NC1(C(O)C(=O)O)CC1 Amb27235816 [0,1,0,1,0,0|1,0,0]=3 10314 B9R1.111 N[C@@H](C(=O)O)C1(O)CC1 Amb22751391 [0,1,0,1,0,0|1,0,0]=3 10315 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 Amb24117270 [0,1,0,1,0,0|1,0,0]=3 10316 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 Amb27216712 [0,1,0,1,0,0|1,0,0]=3 10317 B9R1.132 CC1C(=O)OCC1CO Amb27853141 [0,1,0,1,0,0|1,0,0]=3 10318 B9R1.132 CCC1=NOC(=O)C1C Amb27786889 [0,1,0,1,0,0|1,0,1]=4 10319 B9R1.132 CCC1CNC(=O)N1C Amb25834141 [0,1,0,1,0,0|2,0,0]=4 10320 B9R1.132 CCC1COC(=O)C1N Amb28285145 [0,1,0,1,0,0|0,0,0]=2 10321 B9R1.132 CCC1NNC(=O)C1C Amb35686093 [0,1,0,1,0,0|2,0,0]=4 10322 B9R1.132 CC[C@@H]1CCC(=O)[C@@H]1Br Amb28141200 [0,1,0,1,0,0|1,0,0]=3 10323 B9R1.132 CC[C@@H]1CCC(=O)[C@H]1Br Amb27865613 [0,1,0,1,0,0|1,0,0]=3 10324 B9R1.132 CC[C@@H]1COC(=O)N1C Amb25736752 [0,1,0,1,0,0|1,0,0]=3 10325 B9R1.132 CC[C@@H]1COC(=O)[C@H]1N Amb28345688 [0,1,0,1,0,0|0,0,0]=2 10326 B9R1.132 CN1C(=O)OCC1CN Amb26030449 [0,1,0,1,0,0|2,0,0]=4 10327 B9R1.132 CN1C(=O)OCC1CO Amb22504497 [0,1,0,1,0,0|2,0,0]=4 10328 B9R1.132 CO[C@H]1COC(=O)[C@@H]1O Amb27432154 [0,1,0,1,0,0|1,0,0]=3 10329 B9R1.132 C[C@@H]1C(=O)OC[C@H]1CO Amb28065887 [0,1,0,1,0,0|1,0,0]=3 10330 B9R1.132 C[C@H]1C(=O)NC[C@@H]1CO Amb27805447 [0,1,0,1,0,0|2,0,0]=4 10331 B9R1.132 NC1C(=O)NCC1CF Amb27663222 [0,1,0,1,0,0|2,0,0]=4 10332 B9R1.132 NC1C(=O)NCC1CO Amb28125787 [0,1,0,1,0,0|2,0,0]=4 10333 B9R1.132 NC1C(=O)OCC1CO Amb27804109 [0,1,0,1,0,0|1,0,0]=3 10334 B9R1.132 NC1C(=O)OCC1CS Amb27637863 [0,1,0,1,0,0|1,0,0]=3 10335 B9R1.132 O=C1OCC(CO)C1O Amb27197070 [0,1,0,1,0,0|1,0,0]=3 10336 B9R1.141 CC(=O)C1(C)C(C)C1C Amb26515916 [0,1,0,1,0,0|1,0,0]=3 10337 B9R1.141 CC(=O)[C@@]1(C)C(Br)[C@@H]1C Amb27192126 [0,1,0,1,0,0|2,0,0]=4 10338 B9R1.141 CC(=O)[C@@]1(C)[C@H](C)[C@H]1Br Amb28248022 [0,1,0,1,0,0|2,0,0]=4 10339 B9R1.141 C[C@H]1[C@@H](C)[C@]1(C)C(=O)O Amb28248727 [0,1,0,1,0,0|0,0,0]=2 10340 B9R1.159 C=C(C)C1(O)CCC1C Amb28071760 [0,1,0,1,0,0|2,0,0]=4 10341 B9R1.159 CC1(C(=O)O)CCC1N Amb28397422 [0,1,0,1,0,0|1,0,0]=3 10342 B9R1.159 CC1CCC1(C)C(=O)O Amb28397417 [0,1,0,1,0,0|0,0,0]=2 10343 B9R1.159 CC1CCC1(N)C(=O)O Amb23456072 [0,1,0,1,0,0|0,0,0]=2 10344 B9R1.159 C[C@@H]1CC[C@@]1(C)C(=O)O Amb27655982 [0,1,0,1,0,0|0,0,0]=2 10345 B9R1.159 C[C@@H]1CC[C@@]1(N)C(=O)O Amb26027352 [0,1,0,1,0,0|0,0,0]=2 10346 B9R1.159 C[C@@H]1CC[C@@]1(N)C(N)=O Amb28346845 [0,1,0,1,0,0|1,0,0]=3 10347 B9R1.159 C[C@@H]1CC[C@]1(N)C(=O)O Amb24586126 [0,1,0,1,0,0|0,0,0]=2 10348 B9R1.159 C[C@H]1CC[C@@]1(N)C(=O)O Amb28056437 [0,1,0,1,0,0|0,0,0]=2 10349 B9R1.159 C[C@]1(C(=O)O)CC[C@H]1N Amb27961498 [0,1,0,1,0,0|1,0,0]=3 10350 B9R1.159 NC1(C(=O)O)CCC1O Amb27482724 [0,1,0,1,0,0|1,0,0]=3 10351 B9R1.159 NC1CCC1(F)C(=O)O Amb27768660 [0,1,0,1,0,0|1,0,0]=3 10352 B9R1.159 N[C@@H]1CC[C@]1(F)C(=O)O Amb27188263 [0,1,0,1,0,0|1,0,0]=3 10353 B9R1.159 N[C@H]1CC[C@@]1(N)C(=O)O Amb27216513 [0,1,0,1,0,0|1,0,0]=3 10354 B9R1.159 N[C@]1(C(=O)O)CC[C@@H]1O Amb28058284 [0,1,0,1,0,0|1,0,0]=3 10355 B9R1.159 O=C(O)C1(O)CCC1Br Amb28137512 [0,1,0,1,0,0|1,0,0]=3 10356 B9R1.199 C#CC1(O)CC(C)C1C Amb27602753 [0,1,0,1,0,0|1,0,1]=4 10357 B9R1.199 CC1(CCl)CC(=O)N1Br Amb27815827 [0,1,0,1,0,0|2,0,0]=4 10358 B9R1.199 CC1CC(N)(CO)C1C Amb28193246 [0,1,0,1,0,0|1,0,1]=4 10359 B9R1.199 CC1CC(O)(C#N)C1C Amb28142622 [0,1,0,1,0,0|1,0,1]=4 10360 B9R1.199 CCC1(C)CC(=O)C1=O Amb27844343 [0,1,0,1,0,0|0,0,1]=3 10361 B9R1.199 CCC1(O)CC(C)C1C Amb27866865 [0,1,0,1,0,0|1,0,1]=4 10362 B9R1.7 C=CCC1CCC(=O)C1 Amb26610303 [0,1,0,1,0,0|1,0,1]=4 10363 B9R1.7 C=CC[C@H]1COC(=O)N1 Amb28423413 [0,1,0,1,0,0|1,0,1]=4 10364 B9R1.7 CC1CC(CCN)CO1 Amb35686630 [0,1,0,1,0,0|1,0,1]=4 10365 B9R1.7 CCCC1=NOC(=O)C1 Amb24581199 [0,1,0,1,0,0|1,0,1]=4 10366 B9R1.7 CCCC1CC(=O)CO1 Amb35722218 [0,1,0,1,0,0|2,0,0]=4 10367 B9R1.7 CCCC1CC(=O)CS1 Amb28132012 [0,1,0,1,0,0|2,0,0]=4 10368 B9R1.7 CCCC1CC(=O)NN1 Amb29862242 [0,1,0,1,0,0|2,0,0]=4 10369 B9R1.7 CCCC1CCC(=O)C1 Amb24087435 [0,1,0,1,0,0|1,0,0]=3 10370 B9R1.7 CCCC1CCC(=O)O1 Amb8517544 [0,1,0,1,0,0|2,0,0]=4 10371 B9R1.7 CCCC1CNC(=O)C1 Amb16186658 [0,1,0,1,0,0|1,0,0]=3 10372 B9R1.7 CCCC1CNC(=O)O1 Amb26947821 [0,1,0,1,0,0|2,0,0]=4 10373 B9R1.7 CCCC1CNC(O)=N1 Amb26898870 [0,1,0,1,0,0|2,0,0]=4 10374 B9R1.7 CCCC1COC(=O)C1 Amb26560581 [0,1,0,1,0,0|0,0,0]=2 10375 B9R1.7 CCCC1COC(=O)N1 Amb26628895 [0,1,0,1,0,0|1,0,0]=3 10376 B9R1.7 CCCC1COC(O)C1 Amb28315446 [0,1,0,1,0,0|0,0,2]=4 10377 B9R1.7 CCC[C@@H]1COC(=O)N1 Amb28133695 [0,1,0,1,0,0|1,0,0]=3 10378 B9R1.7 CCC[C@H]1CCC(=O)O1 Amb28397464 [0,1,0,1,0,0|2,0,0]=4 10379 B9R1.7 CCC[C@H]1CNC(=O)C1 Amb25146172 [0,1,0,1,0,0|1,0,0]=3 10380 B9R1.7 CCC[C@H]1COC(=O)C1 Amb33725639 [0,1,0,1,0,0|0,0,0]=2 10381 B9R1.7 CCC[C@H]1COC(=O)N1 Amb27484954 [0,1,0,1,0,0|1,0,0]=3 10382 B9R1.7 CCC[C@H]1COC(O)C1 Amb28315422 [0,1,0,1,0,0|0,0,2]=4 10383 B9R1.7 CCNC1CCC(=O)C1 Amb27972271 [0,1,0,1,0,0|1,0,0]=3 10384 B9R1.7 CCNC1CNC(=O)C1 Amb28049213 [0,1,0,1,0,0|1,0,0]=3 10385 B9R1.7 CCNC1COC(C)C1 Amb30011413 [0,1,0,1,0,0|1,0,1]=4 10386 B9R1.7 CCOC1CCC(=O)C1 Amb27953350 [0,1,0,1,0,0|1,0,0]=3 10387 B9R1.7 CCOC1CCC(=O)N1 Amb2612716 [0,1,0,1,0,0|2,0,0]=4 10388 B9R1.7 CCOC1CCC(=O)O1 Amb24117269 [0,1,0,1,0,0|2,0,0]=4 10389 B9R1.7 CCOC1COC(=O)N1 Amb27799203 [0,1,0,1,0,0|1,0,0]=3 10390 B9R1.7 CCSC1CCC(=O)C1 Amb27248280 [0,1,0,1,0,0|1,0,0]=3 10391 B9R1.7 CCSC1CCC(=O)N1 Amb28131675 [0,1,0,1,0,0|2,0,0]=4 10392 B9R1.7 CCSC1CNC(=O)O1 Amb27174206 [0,1,0,1,0,0|2,0,0]=4 10393 B9R1.7 CNCC1=NOC(=O)C1 Amb27623576 [0,1,0,1,0,0|1,0,1]=4 10394 B9R1.7 CNCC1CCC(=O)N1 Amb2372617 [0,1,0,1,0,0|2,0,0]=4 10395 B9R1.7 CNCC1CCC(=O)O1 Amb28326084 [0,1,0,1,0,0|2,0,0]=4 10396 B9R1.7 CNCC1CCC(O)C1 Amb28049206 [0,1,0,1,0,0|1,0,1]=4 10397 B9R1.7 CNCC1CNC(=O)C1 Amb8009793 [0,1,0,1,0,0|1,0,0]=3 10398 B9R1.7 CNCC1CNC(=O)O1 Amb17506101 [0,1,0,1,0,0|2,0,0]=4 10399 B9R1.7 CNCC1COC(=O)O1 Amb27619965 [0,1,0,1,0,0|1,0,0]=3 10400 B9R1.7 CNC[C@@H]1CCC(=O)N1 Amb32664378 [0,1,0,1,0,0|2,0,0]=4 10401 B9R1.7 CNC[C@@H]1CCC(=O)N1 Amb33032826 [0,1,0,1,0,0|2,0,0]=4 10402 B9R1.7 CNC[C@@H]1CCC(=O)O1 Amb27848226 [0,1,0,1,0,0|2,0,0]=4 10403 B9R1.7 CNC[C@@H]1CNC(=O)O1 Amb27631362 [0,1,0,1,0,0|2,0,0]=4 10404 B9R1.7 COCC1CC(=O)CO1 Amb35726675 [0,1,0,1,0,0|2,0,0]=4 10405 B9R1.7 COCC1CC(=O)NN1 Amb35694031 [0,1,0,1,0,0|2,0,0]=4 10406 B9R1.7 COCC1CCC(=O)C1 Amb27842051 [0,1,0,1,0,0|1,0,0]=3 10407 B9R1.7 COCC1CCC(=O)O1 Amb26558471 [0,1,0,1,0,0|2,0,0]=4 10408 B9R1.7 COCC1CNC(=O)C1 Amb25693762 [0,1,0,1,0,0|1,0,0]=3 10409 B9R1.7 COCC1CNC(=O)O1 Amb27794676 [0,1,0,1,0,0|2,0,0]=4 10410 B9R1.7 COCC1CNC(O)=N1 Amb27968779 [0,1,0,1,0,0|2,0,0]=4 10411 B9R1.7 COCC1COC(=O)N1 Amb26969707 [0,1,0,1,0,0|1,0,0]=3 10412 B9R1.7 COCC1COC(=O)O1 Amb26318830 [0,1,0,1,0,0|1,0,0]=3 10413 B9R1.7 COCC1COC(N)=N1 Amb28251449 [0,1,0,1,0,0|2,0,0]=4 10414 B9R1.7 COC[C@@H]1CNC(=O)O1 Amb22746095 [0,1,0,1,0,0|2,0,0]=4 10415 B9R1.7 COC[C@H]1CNC(=O)O1 Amb22225377 [0,1,0,1,0,0|2,0,0]=4 10416 B9R1.7 COC[C@H]1COC(=O)O1 Amb22226690 [0,1,0,1,0,0|1,0,0]=3 10417 B9R1.7 CSCC1CNC(=O)C1 Amb25888802 [0,1,0,1,0,0|1,0,0]=3 10418 B9R1.7 CSCC1CNC(=O)O1 Amb28193245 [0,1,0,1,0,0|2,0,0]=4 10419 B9R1.7 CSCC1COC(=O)N1 Amb25304404 [0,1,0,1,0,0|1,0,0]=3 10420 B9R1.7 CSC[C@H]1COC(=O)N1 Amb27945522 [0,1,0,1,0,0|1,0,0]=3 10421 B9R1.7 C[NH2+]C[C@@H]1CCC(=O)O1 Amb28464027 [0,1,0,1,0,0|2,0,0]=4 10422 B9R1.7 C\C=C\C1CCC(=O)C1 Amb28065825 [0,1,0,1,0,0|1,0,1]=4 10423 B9R1.7 C\C=C\[C@H]1CCC(=O)C1 Amb27490903 [0,1,0,1,0,0|1,0,1]=4 10424 B9R1.7 NCCC1=NOC(=O)C1 Amb18832636 [0,1,0,1,0,0|1,0,1]=4 10425 B9R1.7 NCCC1CCC(=O)N1 Amb18832609 [0,1,0,1,0,0|2,0,0]=4 10426 B9R1.7 NCCC1CCC(=O)N1 Amb32652430 [0,1,0,1,0,0|2,0,0]=4 10427 B9R1.7 NCCC1CCC(O)C1 Amb27790532 [0,1,0,1,0,0|1,0,1]=4 10428 B9R1.7 NCCC1CNC(=O)C1 Amb18832612 [0,1,0,1,0,0|1,0,0]=3 10429 B9R1.7 NCCC1CNC(=O)C1 Amb32666581 [0,1,0,1,0,0|1,0,0]=3 10430 B9R1.7 NCCC1CNC(=O)O1 Amb27628589 [0,1,0,1,0,0|2,0,0]=4 10431 B9R1.7 NCCC1COC(=O)N1 Amb24732121 [0,1,0,1,0,0|1,0,0]=3 10432 B9R1.7 NCCN1CCC(=O)C1 Amb27460887 [0,1,0,1,0,0|2,0,0]=4 10433 B9R1.7 NCC[C@@H]1CCC(=O)N1 Amb26588427 [0,1,0,1,0,0|2,0,0]=4 10434 B9R1.7 NCC[C@@H]1CCC(=O)N1 Amb32664350 [0,1,0,1,0,0|2,0,0]=4 10435 B9R1.7 NCC[C@@H]1CC[C@H](O)C1 Amb17933187 [0,1,0,1,0,0|1,0,1]=4 10436 B9R1.7 NOCC1CNC(=O)C1 Amb27879907 [0,1,0,1,0,0|2,0,0]=4 10437 B9R1.7 O=C1C=CC(CCO)C1 Amb27256296 [0,1,0,1,0,0|1,0,1]=4 10438 B9R1.7 O=C1CC(CCF)CN1 Amb33196064 [0,1,0,1,0,0|1,0,0]=3 10439 B9R1.7 O=C1CC(CCO)CN1 Amb23598230 [0,1,0,1,0,0|1,0,0]=3 10440 B9R1.7 O=C1CC(N=C=S)CO1 Amb25776098 [0,1,0,1,0,0|1,0,1]=4 10441 B9R1.7 O=C1CCC(CCBr)C1 Amb27592180 [0,1,0,1,0,0|1,0,0]=3 10442 B9R1.7 O=C1CCC(CCBr)O1 Amb27657784 [0,1,0,1,0,0|2,0,0]=4 10443 B9R1.7 O=C1CCC(CCO)N1 Amb8392541 [0,1,0,1,0,0|2,0,0]=4 10444 B9R1.7 O=C1CCC(CCS)O1 Amb28285189 [0,1,0,1,0,0|2,0,0]=4 10445 B9R1.7 O=C1CC[C@@H](CCO)N1 Amb24761403 [0,1,0,1,0,0|2,0,0]=4 10446 B9R1.7 O=C1CC[C@H](CCBr)O1 Amb27791548 [0,1,0,1,0,0|2,0,0]=4 10447 B9R1.7 O=C1CC[C@H](CCO)N1 Amb26403176 [0,1,0,1,0,0|2,0,0]=4 10448 B9R1.7 O=C1NC(CCF)CO1 Amb33195803 [0,1,0,1,0,0|1,0,0]=3 10449 B9R1.7 O=C1NCC(CCF)O1 Amb33195802 [0,1,0,1,0,0|2,0,0]=4 10450 B9R1.7 O=C1NCC(CCO)N1 Amb26597295 [0,1,0,1,0,0|2,0,0]=4 10451 B9R1.7 O=CCC1CCC(=O)C1 Amb18642410 [0,1,0,1,0,0|1,0,1]=4 10452 B9R1.7 O=CC[C@H]1CCC(=O)C1 Amb27961372 [0,1,0,1,0,0|1,0,1]=4 10453 B9R1.7 O=S1OCC(CCCl)O1 Amb28183022 [0,1,0,1,0,0|2,0,0]=4 10454 B9R1.7 O=S1OC[C@H](CCCl)O1 Amb27180871 [0,1,0,1,0,0|2,0,0]=4 10455 B9R1.7 OC1CCC(CCS)C1 Amb27835966 [0,1,0,1,0,0|1,0,1]=4 10456 B9R1.7 OCC[C@@H]1CC[C@H](O)C1 Amb28070933 [0,1,0,1,0,0|1,0,1]=4 10457 B9R1.13 C=C(C)CC1CCCC1 Amb22052678 [0,1,0,1,0,0|2,0,0]=4 10458 B9R1.13 C=C(C)CC1CCCN1 Amb25162820 [0,1,0,1,0,0|2,0,0]=4 10459 B9R1.13 C=C(C)CC1CCCO1 Amb29857297 [0,1,0,1,0,0|2,0,0]=4 10460 B9R1.13 C=C(C)CC1CCNC1 Amb27866319 [0,1,0,1,0,0|2,0,0]=4 10461 B9R1.13 C=C(C)CC1CCOC1 Amb29857298 [0,1,0,1,0,0|2,0,0]=4 10462 B9R1.13 CC(=O)CC1C=CCC1 Amb2721318 [0,1,0,1,0,0|1,0,1]=4 10463 B9R1.13 CC(=O)CC1CCCC1 Amb2721149 [0,1,0,1,0,0|1,0,0]=3 10464 B9R1.13 CC(=O)CC1CCCN1 Amb24064067 [0,1,0,1,0,0|1,0,0]=3 10465 B9R1.13 CC(=O)CC1CCCO1 Amb13952621 [0,1,0,1,0,0|1,0,0]=3 10466 B9R1.13 CC(=O)CC1CCCS1 Amb33416251 [0,1,0,1,0,0|1,0,0]=3 10467 B9R1.13 CC(=O)CC1CCNC1 Amb26624949 [0,1,0,1,0,0|1,0,0]=3 10468 B9R1.13 CC(=O)CC1CCOC1 Amb20622791 [0,1,0,1,0,0|1,0,0]=3 10469 B9R1.13 CC(=O)CC1CCSC1 Amb33141833 [0,1,0,1,0,0|1,0,0]=3 10470 B9R1.13 CC(=O)CC1OCCO1 Amb22359800 [0,1,0,1,0,0|2,0,0]=4 10471 B9R1.13 CC(=O)C[C@H]1CCCN1 Amb25887375 [0,1,0,1,0,0|1,0,0]=3 10472 B9R1.13 CC(=O)NC1CCCC1 Amb3367351 [0,1,0,1,0,0|2,0,0]=4 10473 B9R1.13 CC(=O)NC1CCCN1 Amb28400896 [0,1,0,1,0,0|2,0,0]=4 10474 B9R1.13 CC(=O)NC1CCNC1 Amb32412611 [0,1,0,1,0,0|2,0,0]=4 10475 B9R1.13 CC(=O)NC1CCNC1 Amb33531966 [0,1,0,1,0,0|2,0,0]=4 10476 B9R1.13 CC(=O)N[C@@H]1CCNC1 Amb10067002 [0,1,0,1,0,0|2,0,0]=4 10477 B9R1.13 CC(=O)N[C@H]1CCNC1 Amb22744974 [0,1,0,1,0,0|2,0,0]=4 10478 B9R1.13 CC(=O)N[C@H]1CCNC1 Amb8631248 [0,1,0,1,0,0|2,0,0]=4 10479 B9R1.13 CC(=O)OC1CCCO1 Amb22270198 [0,1,0,1,0,0|2,0,0]=4 10480 B9R1.13 CC(=O)OC1CCNC1 Amb22011811 [0,1,0,1,0,0|2,0,0]=4 10481 B9R1.13 CC(=O)O[C@H]1CCNC1 Amb27592400 [0,1,0,1,0,0|2,0,0]=4 10482 B9R1.13 CC(=O)O[C@H]1CCOC1 Amb27254860 [0,1,0,1,0,0|2,0,0]=4 10483 B9R1.13 CC(=O)SC1CCCC1 Amb22337902 [0,1,0,1,0,0|2,0,0]=4 10484 B9R1.13 CC(=O)SC1CCOC1 Amb13892074 [0,1,0,1,0,0|2,0,0]=4 10485 B9R1.13 CC(O)CC1CCCC1 Amb26484484 [0,1,0,1,0,0|1,0,1]=4 10486 B9R1.13 CC(O)CC1CCCN1 Amb22059496 [0,1,0,1,0,0|1,0,1]=4 10487 B9R1.13 CC(O)CC1CCCO1 Amb27979742 [0,1,0,1,0,0|1,0,1]=4 10488 B9R1.13 CC(O)CC1CCCS1 Amb25206716 [0,1,0,1,0,0|1,0,1]=4 10489 B9R1.13 CC(O)CC1CCNC1 Amb27258166 [0,1,0,1,0,0|1,0,1]=4 10490 B9R1.13 CC(O)CC1CCOC1 Amb25888927 [0,1,0,1,0,0|1,0,1]=4 10491 B9R1.13 CC(O)CC1CCSC1 Amb33345807 [0,1,0,1,0,0|1,0,1]=4 10492 B9R1.13 CN(O)CC1CCCC1 Amb33378902 [0,1,0,1,0,0|2,0,0]=4 10493 B9R1.13 CN(O)CC1CCCO1 Amb33318754 [0,1,0,1,0,0|2,0,0]=4 10494 B9R1.13 CN(O)CC1CCCS1 Amb33416201 [0,1,0,1,0,0|2,0,0]=4 10495 B9R1.13 CN(O)CC1CCOC1 Amb33420778 [0,1,0,1,0,0|2,0,0]=4 10496 B9R1.13 CN(O)CC1CCSC1 Amb33141649 [0,1,0,1,0,0|2,0,0]=4 10497 B9R1.13 C[C@@H](O)CC1CCCC1 Amb33315749 [0,1,0,1,0,0|1,0,1]=4 10498 B9R1.13 C[C@@H](O)CC1CCCO1 Amb33318696 [0,1,0,1,0,0|1,0,1]=4 10499 B9R1.13 C[C@@H](O)CC1CCCS1 Amb33415844 [0,1,0,1,0,0|1,0,1]=4 10500 B9R1.13 C[C@@H](O)CC1CCOC1 Amb33420739 [0,1,0,1,0,0|1,0,1]=4 10501 B9R1.13 C[C@@H](O)CC1CCSC1 Amb33141518 [0,1,0,1,0,0|1,0,1]=4 10502 B9R1.13 C[C@@H](O)C[C@@H]1CCCO1 Amb27196849 [0,1,0,1,0,0|1,0,1]=4 10503 B9R1.13 C[C@H](O)CC1CCCC1 Amb33315750 [0,1,0,1,0,0|1,0,1]=4 10504 B9R1.13 C[C@H](O)CC1CCCO1 Amb24735204 [0,1,0,1,0,0|1,0,1]=4 10505 B9R1.13 C[C@H](O)CC1CCCS1 Amb33415845 [0,1,0,1,0,0|1,0,1]=4 10506 B9R1.13 C[C@H](O)CC1CCOC1 Amb33420740 [0,1,0,1,0,0|1,0,1]=4 10507 B9R1.13 C[C@H](O)CC1CCSC1 Amb33141519 [0,1,0,1,0,0|1,0,1]=4 10508 B9R1.13 C[C@H](O)C[C@@H]1CCCN1 Amb28428898 [0,1,0,1,0,0|1,0,1]=4 10509 B9R1.13 C[C@H](O)C[C@H]1CCCN1 Amb27786187 [0,1,0,1,0,0|1,0,1]=4 10510 B9R1.13 C[C@H](O)C[C@H]1CCCO1 Amb28206139 [0,1,0,1,0,0|1,0,1]=4 10511 B9R1.13 N=C(N)CC1CCCC1 Amb28381044 [0,1,0,1,0,0|2,0,0]=4 10512 B9R1.13 N=C(N)CC1CCCC1 Amb28934951 [0,1,0,1,0,0|2,0,0]=4 10513 B9R1.13 N=C(N)CC1CCCS1 Amb33416788 [0,1,0,1,0,0|2,0,0]=4 10514 B9R1.13 N=C(N)CC1CCOC1 Amb25132816 [0,1,0,1,0,0|2,0,0]=4 10515 B9R1.13 N=C(N)CC1CCSC1 Amb32672202 [0,1,0,1,0,0|2,0,0]=4 10516 B9R1.13 NC(=O)CC1C=CCC1 Amb16233726 [0,1,0,1,0,0|1,0,1]=4 10517 B9R1.13 NC(=O)CC1CC=CC1 Amb27837715 [0,1,0,1,0,0|1,0,1]=4 10518 B9R1.13 NC(=O)CC1CCCC1 Amb6892422 [0,1,0,1,0,0|1,0,0]=3 10519 B9R1.13 NC(=O)CC1CCCN1 Amb18282785 [0,1,0,1,0,0|1,0,0]=3 10520 B9R1.13 NC(=O)CC1CCCN1 Amb28934952 [0,1,0,1,0,0|1,0,0]=3 10521 B9R1.13 NC(=O)CC1CCNC1 Amb27169655 [0,1,0,1,0,0|1,0,0]=3 10522 B9R1.13 NC(=O)CC1CCNC1 Amb32653198 [0,1,0,1,0,0|1,0,0]=3 10523 B9R1.13 NC(=O)CC1CCNC1 Amb32667283 [0,1,0,1,0,0|1,0,0]=3 10524 B9R1.13 NC(=O)CC1CCSC1 Amb32672204 [0,1,0,1,0,0|1,0,0]=3 10525 B9R1.13 NC(=O)CC1CCSS1 Amb27814178 [0,1,0,1,0,0|2,0,0]=4 10526 B9R1.13 NC(=O)CC1OCCO1 Amb27837657 [0,1,0,1,0,0|2,0,0]=4 10527 B9R1.13 NC(=O)CN1CCCO1 Amb27170000 [0,1,0,1,0,0|2,0,0]=4 10528 B9R1.13 NC(=O)CN1CCSC1 Amb27759902 [0,1,0,1,0,0|2,0,0]=4 10529 B9R1.13 NC(=O)C[C@@H]1CCNC1 Amb35688629 [0,1,0,1,0,0|1,0,0]=3 10530 B9R1.13 NC(=O)C[C@H]1CCNC1 Amb35674876 [0,1,0,1,0,0|1,0,0]=3 10531 B9R1.13 NC(=O)C[C@H]1CCOC1 Amb27837647 [0,1,0,1,0,0|1,0,0]=3 10532 B9R1.13 NC(=O)NC1CCCC1 Amb1151267 [0,1,0,1,0,0|2,0,0]=4 10533 B9R1.13 NC(=O)NC1CCNC1 Amb28934939 [0,1,0,1,0,0|2,0,0]=4 10534 B9R1.13 NC(=O)NC1CCNC1 Amb9467923 [0,1,0,1,0,0|2,0,0]=4 10535 B9R1.13 NC(=O)NC1CCOC1 Amb28046693 [0,1,0,1,0,0|2,0,0]=4 10536 B9R1.13 NC(=O)N[C@H]1CCNC1 Amb27838506 [0,1,0,1,0,0|2,0,0]=4 10537 B9R1.13 NC(=O)OC1CCCC1 Amb2617542 [0,1,0,1,0,0|2,0,0]=4 10538 B9R1.13 NC(=S)CC1CCCC1 Amb26475206 [0,1,0,1,0,0|1,1,0]=4 10539 B9R1.13 NC(=S)CC1CCCO1 Amb6242594 [0,1,0,1,0,0|1,1,0]=4 10540 B9R1.13 NC(=S)CC1CCCS1 Amb33416787 [0,1,0,1,0,0|1,1,0]=4 10541 B9R1.13 NC(=S)CC1CCOC1 Amb27971678 [0,1,0,1,0,0|1,1,0]=4 10542 B9R1.13 NC(=S)CC1CCSC1 Amb32672203 [0,1,0,1,0,0|1,1,0]=4 10543 B9R1.13 NS(=O)CC1CCCC1 Amb32720316 [0,1,0,1,0,0|2,0,0]=4 10544 B9R1.13 NS(=O)CC1CCCO1 Amb32720353 [0,1,0,1,0,0|2,0,0]=4 10545 B9R1.13 NS(=O)CC1CCOC1 Amb32720367 [0,1,0,1,0,0|2,0,0]=4 10546 B9R1.13 O=C(Cl)CC1CCCC1 Amb3939570 [0,1,0,1,0,0|1,0,0]=3 10547 B9R1.13 O=C(Cl)CC1CCCN1 Amb27792098 [0,1,0,1,0,0|1,0,0]=3 10548 B9R1.13 O=C(Cl)CC1CCCO1 Amb25921099 [0,1,0,1,0,0|1,0,0]=3 10549 B9R1.13 O=C(Cl)CC1CCOC1 Amb22642272 [0,1,0,1,0,0|1,0,0]=3 10550 B9R1.13 O=C(Cl)CN1CCCC1 Amb17142871 [0,1,0,1,0,0|2,0,0]=4 10551 B9R1.13 O=C(Cl)NC1CCCC1 Amb35637068 [0,1,0,1,0,0|2,0,0]=4 10552 B9R1.13 O=C(Cl)NC1CCOC1 Amb35625931 [0,1,0,1,0,0|2,0,0]=4 10553 B9R1.13 O=C(Cl)NC1CCSC1 Amb35633199 [0,1,0,1,0,0|2,0,0]=4 10554 B9R1.13 O=C(Cl)OC1CCCC1 Amb10070029 [0,1,0,1,0,0|2,0,0]=4 10555 B9R1.13 O=C(Cl)OC1CCOC1 Amb33533648 [0,1,0,1,0,0|2,0,0]=4 10556 B9R1.13 O=C(Cl)OC1CCSC1 Amb28051650 [0,1,0,1,0,0|2,0,0]=4 10557 B9R1.13 O=C(Cl)O[C@@H]1CCOC1 Amb33297310 [0,1,0,1,0,0|2,0,0]=4 10558 B9R1.13 O=C(Cl)O[C@H]1CCOC1 Amb33297142 [0,1,0,1,0,0|2,0,0]=4 10559 B9R1.13 O=C(O)C=C1CCCC1 Amb4036043 [0,1,0,1,0,0|0,0,2]=4 10560 B9R1.13 O=C(O)CC1=CCCC1 Amb18642404 [0,1,0,1,0,0|0,0,1]=3 10561 B9R1.13 O=C(O)CC1=NCCN1 Amb28256209 [0,1,0,1,0,0|1,0,1]=4 10562 B9R1.13 O=C(O)CC1=NCCS1 Amb8009921 [0,1,0,1,0,0|1,0,1]=4 10563 B9R1.13 O=C(O)CC1C=CCC1 Amb9703199 [0,1,0,1,0,0|0,0,1]=3 10564 B9R1.13 O=C(O)CC1CC=CC1 Amb25673915 [0,1,0,1,0,0|0,0,1]=3 10565 B9R1.13 O=C(O)CC1CCCC1 Amb16192937 [0,1,0,1,0,0|0,0,0]=2 10566 B9R1.13 O=C(O)CC1CCCC1 Amb3939847 [0,1,0,1,0,0|0,0,0]=2 10567 B9R1.13 O=C(O)CC1CCCN1 Amb20668514 [0,1,0,1,0,0|0,0,0]=2 10568 B9R1.13 O=C(O)CC1CCCN1 Amb8387921 [0,1,0,1,0,0|0,0,0]=2 10569 B9R1.13 O=C(O)CC1CCCO1 Amb9713389 [0,1,0,1,0,0|0,0,0]=2 10570 B9R1.13 O=C(O)CC1CCNC1 Amb2695002 [0,1,0,1,0,0|0,0,0]=2 10571 B9R1.13 O=C(O)CC1CCNC1 Amb33549788 [0,1,0,1,0,0|0,0,0]=2 10572 B9R1.13 O=C(O)CC1CCOC1 Amb2696440 [0,1,0,1,0,0|0,0,0]=2 10573 B9R1.13 O=C(O)CC1CCSC1 Amb18202318 [0,1,0,1,0,0|0,0,0]=2 10574 B9R1.13 O=C(O)CC1CCSS1 Amb8388096 [0,1,0,1,0,0|1,0,0]=3 10575 B9R1.13 O=C(O)CC1CSCN1 Amb32990250 [0,1,0,1,0,0|1,0,0]=3 10576 B9R1.13 O=C(O)CC1NCCS1 Amb18644340 [0,1,0,1,0,0|1,0,0]=3 10577 B9R1.13 O=C(O)CC1OCCO1 Amb22740193 [0,1,0,1,0,0|1,0,0]=3 10578 B9R1.13 O=C(O)CN1CCCC1 Amb535912 [0,1,0,1,0,0|1,0,0]=3 10579 B9R1.13 O=C(O)CN1CCCC1 Amb9677391 [0,1,0,1,0,0|1,0,0]=3 10580 B9R1.13 O=C(O)C[C@@H]1CCCN1 Amb13891876 [0,1,0,1,0,0|0,0,0]=2 10581 B9R1.13 O=C(O)C[C@@H]1CCCN1 Amb8630792 [0,1,0,1,0,0|0,0,0]=2 10582 B9R1.13 O=C(O)C[C@@H]1CCCO1 Amb24271115 [0,1,0,1,0,0|0,0,0]=2 10583 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb10067024 [0,1,0,1,0,0|0,0,0]=2 10584 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb26948232 [0,1,0,1,0,0|0,0,0]=2 10585 B9R1.13 O=C(O)C[C@@H]1CCOC1 Amb25887272 [0,1,0,1,0,0|0,0,0]=2 10586 B9R1.13 O=C(O)C[C@H]1CCCN1 Amb16184011 [0,1,0,1,0,0|0,0,0]=2 10587 B9R1.13 O=C(O)C[C@H]1CCCN1 Amb33295230 [0,1,0,1,0,0|0,0,0]=2 10588 B9R1.13 O=C(O)C[C@H]1CCCO1 Amb24271109 [0,1,0,1,0,0|0,0,0]=2 10589 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb2696648 [0,1,0,1,0,0|0,0,0]=2 10590 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb8384306 [0,1,0,1,0,0|0,0,0]=2 10591 B9R1.13 O=C(O)C[C@H]1CCOC1 Amb23401495 [0,1,0,1,0,0|0,0,0]=2 10592 B9R1.13 O=C(O)\C=C1\CCNC1 Amb21953701 [0,1,0,1,0,0|0,0,2]=4 10593 B9R1.13 O=C(O)\C=C1\CCOC1 Amb27837480 [0,1,0,1,0,0|0,0,2]=4 10594 B9R1.13 O=C(O)\C=C1\CCSC1 Amb26390862 [0,1,0,1,0,0|0,0,2]=4 10595 B9R1.13 O=S(Cl)CC1CCCC1 Amb32720315 [0,1,0,1,0,0|2,0,0]=4 10596 B9R1.13 O=S(Cl)CC1CCCO1 Amb26405116 [0,1,0,1,0,0|2,0,0]=4 10597 B9R1.13 O=S(Cl)CC1CCOC1 Amb32720366 [0,1,0,1,0,0|2,0,0]=4 10598 B9R1.13 O=S([O-])CC1CCCC1 Amb27635722 [0,1,0,1,0,0|1,0,1]=4 10599 B9R1.13 O=S([O-])CC1CCCO1 Amb27665315 [0,1,0,1,0,0|1,0,1]=4 10600 B9R1.13 O=S([O-])CC1CCNC1 Amb32755771 [0,1,0,1,0,0|1,0,1]=4 10601 B9R1.13 O=S([O-])CC1CCOC1 Amb32754269 [0,1,0,1,0,0|1,0,1]=4 10602 B9R1.13 O=[N+]([O-])CC1CCCC1 Amb33315744 [0,1,0,1,0,0|1,0,1]=4 10603 B9R1.13 O=[N+]([O-])CC1CCCO1 Amb33318663 [0,1,0,1,0,0|1,0,1]=4 10604 B9R1.13 O=[N+]([O-])CC1CCCS1 Amb33414420 [0,1,0,1,0,0|1,0,1]=4 10605 B9R1.13 O=[N+]([O-])CC1CCNC1 Amb18203199 [0,1,0,1,0,0|1,0,1]=4 10606 B9R1.13 O=[N+]([O-])CC1CCOC1 Amb32675285 [0,1,0,1,0,0|1,0,1]=4 10607 B9R1.13 O=[N+]([O-])CC1CCSC1 Amb33141506 [0,1,0,1,0,0|1,0,1]=4 10608 B9R1.13 OB(O)CC1CCCC1 Amb25320686 [0,1,0,1,0,0|1,0,1]=4 10609 B9R1.13 OB(O)CC1CCOC1 Amb28288598 [0,1,0,1,0,0|1,0,1]=4 10610 B9R1.22 C=CC1NC(=O)OC1C Amb27862221 [0,1,0,1,0,0|1,0,1]=4 10611 B9R1.22 C=CC1OC(=O)NC1C Amb27481791 [0,1,0,1,0,0|1,0,1]=4 10612 B9R1.22 C=CC1OC(=O)N[C@H]1C Amb27200232 [0,1,0,1,0,0|1,0,1]=4 10613 B9R1.22 CC1=CC(=O)O[C@H]1CO Amb27399693 [0,1,0,1,0,0|0,0,2]=4 10614 B9R1.22 CC1CC(=O)NC1C#N Amb18642194 [0,1,0,1,0,0|1,0,1]=4 10615 B9R1.22 CC1CC(=O)OC1CO Amb28049216 [0,1,0,1,0,0|0,0,0]=2 10616 B9R1.22 CC1CC(=O)O[C@@H]1CO Amb27956619 [0,1,0,1,0,0|0,0,0]=2 10617 B9R1.22 CC1CC(CBr)C(C)O1 Amb28254737 [0,1,0,1,0,0|1,0,1]=4 10618 B9R1.22 CC1CC(CCl)C(C)O1 Amb26422417 [0,1,0,1,0,0|1,0,1]=4 10619 B9R1.22 CC1CC(CN)C(C)O1 Amb25955729 [0,1,0,1,0,0|1,0,1]=4 10620 B9R1.22 CC1NC(=O)OC1CN Amb27782505 [0,1,0,1,0,0|1,0,0]=3 10621 B9R1.22 CC1NC(=O)OC1CO Amb27438567 [0,1,0,1,0,0|1,0,0]=3 10622 B9R1.22 CC1OC(=O)OC1CBr Amb28366962 [0,1,0,1,0,0|1,0,0]=3 10623 B9R1.22 CC1OC(=O)OC1CCl Amb26457359 [0,1,0,1,0,0|1,0,0]=3 10624 B9R1.22 CC1OC(=O)OC1CO Amb28315510 [0,1,0,1,0,0|1,0,0]=3 10625 B9R1.22 CCC1=CC(=O)OC1O Amb25221620 [0,1,0,1,0,0|0,0,2]=4 10626 B9R1.22 CCC1CC(=O)NC1=O Amb24117084 [0,1,0,1,0,0|1,0,1]=4 10627 B9R1.22 CCC1CC(=O)NC1C Amb27391224 [0,1,0,1,0,0|1,0,0]=3 10628 B9R1.22 CCC1CC(=O)OC1=O Amb24571652 [0,1,0,1,0,0|0,0,1]=3 10629 B9R1.22 CCC1CC(=O)OC1O Amb27956540 [0,1,0,1,0,0|0,0,0]=2 10630 B9R1.22 CCC1CC(Cl)=NN1C Amb27843722 [0,1,0,1,0,0|2,0,0]=4 10631 B9R1.22 CCC1NC(=N)CC1C Amb27221739 [0,1,0,1,0,0|2,0,0]=4 10632 B9R1.22 CCC1NC(=O)CC1C Amb24578188 [0,1,0,1,0,0|1,0,0]=3 10633 B9R1.22 CCC1NC(=O)CC1N Amb28059613 [0,1,0,1,0,0|2,0,0]=4 10634 B9R1.22 CCC1NC(=O)CC1O Amb28367696 [0,1,0,1,0,0|2,0,0]=4 10635 B9R1.22 CCC1NC(=O)NC1C Amb26851881 [0,1,0,1,0,0|2,0,0]=4 10636 B9R1.22 CCC1NC(=O)OC1C Amb27860236 [0,1,0,1,0,0|1,0,0]=3 10637 B9R1.22 CCC1OC(=O)CC1=O Amb27249611 [0,1,0,1,0,0|1,0,1]=4 10638 B9R1.22 CCC1OC(O)CC1C Amb27792433 [0,1,0,1,0,0|0,0,2]=4 10639 B9R1.22 CC[C@@H]1NC(=N)O[C@H]1C Amb28388594 [0,1,0,1,0,0|2,0,0]=4 10640 B9R1.22 CC[C@@H]1NC(=O)OC1=O Amb27837741 [0,1,0,1,0,0|1,0,1]=4 10641 B9R1.22 CC[C@@H]1NC(=O)O[C@@H]1C Amb28324056 [0,1,0,1,0,0|1,0,0]=3 10642 B9R1.22 CC[C@@H]1OC(=O)C[C@@H]1O Amb28207149 [0,1,0,1,0,0|1,0,0]=3 10643 B9R1.22 CC[C@@H]1OC(=O)N[C@H]1C Amb27881540 [0,1,0,1,0,0|1,0,0]=3 10644 B9R1.22 CC[C@H]1NC(=O)O[C@H]1C Amb27194202 [0,1,0,1,0,0|1,0,0]=3 10645 B9R1.22 CC[C@H]1OC(=O)C[C@H]1O Amb28292165 [0,1,0,1,0,0|1,0,0]=3 10646 B9R1.22 CC[C@H]1OC(=O)N[C@H]1C Amb28252714 [0,1,0,1,0,0|1,0,0]=3 10647 B9R1.22 CC[C@H]1OC(O)C[C@@H]1C Amb27775528 [0,1,0,1,0,0|0,0,2]=4 10648 B9R1.22 CN1NC(=O)CC1CO Amb27667146 [0,1,0,1,0,0|2,0,0]=4 10649 B9R1.22 CN[C@@H]1CC(=O)O[C@@H]1C Amb27789975 [0,1,0,1,0,0|0,0,0]=2 10650 B9R1.22 COC1=CC(=O)CC1C Amb27449393 [0,1,0,1,0,0|1,0,1]=4 10651 B9R1.22 COC1CC(=O)OC1=O Amb27613327 [0,1,0,1,0,0|1,0,1]=4 10652 B9R1.22 CO[C@@H]1NC(=O)O[C@@H]1C Amb28345550 [0,1,0,1,0,0|1,0,0]=3 10653 B9R1.22 CO[C@@H]1NC(=O)O[C@H]1C Amb27437420 [0,1,0,1,0,0|1,0,0]=3 10654 B9R1.22 C[C@@H]1CC(=O)C[C@@H]1CO Amb27260485 [0,1,0,1,0,0|1,0,0]=3 10655 B9R1.22 C[C@@H]1CC(=O)N[C@H]1C#N Amb27450746 [0,1,0,1,0,0|1,0,1]=4 10656 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CCl Amb27976633 [0,1,0,1,0,0|0,0,0]=2 10657 B9R1.22 C[C@@H]1CC(=O)O[C@H]1CO Amb28053667 [0,1,0,1,0,0|0,0,0]=2 10658 B9R1.22 C[C@@H]1OC(=O)C[C@@H]1CO Amb27662143 [0,1,0,1,0,0|0,0,0]=2 10659 B9R1.22 C[C@@H]1OC(=O)N[C@@H]1C#N Amb27814972 [0,1,0,1,0,0|1,0,1]=4 10660 B9R1.22 C[C@@H]1OC(=O)O[C@H]1CO Amb27204022 [0,1,0,1,0,0|1,0,0]=3 10661 B9R1.22 C[C@H]1CC(=O)O[C@@H]1CO Amb27450606 [0,1,0,1,0,0|0,0,0]=2 10662 B9R1.22 C[C@H]1OC(=O)N[C@@H]1C#N Amb27793484 [0,1,0,1,0,0|1,0,1]=4 10663 B9R1.22 C[C@H]1OC(=O)N[C@@H]1CO Amb27237045 [0,1,0,1,0,0|1,0,0]=3 10664 B9R1.22 C[C@H]1OC(=O)N[C@H]1CO Amb27440525 [0,1,0,1,0,0|1,0,0]=3 10665 B9R1.22 NC1CC(=O)NC1CO Amb27646439 [0,1,0,1,0,0|2,0,0]=4 10666 B9R1.22 N[C@H]1CC(=O)N[C@@H]1CO Amb25912151 [0,1,0,1,0,0|2,0,0]=4 10667 B9R1.22 O=C1CC(CF)C(=O)O1 Amb33379253 [0,1,0,1,0,0|1,0,1]=4 10668 B9R1.22 O=C1CC(O)C(CBr)O1 Amb27165399 [0,1,0,1,0,0|1,0,0]=3 10669 B9R1.22 O=C1CC(O)C(CCl)O1 Amb27403088 [0,1,0,1,0,0|1,0,0]=3 10670 B9R1.22 O=C1C[C@@H](O)[C@@H](CCl)O1 Amb27975823 [0,1,0,1,0,0|1,0,0]=3 10671 B9R1.22 O=C1C[C@@H](O)[C@@H](CO)O1 Amb24515317 [0,1,0,1,0,0|1,0,0]=3 10672 B9R1.22 O=C1C[C@@H](O)[C@H](CO)N1 Amb28346278 [0,1,0,1,0,0|2,0,0]=4 10673 B9R1.22 O=C1C[C@@H](O)[C@H](CO)O1 Amb22748461 [0,1,0,1,0,0|1,0,0]=3 10674 B9R1.22 O=C1C[C@H](O)[C@@H](CBr)O1 Amb25176060 [0,1,0,1,0,0|1,0,0]=3 10675 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 Amb20242107 [0,1,0,1,0,0|1,0,0]=3 10676 B9R1.22 O=C1C[C@H](O)[C@H](CO)O1 Amb26419790 [0,1,0,1,0,0|1,0,0]=3 10677 B9R1.25 C=C1C(CC)C1C(=O)O Amb27635776 [0,1,0,1,0,0|0,0,1]=3 10678 B9R1.25 CCC1C(Cl)C1C(=O)O Amb32656378 [0,1,0,1,0,0|0,0,0]=2 10679 B9R1.25 C[C@H]1[C@H](CO)[C@@H]1C(=O)O Amb28428452 [0,1,0,1,0,0|0,0,0]=2 10680 B9R1.25 C\C=C1/[C@@H](C)[C@H]1C(=O)O Amb27614281 [0,1,0,1,0,0|0,0,1]=3 10681 B9R1.25 C\C=C1\C(C)C1C(N)=O Amb27268408 [0,1,0,1,0,0|1,0,1]=4 10682 B9R1.34 CC1=CC(=O)CC(C)C1 Amb4605909 [0,1,0,1,0,0|1,0,0]=3 10683 B9R1.34 CC1=CC(=O)CC(C)O1 Amb25267464 [0,1,0,1,0,0|1,0,1]=4 10684 B9R1.34 CC1=CC(=O)NC(C)C1 Amb27852830 [0,1,0,1,0,0|2,0,0]=4 10685 B9R1.34 CC1=CC(C)CC(=O)C1 Amb26515881 [0,1,0,1,0,0|1,0,1]=4 10686 B9R1.34 CC1=CC(C)CC(=O)O1 Amb27812237 [0,1,0,1,0,0|0,0,1]=3 10687 B9R1.34 CC1=CC(C)CC(C)C1 Amb27448286 [0,1,0,1,0,0|2,0,0]=4 10688 B9R1.34 CC1=CC(O)CC(=O)O1 Amb16231305 [0,1,0,1,0,0|1,0,1]=4 10689 B9R1.34 CC1=CC(O)CC(C)C1 Amb27255196 [0,1,0,1,0,0|1,0,1]=4 10690 B9R1.34 CC1=C[C@@H](O)C[C@@H](C)C1 Amb27184430 [0,1,0,1,0,0|1,0,1]=4 10691 B9R1.34 CC1=C[C@@H](O)C[C@H](C)C1 Amb28131011 [0,1,0,1,0,0|1,0,1]=4 10692 B9R1.34 CC1=C[C@H](Cl)C[C@H](C)C1 Amb27233565 [0,1,0,1,0,0|2,0,0]=4 10693 B9R1.34 CC1=NC(C)NC(=O)C1 Amb32418263 [0,1,0,1,0,0|1,0,1]=4 10694 B9R1.34 CC1CC(=O)C=C(Cl)C1 Amb7094066 [0,1,0,1,0,0|1,0,1]=4 10695 B9R1.34 CC1CC(=O)C=C(N)C1 Amb7094072 [0,1,0,1,0,0|1,0,1]=4 10696 B9R1.34 CC1CC(=O)CC(=O)C1 Amb772649 [0,1,0,1,0,0|1,0,1]=4 10697 B9R1.34 CC1CC(=O)CC(=O)O1 Amb24422515 [0,1,0,1,0,0|1,0,1]=4 10698 B9R1.34 CC1CC(=O)CC(C)C1 Amb4035859 [0,1,0,1,0,0|1,0,0]=3 10699 B9R1.34 CC1CC(=O)CC(C)N1 Amb18642530 [0,1,0,1,0,0|1,0,0]=3 10700 B9R1.34 CC1CC(=O)CC(C)N1 Amb33548980 [0,1,0,1,0,0|1,0,0]=3 10701 B9R1.34 CC1CC(=O)CC(C)O1 Amb10072038 [0,1,0,1,0,0|1,0,0]=3 10702 B9R1.34 CC1CC(=O)CC(C)S1 Amb25859985 [0,1,0,1,0,0|1,0,0]=3 10703 B9R1.34 CC1CC(=O)CN(C)C1 Amb2369958 [0,1,0,1,0,0|1,0,0]=3 10704 B9R1.34 CC1CC(=O)C[C@@H](C)C1 Amb28201262 [0,1,0,1,0,0|1,0,0]=3 10705 B9R1.34 CC1CC(=O)NC(=O)C1 Amb17940391 [0,1,0,1,0,0|1,0,1]=4 10706 B9R1.34 CC1CC(=O)NC(C)C1 Amb27760003 [0,1,0,1,0,0|1,0,0]=3 10707 B9R1.34 CC1CC(=O)OC(=O)C1 Amb534202 [0,1,0,1,0,0|0,0,1]=3 10708 B9R1.34 CC1CC(=O)OC(=O)N1 Amb28285254 [0,1,0,1,0,0|1,0,1]=4 10709 B9R1.34 CC1CC(C)CC(O)C1 Amb19514923 [0,1,0,1,0,0|1,0,1]=4 10710 B9R1.34 CC1CC(C)NC(=O)N1 Amb27974674 [0,1,0,1,0,0|2,0,0]=4 10711 B9R1.34 CC1CC(C)OC(O)C1 Amb27805325 [0,1,0,1,0,0|0,0,2]=4 10712 B9R1.34 CC1CC(Cl)OC(Cl)C1 Amb27485254 [0,1,0,1,0,0|1,0,1]=4 10713 B9R1.34 CC1CC(N)=NC(C)C1 Amb25766396 [0,1,0,1,0,0|2,0,0]=4 10714 B9R1.34 CC1CC(O)CC(=O)N1 Amb27257554 [0,1,0,1,0,0|2,0,0]=4 10715 B9R1.34 CC1CC(O)CC(=O)O1 Amb23455145 [0,1,0,1,0,0|1,0,0]=3 10716 B9R1.34 CC1CC(O)CC(C)N1 Amb2697842 [0,1,0,1,0,0|1,0,1]=4 10717 B9R1.34 CC1CC(O)CC(C)O1 Amb19892414 [0,1,0,1,0,0|1,0,1]=4 10718 B9R1.34 CC1CC(O)CN(C)C1 Amb1017305 [0,1,0,1,0,0|1,0,1]=4 10719 B9R1.34 CC1CC(O)NC(=O)N1 Amb27768639 [0,1,0,1,0,0|2,0,0]=4 10720 B9R1.34 CC1CC(O)OC(C)O1 Amb27249475 [0,1,0,1,0,0|0,0,2]=4 10721 B9R1.34 CC1CS(=O)CC(C)N1 Amb27445342 [0,1,0,1,0,0|2,0,0]=4 10722 B9R1.34 CC1C[C@@H](O)C[C@H](O)C1 Amb28063780 [0,1,0,1,0,0|1,0,1]=4 10723 B9R1.34 CC1NC(=O)CC(O)N1 Amb28205706 [0,1,0,1,0,0|2,0,0]=4 10724 B9R1.34 CC1NC(=O)NC(C)N1 Amb27461828 [0,1,0,1,0,0|2,0,0]=4 10725 B9R1.34 CC1OC(O)C[C@@H](C)O1 Amb27981964 [0,1,0,1,0,0|0,0,2]=4 10726 B9R1.34 CC1OC(O)C[C@H](C)O1 Amb27956640 [0,1,0,1,0,0|0,0,2]=4 10727 B9R1.34 CN1CC(=O)OC(=O)C1 Amb24673917 [0,1,0,1,0,0|1,0,1]=4 10728 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)C1 Amb27855014 [0,1,0,1,0,0|1,0,0]=3 10729 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Amb24056554 [0,1,0,1,0,0|1,0,0]=3 10730 B9R1.34 C[C@@H]1CC(=O)C[C@H](C)C1 Amb24568269 [0,1,0,1,0,0|1,0,0]=3 10731 B9R1.34 C[C@@H]1CC(O)C[C@@H](C)C1 Amb27211586 [0,1,0,1,0,0|1,0,1]=4 10732 B9R1.34 C[C@@H]1CC(O)C[C@@H](C)N1 Amb24580385 [0,1,0,1,0,0|1,0,1]=4 10733 B9R1.34 C[C@@H]1CC(O)C[C@@H](C)O1 Amb28435705 [0,1,0,1,0,0|1,0,1]=4 10734 B9R1.34 C[C@@H]1CC(O)C[C@H](C)C1 Amb27451589 [0,1,0,1,0,0|1,0,1]=4 10735 B9R1.34 C[C@@H]1C[C@H](N)CC(=O)N1 Amb28134031 [0,1,0,1,0,0|2,0,0]=4 10736 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Amb22751257 [0,1,0,1,0,0|1,0,0]=3 10737 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 Amb27629476 [0,1,0,1,0,0|1,0,0]=3 10738 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 Amb24620055 [0,1,0,1,0,0|1,0,0]=3 10739 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)S1 Amb28141405 [0,1,0,1,0,0|1,0,0]=3 10740 B9R1.34 C[C@H]1C[C@@H](C)CC(=O)N1 Amb33484017 [0,1,0,1,0,0|1,0,0]=3 10741 B9R1.34 C[C@H]1C[C@@H](C)CC(N)=N1 Amb26578866 [0,1,0,1,0,0|2,0,0]=4 10742 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Amb27205445 [0,1,0,1,0,0|1,0,1]=4 10743 B9R1.34 C[C@H]1C[C@H](O)CN(C)C1 Amb27218923 [0,1,0,1,0,0|1,0,1]=4 10744 B9R1.34 C[C@H]1C[C@H](O)C[C@H](O)C1 Amb27405103 [0,1,0,1,0,0|1,0,1]=4 10745 B9R1.34 N[C@@H]1CC(=O)C[C@H](N)C1 Amb28326235 [0,1,0,1,0,0|2,0,0]=4 10746 B9R1.34 O=C1CC(I)CC(O)N1 Amb27451041 [0,1,0,1,0,0|2,0,0]=4 10747 B9R1.34 O=C1C[C@@H](O)C[C@@H](O)C1 Amb27838772 [0,1,0,1,0,0|2,0,0]=4 10748 B9R1.34 O=C1C[C@H](O)C[C@@H](O)C1 Amb28074737 [0,1,0,1,0,0|2,0,0]=4 10749 B9R1.38 CC1(C)CC(=O)OC1=O Amb2687615 [0,1,0,1,0,0|1,0,1]=4 10750 B9R1.38 CC1(C)NC(=O)CC1N Amb34932666 [0,1,0,1,0,0|2,0,0]=4 10751 B9R1.38 CC1(C)OC(=O)CC1=O Amb27838818 [0,1,0,1,0,0|1,0,1]=4 10752 B9R1.38 CC1(C)OC(=O)C[C@H]1O Amb27208228 [0,1,0,1,0,0|1,0,0]=3 10753 B9R1.38 CC1(C)SC(=O)CC1N Amb28367437 [0,1,0,1,0,0|1,1,0]=4 10754 B9R1.38 CC1(Cl)OC(=O)OC1F Amb27955117 [0,1,0,1,0,0|2,0,0]=4 10755 B9R1.38 CC1(F)OC(=O)OC1Cl Amb26390809 [0,1,0,1,0,0|2,0,0]=4 10756 B9R1.38 CC1=CC(=O)CC1(C)C Amb16191973 [0,1,0,1,0,0|1,0,1]=4 10757 B9R1.38 CC1=CC(=O)CC1(C)O Amb27838694 [0,1,0,1,0,0|1,0,1]=4 10758 B9R1.38 CC1=CC(=O)OC1(C)C Amb32664388 [0,1,0,1,0,0|0,0,2]=4 10759 B9R1.38 CC1CC(=O)NC1(C)C Amb19516972 [0,1,0,1,0,0|1,0,0]=3 10760 B9R1.38 CC1CC(=O)OC1(C)C Amb28206444 [0,1,0,1,0,0|0,0,0]=2 10761 B9R1.38 CC1CC(=S)NC1(C)C Amb27799257 [0,1,0,1,0,0|1,1,0]=4 10762 B9R1.38 CC1CC(C)(N)C(C)O1 Amb32654935 [0,1,0,1,0,0|1,0,1]=4 10763 B9R1.38 CC1CC(C)C(C)(O)C1 Amb27488714 [0,1,0,1,0,0|1,0,1]=4 10764 B9R1.38 CC1CC(C)S(=O)(=O)C1 Amb2227622 [0,1,0,1,0,0|1,0,1]=4 10765 B9R1.38 CC1C[C@@H](N)P(=O)(O)O1 Amb27230015 [0,1,0,1,0,0|2,0,0]=4 10766 B9R1.38 CC1NC(=O)CC1(C)C Amb24618176 [0,1,0,1,0,0|1,0,0]=3 10767 B9R1.38 CC1NC(=O)NC1(C)C Amb27945549 [0,1,0,1,0,0|2,0,0]=4 10768 B9R1.38 CC1NC(=O)OC1(C)C Amb28457652 [0,1,0,1,0,0|1,0,0]=3 10769 B9R1.38 CC1NC(=S)OC1(C)C Amb28285111 [0,1,0,1,0,0|1,1,0]=4 10770 B9R1.38 CC1OC(=O)CC1(C)C Amb26942367 [0,1,0,1,0,0|0,0,0]=2 10771 B9R1.38 CN1CC(=O)CC1(C)C Amb26496918 [0,1,0,1,0,0|2,0,0]=4 10772 B9R1.44 CC(=O)CC1(C)OC1C Amb28054341 [0,1,0,1,0,0|1,0,0]=3 10773 B9R1.44 CC(=O)OC1(C)CC1C Amb27837613 [0,1,0,1,0,0|2,0,0]=4 10774 B9R1.44 CC1(CC(=O)O)CC1F Amb32664391 [0,1,0,1,0,0|0,0,0]=2 10775 B9R1.44 CC1CC1(N)CC(=O)O Amb27816522 [0,1,0,1,0,0|0,0,0]=2 10776 B9R1.44 CC1CC1(N)CC(N)=O Amb27631646 [0,1,0,1,0,0|1,0,0]=3 10777 B9R1.48 CC1=NCCNC(=O)C1 Amb28187399 [0,1,0,1,0,0|1,0,1]=4 10778 B9R1.48 CC1C=CCOC(=O)N1 Amb28049860 [0,1,0,1,0,0|1,0,1]=4 10779 B9R1.48 CC1CC(=O)NCCN1 Amb18832620 [0,1,0,1,0,0|1,0,0]=3 10780 B9R1.48 CC1CC(=O)NCCO1 Amb27244386 [0,1,0,1,0,0|1,0,0]=3 10781 B9R1.48 CC1CC(=O)NCCS1 Amb22642277 [0,1,0,1,0,0|1,0,0]=3 10782 B9R1.48 CC1CCC=CC(=O)C1 Amb28460736 [0,1,0,1,0,0|1,0,0]=3 10783 B9R1.48 CC1CCC=CC(O)C1 Amb28400665 [0,1,0,1,0,0|1,0,1]=4 10784 B9R1.48 CC1CCCCC(=O)C1 Amb17593325 [0,1,0,1,0,0|1,0,0]=3 10785 B9R1.48 CC1CCCCC(=O)N1 Amb22434912 [0,1,0,1,0,0|2,0,0]=4 10786 B9R1.48 CC1CCCCC(=O)O1 Amb27792220 [0,1,0,1,0,0|2,0,0]=4 10787 B9R1.48 CC1CCCCC(O)C1 Amb28051128 [0,1,0,1,0,0|1,0,1]=4 10788 B9R1.48 CC1CCCNC(=O)C1 Amb28364919 [0,1,0,1,0,0|1,0,0]=3 10789 B9R1.48 CC1CNCCC(=O)N1 Amb27838526 [0,1,0,1,0,0|2,0,0]=4 10790 B9R1.48 CC1CNCCS(=O)C1 Amb26610537 [0,1,0,1,0,0|2,0,0]=4 10791 B9R1.48 CC1CNCCS(=O)C1 Amb28555360 [0,1,0,1,0,0|2,0,0]=4 10792 B9R1.48 CC1COCCC(=O)N1 Amb28123242 [0,1,0,1,0,0|2,0,0]=4 10793 B9R1.48 CC1CSCCC(=O)N1 Amb27253792 [0,1,0,1,0,0|2,0,0]=4 10794 B9R1.48 CN1CCCNC(=O)C1 Amb28282218 [0,1,0,1,0,0|2,0,0]=4 10795 B9R1.48 C[C@@H]1CC(=O)NCCN1 Amb26457829 [0,1,0,1,0,0|1,0,0]=3 10796 B9R1.48 C[C@@H]1CCCCC(=O)C1 Amb26030783 [0,1,0,1,0,0|1,0,0]=3 10797 B9R1.48 C[C@@H]1CCCNC(=O)C1 Amb28241573 [0,1,0,1,0,0|1,0,0]=3 10798 B9R1.48 C[C@H]1CCCNC(=O)C1 Amb27174761 [0,1,0,1,0,0|1,0,0]=3 10799 B9R1.48 O=C1C=CCC[C@H](O)C1 Amb27838758 [0,1,0,1,0,0|2,0,0]=4 10800 B9R1.48 O=C1CCCCC(O)C1 Amb27838745 [0,1,0,1,0,0|2,0,0]=4 10801 B9R1.48 O=C1CCCC[C@H](O)C1 Amb27618242 [0,1,0,1,0,0|2,0,0]=4 10802 B9R1.52 C=C1CC(N)C1C(=O)O Amb27590177 [0,1,0,1,0,0|0,0,2]=4 10803 B9R1.52 CC(=O)C1=C(C)CC1C Amb25879399 [0,1,0,1,0,0|1,0,1]=4 10804 B9R1.52 CC(=O)N1C(C)CC1C Amb27180757 [0,1,0,1,0,0|2,0,0]=4 10805 B9R1.52 CC1=CC(C)C1C(=O)O Amb28281140 [0,1,0,1,0,0|0,0,1]=3 10806 B9R1.52 CC1CC(O)C1C(=O)O Amb28076807 [0,1,0,1,0,0|0,0,0]=2 10807 B9R1.52 CC1CN(C)[C@@H]1C(=O)O Amb30869400 [0,1,0,1,0,0|0,0,0]=2 10808 B9R1.52 CC1CN(C)[C@H]1C(=O)O Amb34915559 [0,1,0,1,0,0|0,0,0]=2 10809 B9R1.52 C[C@H]1C[C@@H](O)[C@H]1C(=O)O Amb28057126 [0,1,0,1,0,0|0,0,0]=2 10810 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [0,1,0,1,0,0|0,0,1]=3 10811 B9R1.53 C=C1CN(CC(=O)O)C1 Amb30026788 [0,1,0,1,0,0|1,0,1]=4 10812 B9R1.53 CC(=O)CC1CC(C)C1 Amb28141809 [0,1,0,1,0,0|1,0,0]=3 10813 B9R1.53 CC(=O)CC1CC(N)C1 Amb33132563 [0,1,0,1,0,0|1,0,0]=3 10814 B9R1.53 CC(=O)C[C@H]1C[C@H](C)C1 Amb28193019 [0,1,0,1,0,0|1,0,0]=3 10815 B9R1.53 CC(=O)NC1CC(C)C1 Amb27465175 [0,1,0,1,0,0|2,0,0]=4 10816 B9R1.53 CC(=O)NC1CC(N)C1 Amb30594183 [0,1,0,1,0,0|2,0,0]=4 10817 B9R1.53 CC(=O)NC1CC(N)C1 Amb9458539 [0,1,0,1,0,0|2,0,0]=4 10818 B9R1.53 CC(=O)NC1CN(C)C1 Amb28383021 [0,1,0,1,0,0|2,0,0]=4 10819 B9R1.53 CC(=O)N[C@H]1C[C@H](N)C1 Amb27881328 [0,1,0,1,0,0|2,0,0]=4 10820 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 Amb34156629 [0,1,0,1,0,0|2,0,0]=4 10821 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 Amb25777769 [0,1,0,1,0,0|2,0,0]=4 10822 B9R1.53 CC(=O)SC1CC(F)C1 Amb34136222 [0,1,0,1,0,0|2,0,0]=4 10823 B9R1.53 CC1CC(CC(=O)O)C1 Amb27461451 [0,1,0,1,0,0|0,0,0]=2 10824 B9R1.53 CC1CC(CS(=O)Cl)C1 Amb32720979 [0,1,0,1,0,0|2,0,0]=4 10825 B9R1.53 CC1CC(CS(N)=O)C1 Amb32720992 [0,1,0,1,0,0|2,0,0]=4 10826 B9R1.53 CC1CC(NC(=O)Cl)C1 Amb35631524 [0,1,0,1,0,0|2,0,0]=4 10827 B9R1.53 CC1CN(CC(=O)O)C1 Amb27838507 [0,1,0,1,0,0|1,0,0]=3 10828 B9R1.53 CC1CN(CC(=O)O)C1 Amb32661050 [0,1,0,1,0,0|1,0,0]=3 10829 B9R1.53 CC1CN(CC(N)=O)C1 Amb35587579 [0,1,0,1,0,0|2,0,0]=4 10830 B9R1.53 CN1CC(CC(=O)O)C1 Amb26596162 [0,1,0,1,0,0|0,0,0]=2 10831 B9R1.53 CN1CC(CC(=O)O)C1 Amb28895941 [0,1,0,1,0,0|0,0,0]=2 10832 B9R1.53 CN1CC(NC(=O)Cl)C1 Amb35633536 [0,1,0,1,0,0|2,0,0]=4 10833 B9R1.53 CS(=O)CC1CC(N)C1 Amb30040100 [0,1,0,1,0,0|2,0,0]=4 10834 B9R1.53 C[C@H]1C[C@H](CC(=O)O)C1 Amb27859343 [0,1,0,1,0,0|0,0,0]=2 10835 B9R1.53 NC(=O)CC1CC(N)C1 Amb32682490 [0,1,0,1,0,0|1,0,0]=3 10836 B9R1.53 NC(=O)CC1CC(N)C1 Amb32682492 [0,1,0,1,0,0|1,0,0]=3 10837 B9R1.53 NC(=O)CN1CC(N)C1 Amb28287183 [0,1,0,1,0,0|2,0,0]=4 10838 B9R1.53 NC(=O)NC1CC(N)C1 Amb33527601 [0,1,0,1,0,0|2,0,0]=4 10839 B9R1.53 NC(=O)NC1CC(N)C1 Amb9460200 [0,1,0,1,0,0|2,0,0]=4 10840 B9R1.53 NC(=S)CC1CC(F)C1 Amb33330076 [0,1,0,1,0,0|1,1,0]=4 10841 B9R1.53 NC1CC(CC(=O)O)C1 Amb23440231 [0,1,0,1,0,0|0,0,0]=2 10842 B9R1.53 NC1CC(CC(=O)O)C1 Amb30585228 [0,1,0,1,0,0|0,0,0]=2 10843 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb23440232 [0,1,0,1,0,0|0,0,0]=2 10844 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb24056536 [0,1,0,1,0,0|0,0,0]=2 10845 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb23440233 [0,1,0,1,0,0|0,0,0]=2 10846 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb31291707 [0,1,0,1,0,0|0,0,0]=2 10847 B9R1.53 O=C(Cl)O[C@H]1C[C@H](Br)C1 Amb33297200 [0,1,0,1,0,0|2,0,0]=4 10848 B9R1.53 O=C(Cl)O[C@H]1C[C@H](Cl)C1 Amb33297198 [0,1,0,1,0,0|2,0,0]=4 10849 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [0,1,0,1,0,0|0,0,1]=3 10850 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [0,1,0,1,0,0|1,0,1]=4 10851 B9R1.53 O=C(O)CC1CC(F)C1 Amb27186311 [0,1,0,1,0,0|0,0,0]=2 10852 B9R1.53 O=C(O)CN1CC(O)C1 Amb25339150 [0,1,0,1,0,0|1,0,0]=3 10853 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [0,1,0,1,0,0|0,0,0]=2 10854 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [0,1,0,1,0,0|0,0,0]=2 10855 B9R1.53 O=C([O-])CN1CC(O)C1 Amb35751645 [0,1,0,1,0,0|1,0,1]=4 10856 B9R1.59 C=C(C)C1CC1CCO Amb28400433 [0,1,0,1,0,0|2,0,0]=4 10857 B9R1.59 C=C=CC1CC1C(=O)O Amb27257717 [0,1,0,1,0,0|0,0,2]=4 10858 B9R1.59 CC#CC1CC1C(=O)O Amb27406350 [0,1,0,1,0,0|0,0,1]=3 10859 B9R1.59 CC#C[C@@H]1C[C@H]1C(=O)O Amb27789635 [0,1,0,1,0,0|0,0,1]=3 10860 B9R1.59 CC(=O)C1CC1CC=O Amb28058511 [0,1,0,1,0,0|1,0,1]=4 10861 B9R1.59 CC(=O)[C@@H]1C[C@@H]1CC=O Amb27229169 [0,1,0,1,0,0|1,0,1]=4 10862 B9R1.59 CCCC1CC1C(=O)O Amb19001459 [0,1,0,1,0,0|0,0,0]=2 10863 B9R1.59 CCCC1OC1C(=O)O Amb24561183 [0,1,0,1,0,0|1,0,0]=3 10864 B9R1.59 CCCC1OC1C(C)=O Amb25888683 [0,1,0,1,0,0|2,0,0]=4 10865 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O Amb9901777 [0,1,0,1,0,0|0,0,0]=2 10866 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Amb25368727 [0,1,0,1,0,0|0,0,0]=2 10867 B9R1.59 CCC[C@@H]1C[C@H]1C(N)=O Amb27837259 [0,1,0,1,0,0|1,0,0]=3 10868 B9R1.59 CCC[C@@H]1O[C@H]1C(=O)O Amb27422047 [0,1,0,1,0,0|1,0,0]=3 10869 B9R1.59 CCC[C@@H]1O[C@H]1C(C)=O Amb24366229 [0,1,0,1,0,0|2,0,0]=4 10870 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O Amb27782329 [0,1,0,1,0,0|0,0,0]=2 10871 B9R1.59 CCC[C@H]1O[C@@H]1C(=O)O Amb27625884 [0,1,0,1,0,0|1,0,0]=3 10872 B9R1.59 CCC[C@H]1O[C@@H]1C(C)=O Amb28325243 [0,1,0,1,0,0|2,0,0]=4 10873 B9R1.59 CCOC1CC1C(=O)Cl Amb35717348 [0,1,0,1,0,0|1,0,0]=3 10874 B9R1.59 CCOC1CC1C(=O)O Amb9677563 [0,1,0,1,0,0|0,0,0]=2 10875 B9R1.59 CCOC1CC1C(C)=O Amb27838755 [0,1,0,1,0,0|1,0,0]=3 10876 B9R1.59 CCOC1CC1C(C)O Amb28049260 [0,1,0,1,0,0|1,0,1]=4 10877 B9R1.59 CCO[C@@H]1C[C@@H]1C(=O)O Amb27818165 [0,1,0,1,0,0|0,0,0]=2 10878 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O Amb25959626 [0,1,0,1,0,0|0,0,0]=2 10879 B9R1.59 COCC1CC1C(=O)O Amb27404704 [0,1,0,1,0,0|0,0,0]=2 10880 B9R1.59 COC[C@@H]1C[C@H]1B(O)O Amb24443354 [0,1,0,1,0,0|1,0,1]=4 10881 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O Amb33098418 [0,1,0,1,0,0|0,0,0]=2 10882 B9R1.59 COC[C@H]1C[C@H]1C(=O)O Amb33098416 [0,1,0,1,0,0|0,0,0]=2 10883 B9R1.59 CSCC1CC1C(=O)O Amb33272939 [0,1,0,1,0,0|0,0,0]=2 10884 B9R1.59 CSC[C@@H]1C[C@H]1C(=O)O Amb33272937 [0,1,0,1,0,0|0,0,0]=2 10885 B9R1.59 C\C=C\C1CC1C(=O)O Amb27169581 [0,1,0,1,0,0|0,0,1]=3 10886 B9R1.59 C\C=C\[C@@H]1C[C@H]1C(=O)O Amb27771439 [0,1,0,1,0,0|0,0,1]=3 10887 B9R1.59 O=C(O)C1CC1CCF Amb33196442 [0,1,0,1,0,0|0,0,0]=2 10888 B9R1.59 O=C(O)[C@@H]1C[C@H]1CCF Amb33196453 [0,1,0,1,0,0|0,0,0]=2 10889 B9R1.66 C=C1CCCC(C)(C)C1 Amb27171015 [0,1,0,1,0,0|2,0,0]=4 10890 B9R1.66 CC1(C)C=COC(=O)C1 Amb26551706 [0,1,0,1,0,0|0,0,2]=4 10891 B9R1.66 CC1(C)CC(=O)CCN1 Amb18832677 [0,1,0,1,0,0|2,0,0]=4 10892 B9R1.66 CC1(C)CC(=O)CCN1 Amb22756378 [0,1,0,1,0,0|2,0,0]=4 10893 B9R1.66 CC1(C)CC(=O)CCO1 Amb533122 [0,1,0,1,0,0|2,0,0]=4 10894 B9R1.66 CC1(C)CC(=O)CCS1 Amb17593636 [0,1,0,1,0,0|2,0,0]=4 10895 B9R1.66 CC1(C)CC=CC(=O)C1 Amb9782605 [0,1,0,1,0,0|1,0,1]=4 10896 B9R1.66 CC1(C)CCCC(=O)C1 Amb13883565 [0,1,0,1,0,0|1,0,0]=3 10897 B9R1.66 CC1(C)CCCC(=O)N1 Amb26079134 [0,1,0,1,0,0|2,0,0]=4 10898 B9R1.66 CC1(C)CCCC(=O)O1 Amb25863489 [0,1,0,1,0,0|2,0,0]=4 10899 B9R1.66 CC1(C)CCCC(O)C1 Amb4034655 [0,1,0,1,0,0|1,0,1]=4 10900 B9R1.66 CC1(C)CCNC(=O)C1 Amb24451332 [0,1,0,1,0,0|1,0,0]=3 10901 B9R1.66 CC1(C)CCOC(=O)C1 Amb27826965 [0,1,0,1,0,0|0,0,0]=2 10902 B9R1.66 CC1(C)CCOC(O)C1 Amb28315463 [0,1,0,1,0,0|0,0,2]=4 10903 B9R1.66 CC1(C)COCC(=O)C1 Amb26515851 [0,1,0,1,0,0|2,0,0]=4 10904 B9R1.66 CC1(N)CCCC(O)C1 Amb27186457 [0,1,0,1,0,0|1,0,1]=4 10905 B9R1.66 CC1(O)CCCC(=O)C1 Amb28202235 [0,1,0,1,0,0|1,0,0]=3 10906 B9R1.66 CC1(O)CCOC(=O)C1 Amb2695275 [0,1,0,1,0,0|0,0,0]=2 10907 B9R1.66 CC1(S)CCCC(O)C1 Amb27203793 [0,1,0,1,0,0|1,0,1]=4 10908 B9R1.66 CC1CC(C)(N)CCO1 Amb32654929 [0,1,0,1,0,0|1,0,1]=4 10909 B9R1.66 CC1CC(C)(N)CCO1 Amb32674661 [0,1,0,1,0,0|1,0,1]=4 10910 B9R1.66 CC1CC(C)(O)CCN1 Amb25303339 [0,1,0,1,0,0|1,0,1]=4 10911 B9R1.66 CC1CC(C)(O)CCO1 Amb26952131 [0,1,0,1,0,0|1,0,1]=4 10912 B9R1.66 CC1CCCC(C)(O)C1 Amb9675873 [0,1,0,1,0,0|1,0,1]=4 10913 B9R1.66 CC1CCOP(=O)(O)O1 Amb27493323 [0,1,0,1,0,0|2,0,0]=4 10914 B9R1.66 CC1CCOS(=O)(=O)O1 Amb25111500 [0,1,0,1,0,0|2,0,0]=4 10915 B9R1.66 CC1CNCC(C)(O)C1 Amb35728797 [0,1,0,1,0,0|1,0,1]=4 10916 B9R1.66 CC1CS(=O)(=O)CCN1 Amb19515399 [0,1,0,1,0,0|1,0,1]=4 10917 B9R1.66 CC1CS(=O)(=O)CCN1 Amb32758712 [0,1,0,1,0,0|1,0,1]=4 10918 B9R1.66 CC1CS(=O)(=O)CCO1 Amb2736270 [0,1,0,1,0,0|1,0,1]=4 10919 B9R1.66 C[C@@H]1CS(=O)(=O)CCN1 Amb24652818 [0,1,0,1,0,0|1,0,1]=4 10920 B9R1.66 C[C@@H]1CS(=O)(=O)CCN1 Amb33621085 [0,1,0,1,0,0|1,0,1]=4 10921 B9R1.66 C[C@@]1(F)CCC[C@@H](O)C1 Amb27857867 [0,1,0,1,0,0|1,0,1]=4 10922 B9R1.66 C[C@@]1(O)CCOC(=O)C1 Amb22388612 [0,1,0,1,0,0|0,0,0]=2 10923 B9R1.66 C[C@@]1(S)CCC[C@@H](O)C1 Amb28079180 [0,1,0,1,0,0|1,0,1]=4 10924 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 Amb25246713 [0,1,0,1,0,0|1,0,1]=4 10925 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 Amb33621086 [0,1,0,1,0,0|1,0,1]=4 10926 B9R1.66 C[C@]1(O)CCOC(O)C1 Amb27481407 [0,1,0,1,0,0|0,0,2]=4 10927 B9R1.66 O=C1CC(F)(F)CCN1 Amb24567328 [0,1,0,1,0,0|2,0,0]=4 10928 B9R1.66 O=C1CCCC(F)(F)C1 Amb24543971 [0,1,0,1,0,0|2,0,0]=4 10929 B9R1.75 CCCC(C)CC1CO1 Amb25769573 [0,1,0,1,0,0|1,0,1]=4 10930 B9R1.75 CCOC(C)CC1CO1 Amb33225078 [0,1,0,1,0,0|1,0,1]=4 10931 B9R1.136 CCNC1CS(=O)(=O)C1 Amb26530509 [0,1,0,1,0,0|1,0,1]=4 10932 B9R1.136 CNCC1CS(=O)(=O)C1 Amb27476607 [0,1,0,1,0,0|1,0,1]=4 10933 B9R1.136 NCCC1CS(=O)(=O)C1 Amb32758740 [0,1,0,1,0,0|1,0,1]=4 10934 B9R1.136 O=S1(=O)CC(CCBr)C1 Amb24645610 [0,1,0,1,0,0|1,0,1]=4 10935 B9R1.137 CC(=O)CC(C)C1CC1 Amb25877260 [0,1,0,1,0,0|1,0,0]=3 10936 B9R1.137 CC(=O)CC(N)C1CC1 Amb27228240 [0,1,0,1,0,0|2,0,0]=4 10937 B9R1.137 CC(=O)OC(C)C1CC1 Amb4418355 [0,1,0,1,0,0|2,0,0]=4 10938 B9R1.137 CC(=O)O[C@H](C)C1CC1 Amb28049288 [0,1,0,1,0,0|2,0,0]=4 10939 B9R1.137 CC(CC(=N)N)C1CC1 Amb32729505 [0,1,0,1,0,0|2,0,0]=4 10940 B9R1.137 CC(CC(=O)O)C1CC1 Amb6749210 [0,1,0,1,0,0|0,0,0]=2 10941 B9R1.137 CC(CC(N)=S)C1CC1 Amb32729514 [0,1,0,1,0,0|1,1,0]=4 10942 B9R1.137 CC(CS(=O)Cl)C1CC1 Amb32720647 [0,1,0,1,0,0|2,0,0]=4 10943 B9R1.137 CC(CS(N)=O)C1CC1 Amb32720637 [0,1,0,1,0,0|2,0,0]=4 10944 B9R1.137 CC(C[C@@H](C)O)C1CC1 Amb32728774 [0,1,0,1,0,0|1,0,1]=4 10945 B9R1.137 CC(C[C@H](C)O)C1CC1 Amb32728773 [0,1,0,1,0,0|1,0,1]=4 10946 B9R1.137 CC(NC(=O)Cl)C1CC1 Amb35625512 [0,1,0,1,0,0|2,0,0]=4 10947 B9R1.137 CC(NC(N)=O)C1CC1 Amb341486 [0,1,0,1,0,0|2,0,0]=4 10948 B9R1.137 CN(CC(=O)O)C1CC1 Amb8892577 [0,1,0,1,0,0|1,0,0]=3 10949 B9R1.137 C\C(=C/C(=O)O)C1CC1 Amb10609547 [0,1,0,1,0,0|0,0,2]=4 10950 B9R1.137 C\C(=C\C(=O)O)C1CC1 Amb10718081 [0,1,0,1,0,0|0,0,2]=4 10951 B9R1.137 NC(=O)CC(N)C1CC1 Amb18988331 [0,1,0,1,0,0|2,0,0]=4 10952 B9R1.137 NC(=O)CC(N)C1CC1 Amb33549860 [0,1,0,1,0,0|2,0,0]=4 10953 B9R1.137 NC(=O)C[C@@H](N)C1CC1 Amb25259754 [0,1,0,1,0,0|2,0,0]=4 10954 B9R1.137 NC(=O)C[C@H](N)C1CC1 Amb28347712 [0,1,0,1,0,0|2,0,0]=4 10955 B9R1.137 NC(CC(=O)O)C1CC1 Amb2683273 [0,1,0,1,0,0|1,0,0]=3 10956 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb26989123 [0,1,0,1,0,0|1,0,0]=3 10957 B9R1.137 N[C@@H](CC(=O)O)C1CC1 Amb33329309 [0,1,0,1,0,0|1,0,0]=3 10958 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb24349802 [0,1,0,1,0,0|1,0,0]=3 10959 B9R1.137 N[C@H](CC(=O)O)C1CC1 Amb33329112 [0,1,0,1,0,0|1,0,0]=3 10960 B9R1.137 O=C(O)CC(=O)C1CC1 Amb10576272 [0,1,0,1,0,0|1,0,1]=4 10961 B9R1.137 O=C(O)CC(O)C1CC1 Amb17231863 [0,1,0,1,0,0|1,0,0]=3 10962 B9R1.137 O=C(O)C[C@@H](O)C1CC1 Amb25367343 [0,1,0,1,0,0|1,0,0]=3 10963 B9R1.137 O=C(O)C[C@H](O)C1CC1 Amb27468740 [0,1,0,1,0,0|1,0,0]=3 10964 B9R1.137 O=C([O-])CC(O)C1CC1 Amb31188275 [0,1,0,1,0,0|1,0,1]=4 10965 B9R1.171 C=C(C)CC1(N)CCC1 Amb35634487 [0,1,0,1,0,0|2,0,0]=4 10966 B9R1.171 CC(=O)CC1(C)CCC1 Amb27956527 [0,1,0,1,0,0|1,0,0]=3 10967 B9R1.171 CC(=O)CC1(C)COC1 Amb26542294 [0,1,0,1,0,0|1,0,0]=3 10968 B9R1.171 CC(=O)CC1(N)CCC1 Amb25889699 [0,1,0,1,0,0|1,0,0]=3 10969 B9R1.171 CC(=O)CC1(O)CCC1 Amb33295370 [0,1,0,1,0,0|1,0,0]=3 10970 B9R1.171 CC(=O)CC1(O)CNC1 Amb32943781 [0,1,0,1,0,0|2,0,0]=4 10971 B9R1.171 CC(=O)CC1(O)COC1 Amb32943788 [0,1,0,1,0,0|2,0,0]=4 10972 B9R1.171 CC(=O)NC1(C)CCC1 Amb16229572 [0,1,0,1,0,0|2,0,0]=4 10973 B9R1.171 CC(O)CC1(C)CCC1 Amb27866005 [0,1,0,1,0,0|1,0,1]=4 10974 B9R1.171 CC(O)CC1(C)COC1 Amb33203359 [0,1,0,1,0,0|1,0,1]=4 10975 B9R1.171 CC(O)CC1(N)CCC1 Amb26080254 [0,1,0,1,0,0|1,0,1]=4 10976 B9R1.171 CC(O)CC1(O)CCC1 Amb34148164 [0,1,0,1,0,0|1,0,1]=4 10977 B9R1.171 CC1(CC(=N)N)COC1 Amb33318564 [0,1,0,1,0,0|2,0,0]=4 10978 B9R1.171 CC1(CC(=O)O)CCC1 Amb22735897 [0,1,0,1,0,0|0,0,0]=2 10979 B9R1.171 CC1(CC(=O)O)COC1 Amb20671333 [0,1,0,1,0,0|0,0,0]=2 10980 B9R1.171 CC1(CC(=O)[O-])COC1 Amb30647393 [0,1,0,1,0,0|0,0,1]=3 10981 B9R1.171 CC1(CC(N)=S)COC1 Amb33318563 [0,1,0,1,0,0|1,1,0]=4 10982 B9R1.171 CC1(CS(=O)Cl)CCC1 Amb32720691 [0,1,0,1,0,0|2,0,0]=4 10983 B9R1.171 CC1(CS(=O)Cl)COC1 Amb32720385 [0,1,0,1,0,0|2,0,0]=4 10984 B9R1.171 CC1(CS(=O)[O-])CCC1 Amb32754856 [0,1,0,1,0,0|1,0,1]=4 10985 B9R1.171 CC1(CS(N)=O)CCC1 Amb32720681 [0,1,0,1,0,0|2,0,0]=4 10986 B9R1.171 CC1(CS(N)=O)COC1 Amb32720387 [0,1,0,1,0,0|2,0,0]=4 10987 B9R1.171 CC1(C[N+](=O)[O-])COC1 Amb33374021 [0,1,0,1,0,0|1,0,1]=4 10988 B9R1.171 CC1(NC(=O)Cl)CCC1 Amb35633260 [0,1,0,1,0,0|2,0,0]=4 10989 B9R1.171 CC1(NC(N)=O)CCC1 Amb27233165 [0,1,0,1,0,0|2,0,0]=4 10990 B9R1.171 CC1(NC(N)=O)CNC1 Amb27202707 [0,1,0,1,0,0|2,0,0]=4 10991 B9R1.171 CC1(OC(=O)Cl)COC1 Amb33297338 [0,1,0,1,0,0|2,0,0]=4 10992 B9R1.171 CN(O)CC1(C)COC1 Amb33314503 [0,1,0,1,0,0|2,0,0]=4 10993 B9R1.171 C[C@@H](O)CC1(C)COC1 Amb33374039 [0,1,0,1,0,0|1,0,1]=4 10994 B9R1.171 C[C@H](O)CC1(C)COC1 Amb33374040 [0,1,0,1,0,0|1,0,1]=4 10995 B9R1.171 NC(=O)CC1(N)CCC1 Amb20622461 [0,1,0,1,0,0|1,0,0]=3 10996 B9R1.171 NC(=O)CC1(N)CCC1 Amb22059756 [0,1,0,1,0,0|1,0,0]=3 10997 B9R1.171 NC(=O)CC1(N)COC1 Amb22039447 [0,1,0,1,0,0|2,0,0]=4 10998 B9R1.171 NC(=O)CC1(N)CSC1 Amb26530400 [0,1,0,1,0,0|2,0,0]=4 10999 B9R1.171 NC1(CC(=O)O)CCC1 Amb20623514 [0,1,0,1,0,0|0,0,0]=2 11000 B9R1.171 NC1(CC(=O)O)CCC1 Amb22059493 [0,1,0,1,0,0|0,0,0]=2 11001 B9R1.171 NC1(CC(=O)O)CNC1 Amb28049161 [0,1,0,1,0,0|1,0,0]=3 11002 B9R1.171 NC1(CC(=O)O)COC1 Amb20671385 [0,1,0,1,0,0|1,0,0]=3 11003 B9R1.171 NC1(CC(=O)O)COC1 Amb33067975 [0,1,0,1,0,0|1,0,0]=3 11004 B9R1.171 NC1(CC(=O)O)CSC1 Amb33253735 [0,1,0,1,0,0|1,0,0]=3 11005 B9R1.171 NS(=O)CC1(F)CCC1 Amb32720727 [0,1,0,1,0,0|2,0,0]=4 11006 B9R1.171 O=C(Br)CC1(Br)CCC1 Amb27808544 [0,1,0,1,0,0|1,0,0]=3 11007 B9R1.171 O=C(O)CC1(F)CCC1 Amb28428638 [0,1,0,1,0,0|0,0,0]=2 11008 B9R1.171 O=C(O)CC1(F)COC1 Amb24564061 [0,1,0,1,0,0|1,0,0]=3 11009 B9R1.171 O=C(O)CC1(O)CCC1 Amb18961452 [0,1,0,1,0,0|0,0,0]=2 11010 B9R1.171 O=C(O)CC1(O)CNC1 Amb25041173 [0,1,0,1,0,0|1,0,0]=3 11011 B9R1.171 O=C(O)CC1(O)COC1 Amb32696745 [0,1,0,1,0,0|1,0,0]=3 11012 B9R1.171 O=C(O)CC1(O)CSC1 Amb27781373 [0,1,0,1,0,0|1,0,0]=3 11013 B9R1.171 O=C(O)CC1(S)CNC1 Amb27451139 [0,1,0,1,0,0|1,0,0]=3 11014 B9R1.171 O=S(Cl)CC1(F)CCC1 Amb32720726 [0,1,0,1,0,0|2,0,0]=4 11015 B9R1.171 O=S([O-])CC1(F)CCC1 Amb32754875 [0,1,0,1,0,0|1,0,1]=4 11016 B9R1.171 O=[N+]([O-])CC1(O)CCC1 Amb19958573 [0,1,0,1,0,0|1,0,1]=4 11017 B9R1.177 CC1(CC#N)CC(=O)C1 Amb33715814 [0,1,0,1,0,0|1,0,1]=4 11018 B9R1.177 CC1(CCO)CC(=O)N1 Amb27798375 [0,1,0,1,0,0|1,0,0]=3 11019 B9R1.177 COCC1(C)CC(=O)N1 Amb27265734 [0,1,0,1,0,0|1,0,0]=3 11020 B9R1.183 CCCC(C)C1OC1C Amb24596468 [0,1,0,1,0,0|1,0,1]=4 11021 B9R1.2 C#CC1CCCC(=O)C1 Amb26842390 [0,1,0,1,0,0|1,0,1]=4 11022 B9R1.2 C=CC1CCCC(=O)C1 Amb28250679 [0,1,0,1,0,0|1,0,1]=4 11023 B9R1.2 C=CC1CCOC(=O)N1 Amb27257654 [0,1,0,1,0,0|1,0,1]=4 11024 B9R1.2 CC1C=C(C=O)CCC1 Amb4035517 [0,1,0,1,0,0|1,0,1]=4 11025 B9R1.2 CC1CC(CBr)CCO1 Amb28241202 [0,1,0,1,0,0|1,0,1]=4 11026 B9R1.2 CC1CC(CN)CCO1 Amb22059410 [0,1,0,1,0,0|1,0,1]=4 11027 B9R1.2 CC1CC(CN)CCO1 Amb33291314 [0,1,0,1,0,0|1,0,1]=4 11028 B9R1.2 CC1CC(CO)CCO1 Amb24679585 [0,1,0,1,0,0|1,0,1]=4 11029 B9R1.2 CC1CCCC(C=O)C1 Amb22059519 [0,1,0,1,0,0|1,0,1]=4 11030 B9R1.2 CC1CCCC(CO)C1 Amb20248640 [0,1,0,1,0,0|1,0,1]=4 11031 B9R1.2 CC1CCCC(NO)C1 Amb27436769 [0,1,0,1,0,0|1,0,1]=4 11032 B9R1.2 CC1CCCN(N=O)C1 Amb27266128 [0,1,0,1,0,0|2,0,0]=4 11033 B9R1.2 CC1CCC\C(=N/N)C1 Amb27208036 [0,1,0,1,0,0|2,0,0]=4 11034 B9R1.2 CC1CCC\C(=N/O)C1 Amb27752449 [0,1,0,1,0,0|1,0,0]=3 11035 B9R1.2 CC1CCNC(CO)=N1 Amb27246454 [0,1,0,1,0,0|2,0,0]=4 11036 B9R1.2 CC1CCNC(CO)C1 Amb24571948 [0,1,0,1,0,0|1,0,1]=4 11037 B9R1.2 CC1CCNC(CO)C1 Amb32668395 [0,1,0,1,0,0|1,0,1]=4 11038 B9R1.2 CC1CCOC(C=O)C1 Amb25032291 [0,1,0,1,0,0|0,0,1]=3 11039 B9R1.2 CCC1CC(=O)C=CN1 Amb28285113 [0,1,0,1,0,0|1,0,1]=4 11040 B9R1.2 CCC1CC(=O)C=CO1 Amb28076224 [0,1,0,1,0,0|1,0,1]=4 11041 B9R1.2 CCC1CC(=O)CCN1 Amb24589388 [0,1,0,1,0,0|1,0,0]=3 11042 B9R1.2 CCC1CC(=O)CCO1 Amb19373926 [0,1,0,1,0,0|1,0,0]=3 11043 B9R1.2 CCC1CC(=O)CCS1 Amb27838781 [0,1,0,1,0,0|1,0,0]=3 11044 B9R1.2 CCC1CC(O)CCO1 Amb24391236 [0,1,0,1,0,0|1,0,1]=4 11045 B9R1.2 CCC1CC=CC(=O)O1 Amb27480728 [0,1,0,1,0,0|2,0,0]=4 11046 B9R1.2 CCC1CCCC(=O)C1 Amb19335038 [0,1,0,1,0,0|1,0,0]=3 11047 B9R1.2 CCC1CCCC(=O)N1 Amb13883424 [0,1,0,1,0,0|2,0,0]=4 11048 B9R1.2 CCC1CCCC(=O)O1 Amb27242548 [0,1,0,1,0,0|2,0,0]=4 11049 B9R1.2 CCC1CCCC(O)C1 Amb17593352 [0,1,0,1,0,0|1,0,1]=4 11050 B9R1.2 CCC1CCN=C(N)C1 Amb25779626 [0,1,0,1,0,0|2,0,0]=4 11051 B9R1.2 CCC1CCNC(=O)C1 Amb25791122 [0,1,0,1,0,0|1,0,0]=3 11052 B9R1.2 CCC1CCNC(O)=N1 Amb24481964 [0,1,0,1,0,0|2,0,0]=4 11053 B9R1.2 CCC1CCOC(O)C1 Amb28049146 [0,1,0,1,0,0|0,0,2]=4 11054 B9R1.2 CCC1CNCC(=O)N1 Amb24427566 [0,1,0,1,0,0|2,0,0]=4 11055 B9R1.2 CCC1COCC(=O)N1 Amb10608051 [0,1,0,1,0,0|1,0,0]=3 11056 B9R1.2 CCC1CS(=O)CCN1 Amb27424706 [0,1,0,1,0,0|2,0,0]=4 11057 B9R1.2 CCN1CCCC(=O)C1 Amb23440927 [0,1,0,1,0,0|2,0,0]=4 11058 B9R1.2 CCN1CCCC(=O)C1 Amb9825829 [0,1,0,1,0,0|2,0,0]=4 11059 B9R1.2 CCN1CCNC(=O)C1 Amb19516973 [0,1,0,1,0,0|2,0,0]=4 11060 B9R1.2 CCN1CCNC(=O)C1 Amb21961561 [0,1,0,1,0,0|2,0,0]=4 11061 B9R1.2 CC[C@@H]1CC=CC(=O)C1 Amb27828949 [0,1,0,1,0,0|1,0,0]=3 11062 B9R1.2 CC[C@@H]1CCC[C@@H](O)C1 Amb28319548 [0,1,0,1,0,0|1,0,1]=4 11063 B9R1.2 CC[C@@H]1CCC[C@H](O)C1 Amb27491475 [0,1,0,1,0,0|1,0,1]=4 11064 B9R1.2 CC[C@@H]1COCC(=O)N1 Amb25146204 [0,1,0,1,0,0|1,0,0]=3 11065 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 Amb32434781 [0,1,0,1,0,0|1,0,1]=4 11066 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 Amb27460205 [0,1,0,1,0,0|1,0,1]=4 11067 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 Amb32434779 [0,1,0,1,0,0|1,0,1]=4 11068 B9R1.2 CC[C@H]1CC=CC(=O)C1 Amb28461147 [0,1,0,1,0,0|1,0,0]=3 11069 B9R1.2 CC[C@H]1CCCC(=O)N1 Amb28049339 [0,1,0,1,0,0|2,0,0]=4 11070 B9R1.2 CC[C@H]1CCC[C@H](O)C1 Amb28207111 [0,1,0,1,0,0|1,0,1]=4 11071 B9R1.2 CC[C@H]1C[C@H](O)CCS1 Amb27451909 [0,1,0,1,0,0|1,0,1]=4 11072 B9R1.2 CN1CCC=C(C=O)C1 Amb17593300 [0,1,0,1,0,0|2,0,0]=4 11073 B9R1.2 CN1CCC=C(CO)C1 Amb27263709 [0,1,0,1,0,0|2,0,0]=4 11074 B9R1.2 CN1CCN\C(=N/O)C1 Amb27655102 [0,1,0,1,0,0|2,0,0]=4 11075 B9R1.2 CN1CCOC(C=O)C1 Amb27593054 [0,1,0,1,0,0|1,0,1]=4 11076 B9R1.2 CNC1CCC=C(C)C1 Amb27752187 [0,1,0,1,0,0|2,0,0]=4 11077 B9R1.2 CNC1CCCC(O)C1 Amb18642723 [0,1,0,1,0,0|1,0,1]=4 11078 B9R1.2 CNC1CCC[C@@H](O)C1 Amb28051135 [0,1,0,1,0,0|1,0,1]=4 11079 B9R1.2 CNC1CCOC(C)C1 Amb26586090 [0,1,0,1,0,0|1,0,1]=4 11080 B9R1.2 CN[C@@H]1CCC[C@@H](O)C1 Amb27463767 [0,1,0,1,0,0|1,0,1]=4 11081 B9R1.2 CN[C@@H]1C[C@H](C)CCO1 Amb27964629 [0,1,0,1,0,0|1,0,1]=4 11082 B9R1.2 COC1=CCCN(C)C1 Amb13952605 [0,1,0,1,0,0|2,0,0]=4 11083 B9R1.2 COC1=NC(C)CCC1 Amb27492779 [0,1,0,1,0,0|2,0,0]=4 11084 B9R1.2 COC1=NCCC(C)C1 Amb27976368 [0,1,0,1,0,0|1,0,0]=3 11085 B9R1.2 COC1CC(=O)NCN1 Amb27424652 [0,1,0,1,0,0|2,0,0]=4 11086 B9R1.2 COC1CCCC(=O)C1 Amb20671002 [0,1,0,1,0,0|1,0,0]=3 11087 B9R1.2 COC1CCCC(=O)N1 Amb27594844 [0,1,0,1,0,0|2,0,0]=4 11088 B9R1.2 COC1CCCC(C)C1 Amb6608954 [0,1,0,1,0,0|1,0,1]=4 11089 B9R1.2 COC1CCCC(O)C1 Amb13951102 [0,1,0,1,0,0|1,0,1]=4 11090 B9R1.2 COC1COCC(=O)N1 Amb28043309 [0,1,0,1,0,0|2,0,0]=4 11091 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 Amb27843394 [0,1,0,1,0,0|1,0,1]=4 11092 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 Amb26575107 [0,1,0,1,0,0|1,0,1]=4 11093 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 Amb25271471 [0,1,0,1,0,0|1,0,1]=4 11094 B9R1.2 CO[C@H]1CCC[C@H](O)C1 Amb27969202 [0,1,0,1,0,0|1,0,1]=4 11095 B9R1.2 CSC1CCCC(=O)C1 Amb25328147 [0,1,0,1,0,0|1,0,0]=3 11096 B9R1.2 CSC1CCCC(O)C1 Amb28315413 [0,1,0,1,0,0|1,0,1]=4 11097 B9R1.2 C[C@@H]1CCO[C@@H](CO)C1 Amb28142359 [0,1,0,1,0,0|0,0,2]=4 11098 B9R1.2 C[C@@H]1C[C@@H](CO)CCO1 Amb33484246 [0,1,0,1,0,0|1,0,1]=4 11099 B9R1.2 C[C@@H]1C[C@H](C=O)OCO1 Amb28287271 [0,1,0,1,0,0|1,0,1]=4 11100 B9R1.2 C[C@H]1CCN[C@@H](CO)C1 Amb28429761 [0,1,0,1,0,0|1,0,1]=4 11101 B9R1.2 C[C@H]1CCN[C@@H](CO)C1 Amb32668515 [0,1,0,1,0,0|1,0,1]=4 11102 B9R1.2 C[C@H]1CCOC(C=O)C1 Amb26406399 [0,1,0,1,0,0|0,0,1]=3 11103 B9R1.2 C[C@H]1CCO[C@H](C=O)C1 Amb25914480 [0,1,0,1,0,0|0,0,1]=3 11104 B9R1.2 C\C=C1/CCOC(=O)N1 Amb27482030 [0,1,0,1,0,0|1,0,1]=4 11105 B9R1.2 N#CC1CCCC(=O)C1 Amb18642100 [0,1,0,1,0,0|1,0,1]=4 11106 B9R1.2 N#CC1CCNC(=O)C1 Amb26984825 [0,1,0,1,0,0|1,0,1]=4 11107 B9R1.2 N#C[C@H]1CCCC(=O)C1 Amb27838628 [0,1,0,1,0,0|1,0,1]=4 11108 B9R1.2 NCC1CCCC(=O)N1 Amb18832610 [0,1,0,1,0,0|2,0,0]=4 11109 B9R1.2 NCC1CCCC(=O)N1 Amb22754591 [0,1,0,1,0,0|2,0,0]=4 11110 B9R1.2 NCC1CCCC(=O)N1 Amb33313533 [0,1,0,1,0,0|2,0,0]=4 11111 B9R1.2 NCC1CCCC(O)C1 Amb9782617 [0,1,0,1,0,0|1,0,1]=4 11112 B9R1.2 NCC1CCNC(=O)C1 Amb18832611 [0,1,0,1,0,0|1,0,0]=3 11113 B9R1.2 NCC1CCNC(=O)C1 Amb22405878 [0,1,0,1,0,0|1,0,0]=3 11114 B9R1.2 NCC1CCNC(=O)C1 Amb35747931 [0,1,0,1,0,0|1,0,0]=3 11115 B9R1.2 NC[C@H]1CCCC(=O)N1 Amb32687113 [0,1,0,1,0,0|2,0,0]=4 11116 B9R1.2 NC[C@H]1CCCC(=O)N1 Amb32687289 [0,1,0,1,0,0|2,0,0]=4 11117 B9R1.2 O=C1CC(CBr)CCN1 Amb27980511 [0,1,0,1,0,0|1,0,0]=3 11118 B9R1.2 O=C1CC(CCl)CCO1 Amb27482669 [0,1,0,1,0,0|0,0,0]=2 11119 B9R1.2 O=C1CC(CO)CCN1 Amb21960758 [0,1,0,1,0,0|1,0,0]=3 11120 B9R1.2 O=C1CCCC(CBr)C1 Amb28396522 [0,1,0,1,0,0|1,0,0]=3 11121 B9R1.2 O=C1CCCC(CBr)O1 Amb28325542 [0,1,0,1,0,0|2,0,0]=4 11122 B9R1.2 O=C1CCCC(CCl)C1 Amb17593666 [0,1,0,1,0,0|1,0,0]=3 11123 B9R1.2 O=C1CCCC(CCl)N1 Amb19374373 [0,1,0,1,0,0|2,0,0]=4 11124 B9R1.2 O=C1CCCC(CI)N1 Amb28044882 [0,1,0,1,0,0|2,0,0]=4 11125 B9R1.2 O=C1CCCC(CO)C1 Amb16231079 [0,1,0,1,0,0|1,0,0]=3 11126 B9R1.2 O=C1CCCC(CO)N1 Amb13886257 [0,1,0,1,0,0|2,0,0]=4 11127 B9R1.2 O=C1CCCC(CO)O1 Amb27980552 [0,1,0,1,0,0|2,0,0]=4 11128 B9R1.2 O=C1CCC[C@@H](CO)C1 Amb26479307 [0,1,0,1,0,0|1,0,0]=3 11129 B9R1.2 O=C1CCC[C@H](CO)N1 Amb25187085 [0,1,0,1,0,0|2,0,0]=4 11130 B9R1.2 O=C1CNCC(CO)C1 Amb27621654 [0,1,0,1,0,0|2,0,0]=4 11131 B9R1.2 O=C1COCC(CO)N1 Amb22236095 [0,1,0,1,0,0|2,0,0]=4 11132 B9R1.2 O=C1C[C@H](CCl)CCO1 Amb27656328 [0,1,0,1,0,0|0,0,0]=2 11133 B9R1.2 O=S1OCCC(CCl)O1 Amb24340240 [0,1,0,1,0,0|2,0,0]=4 11134 B9R1.2 OC1CCCC(CBr)C1 Amb26885621 [0,1,0,1,0,0|1,0,1]=4 11135 B9R1.2 OC1CCCC(CCl)C1 Amb25342173 [0,1,0,1,0,0|1,0,1]=4 11136 B9R1.2 OC[C@@H]1CCC[C@@H](O)C1 Amb28076813 [0,1,0,1,0,0|1,0,1]=4 11137 B9R1.2 OC[C@@H]1CCC[C@H](O)C1 Amb28344623 [0,1,0,1,0,0|1,0,1]=4 11138 B9R1.2 OC[C@H]1CCC[C@@H](O)C1 Amb26435184 [0,1,0,1,0,0|1,0,1]=4 11139 B9R1.2 O\N=C1/CCCC(Cl)C1 Amb27245794 [0,1,0,1,0,0|2,0,0]=4 11140 B9R1.72 CCC(CC)CC1CO1 Amb26336471 [0,1,0,1,0,0|1,0,1]=4 11141 B9R1.72 CCC(CC1CO1)OC Amb33322986 [0,1,0,1,0,0|1,0,1]=4 11142 B9R1.124 CCC1(C#N)CC(=O)C1 Amb33204311 [0,1,0,1,0,0|1,0,1]=4 11143 B9R1.124 CCC1(CC)CC(O)C1 Amb27856200 [0,1,0,1,0,0|1,0,1]=4 11144 B9R1.124 CCC1(CN)CC(O)C1 Amb33226562 [0,1,0,1,0,0|1,0,1]=4 11145 B9R1.124 COC1(OC)CC(=O)C1 Amb25860636 [0,1,0,1,0,0|2,0,0]=4 11146 B9R1.124 NCC1(CO)CC(=O)C1 Amb26853697 [0,1,0,1,0,0|2,0,0]=4 11147 B9R1.124 NCC1(CO)CC(=O)C1 Amb33620317 [0,1,0,1,0,0|2,0,0]=4 11148 B9R1.124 O=C1CC(CF)(CF)C1 Amb26987203 [0,1,0,1,0,0|2,0,0]=4 11149 B9R1.124 O=C1CC(CO)(CO)C1 Amb26893355 [0,1,0,1,0,0|2,0,0]=4 11150 B9R1.128 C=C(C)CC1(CBr)CC1 Amb32688068 [0,1,0,1,0,0|2,0,0]=4 11151 B9R1.128 C=C(C)CC1(CCl)CC1 Amb32688066 [0,1,0,1,0,0|2,0,0]=4 11152 B9R1.128 C=C(C)CC1(CN)CC1 Amb26370658 [0,1,0,1,0,0|2,0,0]=4 11153 B9R1.128 C=C(C)CC1(CO)CC1 Amb33199188 [0,1,0,1,0,0|2,0,0]=4 11154 B9R1.128 C=C(C)CC1(NC)CC1 Amb33199211 [0,1,0,1,0,0|2,0,0]=4 11155 B9R1.128 C=C(Cl)CC1(CBr)CC1 Amb32688076 [0,1,0,1,0,0|2,0,0]=4 11156 B9R1.128 C=C(Cl)CC1(CCl)CC1 Amb32688073 [0,1,0,1,0,0|2,0,0]=4 11157 B9R1.128 CC(=O)CC1(C#N)CC1 Amb27423512 [0,1,0,1,0,0|1,0,1]=4 11158 B9R1.128 CC(=O)NC1(CN)CC1 Amb25140115 [0,1,0,1,0,0|2,0,0]=4 11159 B9R1.128 CC(=O)OC1(CO)CC1 Amb27812322 [0,1,0,1,0,0|2,0,0]=4 11160 B9R1.128 CCC1(CC(=O)O)CC1 Amb18832628 [0,1,0,1,0,0|0,0,0]=2 11161 B9R1.128 CCC1(CC(C)=O)CO1 Amb24378943 [0,1,0,1,0,0|1,0,0]=3 11162 B9R1.128 CCC1(NC(=O)Cl)CC1 Amb35633412 [0,1,0,1,0,0|2,0,0]=4 11163 B9R1.128 CCC1(NC(C)=O)CC1 Amb27213535 [0,1,0,1,0,0|2,0,0]=4 11164 B9R1.128 CNC1(CC(C)=O)CC1 Amb28288848 [0,1,0,1,0,0|1,0,0]=3 11165 B9R1.128 CNC1(CC(N)=O)CC1 Amb27186421 [0,1,0,1,0,0|1,0,0]=3 11166 B9R1.128 COC1(CC(=O)O)CC1 Amb27793698 [0,1,0,1,0,0|0,0,0]=2 11167 B9R1.128 CS(=O)CC1(CN)CC1 Amb35684655 [0,1,0,1,0,0|2,0,0]=4 11168 B9R1.128 N#CC1(CC(=O)O)CC1 Amb25963513 [0,1,0,1,0,0|0,0,1]=3 11169 B9R1.128 N=C(N)CC1(CN)CC1 Amb29851337 [0,1,0,1,0,0|2,0,0]=4 11170 B9R1.128 NC(=S)CC1(CO)CC1 Amb26074550 [0,1,0,1,0,0|1,1,0]=4 11171 B9R1.128 NCC1(CC(=O)O)CC1 Amb24178895 [0,1,0,1,0,0|0,0,0]=2 11172 B9R1.128 NCC1(CC(=O)O)CC1 Amb24556109 [0,1,0,1,0,0|0,0,0]=2 11173 B9R1.128 NCC1(CC(N)=O)CC1 Amb26442458 [0,1,0,1,0,0|1,0,0]=3 11174 B9R1.128 NCC1(CC(N)=O)CC1 Amb28775451 [0,1,0,1,0,0|1,0,0]=3 11175 B9R1.128 NCC1(CC(N)=S)CC1 Amb29851193 [0,1,0,1,0,0|1,1,0]=4 11176 B9R1.128 NCC1(NC(N)=O)CC1 Amb27763929 [0,1,0,1,0,0|2,0,0]=4 11177 B9R1.128 O=C(O)CC1(CCl)CC1 Amb28314025 [0,1,0,1,0,0|0,0,0]=2 11178 B9R1.128 O=C(O)CC1(CO)CC1 Amb13883569 [0,1,0,1,0,0|0,0,0]=2 11179 B9R1.128 O=C(O)CC1(CS)CC1 Amb8629575 [0,1,0,1,0,0|0,0,0]=2 11180 B9R1.184 CCC(CC)C1OC1Br Amb27477907 [0,1,0,1,0,0|1,0,1]=4 11181 B9R1.184 CCC(OC)C1OC1C Amb27408535 [0,1,0,1,0,0|1,0,1]=4 11182 B9R1.21 CCC1CCC(C=O)C1 Amb25312233 [0,1,0,1,0,0|1,0,1]=4 11183 B9R1.21 CCC1CCC(CO)C1 Amb26929311 [0,1,0,1,0,0|1,0,1]=4 11184 B9R1.21 CCC1CC\C(=N/N)C1 Amb28049533 [0,1,0,1,0,0|2,0,0]=4 11185 B9R1.21 CCC1CC\C(=N/O)C1 Amb27602116 [0,1,0,1,0,0|1,0,0]=3 11186 B9R1.21 CCC1CNC(CO)C1 Amb27876349 [0,1,0,1,0,0|1,0,1]=4 11187 B9R1.21 CCC1COC(CBr)C1 Amb32660773 [0,1,0,1,0,0|1,0,1]=4 11188 B9R1.21 CCC1COC(CI)C1 Amb32660826 [0,1,0,1,0,0|1,0,1]=4 11189 B9R1.21 CCC1COC(CN)C1 Amb32660887 [0,1,0,1,0,0|1,0,1]=4 11190 B9R1.21 CCC1COC(CO)C1 Amb28315434 [0,1,0,1,0,0|0,0,2]=4 11191 B9R1.21 CCC1C\C(=N\O)CO1 Amb30028904 [0,1,0,1,0,0|2,0,0]=4 11192 B9R1.21 CC[C@@H]1COC(CCl)=N1 Amb27401855 [0,1,0,1,0,0|2,0,0]=4 11193 B9R1.23 C=C1CC(CC)OC1=O Amb8389609 [0,1,0,1,0,0|2,0,0]=4 11194 B9R1.23 CC1CC(CO)CC1=O Amb27222031 [0,1,0,1,0,0|2,0,0]=4 11195 B9R1.23 CC1CC(CO)OC1C Amb27484655 [0,1,0,1,0,0|0,0,2]=4 11196 B9R1.23 CC1OC(C=O)OC1C Amb27591702 [0,1,0,1,0,0|1,0,1]=4 11197 B9R1.23 CCC1CC(=O)C(=O)O1 Amb27838789 [0,1,0,1,0,0|1,0,1]=4 11198 B9R1.23 CCC1CC(C)C(=O)N1 Amb20623299 [0,1,0,1,0,0|2,0,0]=4 11199 B9R1.23 CCC1CC(N)C(=O)O1 Amb27647519 [0,1,0,1,0,0|2,0,0]=4 11200 B9R1.23 CCC1CC(O)C(=O)O1 Amb28049114 [0,1,0,1,0,0|1,0,0]=3 11201 B9R1.23 CCN1CC(=O)C(C)C1 Amb20667767 [0,1,0,1,0,0|2,0,0]=4 11202 B9R1.23 CCN1CC(=O)N(C)C1 Amb27447020 [0,1,0,1,0,0|2,0,0]=4 11203 B9R1.23 CC[C@@H]1C[C@@H](O)C(=O)O1 Amb27472678 [0,1,0,1,0,0|1,0,0]=3 11204 B9R1.23 CC[C@@H]1C[C@H](O)C(=O)O1 Amb27184446 [0,1,0,1,0,0|1,0,0]=3 11205 B9R1.23 CC[C@H]1C[C@@H](O)C(=O)O1 Amb27428268 [0,1,0,1,0,0|1,0,0]=3 11206 B9R1.23 CN1CC(CBr)CC1=O Amb27838585 [0,1,0,1,0,0|2,0,0]=4 11207 B9R1.23 CN1CC(CCl)CC1=O Amb35781907 [0,1,0,1,0,0|2,0,0]=4 11208 B9R1.23 CN1CC(CN)CC1=O Amb22587624 [0,1,0,1,0,0|2,0,0]=4 11209 B9R1.23 CN1CC(CN)CC1=O Amb28991376 [0,1,0,1,0,0|2,0,0]=4 11210 B9R1.23 CN1CC(CN)CC1=O Amb33542734 [0,1,0,1,0,0|2,0,0]=4 11211 B9R1.23 CN1CC(CO)CC1=O Amb10607401 [0,1,0,1,0,0|2,0,0]=4 11212 B9R1.23 CNC1CC(=O)N(C)C1 Amb25142512 [0,1,0,1,0,0|2,0,0]=4 11213 B9R1.23 COC1CC(=O)C(=O)C1 Amb9782775 [0,1,0,1,0,0|1,0,1]=4 11214 B9R1.23 O=C1OC(CBr)CC1O Amb27760415 [0,1,0,1,0,0|2,0,0]=4 11215 B9R1.23 O=C1OC(CCl)CC1O Amb27841626 [0,1,0,1,0,0|2,0,0]=4 11216 B9R1.23 O=C1O[C@@H](CO)C[C@@H]1O Amb27783829 [0,1,0,1,0,0|2,0,0]=4 11217 B9R1.79 C#CC(=O)CC1CNC1 Amb25807932 [0,1,0,1,0,0|2,0,0]=4 11218 B9R1.79 C#CC(O)CC1CCC1 Amb28424402 [0,1,0,1,0,0|1,0,1]=4 11219 B9R1.79 C=CC(=O)CC1CNC1 Amb25774002 [0,1,0,1,0,0|2,0,0]=4 11220 B9R1.79 CC(C=O)CC1CCC1 Amb27600503 [0,1,0,1,0,0|1,0,1]=4 11221 B9R1.79 CC(CO)CC1CCC1 Amb24402725 [0,1,0,1,0,0|1,0,1]=4 11222 B9R1.79 CCC(=O)CC1CCC1 Amb28145122 [0,1,0,1,0,0|1,0,0]=3 11223 B9R1.79 CCC(=O)CC1CNC1 Amb25060246 [0,1,0,1,0,0|2,0,0]=4 11224 B9R1.79 CNC(=O)CC1COC1 Amb28064140 [0,1,0,1,0,0|2,0,0]=4 11225 B9R1.79 CNC(=O)NC1CCC1 Amb25830627 [0,1,0,1,0,0|2,0,0]=4 11226 B9R1.79 COC(=O)C=C1CCC1 Amb22232619 [0,1,0,1,0,0|0,0,2]=4 11227 B9R1.79 COC(=O)CC1CCC1 Amb2697273 [0,1,0,1,0,0|0,0,0]=2 11228 B9R1.79 COC(=O)CC1CCN1 Amb27608136 [0,1,0,1,0,0|1,0,0]=3 11229 B9R1.79 COC(=O)CC1CNC1 Amb21960730 [0,1,0,1,0,0|1,0,0]=3 11230 B9R1.79 COC(=O)CC1CNC1 Amb21962978 [0,1,0,1,0,0|1,0,0]=3 11231 B9R1.79 COC(=O)CC1CNC1 Amb22057369 [0,1,0,1,0,0|1,0,0]=3 11232 B9R1.79 COC(=O)CC1COC1 Amb21960725 [0,1,0,1,0,0|1,0,0]=3 11233 B9R1.79 COC(=O)CN1CCC1 Amb24481984 [0,1,0,1,0,0|1,0,0]=3 11234 B9R1.79 COC(=O)C[C@H]1CCN1 Amb27811905 [0,1,0,1,0,0|1,0,0]=3 11235 B9R1.79 COC(=O)NC1CNC1 Amb26512094 [0,1,0,1,0,0|2,0,0]=4 11236 B9R1.79 COC(=O)NC1CNC1 Amb33038276 [0,1,0,1,0,0|2,0,0]=4 11237 B9R1.79 COC(=O)NC1COC1 Amb27982552 [0,1,0,1,0,0|2,0,0]=4 11238 B9R1.79 COC(=S)SC1CCC1 Amb27837693 [0,1,0,1,0,0|1,1,0]=4 11239 B9R1.79 CON(C)CC1CCC1 Amb27837669 [0,1,0,1,0,0|2,0,0]=4 11240 B9R1.79 C[C@@H](CO)CC1CCC1 Amb33743097 [0,1,0,1,0,0|1,0,1]=4 11241 B9R1.79 C[C@H](CO)CC1CCC1 Amb33738446 [0,1,0,1,0,0|1,0,1]=4 11242 B9R1.79 C\C(=C/C1CCC1)CO Amb27838424 [0,1,0,1,0,0|1,0,1]=4 11243 B9R1.79 C\C(C=O)=C/C1CCC1 Amb27589239 [0,1,0,1,0,0|1,0,1]=4 11244 B9R1.79 C\C(CC1CCC1)=N/O Amb27845830 [0,1,0,1,0,0|1,0,0]=3 11245 B9R1.79 NC(CO)CC1CCC1 Amb32660961 [0,1,0,1,0,0|1,0,1]=4 11246 B9R1.79 NC(CO)CC1CCC1 Amb33548648 [0,1,0,1,0,0|1,0,1]=4 11247 B9R1.79 NCC(=O)CC1CCC1 Amb24680522 [0,1,0,1,0,0|1,0,0]=3 11248 B9R1.79 NCC(=O)NC1CCC1 Amb18961312 [0,1,0,1,0,0|2,0,0]=4 11249 B9R1.79 NCC(=O)NC1CCC1 Amb33465458 [0,1,0,1,0,0|2,0,0]=4 11250 B9R1.79 NCC(=O)OC1CCC1 Amb18295938 [0,1,0,1,0,0|2,0,0]=4 11251 B9R1.79 NCC(O)CC1CCC1 Amb33195517 [0,1,0,1,0,0|1,0,1]=4 11252 B9R1.79 NNC(=O)CC1CNC1 Amb28119058 [0,1,0,1,0,0|2,0,0]=4 11253 B9R1.79 NNC(=O)CC1COC1 Amb27667145 [0,1,0,1,0,0|2,0,0]=4 11254 B9R1.79 NNC(=O)OC1CCC1 Amb35699045 [0,1,0,1,0,0|2,0,0]=4 11255 B9R1.79 N[C@@H](CO)CC1CCC1 Amb28199933 [0,1,0,1,0,0|1,0,1]=4 11256 B9R1.79 N[C@H](CO)CC1CCC1 Amb26547301 [0,1,0,1,0,0|1,0,1]=4 11257 B9R1.79 N\C(=N/O)NC1CCC1 Amb27750062 [0,1,0,1,0,0|2,0,0]=4 11258 B9R1.79 N\C(CC1CCC1)=N/O Amb24479922 [0,1,0,1,0,0|1,0,0]=3 11259 B9R1.79 N\C(CN1CCC1)=N/O Amb27153876 [0,1,0,1,0,0|2,0,0]=4 11260 B9R1.79 O=C(CBr)CC1CCC1 Amb24392754 [0,1,0,1,0,0|1,0,0]=3 11261 B9R1.79 O=C(CBr)OC1CCC1 Amb28146076 [0,1,0,1,0,0|2,0,0]=4 11262 B9R1.79 O=C(CN1CCC1)NO Amb28189204 [0,1,0,1,0,0|1,0,0]=3 11263 B9R1.79 O=C(CO)OC1CCC1 Amb25802506 [0,1,0,1,0,0|1,0,0]=3 11264 B9R1.79 O=C(CS)OC1CCC1 Amb28381311 [0,1,0,1,0,0|1,1,0]=4 11265 B9R1.88 C#CC(=O)C1CC1CN Amb33132448 [0,1,0,1,0,0|2,0,0]=4 11266 B9R1.88 C#CC(=O)C1CC1OC Amb35717361 [0,1,0,1,0,0|2,0,0]=4 11267 B9R1.88 C#CC(=O)[C@@H]1C[C@@H]1CN Amb33132470 [0,1,0,1,0,0|2,0,0]=4 11268 B9R1.88 C#CC(=O)[C@@H]1C[C@H]1CC Amb27860527 [0,1,0,1,0,0|1,0,0]=3 11269 B9R1.88 C#CC(O)C1CC1CC Amb27629538 [0,1,0,1,0,0|1,0,1]=4 11270 B9R1.88 C#CC(O)[C@@H]1C[C@H]1CC Amb27197403 [0,1,0,1,0,0|1,0,1]=4 11271 B9R1.88 C#CC1CC1C(=O)OC Amb27613668 [0,1,0,1,0,0|0,0,2]=4 11272 B9R1.88 C#C[C@@H]1C[C@H]1C(=O)OC Amb26547720 [0,1,0,1,0,0|0,0,2]=4 11273 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC Amb25861951 [0,1,0,1,0,0|0,0,2]=4 11274 B9R1.88 C=CC(=O)C1CC1CN Amb33132449 [0,1,0,1,0,0|2,0,0]=4 11275 B9R1.88 C=CC(=O)C1CC1OC Amb35717362 [0,1,0,1,0,0|2,0,0]=4 11276 B9R1.88 C=CC(=O)[C@@H]1C[C@@H]1CN Amb33132471 [0,1,0,1,0,0|2,0,0]=4 11277 B9R1.88 C=C[C@@H]1C[C@H]1C(=O)OC Amb28435247 [0,1,0,1,0,0|0,0,2]=4 11278 B9R1.88 CCC(=O)C1CC1CN Amb33132450 [0,1,0,1,0,0|2,0,0]=4 11279 B9R1.88 CCC(=O)[C@@H]1C[C@@H]1CN Amb33132472 [0,1,0,1,0,0|2,0,0]=4 11280 B9R1.88 CCC(=O)[C@@H]1C[C@H]1CC Amb27261616 [0,1,0,1,0,0|1,0,0]=3 11281 B9R1.88 CCC(C)C1CC1C=O Amb32669250 [0,1,0,1,0,0|1,0,1]=4 11282 B9R1.88 CCC(C)C1CC1CO Amb27838522 [0,1,0,1,0,0|1,0,1]=4 11283 B9R1.88 CCC1=NC1C(=O)OC Amb33803384 [0,1,0,1,0,0|1,0,1]=4 11284 B9R1.88 CCC1CC1C(=O)CBr Amb27250951 [0,1,0,1,0,0|1,0,0]=3 11285 B9R1.88 CCC1CC1C(=O)NO Amb28320567 [0,1,0,1,0,0|0,0,0]=2 11286 B9R1.88 CCC1CC1\C(N)=N\O Amb27205098 [0,1,0,1,0,0|1,0,0]=3 11287 B9R1.88 CC[C@@H]1C[C@H]1C(=O)OC Amb27228248 [0,1,0,1,0,0|0,0,0]=2 11288 B9R1.88 CNC(=O)C1CC1OC Amb29849691 [0,1,0,1,0,0|2,0,0]=4 11289 B9R1.88 COC(=O)C1CC1C#N Amb27262472 [0,1,0,1,0,0|1,0,1]=4 11290 B9R1.88 COC(=O)C1CC1C=O Amb24480363 [0,1,0,1,0,0|1,0,1]=4 11291 B9R1.88 COC(=O)C1CC1CN Amb22011650 [0,1,0,1,0,0|1,0,0]=3 11292 B9R1.88 COC(=O)C1CC1CN Amb22546318 [0,1,0,1,0,0|1,0,0]=3 11293 B9R1.88 COC(=O)C1CC1CO Amb25185377 [0,1,0,1,0,0|1,0,0]=3 11294 B9R1.88 COC(=O)C1CC1OC Amb35717357 [0,1,0,1,0,0|1,0,0]=3 11295 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CBr Amb27489818 [0,1,0,1,0,0|1,0,0]=3 11296 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN Amb22900923 [0,1,0,1,0,0|1,0,0]=3 11297 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN Amb28468178 [0,1,0,1,0,0|1,0,0]=3 11298 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CO Amb24575289 [0,1,0,1,0,0|1,0,0]=3 11299 B9R1.88 COC(=O)[C@@H]1C[C@H]1C=O Amb27489067 [0,1,0,1,0,0|1,0,1]=4 11300 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr Amb35789287 [0,1,0,1,0,0|1,0,0]=3 11301 B9R1.88 COC(=O)[C@@H]1C[C@H]1CN Amb24517267 [0,1,0,1,0,0|1,0,0]=3 11302 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO Amb26035468 [0,1,0,1,0,0|1,0,0]=3 11303 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Amb27451981 [0,1,0,1,0,0|1,0,0]=3 11304 B9R1.88 COC(=O)[C@H]1C[C@H]1C#N Amb28287469 [0,1,0,1,0,0|1,0,1]=4 11305 B9R1.88 COC(=O)[C@H]1C[C@H]1C=O Amb27265977 [0,1,0,1,0,0|1,0,1]=4 11306 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO Amb8628624 [0,1,0,1,0,0|2,0,0]=4 11307 B9R1.88 COC1CC1C(=O)CBr Amb35717552 [0,1,0,1,0,0|2,0,0]=4 11308 B9R1.88 COC1CC1C(=O)CCl Amb35717551 [0,1,0,1,0,0|2,0,0]=4 11309 B9R1.88 COC1CC1C(=O)CN Amb29857500 [0,1,0,1,0,0|2,0,0]=4 11310 B9R1.88 COC1CC1C(=O)NN Amb35732137 [0,1,0,1,0,0|2,0,0]=4 11311 B9R1.88 COC1CC1C(=O)NO Amb35725289 [0,1,0,1,0,0|1,0,0]=3 11312 B9R1.88 NNC(=O)[C@@H]1C[C@@H]1CO Amb27207426 [0,1,0,1,0,0|2,0,0]=4 11313 B9R1.113 C#CC(=O)CC1(C)CC1 Amb27969643 [0,1,0,1,0,0|1,0,0]=3 11314 B9R1.113 C#CC(=O)CC1(N)CC1 Amb26629765 [0,1,0,1,0,0|2,0,0]=4 11315 B9R1.113 C#CC(O)CC1(C)CC1 Amb27880066 [0,1,0,1,0,0|1,0,1]=4 11316 B9R1.113 C=CC(=O)CC1(C)CC1 Amb27780298 [0,1,0,1,0,0|1,0,0]=3 11317 B9R1.113 C=CC(=O)CC1(N)CC1 Amb25960523 [0,1,0,1,0,0|2,0,0]=4 11318 B9R1.113 C=CC(=O)NC1(C)CC1 Amb28137685 [0,1,0,1,0,0|2,0,0]=4 11319 B9R1.113 CC(CO)CC1(C)CC1 Amb33745856 [0,1,0,1,0,0|1,0,1]=4 11320 B9R1.113 CC1(CC(=O)CCl)CC1 Amb27222931 [0,1,0,1,0,0|1,0,0]=3 11321 B9R1.113 CC1(CC(=O)CN)CC1 Amb27960014 [0,1,0,1,0,0|1,0,0]=3 11322 B9R1.113 CC1(CC(N)CO)CC1 Amb24120611 [0,1,0,1,0,0|1,0,1]=4 11323 B9R1.113 CC1(CC(O)CN)CC1 Amb33312608 [0,1,0,1,0,0|1,0,1]=4 11324 B9R1.113 CC1(C\C(N)=N\N)CC1 Amb27960149 [0,1,0,1,0,0|2,0,0]=4 11325 B9R1.113 CC1(NC(=O)CN)CC1 Amb27983856 [0,1,0,1,0,0|2,0,0]=4 11326 B9R1.113 CC1(NC(=O)CS)CC1 Amb28434479 [0,1,0,1,0,0|1,1,0]=4 11327 B9R1.113 CC1(N\C(N)=N\O)CC1 Amb28195004 [0,1,0,1,0,0|2,0,0]=4 11328 B9R1.113 CCC(=O)CC1(C)CC1 Amb27854853 [0,1,0,1,0,0|1,0,0]=3 11329 B9R1.113 CCC(=O)CC1(N)CC1 Amb24618272 [0,1,0,1,0,0|2,0,0]=4 11330 B9R1.113 CCC(C)CC1(O)CC1 Amb27766585 [0,1,0,1,0,0|1,0,1]=4 11331 B9R1.113 CN(C=O)CC1(C)CC1 Amb29863329 [0,1,0,1,0,0|2,0,0]=4 11332 B9R1.113 CNC(=O)NC1(C)CC1 Amb27601174 [0,1,0,1,0,0|2,0,0]=4 11333 B9R1.113 COC(=O)CC1(C)CC1 Amb27768843 [0,1,0,1,0,0|0,0,0]=2 11334 B9R1.113 COC(=O)CC1(N)CC1 Amb21962518 [0,1,0,1,0,0|1,0,0]=3 11335 B9R1.113 COC(=O)CC1(N)CC1 Amb22001404 [0,1,0,1,0,0|1,0,0]=3 11336 B9R1.113 COC(=O)NC1(C)CC1 Amb27951516 [0,1,0,1,0,0|1,0,0]=3 11337 B9R1.113 C[C@@H](CO)CC1(C)CC1 Amb33736428 [0,1,0,1,0,0|1,0,1]=4 11338 B9R1.113 C[C@H](CO)CC1(C)CC1 Amb33738435 [0,1,0,1,0,0|1,0,1]=4 11339 B9R1.113 NC1(CC(=O)NO)CC1 Amb27216944 [0,1,0,1,0,0|1,0,0]=3 11340 B9R1.187 C=C1C(C)C1C(=O)OC Amb28201459 [0,1,0,1,0,0|0,0,2]=4 11341 B9R1.187 C=C1[C@H](C)[C@H]1C(=O)OC Amb27862951 [0,1,0,1,0,0|0,0,2]=4 11342 B9R1.207 CCC1(C)CN(C=O)C1 Amb27232057 [0,1,0,1,0,0|2,0,0]=4 11343 B9R1.207 CCC1CC(N)(CO)C1 Amb27849024 [0,1,0,1,0,0|1,0,1]=4 11344 B9R1.36 CC1CC(C)(O)CC1C Amb24477851 [0,1,0,1,0,0|1,0,1]=4 11345 B9R1.36 CC1CS(=O)(=O)CC1Cl Amb27477904 [0,1,0,1,0,0|1,0,1]=4 11346 B9R1.36 CC1CS(=O)(=O)CC1N Amb24340271 [0,1,0,1,0,0|1,0,1]=4 11347 B9R1.36 CC1CS(=O)(=O)CC1O Amb2233406 [0,1,0,1,0,0|1,0,1]=4 11348 B9R1.36 CC1CS(=O)(=O)CC1[NH3+] Amb4153217 [0,1,0,1,0,0|1,0,1]=4 11349 B9R1.36 CC1OP(=O)(Cl)OC1C Amb26885575 [0,1,0,1,0,0|2,0,0]=4 11350 B9R1.36 CC1OS(=O)(=O)OC1C Amb27956510 [0,1,0,1,0,0|2,0,0]=4 11351 B9R1.36 C[C@@H]1CS(=O)(=O)C[C@@H]1N Amb25124954 [0,1,0,1,0,0|1,0,1]=4 11352 B9R1.36 C[C@@H]1CS(=O)(=O)C[C@@H]1N Amb32653275 [0,1,0,1,0,0|1,0,1]=4 11353 B9R1.36 C[C@@H]1CS(=O)(=O)C[C@H]1N Amb24587782 [0,1,0,1,0,0|1,0,1]=4 11354 B9R1.36 C[C@@H]1CS(=O)(=O)C[C@H]1N Amb28735706 [0,1,0,1,0,0|1,0,1]=4 11355 B9R1.36 C[C@H]1CS(=O)(=O)C[C@@H]1N Amb34916430 [0,1,0,1,0,0|1,0,1]=4 11356 B9R1.36 C[C@H]1CS(=O)(=O)C[C@H]1N Amb25222669 [0,1,0,1,0,0|1,0,1]=4 11357 B9R1.36 C[C@H]1CS(=O)(=O)C[C@H]1N Amb34163853 [0,1,0,1,0,0|1,0,1]=4 11358 B9R1.36 C[C@H]1OP(=O)(Cl)O[C@@H]1C Amb22350643 [0,1,0,1,0,0|2,0,0]=4 11359 B9R1.112 CC(O)C(C)CC1CO1 Amb32944599 [0,1,0,1,0,0|1,0,1]=4 11360 B9R1.139 CC(=O)C1C(Br)C1(C)C Amb27193217 [0,1,0,1,0,0|2,0,0]=4 11361 B9R1.139 CC(=O)C1C(Cl)C1(C)C Amb25685934 [0,1,0,1,0,0|2,0,0]=4 11362 B9R1.139 CC(=O)[C@@H]1[C@@H](Br)C1(C)C Amb28244808 [0,1,0,1,0,0|2,0,0]=4 11363 B9R1.139 CC(=O)[C@@H]1[C@@H](C)C1(Cl)Cl Amb27626855 [0,1,0,1,0,0|2,0,0]=4 11364 B9R1.139 CC(O)[C@@H]1[C@H](C)C1(C)C Amb27423117 [0,1,0,1,0,0|1,0,1]=4 11365 B9R1.139 CC1(C)C(Br)C1C(=O)O Amb28078793 [0,1,0,1,0,0|1,0,0]=3 11366 B9R1.139 CC1(C)C(C(=O)O)[C@H]1Cl Amb28043135 [0,1,0,1,0,0|1,0,0]=3 11367 B9R1.139 CC1(C)C(Cl)C1C(=O)Cl Amb27858247 [0,1,0,1,0,0|2,0,0]=4 11368 B9R1.139 CC1(C)C(O)C1C(=O)O Amb27642274 [0,1,0,1,0,0|1,0,0]=3 11369 B9R1.139 CC1C(C(=O)Cl)C1(C)C Amb25088892 [0,1,0,1,0,0|1,0,0]=3 11370 B9R1.139 CC1C(C(=O)O)C1(F)F Amb19515667 [0,1,0,1,0,0|1,0,0]=3 11371 B9R1.139 CC1C(C(N)=O)C1(F)F Amb26388820 [0,1,0,1,0,0|2,0,0]=4 11372 B9R1.139 C[C@@H]1[C@@H](C(=O)O)C1(C)C Amb27247272 [0,1,0,1,0,0|0,0,0]=2 11373 B9R1.139 C[C@@H]1[C@@H](C(=O)O)C1(F)F Amb33457734 [0,1,0,1,0,0|1,0,0]=3 11374 B9R1.139 C[C@@H]1[C@H](C(=O)Cl)C1(C)C Amb27767899 [0,1,0,1,0,0|1,0,0]=3 11375 B9R1.139 C[C@H]1[C@@H](C(=O)Cl)C1(C)C Amb26926523 [0,1,0,1,0,0|1,0,0]=3 11376 B9R1.139 C[C@H]1[C@@H](C(=O)O)C1(C)C Amb28429827 [0,1,0,1,0,0|0,0,0]=2 11377 B9R1.139 C[C@H]1[C@@H]([C@@H](C)O)C1(C)C Amb28345302 [0,1,0,1,0,0|1,0,1]=4 11378 B9R1.152 C=C(C)C1(C)CC(=O)N1 Amb25791049 [0,1,0,1,0,0|1,0,1]=4 11379 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [0,1,0,1,0,0|0,0,1]=3 11380 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [0,1,0,1,0,0|0,0,1]=3 11381 B9R1.161 C=C(C)[C@H]1C[C@H]1C(C)=O Amb28054459 [0,1,0,1,0,0|1,0,1]=4 11382 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [0,1,0,1,0,0|1,0,1]=4 11383 B9R1.161 CC(=O)C1CC1C(C)C Amb28049066 [0,1,0,1,0,0|1,0,0]=3 11384 B9R1.161 CC(=O)C1OC1C(C)C Amb27212949 [0,1,0,1,0,0|2,0,0]=4 11385 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [0,1,0,1,0,0|1,0,1]=4 11386 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [0,1,0,1,0,0|1,0,1]=4 11387 B9R1.161 CC(C)C1CC1C(=O)O Amb18285139 [0,1,0,1,0,0|0,0,0]=2 11388 B9R1.161 CC(C)C1CC1C(C)O Amb28190309 [0,1,0,1,0,0|1,0,1]=4 11389 B9R1.161 CC(C)C1CC1C(N)=O Amb27815060 [0,1,0,1,0,0|1,0,0]=3 11390 B9R1.161 CC(C)[C@@H]1C[C@H]1C(=O)O Amb33360310 [0,1,0,1,0,0|0,0,0]=2 11391 B9R1.161 CC(C)[C@@H]1C[C@H]1[C@@H](C)O Amb27852782 [0,1,0,1,0,0|1,0,1]=4 11392 B9R1.161 CC(C)[C@@H]1C[C@H]1[C@H](C)O Amb27853890 [0,1,0,1,0,0|1,0,1]=4 11393 B9R1.161 CC(C)[C@@H]1O[C@H]1C(=O)O Amb28252782 [0,1,0,1,0,0|1,0,0]=3 11394 B9R1.161 CC(N)C1CC1C(=O)O Amb27441985 [0,1,0,1,0,0|0,0,0]=2 11395 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [0,1,0,1,0,0|0,0,0]=2 11396 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [0,1,0,1,0,0|0,0,0]=2 11397 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [0,1,0,1,0,0|0,0,0]=2 11398 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,1,0,1,0,0|1,0,1]=4 11399 B9R1.161 NC(=O)C1CC1C(F)F Amb27236256 [0,1,0,1,0,0|2,0,0]=4 11400 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [0,1,0,1,0,0|1,0,1]=4 11401 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [0,1,0,1,0,0|1,0,1]=4 11402 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [0,1,0,1,0,0|1,0,1]=4 11403 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [0,1,0,1,0,0|2,0,0]=4 11404 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [0,1,0,1,0,0|1,0,1]=4 11405 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [0,1,0,1,0,0|1,0,1]=4 11406 B9R1.161 O=C(O)C1CC1C(F)F Amb25338314 [0,1,0,1,0,0|1,0,0]=3 11407 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [0,1,0,1,0,0|2,0,0]=4 11408 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F Amb26459940 [0,1,0,1,0,0|1,0,0]=3 11409 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [0,1,0,1,0,0|1,0,1]=4 11410 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F Amb24654017 [0,1,0,1,0,0|1,0,0]=3 11411 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [0,1,0,1,0,0|2,0,0]=4 11412 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [0,1,0,1,0,0|1,0,1]=4 11413 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [0,1,0,1,0,0|2,0,0]=4 11414 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [0,1,0,1,0,0|1,0,1]=4 11415 B9R1.164 CC(C)C1CC(C)(O)C1 Amb27240675 [0,1,0,1,0,0|1,0,1]=4 11416 B9R1.164 CC(N)C1CS(=O)(=O)C1 Amb25196074 [0,1,0,1,0,0|1,0,1]=4 11417 B9R1.164 CC(N)C1CS(=O)(=O)C1 Amb33249806 [0,1,0,1,0,0|1,0,1]=4 11418 B9R1.164 CC(S)C1CS(=O)(=O)C1 Amb32788868 [0,1,0,1,0,0|1,0,1]=4 11419 B9R1.170 CC(=O)CC1CC1(C)O Amb28461242 [0,1,0,1,0,0|1,0,0]=3 11420 B9R1.170 CC(=O)CC1CC1(F)F Amb25370357 [0,1,0,1,0,0|2,0,0]=4 11421 B9R1.170 CC1(C)CC1CC(=O)O Amb25145962 [0,1,0,1,0,0|0,0,0]=2 11422 B9R1.170 CC1(C)CC1NC(=O)Cl Amb35625820 [0,1,0,1,0,0|2,0,0]=4 11423 B9R1.170 CC1(C)C\C1=C/C(=O)O Amb25056977 [0,1,0,1,0,0|0,0,2]=4 11424 B9R1.170 C[C@H](O)C[C@@H]1C[C@]1(C)O Amb27422515 [0,1,0,1,0,0|1,0,1]=4 11425 B9R1.170 C[C@H](O)C[C@H]1C[C@@]1(C)O Amb27260265 [0,1,0,1,0,0|1,0,1]=4 11426 B9R1.170 NC(=O)CC1CC1(Cl)Cl Amb27809283 [0,1,0,1,0,0|2,0,0]=4 11427 B9R1.170 O=C(O)CC1CC1(Cl)Cl Amb28458433 [0,1,0,1,0,0|1,0,0]=3 11428 B9R1.170 O=C(O)CC1CC1(F)F Amb22411507 [0,1,0,1,0,0|1,0,0]=3 11429 B9R1.170 O=C([O-])CC1CC1(F)F Amb30585198 [0,1,0,1,0,0|1,0,1]=4 11430 B9R1.47 CC1CC1CC(C)(C)O Amb33144864 [0,1,0,1,0,0|1,0,1]=4 11431 B9R1.47 CC1CC1CS(=O)(=O)Cl Amb25709771 [0,1,0,1,0,0|1,0,1]=4 11432 B9R1.47 CC1CC1CS(=O)(=O)F Amb33352217 [0,1,0,1,0,0|1,0,1]=4 11433 B9R1.47 CC1CC1CS(N)(=O)=O Amb25342147 [0,1,0,1,0,0|1,0,1]=4 11434 B9R1.47 NC1CC1CS(=O)(=O)O Amb28204099 [0,1,0,1,0,0|2,0,0]=4 11435 B9R1.68 CC1CCC1S(=O)(=O)Cl Amb24532584 [0,1,0,1,0,0|1,0,1]=4 11436 B9R1.68 CC1CCC1S(=O)(=O)F Amb33352371 [0,1,0,1,0,0|1,0,1]=4 11437 B9R1.68 CC1CCC1S(N)(=O)=O Amb25833817 [0,1,0,1,0,0|1,0,1]=4 11438 B9R1.87 CCC1CC1S(=O)(=O)Cl Amb24116962 [0,1,0,1,0,0|1,0,1]=4 11439 B9R1.114 CC(C)(O)CC1CCC1 Amb27146277 [0,1,0,1,0,0|1,0,1]=4 11440 B9R1.114 NS(=O)(=O)CC1CCC1 Amb22059636 [0,1,0,1,0,0|1,0,1]=4 11441 B9R1.114 O=S(=O)(Br)CC1CCC1 Amb27426375 [0,1,0,1,0,0|1,0,1]=4 11442 B9R1.114 O=S(=O)(Cl)CC1CCC1 Amb22001639 [0,1,0,1,0,0|1,0,1]=4 11443 B9R1.114 O=S(=O)(F)CC1CCC1 Amb32717426 [0,1,0,1,0,0|1,0,1]=4 11444 B9R1.114 O=S(=O)([O-])CC1CCC1 Amb27236103 [0,1,0,1,0,0|1,0,1]=4 11445 B9R1.145 CC(C)(O)CC1(C)CC1 Amb33225683 [0,1,0,1,0,0|1,0,1]=4 11446 B9R1.145 CC1(CS(=O)(=O)Cl)CC1 Amb27953113 [0,1,0,1,0,0|1,0,1]=4 11447 B9R1.145 CC1(CS(=O)(=O)F)CC1 Amb32718223 [0,1,0,1,0,0|1,0,1]=4 11448 B9R1.145 CC1(CS(N)(=O)=O)CC1 Amb26321298 [0,1,0,1,0,0|1,0,1]=4 11449 B9R1.64 CCC(C)(C)CC1CO1 Amb32953961 [0,1,0,1,0,0|1,0,1]=4 11450 B9R1.146 CC1(N)CCS(=O)(=O)C1 Amb17913039 [0,1,0,1,0,0|1,0,1]=4 11451 B9R1.146 CC1(N)CCS(=O)(=O)C1 Amb5716904 [0,1,0,1,0,0|1,0,1]=4 11452 B9R1.146 CC1(O)CCS(=O)(=O)C1 Amb27465349 [0,1,0,1,0,0|1,0,1]=4 11453 B9R1.146 CC1([NH3+])CCS(=O)(=O)C1 Amb5716910 [0,1,0,1,0,0|1,0,1]=4 11454 B9R1.146 C[C@]1(N)CCS(=O)(=O)C1 Amb30594259 [0,1,0,1,0,0|1,0,1]=4 11455 B9R1.156 CC(C)(CO)C1OC1=O Amb17942848 [0,1,0,1,0,0|1,0,0]=3 11456 B9R1.156 CC(C)(CO)[C@@H]1OC1=O Amb10603242 [0,1,0,1,0,0|1,0,0]=3 11457 B9R1.166 CC(=O)C1OCC1(C)C Amb27226252 [0,1,0,1,0,0|2,0,0]=4 11458 B9R1.166 CC(=O)[C@H]1CC[C@@]1(C)F Amb27788386 [0,1,0,1,0,0|1,0,0]=3 11459 B9R1.166 CC1(C)CCC1C(=O)O Amb25032090 [0,1,0,1,0,0|0,0,0]=2 11460 B9R1.166 CC1(C)CNC1C(=O)O Amb24117326 [0,1,0,1,0,0|1,0,0]=3 11461 B9R1.166 CC1(C)CNC1C(=O)O Amb27253737 [0,1,0,1,0,0|1,0,0]=3 11462 B9R1.166 CC1(C)CN[C@@H]1C(=O)O Amb30869393 [0,1,0,1,0,0|1,0,0]=3 11463 B9R1.166 CC1(C)CN[C@H]1C(=O)O Amb34161295 [0,1,0,1,0,0|1,0,0]=3 11464 B9R1.166 CC1(C)COC1C(=O)Cl Amb35745011 [0,1,0,1,0,0|2,0,0]=4 11465 B9R1.166 CC1(C)COC1C(=O)O Amb8010835 [0,1,0,1,0,0|1,0,0]=3 11466 B9R1.166 O=C(O)C1CCC1(F)F Amb24452747 [0,1,0,1,0,0|1,0,0]=3 11467 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [0,1,0,1,0,0|2,0,0]=4 11468 B9R1.166 O=C(O)C1NCC1(F)F Amb27813163 [0,1,0,1,0,0|2,0,0]=4 11469 B9R2.18 CC1C2CCC(=O)C12 Amb27803582 [0,0,0,2,0,0|1,0,0]=3 11470 B9R2.18 CC1C2COC(O)C12 Amb27634415 [0,0,0,2,0,0|0,0,2]=4 11471 B9R2.18 CC1[C@@H]2CC[C@H](O)[C@H]12 Amb28052862 [0,0,0,2,0,0|1,0,1]=4 11472 B9R2.18 C[C@@H]1[C@@H]2CCC(=O)[C@@H]21 Amb27433144 [0,0,0,2,0,0|1,0,0]=3 11473 B9R2.18 C[C@@H]1[C@@H]2CO[C@@H](O)[C@@H]21 Amb27435976 [0,0,0,2,0,0|0,0,2]=4 11474 B9R2.18 C[C@H]1[C@@H]2CCC(=O)[C@H]12 Amb27433145 [0,0,0,2,0,0|1,0,0]=3 11475 B9R2.18 C[C@H]1[C@@H]2CC[C@@H](O)[C@H]12 Amb28345451 [0,0,0,2,0,0|1,0,1]=4 11476 B9R2.18 O=C1CC[C@H]2C(Br)[C@@H]12 Amb27630445 [0,0,0,2,0,0|2,0,0]=4 11477 B9R2.18 O=C1CC[C@H]2[C@@H](Br)[C@@H]12 Amb27644076 [0,0,0,2,0,0|2,0,0]=4 11478 B9R2.20 NC1=NCC2CCC12 Amb27602052 [0,0,0,2,0,0|2,0,0]=4 11479 B9R2.20 O=C1C=CC2CCC12 Amb22365116 [0,0,0,2,0,0|1,0,1]=4 11480 B9R2.20 O=C1CCC2CCC12 Amb26556513 [0,0,0,2,0,0|1,0,0]=3 11481 B9R2.20 O=C1CC[C@@H]2CC[C@H]12 Amb27214199 [0,0,0,2,0,0|1,0,0]=3 11482 B9R2.20 O=C1NCC2CCC12 Amb24121240 [0,0,0,2,0,0|1,0,0]=3 11483 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 Amb28131123 [0,0,0,2,0,0|1,0,0]=3 11484 B9R2.20 OC1OC[C@H]2CC[C@@H]12 Amb27213973 [0,0,0,2,0,0|0,0,2]=4 11485 B9R2.20 O[C@@H]1CC[C@H]2CC[C@@H]12 Amb27420440 [0,0,0,2,0,0|1,0,1]=4 11486 B9R2.20 O[C@H]1CC[C@@H]2CC[C@H]12 Amb28256395 [0,0,0,2,0,0|1,0,1]=4 11487 B9R2.20 O[C@H]1CC[C@H]2CC[C@@H]12 Amb27653200 [0,0,0,2,0,0|1,0,1]=4 11488 B9R2.31 CC1C2CC(=O)C1C2 Amb28193471 [0,0,0,2,0,0|1,0,0]=3 11489 B9R2.31 C[C@@H]1[C@@H]2C[C@H](O)[C@H]1C2 Amb27190682 [0,0,0,2,0,0|1,0,1]=4 11490 B9R2.31 C[C@@H]1[C@H]2CC(=O)[C@@H]1C2 Amb28320366 [0,0,0,2,0,0|1,0,0]=3 11491 B9R2.31 NC1C2CC1C(=O)N2 Amb27481752 [0,0,0,2,0,0|2,0,0]=4 11492 B9R2.31 NC1[C@@H]2C[C@H]1NC2=O Amb28131384 [0,0,0,2,0,0|2,0,0]=4 11493 B9R2.31 O=C1C[C@@H]2C[C@H]1[C@@H]2Cl Amb28195039 [0,0,0,2,0,0|2,0,0]=4 11494 B9R2.33 O=C1CC2CCC2C1 Amb28316189 [0,0,0,2,0,0|1,0,0]=3 11495 B9R2.33 O=C1CC2CCC2N1 Amb28398052 [0,0,0,2,0,0|1,0,0]=3 11496 B9R2.33 O=C1CC2CC[C@H]2C1 Amb28048983 [0,0,0,2,0,0|1,0,0]=3 11497 B9R2.33 O=C1C[C@@H]2CC[C@@H]2C1 Amb26937805 [0,0,0,2,0,0|1,0,0]=3 11498 B9R2.33 O=C1C[C@@H]2CC[C@@H]2N1 Amb27420727 [0,0,0,2,0,0|1,0,0]=3 11499 B9R2.33 O=C1NC2CCC2N1 Amb27804174 [0,0,0,2,0,0|2,0,0]=4 11500 B9R2.33 O=C1NC2CCC2O1 Amb26067754 [0,0,0,2,0,0|1,0,0]=3 11501 B9R2.33 OC1CC2CCC2C1 Amb28292645 [0,0,0,2,0,0|1,0,1]=4 11502 B9R2.33 OC1C[C@H]2CC[C@@H]2C1 Amb27208215 [0,0,0,2,0,0|1,0,1]=4 11503 B9R2.33 O[C@H]1C[C@@H]2CC[C@@H]2C1 Amb27836254 [0,0,0,2,0,0|1,0,1]=4 11504 B9R2.39 C=C1CC2CCC1C2 Amb4019165 [0,0,0,2,0,0|2,0,0]=4 11505 B9R2.39 CC1CC2CCC1O2 Amb27202757 [0,0,0,2,0,0|1,0,1]=4 11506 B9R2.39 O=C1CC2CC1CN2 Amb34912723 [0,0,0,2,0,0|2,0,0]=4 11507 B9R2.39 O=C1CC2CC1CO2 Amb28048948 [0,0,0,2,0,0|2,0,0]=4 11508 B9R2.39 O=C1CC2CC1CS2 Amb27199157 [0,0,0,2,0,0|2,0,0]=4 11509 B9R2.39 O=C1CC2CCC1C2 Amb6608983 [0,0,0,2,0,0|1,0,0]=3 11510 B9R2.39 O=C1CC2CCC1N2 Amb26502233 [0,0,0,2,0,0|2,0,0]=4 11511 B9R2.39 O=C1CC2CCC1O2 Amb25322815 [0,0,0,2,0,0|2,0,0]=4 11512 B9R2.39 O=C1CC2CNC1C2 Amb26860988 [0,0,0,2,0,0|2,0,0]=4 11513 B9R2.39 O=C1CC2COC1C2 Amb24734169 [0,0,0,2,0,0|2,0,0]=4 11514 B9R2.39 O=C1CC2CSC1C2 Amb28321970 [0,0,0,2,0,0|2,0,0]=4 11515 B9R2.39 O=C1CN2CCC1C2 Amb10067112 [0,0,0,2,0,0|2,0,0]=4 11516 B9R2.39 O=C1CN2CCC1C2 Amb20171539 [0,0,0,2,0,0|2,0,0]=4 11517 B9R2.39 O=C1CN2CC[C@@H]1C2 Amb26480461 [0,0,0,2,0,0|2,0,0]=4 11518 B9R2.39 O=C1C[C@@H]2CC[C@@H]1C2 Amb27622753 [0,0,0,2,0,0|1,0,0]=3 11519 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Amb4605941 [0,0,0,2,0,0|1,0,0]=3 11520 B9R2.39 O=C1C[C@@H]2C[C@H]1CN2 Amb26578211 [0,0,0,2,0,0|2,0,0]=4 11521 B9R2.39 O=C1C[C@@H]2C[C@H]1CN2 Amb33715684 [0,0,0,2,0,0|2,0,0]=4 11522 B9R2.39 O=C1C[C@H]2CC[C@@H]1N2 Amb27421729 [0,0,0,2,0,0|2,0,0]=4 11523 B9R2.39 O=C1C[C@H]2CC[C@@H]1O2 Amb27195774 [0,0,0,2,0,0|2,0,0]=4 11524 B9R2.39 O=C1C[C@H]2CS[C@@H]1C2 Amb28428954 [0,0,0,2,0,0|2,0,0]=4 11525 B9R2.39 O=C1NC2CCC1C2 Amb20623082 [0,0,0,2,0,0|2,0,0]=4 11526 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 Amb25174368 [0,0,0,2,0,0|2,0,0]=4 11527 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 Amb8516352 [0,0,0,2,0,0|2,0,0]=4 11528 B9R2.39 O=C1OC2CCC1C2 Amb31379084 [0,0,0,2,0,0|2,0,0]=4 11529 B9R2.39 OC1CC2CCC1C2 Amb2780727 [0,0,0,2,0,0|1,0,1]=4 11530 B9R2.39 OC1CC2CC[C@H]1C2 Amb28079100 [0,0,0,2,0,0|1,0,1]=4 11531 B9R2.39 OC1C[C@@H]2CC[C@H]1C2 Amb27962782 [0,0,0,2,0,0|1,0,1]=4 11532 B9R2.39 ON1C[C@@H]2CC[C@H]1C2 Amb25912114 [0,0,0,2,0,0|2,0,0]=4 11533 B9R2.39 O[C@@H]1C[C@@H]2CC[C@@H]1C2 Amb27481081 [0,0,0,2,0,0|1,0,1]=4 11534 B9R2.39 O[C@@H]1C[C@H]2CCC1C2 Amb28455166 [0,0,0,2,0,0|1,0,1]=4 11535 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 Amb10844941 [0,0,0,2,0,0|1,0,1]=4 11536 B9R2.39 O[C@H]1CC2CC[C@@H]1C2 Amb27853961 [0,0,0,2,0,0|1,0,1]=4 11537 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1C2 Amb24567063 [0,0,0,2,0,0|1,0,1]=4 11538 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 Amb3940163 [0,0,0,2,0,0|1,0,1]=4 11539 B9R2.54 C[C@@H]1[C@@H]2CC(O)C[C@@H]21 Amb27472588 [0,0,0,2,0,0|1,0,1]=4 11540 B9R2.54 C[C@@H]1[C@@H]2C[C@H](O)C[C@@H]21 Amb28346063 [0,0,0,2,0,0|1,0,1]=4 11541 B9R2.54 C[C@H]1[C@@H]2C[C@@H](O)C[C@H]12 Amb27452356 [0,0,0,2,0,0|1,0,1]=4 11542 B9R2.68 C1C[C@H]2CON(C1)C2 Amb27435263 [0,0,0,2,0,0|2,0,0]=4 11543 B9R2.110 OC12CCC(CC1)C2 Amb22235809 [0,0,0,2,0,0|1,0,1]=4 11544 B9R2.139 CC1CCC2(CO2)C1 Amb25678922 [0,0,0,2,0,0|1,0,1]=4 11545 B9R2.139 O=C1CC2(CC2)CN1 Amb25935275 [0,0,0,2,0,0|1,0,0]=3 11546 B9R2.139 O=C1CC2(CC2)CO1 Amb25662215 [0,0,0,2,0,0|0,0,0]=2 11547 B9R2.139 O=C1CCC2(CC2)N1 Amb16186647 [0,0,0,2,0,0|2,0,0]=4 11548 B9R2.139 O=C1COC2(CC2)C1 Amb35693021 [0,0,0,2,0,0|2,0,0]=4 11549 B9R2.139 O=C1NC2(CC2)CO1 Amb24572471 [0,0,0,2,0,0|1,0,0]=3 11550 B9R2.8 O=C1CC2CC(C1)C2 Amb25706934 [0,0,0,2,0,0|1,0,0]=3 11551 B9R2.8 O=C1CC2CC(C1)O2 Amb27261957 [0,0,0,2,0,0|2,0,0]=4 11552 B9R2.8 OC1CC2CC(C1)C2 Amb24719737 [0,0,0,2,0,0|1,0,1]=4 11553 B9R2.21 CC1CCC2OC2C1 Amb1141335 [0,0,0,2,0,0|1,0,1]=4 11554 B9R2.21 O=C1C=CC2CC2C1 Amb28284686 [0,0,0,2,0,0|1,0,1]=4 11555 B9R2.21 O=C1CC2CC2CN1 Amb33716335 [0,0,0,2,0,0|1,0,0]=3 11556 B9R2.21 O=C1CCC2CC2C1 Amb28316224 [0,0,0,2,0,0|1,0,0]=3 11557 B9R2.21 O=C1CCC2CC2N1 Amb27636987 [0,0,0,2,0,0|2,0,0]=4 11558 B9R2.21 O=C1CCC2CC2O1 Amb27422131 [0,0,0,2,0,0|2,0,0]=4 11559 B9R2.21 O=C1NC2CC2CO1 Amb28247932 [0,0,0,2,0,0|1,0,0]=3 11560 B9R2.21 OC1CC2CC2CO1 Amb28065974 [0,0,0,2,0,0|0,0,2]=4 11561 B9R2.21 OC1CC[C@@H]2C[C@@H]2C1 Amb27857686 [0,0,0,2,0,0|1,0,1]=4 11562 B9R2.21 O[C@H]1CC[C@H]2C[C@H]2C1 Amb27978320 [0,0,0,2,0,0|1,0,1]=4 11563 B9R2.25 CC1=CC(=O)[C@@H]2C[C@H]12 Amb27797370 [0,0,0,2,0,0|1,0,1]=4 11564 B9R2.25 CC1CC(=O)C2CC12 Amb27598799 [0,0,0,2,0,0|1,0,0]=3 11565 B9R2.25 O=C1OC(=O)C2CC12 Amb2445133 [0,0,0,2,0,0|1,0,1]=4 11566 B9R2.25 O=C1OC(=O)[C@@H]2C[C@H]12 Amb27236139 [0,0,0,2,0,0|1,0,1]=4 11567 B9R2.38 CC12CC(=O)CC1C2 Amb24357249 [0,0,0,2,0,0|1,0,0]=3 11568 B9R2.38 C[C@]12C[C@H]1C[C@@H](O)C2 Amb28053792 [0,0,0,2,0,0|1,0,1]=4 11569 B9R2.96 OC12CCCC(C1)C2 Amb34158542 [0,0,0,2,0,0|1,0,1]=4 11570 B9R2.109 O=C1C=CCC2CC12 Amb27261956 [0,0,0,2,0,0|1,0,1]=4 11571 B9R2.109 O=C1C=CC[C@H]2C[C@@H]12 Amb27199136 [0,0,0,2,0,0|1,0,1]=4 11572 B9R2.109 O=C1CCCC2CC12 Amb17593139 [0,0,0,2,0,0|1,0,0]=3 11573 B9R2.109 O=C1CCCC2OC12 Amb20671097 [0,0,0,2,0,0|2,0,0]=4 11574 B9R2.109 O=C1CCC[C@@H]2C[C@@H]12 Amb24512517 [0,0,0,2,0,0|1,0,0]=3 11575 B9R2.109 O=C1CCC[C@@H]2C[C@H]12 Amb25934279 [0,0,0,2,0,0|1,0,0]=3 11576 B9R2.109 O=C1CCC[C@H]2C[C@@H]12 Amb24723004 [0,0,0,2,0,0|1,0,0]=3 11577 B9R2.109 O=C1CCC[C@H]2C[C@H]12 Amb27640590 [0,0,0,2,0,0|1,0,0]=3 11578 B9R2.109 O=C1CCNC2CC12 Amb27239180 [0,0,0,2,0,0|2,0,0]=4 11579 B9R2.109 O=C1NCC[C@@H]2O[C@H]12 Amb27446837 [0,0,0,2,0,0|2,0,0]=4 11580 B9R2.109 O=C1NNCC2CC12 Amb27797433 [0,0,0,2,0,0|2,0,0]=4 11581 B9R2.109 OC1CCCC2CC12 Amb26963531 [0,0,0,2,0,0|1,0,1]=4 11582 B9R2.109 OC1CCC[C@@H]2C[C@H]12 Amb27659888 [0,0,0,2,0,0|1,0,1]=4 11583 B9R2.109 O[C@@H]1CCC[C@H]2C[C@H]21 Amb27432134 [0,0,0,2,0,0|1,0,1]=4 11584 B9R2.109 O[C@H]1CCC[C@@H]2C[C@H]12 Amb27261725 [0,0,0,2,0,0|1,0,1]=4 11585 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Amb27805079 [0,0,0,2,0,0|1,0,1]=4 11586 B9R2.12 CC1CC1CC2CO2 Amb33144969 [0,0,0,2,0,0|1,0,1]=4 11587 B9R2.119 O=S1(=O)CC2CC2C1 Amb32679441 [0,0,0,2,0,0|1,0,1]=4 11588 B9R2.119 O=S1(=O)C[C@H]2C[C@H]2C1 Amb32680426 [0,0,0,2,0,0|1,0,1]=4 11589 B9R2.150 CC(=O)[C@@H]1C[C@@H]2C[C@@H]21 Amb25179150 [0,0,0,2,0,0|1,0,0]=3 11590 B9R2.150 CC(=O)[C@H]1C[C@@H]2C[C@@H]21 Amb27640618 [0,0,0,2,0,0|1,0,0]=3 11591 B9R2.150 O=C(O)C1CC2CC21 Amb25049722 [0,0,0,2,0,0|0,0,0]=2 11592 B9R2.144 O=C(O)C12CCC1C2 Amb28252733 [0,0,0,2,0,0|0,0,0]=2 11593 B9R2.147 O=C(O)C1C2CC1C2 Amb27634394 [0,0,0,2,0,0|0,0,0]=2 11594 B9R2.138 O=C1CC2(CCC2)C1 Amb20668529 [0,0,0,2,0,0|1,0,0]=3 11595 B9R2.138 O=C1CC2(CCC2)N1 Amb19149093 [0,0,0,2,0,0|1,0,0]=3 11596 B9R2.138 O=C1CC2(CNC2)C1 Amb25747338 [0,0,0,2,0,0|2,0,0]=4 11597 B9R2.138 O=C1CC2(CNC2)C1 Amb30869313 [0,0,0,2,0,0|2,0,0]=4 11598 B9R2.138 O=C1CC2(CNC2)C1 Amb34139369 [0,0,0,2,0,0|2,0,0]=4 11599 B9R2.138 O=C1CC2(COC2)C1 Amb22406126 [0,0,0,2,0,0|2,0,0]=4 11600 B9R2.138 O=C1CC2(CSC2)C1 Amb22406070 [0,0,0,2,0,0|2,0,0]=4 11601 B9R2.138 OC1CC2(CCC2)C1 Amb25113635 [0,0,0,2,0,0|1,0,1]=4 11602 B9R2.148 O=C(O)C1C2CCC21 Amb24350799 [0,0,0,2,0,0|0,0,0]=2 11603 B9R2.157 C1CC(CC2CO2)C1 Amb26390615 [0,0,0,2,0,0|1,0,1]=4 11604 B9R2.192 CC1(CC2CO2)CC1 Amb33312926 [0,0,0,2,0,0|1,0,1]=4 11605 B9R2.143 CC(=O)C1CC12CC2 Amb24725286 [0,0,0,2,0,0|1,0,0]=3 11606 B9R2.143 CC(=O)C1OC12CC2 Amb26338327 [0,0,0,2,0,0|2,0,0]=4 11607 B9R2.143 CC(O)C1CC12CC2 Amb28344703 [0,0,0,2,0,0|1,0,1]=4 11608 B9R2.143 C[C@@H](O)C1CC12CC2 Amb32675111 [0,0,0,2,0,0|1,0,1]=4 11609 B9R2.143 C[C@H](O)C1CC12CC2 Amb35607819 [0,0,0,2,0,0|1,0,1]=4 11610 B9R2.143 N=C(N)C1CC12CC2 Amb26566671 [0,0,0,2,0,0|2,0,0]=4 11611 B9R2.143 N=C(N)C1CC12CC2 Amb33804152 [0,0,0,2,0,0|2,0,0]=4 11612 B9R2.143 NC(=S)C1CC12CC2 Amb33328378 [0,0,0,2,0,0|1,1,0]=4 11613 B9R2.143 O=C(O)C1CC12CC2 Amb8010165 [0,0,0,2,0,0|0,0,0]=2 11614 B9R2.143 O=C(O)[C@@H]1CC12CC2 Amb28071386 [0,0,0,2,0,0|0,0,0]=2 11615 B9R2.120 O=S1(=O)CCC2CC21 Amb32676812 [0,0,0,2,0,0|1,0,1]=4 11616 B9R2.120 O=S1(=O)CC[C@@H]2C[C@@H]21 Amb32679242 [0,0,0,2,0,0|1,0,1]=4 11617 B5R0.5 C=C(Br)C(C)C Amb22583736 [1,0,0,0,1,0|2,0,0]=4 11618 B5R0.5 C=C(C)C(=O)O Amb6608998 [1,0,0,0,1,0|0,0,2]=4 11619 B5R0.5 C=C(C)C(C)C Amb8513830 [1,0,0,0,1,0|2,0,0]=4 11620 B5R0.5 CC(=O)C(=O)O Amb932807 [1,0,0,0,1,0|1,0,1]=4 11621 B5R0.5 CC(=O)C(C)Br Amb8384405 [1,0,0,0,1,0|2,0,0]=4 11622 B5R0.5 CC(=O)C(C)C Amb4605987 [1,0,0,0,1,0|1,0,0]=3 11623 B5R0.5 CC(=O)C(C)Cl Amb9702838 [1,0,0,0,1,0|2,0,0]=4 11624 B5R0.5 CC(=O)C(C)F Amb10841897 [1,0,0,0,1,0|2,0,0]=4 11625 B5R0.5 CC(=O)C(C)I Amb28315734 [1,0,0,0,1,0|2,0,0]=4 11626 B5R0.5 CC(=O)C(C)N Amb17593029 [1,0,0,0,1,0|2,0,0]=4 11627 B5R0.5 CC(=O)C(C)N Amb19148817 [1,0,0,0,1,0|2,0,0]=4 11628 B5R0.5 CC(=O)C(C)O Amb6608962 [1,0,0,0,1,0|2,0,0]=4 11629 B5R0.5 CC(=O)C(C)S Amb8393169 [1,0,0,0,1,0|2,0,0]=4 11630 B5R0.5 CC(=O)N(C)C Amb24323347 [1,0,0,0,1,0|2,0,0]=4 11631 B5R0.5 CC(=O)N(C)C Amb2793066 [1,0,0,0,1,0|2,0,0]=4 11632 B5R0.5 CC(=O)[C@@H](C)N Amb22748924 [1,0,0,0,1,0|2,0,0]=4 11633 B5R0.5 CC(=O)[C@H](C)N Amb26418661 [1,0,0,0,1,0|2,0,0]=4 11634 B5R0.5 CC(=S)C(=O)O Amb27424126 [1,0,0,0,1,0|1,0,1]=4 11635 B5R0.5 CC(Br)C(=O)Br Amb7969424 [1,0,0,0,1,0|2,0,0]=4 11636 B5R0.5 CC(Br)C(=O)Cl Amb6296592 [1,0,0,0,1,0|2,0,0]=4 11637 B5R0.5 CC(Br)C(=O)O Amb2795764 [1,0,0,0,1,0|1,0,0]=3 11638 B5R0.5 CC(Br)C(N)=O Amb2779903 [1,0,0,0,1,0|2,0,0]=4 11639 B5R0.5 CC(C)B(O)O Amb2447044 [1,0,0,0,1,0|1,0,1]=4 11640 B5R0.5 CC(C)C(=N)N Amb2695035 [1,0,0,0,1,0|2,0,0]=4 11641 B5R0.5 CC(C)C(=N)N Amb2725173 [1,0,0,0,1,0|2,0,0]=4 11642 B5R0.5 CC(C)C(=O)Br Amb22731066 [1,0,0,0,1,0|1,0,0]=3 11643 B5R0.5 CC(C)C(=O)Cl Amb3939052 [1,0,0,0,1,0|1,0,0]=3 11644 B5R0.5 CC(C)C(=O)F Amb25848493 [1,0,0,0,1,0|1,0,0]=3 11645 B5R0.5 CC(C)C(=O)I Amb26992316 [1,0,0,0,1,0|1,0,0]=3 11646 B5R0.5 CC(C)C(=O)O Amb3939822 [1,0,0,0,1,0|0,0,0]=2 11647 B5R0.5 CC(C)C(=O)S Amb33482574 [1,0,0,0,1,0|0,1,0]=3 11648 B5R0.5 CC(C)C(C)O Amb9748261 [1,0,0,0,1,0|1,0,1]=4 11649 B5R0.5 CC(C)C(N)=O Amb1153145 [1,0,0,0,1,0|1,0,0]=3 11650 B5R0.5 CC(C)C(N)=S Amb6242688 [1,0,0,0,1,0|1,1,0]=4 11651 B5R0.5 CC(C)N(=O)=O Amb8395293 [1,0,0,0,1,0|1,0,1]=4 11652 B5R0.5 CC(C)N(=O)O Amb33789630 [1,0,0,0,1,0|1,0,0]=3 11653 B5R0.5 CC(C)S(=O)Cl Amb27859539 [1,0,0,0,1,0|2,0,0]=4 11654 B5R0.5 CC(C)S(=O)O Amb27245066 [1,0,0,0,1,0|1,0,0]=3 11655 B5R0.5 CC(C)S(=O)[O-] Amb19929129 [1,0,0,0,1,0|1,0,1]=4 11656 B5R0.5 CC(C)S(N)=O Amb25675545 [1,0,0,0,1,0|2,0,0]=4 11657 B5R0.5 CC(C)[C@@H](C)O Amb13952942 [1,0,0,0,1,0|1,0,1]=4 11658 B5R0.5 CC(C)[C@H](C)O Amb6366846 [1,0,0,0,1,0|1,0,1]=4 11659 B5R0.5 CC(C)[N+](=O)[O-] Amb6608812 [1,0,0,0,1,0|1,0,1]=4 11660 B5R0.5 CC(Cl)C(=O)Cl Amb9703139 [1,0,0,0,1,0|2,0,0]=4 11661 B5R0.5 CC(Cl)C(=O)F Amb27863699 [1,0,0,0,1,0|2,0,0]=4 11662 B5R0.5 CC(Cl)C(=O)O Amb3940363 [1,0,0,0,1,0|1,0,0]=3 11663 B5R0.5 CC(Cl)C(N)=O Amb9745753 [1,0,0,0,1,0|2,0,0]=4 11664 B5R0.5 CC(Cl)S(=O)O Amb27983761 [1,0,0,0,1,0|2,0,0]=4 11665 B5R0.5 CC(F)C(=O)O Amb10605770 [1,0,0,0,1,0|1,0,0]=3 11666 B5R0.5 CC(F)C(N)=O Amb28248497 [1,0,0,0,1,0|2,0,0]=4 11667 B5R0.5 CC(I)C(=O)O Amb26450528 [1,0,0,0,1,0|1,0,0]=3 11668 B5R0.5 CC(I)C(N)=O Amb25684673 [1,0,0,0,1,0|2,0,0]=4 11669 B5R0.5 CC(N)C(=O)O Amb32724352 [1,0,0,0,1,0|1,0,0]=3 11670 B5R0.5 CC(N)C(=O)O Amb5716847 [1,0,0,0,1,0|1,0,0]=3 11671 B5R0.5 CC(N)C(=O)S Amb27175379 [1,0,0,0,1,0|1,1,0]=4 11672 B5R0.5 CC(N)C(N)=O Amb21958673 [1,0,0,0,1,0|2,0,0]=4 11673 B5R0.5 CC(N)C(N)=O Amb33532935 [1,0,0,0,1,0|2,0,0]=4 11674 B5R0.5 CC(O)C(=O)O Amb9703100 [1,0,0,0,1,0|1,0,0]=3 11675 B5R0.5 CC(O)C(=O)[O-] Amb3499440 [1,0,0,0,1,0|1,0,1]=4 11676 B5R0.5 CC(O)C(=O)[O-] Amb9787591 [1,0,0,0,1,0|1,0,1]=4 11677 B5R0.5 CC(O)C(N)=O Amb6394657 [1,0,0,0,1,0|2,0,0]=4 11678 B5R0.5 CC(S)C(=O)O Amb6608753 [1,0,0,0,1,0|1,0,0]=3 11679 B5R0.5 CN(C)C(=O)Cl Amb2793056 [1,0,0,0,1,0|2,0,0]=4 11680 B5R0.5 CN(C)C(=O)O Amb22348477 [1,0,0,0,1,0|1,0,0]=3 11681 B5R0.5 CN(C)C(N)=O Amb2604398 [1,0,0,0,1,0|2,0,0]=4 11682 B5R0.5 C[C@@H](Br)C(=O)Br Amb27455066 [1,0,0,0,1,0|2,0,0]=4 11683 B5R0.5 C[C@@H](Br)C(=O)Cl Amb26395930 [1,0,0,0,1,0|2,0,0]=4 11684 B5R0.5 C[C@@H](Br)C(=O)O Amb8515030 [1,0,0,0,1,0|1,0,0]=3 11685 B5R0.5 C[C@@H](Cl)C(=O)Cl Amb28140701 [1,0,0,0,1,0|2,0,0]=4 11686 B5R0.5 C[C@@H](Cl)C(=O)O Amb2725594 [1,0,0,0,1,0|1,0,0]=3 11687 B5R0.5 C[C@@H](I)C(=O)O Amb27878762 [1,0,0,0,1,0|1,0,0]=3 11688 B5R0.5 C[C@@H](I)C(N)=O Amb27863419 [1,0,0,0,1,0|2,0,0]=4 11689 B5R0.5 C[C@@H](N)C(=O)O Amb3940457 [1,0,0,0,1,0|1,0,0]=3 11690 B5R0.5 C[C@@H](N)C(N)=O Amb2371905 [1,0,0,0,1,0|2,0,0]=4 11691 B5R0.5 C[C@@H](N)C(N)=O Amb2778751 [1,0,0,0,1,0|2,0,0]=4 11692 B5R0.5 C[C@@H](O)C(=O)Cl Amb28350419 [1,0,0,0,1,0|2,0,0]=4 11693 B5R0.5 C[C@@H](O)C(=O)O Amb6600026 [1,0,0,0,1,0|1,0,0]=3 11694 B5R0.5 C[C@@H](O)C(=O)[O-] Amb22350432 [1,0,0,0,1,0|1,0,1]=4 11695 B5R0.5 C[C@@H](O)C(=O)[O-] Amb8514494 [1,0,0,0,1,0|1,0,1]=4 11696 B5R0.5 C[C@@H](O)C(N)=O Amb3939680 [1,0,0,0,1,0|2,0,0]=4 11697 B5R0.5 C[C@H](Br)C(=O)O Amb8515029 [1,0,0,0,1,0|1,0,0]=3 11698 B5R0.5 C[C@H](Cl)C(=O)Cl Amb24373163 [1,0,0,0,1,0|2,0,0]=4 11699 B5R0.5 C[C@H](Cl)C(=O)F Amb28138044 [1,0,0,0,1,0|2,0,0]=4 11700 B5R0.5 C[C@H](Cl)C(=O)O Amb17776586 [1,0,0,0,1,0|1,0,0]=3 11701 B5R0.5 C[C@H](F)C(=O)O Amb27216697 [1,0,0,0,1,0|1,0,0]=3 11702 B5R0.5 C[C@H](N)C(=O)O Amb33780861 [1,0,0,0,1,0|1,0,0]=3 11703 B5R0.5 C[C@H](N)C(=O)O Amb6298336 [1,0,0,0,1,0|1,0,0]=3 11704 B5R0.5 C[C@H](N)C(=O)S Amb28315892 [1,0,0,0,1,0|1,1,0]=4 11705 B5R0.5 C[C@H](N)C(N)=O Amb20670443 [1,0,0,0,1,0|2,0,0]=4 11706 B5R0.5 C[C@H](N)C(N)=O Amb2371522 [1,0,0,0,1,0|2,0,0]=4 11707 B5R0.5 C[C@H](N)C(N)=O Amb2778752 [1,0,0,0,1,0|2,0,0]=4 11708 B5R0.5 C[C@H](N)C(N)=O Amb33822632 [1,0,0,0,1,0|2,0,0]=4 11709 B5R0.5 C[C@H](O)C(=O)O Amb8386374 [1,0,0,0,1,0|1,0,0]=3 11710 B5R0.5 C[C@H](O)C(=O)[O-] Amb17772234 [1,0,0,0,1,0|1,0,1]=4 11711 B5R0.5 C[C@H](O)C(=O)[O-] Amb8515200 [1,0,0,0,1,0|1,0,1]=4 11712 B5R0.5 C[C@H](O)C(N)=O Amb3939676 [1,0,0,0,1,0|2,0,0]=4 11713 B5R0.5 C[C@H](S)C(=O)O Amb25147510 [1,0,0,0,1,0|1,0,0]=3 11714 B5R0.5 NC(Br)C(=O)O Amb25724348 [1,0,0,0,1,0|2,0,0]=4 11715 B5R0.5 NC(O)C(=O)O Amb24663706 [1,0,0,0,1,0|2,0,0]=4 11716 B5R0.5 NC(S)C(=O)O Amb27253385 [1,0,0,0,1,0|2,0,0]=4 11717 B5R0.5 N[C@@H](S)C(=O)O Amb27788398 [1,0,0,0,1,0|2,0,0]=4 11718 B5R0.5 O=C(O)C(Br)I Amb17610018 [1,0,0,0,1,0|2,0,0]=4 11719 B5R0.5 O=C(O)C(Cl)Cl Amb6891960 [1,0,0,0,1,0|2,0,0]=4 11720 B5R0.5 O=C(O)C(Cl)I Amb17610937 [1,0,0,0,1,0|2,0,0]=4 11721 B5R0.5 O=C(O)C(F)Br Amb10841090 [1,0,0,0,1,0|2,0,0]=4 11722 B5R0.5 O=C(O)C(F)Cl Amb10838714 [1,0,0,0,1,0|2,0,0]=4 11723 B5R0.5 O=C(O)C(F)F Amb1953492 [1,0,0,0,1,0|2,0,0]=4 11724 B5R0.5 O=C(O)C(F)I Amb10838458 [1,0,0,0,1,0|2,0,0]=4 11725 B5R0.5 O=C(O)C(I)I Amb17612865 [1,0,0,0,1,0|2,0,0]=4 11726 B5R0.5 O=C(O)C(O)O Amb6608986 [1,0,0,0,1,0|2,0,0]=4 11727 B5R0.5 O=C(O)[C@@H](F)Cl Amb26559563 [1,0,0,0,1,0|2,0,0]=4 11728 B5R0.5 O=C(O)[C@@H](F)I Amb27827825 [1,0,0,0,1,0|2,0,0]=4 11729 B5R0.5 O=C(O)[C@H](F)Br Amb28200717 [1,0,0,0,1,0|2,0,0]=4 11730 B9R0.1 C#CC(C)CCCC(=O)O Amb27273525 [0,0,0,0,0,2|0,0,2]=4 11731 B9R0.1 C#CC(C)OCCC(=O)O Amb28041173 [0,0,0,0,0,2|0,0,2]=4 11732 B9R0.1 C=C(Br)CSCC(C)CC Amb27457594 [0,0,0,0,0,2|2,0,0]=4 11733 B9R0.1 C=C(C)CONC(C)CC Amb27628403 [0,0,0,0,0,2|2,0,0]=4 11734 B9R0.1 C=C(CC)CNCC(=O)O Amb27661467 [0,0,0,0,0,2|0,0,2]=4 11735 B9R0.1 C=CC(C)COCC(=O)O Amb27831618 [0,0,0,0,0,2|0,0,2]=4 11736 B9R0.1 C=CC(C)OCCC(=O)O Amb27404617 [0,0,0,0,0,2|0,0,2]=4 11737 B9R0.1 CC(=O)CCC[C@@H](C)CO Amb26391997 [0,0,0,0,0,2|2,0,0]=4 11738 B9R0.1 CC(=O)CCNC(C)CO Amb32675833 [0,0,0,0,0,2|2,0,0]=4 11739 B9R0.1 CC(=O)NCCC(C)CO Amb28203991 [0,0,0,0,0,2|2,0,0]=4 11740 B9R0.1 CC(=O)OCCC(C)CBr Amb27866079 [0,0,0,0,0,2|2,0,0]=4 11741 B9R0.1 CC(C#N)CCCC(=O)O Amb18643710 [0,0,0,0,0,2|1,0,1]=4 11742 B9R0.1 CC(C#N)C\C=C\C(=O)O Amb24670837 [0,0,0,0,0,2|1,0,1]=4 11743 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [0,0,0,0,0,2|1,0,1]=4 11744 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [0,0,0,0,0,2|1,0,0]=3 11745 B9R0.1 CC(CN)CSCC(=O)O Amb27639745 [0,0,0,0,0,2|1,0,0]=3 11746 B9R0.1 CC(CN)OCCC(=O)O Amb18629690 [0,0,0,0,0,2|1,0,0]=3 11747 B9R0.1 CC(CN)SCCC(=O)O Amb27425055 [0,0,0,0,0,2|1,0,0]=3 11748 B9R0.1 CC(CO)CNCC(=O)O Amb28246419 [0,0,0,0,0,2|1,0,0]=3 11749 B9R0.1 CC(CO)CNCC(N)=O Amb27463837 [0,0,0,0,0,2|2,0,0]=4 11750 B9R0.1 CC(CO)COCC(=O)O Amb28280816 [0,0,0,0,0,2|1,0,0]=3 11751 B9R0.1 CC(CO)CSCC(=O)O Amb28365901 [0,0,0,0,0,2|1,0,0]=3 11752 B9R0.1 CC(CO)CSCC(N)=O Amb27649504 [0,0,0,0,0,2|2,0,0]=4 11753 B9R0.1 CC(CO)N\C=C\C(=O)O Amb27776997 [0,0,0,0,0,2|1,0,1]=4 11754 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [0,0,0,0,0,2|1,0,1]=4 11755 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [0,0,0,0,0,2|1,0,1]=4 11756 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [0,0,0,0,0,2|1,0,1]=4 11757 B9R0.1 CCC(C)CC#CC(=O)O Amb24661749 [0,0,0,0,0,2|0,0,0]=2 11758 B9R0.1 CCC(C)CCC=C(C)C Amb25076343 [0,0,0,0,0,2|2,0,0]=4 11759 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [0,0,0,0,0,2|0,0,0]=2 11760 B9R0.1 CCC(C)CCCC(C)=O Amb24424926 [0,0,0,0,0,2|1,0,0]=3 11761 B9R0.1 CCC(C)CCOC(C)=O Amb24325171 [0,0,0,0,0,2|1,0,0]=3 11762 B9R0.1 CCC(C)CNCC(N)=O Amb6718890 [0,0,0,0,0,2|1,0,0]=3 11763 B9R0.1 CCC(C)COCC(=O)O Amb28368866 [0,0,0,0,0,2|0,0,0]=2 11764 B9R0.1 CCC(C)CONC(N)=O Amb27448732 [0,0,0,0,0,2|1,0,0]=3 11765 B9R0.1 CCC(C)CSCC(C)=O Amb27590937 [0,0,0,0,0,2|1,0,0]=3 11766 B9R0.1 CCC(C)NCC=C(C)C Amb27489470 [0,0,0,0,0,2|2,0,0]=4 11767 B9R0.1 CCC(C)NCCC(C)=O Amb28321451 [0,0,0,0,0,2|1,0,0]=3 11768 B9R0.1 CCC(C)NCCC(N)=O Amb19960042 [0,0,0,0,0,2|1,0,0]=3 11769 B9R0.1 CCC(C)NCCC(N)=O Amb8841100 [0,0,0,0,0,2|1,0,0]=3 11770 B9R0.1 CCC(C)NOCC(N)=O Amb28383310 [0,0,0,0,0,2|1,0,0]=3 11771 B9R0.1 CCC(C)OCCC(=O)O Amb27947378 [0,0,0,0,0,2|0,0,0]=2 11772 B9R0.1 CCC(C)OCCC(C)=O Amb22229878 [0,0,0,0,0,2|1,0,0]=3 11773 B9R0.1 CCC(C)OCCC(N)=O Amb27412703 [0,0,0,0,0,2|1,0,0]=3 11774 B9R0.1 CCC(C)OCCC(N)=S Amb18180036 [0,0,0,0,0,2|1,1,0]=4 11775 B9R0.1 CCC(C)OCSC(=N)N Amb28282123 [0,0,0,0,0,2|2,0,0]=4 11776 B9R0.1 CCC(Cl)CCOC(C)=O Amb27984879 [0,0,0,0,0,2|2,0,0]=4 11777 B9R0.1 CCC(F)CSCC(C)=O Amb27804706 [0,0,0,0,0,2|2,0,0]=4 11778 B9R0.1 CCC(N)CCNC(N)=O Amb27842050 [0,0,0,0,0,2|2,0,0]=4 11779 B9R0.1 CCC(O)CC#CC(=O)O Amb27461426 [0,0,0,0,0,2|1,0,0]=3 11780 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [0,0,0,0,0,2|1,0,0]=3 11781 B9R0.1 CCC(O)CCNC(N)=O Amb27262212 [0,0,0,0,0,2|2,0,0]=4 11782 B9R0.1 CCC(O)CSCC(=O)O Amb18792573 [0,0,0,0,0,2|1,0,0]=3 11783 B9R0.1 CCN(C)CCCC(C)=O Amb9659156 [0,0,0,0,0,2|2,0,0]=4 11784 B9R0.1 CCN(C)C\C=C\C(=O)O Amb19020698 [0,0,0,0,0,2|1,0,0]=3 11785 B9R0.1 CCN(C)C\C=C\C(N)=O Amb26458649 [0,0,0,0,0,2|2,0,0]=4 11786 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [0,0,0,0,0,2|2,0,0]=4 11787 B9R0.1 CCN(O)C\C=C\C(=O)O Amb27784415 [0,0,0,0,0,2|2,0,0]=4 11788 B9R0.1 CCS(=O)NOCC(=O)O Amb27249429 [0,0,0,0,0,2|2,0,0]=4 11789 B9R0.1 CC[C@@H](O)CCCC(C)=O Amb27227255 [0,0,0,0,0,2|2,0,0]=4 11790 B9R0.1 CC[C@@H](O)CNCC(N)=O Amb27226499 [0,0,0,0,0,2|2,0,0]=4 11791 B9R0.1 CC[C@@H](O)CSCC(N)=O Amb28202586 [0,0,0,0,0,2|2,0,0]=4 11792 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [0,0,0,0,0,2|0,0,0]=2 11793 B9R0.1 CC[C@H](C)C\C=C/C(=O)O Amb27779551 [0,0,0,0,0,2|0,0,0]=2 11794 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [0,0,0,0,0,2|0,0,1]=3 11795 B9R0.1 CC\C(C)=C\CCC(C)=O Amb2721172 [0,0,0,0,0,2|1,0,1]=4 11796 B9R0.1 CNC(C)CCNC(N)=O Amb28067069 [0,0,0,0,0,2|2,0,0]=4 11797 B9R0.1 COC(C)CCNC(C)=O Amb27260083 [0,0,0,0,0,2|2,0,0]=4 11798 B9R0.1 COC(C)CCOC(C)=O Amb19958959 [0,0,0,0,0,2|2,0,0]=4 11799 B9R0.1 COC(C)CONC(C)=O Amb27856871 [0,0,0,0,0,2|2,0,0]=4 11800 B9R0.1 COC(C)OCCC(C)=O Amb27267196 [0,0,0,0,0,2|2,0,0]=4 11801 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [0,0,0,0,0,2|2,0,0]=4 11802 B9R0.1 CSC(C)CCNC(C)=O Amb27964419 [0,0,0,0,0,2|2,0,0]=4 11803 B9R0.1 CSC(C)CCOC(=O)Cl Amb28199680 [0,0,0,0,0,2|2,0,0]=4 11804 B9R0.1 CSC(C)\C=C/CC(=O)O Amb28121047 [0,0,0,0,0,2|1,0,0]=3 11805 B9R0.1 CSC(C)\C=C\CC(=O)O Amb18645413 [0,0,0,0,0,2|1,0,0]=3 11806 B9R0.1 C[C@@H](CF)NCCC(N)=O Amb28315929 [0,0,0,0,0,2|2,0,0]=4 11807 B9R0.1 C\C(CCl)=N/OCC(=O)O Amb27831952 [0,0,0,0,0,2|1,0,1]=4 11808 B9R0.1 C\C(CF)=N/OCC(=O)O Amb27174879 [0,0,0,0,0,2|1,0,1]=4 11809 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [0,0,0,0,0,2|2,0,0]=4 11810 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [0,0,0,0,0,2|2,0,0]=4 11811 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [0,0,0,0,0,2|2,0,0]=4 11812 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [0,0,0,0,0,2|2,0,0]=4 11813 B9R0.1 O=C(O)CSCC(O)CCl Amb27858669 [0,0,0,0,0,2|2,0,0]=4