0 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.96 CC(=O)CCC(C)C=C(C)C Amb28080305 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.96 CC(=O)C\C(C)=C\OC(C)=O Amb28080264 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.96 CC(=O)C\C=C(\C)OC(C)=O Amb27673576 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.96 CC(=O)NC(C)COC(C)=O Amb28080103 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.96 CC(=O)NCC(C)CC(C)Br Amb27671792 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.96 CC(=O)NCC(C)CC(C)Cl Amb27671820 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.96 CC(=O)NCC(C)CC(C)N Amb27671826 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.96 CC(=O)NCC(C)CC(C)O Amb28351961 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.96 CC(=O)NCC(C)CN(C)C Amb27671424 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.96 CC(=O)NCC(C)NC(C)=O Amb17795374 [0,0,0,0,0,0|2,0,0]=2 13 B10R0.96 CC(=O)NCC(C)OC(C)=O Amb27673655 [0,0,0,0,0,0|1,0,0]=1 14 B10R0.96 CC(=O)NCC(O)CC(=O)O Amb28079665 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.96 CC(=O)NC[C@H](C)OC(C)=O Amb27673459 [0,0,0,0,0,0|1,0,0]=1 16 B10R0.96 CC(=O)NN(C)CCC(=O)O Amb24764551 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.96 CC(=O)N[C@H](C)COC(C)=O Amb28080102 [0,0,0,0,0,0|1,0,0]=1 18 B10R0.96 CC(=O)N\C(C)=C/SC(C)=O Amb27176505 [0,0,0,0,0,0|1,1,2]=4 19 B10R0.96 CC(=O)OC(C)C#CC(=O)O Amb28422372 [0,0,0,0,0,0|2,0,1]=3 20 B10R0.96 CC(=O)OC(C)C#CC(C)O Amb28185172 [0,0,0,0,0,0|1,0,3]=4 21 B10R0.96 CC(=O)OC(C)\C=C\C(C)Cl Amb26659311 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.96 CC(=O)OCC(=O)C=C(C)C Amb27673722 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.96 CC(=O)OCC(C)OC(C)=O Amb2721142 [0,0,0,0,0,0|0,0,0]=0 24 B10R0.96 CC(=O)\C=C/C(=O)OC(C)=O Amb27672303 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.96 CC(=O)\C=C\[C@@H](C)CC(C)=O Amb28080334 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.96 CC(=O)\C=C\[C@H](C)CC(C)=O Amb28080335 [0,0,0,0,0,0|2,0,1]=3 27 B10R0.96 CC(CCC(=O)Cl)CC(=O)Cl Amb3940506 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.96 CC(CCC(=O)O)CC(=O)O Amb6608722 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.96 CC(CCS(C)=O)NC(N)=O Amb27670501 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.96 CC(COC(C)C)CC(=O)O Amb33079248 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.4 C=CCCC(C)CC(C)=O Amb24738371 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.4 CC#CCC(C)CC(C)=O Amb27839057 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.4 CC(=O)CC(C)CCC=O Amb27838122 [1,0,0,0,0,0|2,0,0]=3 35 B9R0.4 CC(=O)CC(C)\C=C\C=O Amb24442359 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.4 CC(=O)OC(=O)CCC=O Amb27224215 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.4 CC(=O)OC(C)COCCl Amb27244906 [1,0,0,0,0,0|1,0,1]=3 38 B9R0.4 CC(CCC=O)CC(=O)O Amb28251065 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.4 CCCCC(C)NC(C)=O Amb27487886 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.4 CCCCC(C)OC(=O)Cl Amb32654980 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.4 CCCCC(C)OC(C)=O Amb27594424 [1,0,0,0,0,0|1,0,1]=3 42 B9R0.4 CCCCC(C)OC(N)=O Amb28050035 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.4 CCCC[C@@H](C)CC(C)=O Amb27589814 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.4 CCCC[C@H](C)CC(C)=O Amb28253626 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.4 CCCC[C@H](C)NC(C)=O Amb27173638 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.4 CCOCC(C)OC(=O)Cl Amb26020310 [1,0,0,0,0,0|1,0,1]=3 47 B9R0.4 CCOCC(C)OC(C)=O Amb22732225 [1,0,0,0,0,0|0,0,1]=2 48 B9R0.4 CCSCC(Cl)OC(C)=O Amb17940617 [1,0,0,0,0,0|1,1,1]=4 49 B9R0.4 COCCC(C)OC(=O)Cl Amb32656123 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.4 CSCCC(C)NC(C)=O Amb27868995 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.4 C[C@@H](CCC=O)CC(=O)O Amb27614920 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.48 C=C(COC(C)=O)OCC Amb28050232 [1,0,0,0,0,0|0,0,3]=4 53 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.48 CC(=O)CC\C(C)=C/C=O Amb27643630 [1,0,0,0,0,0|2,0,1]=4 56 B9R0.48 CC(=O)CC\C(C)=C\C=O Amb27818040 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.48 CC(=O)OCC(C)CC=O Amb18644137 [1,0,0,0,0,0|1,0,0]=2 58 B9R0.48 CC(=O)OC[C@H](C)CCO Amb27753095 [1,0,0,0,0,0|1,0,2]=4 59 B9R0.48 CC(=O)OC\C(C)=C\C=O Amb28385065 [1,0,0,0,0,0|1,0,1]=3 60 B9R0.48 CC(C)=CCC(C)CC=O Amb18643637 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.48 CC(O)CCC(C)OC=O Amb27614301 [1,0,0,0,0,0|1,0,2]=4 63 B9R0.48 CCCC(C)CCC(C)=O Amb10807385 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.48 CCCC(C)COC(C)=O Amb22735194 [1,0,0,0,0,0|1,0,1]=3 65 B9R0.48 CCCC(O)COC(C)=O Amb27945320 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.48 CCN[C@@H](C)CNC(C)=O Amb28137826 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.48 CCN[C@H](C)CNC(C)=O Amb27267319 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.48 CCOC(C)CCC(=O)O Amb24690847 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.48 CCOC(C)CCC(C)=O Amb27859467 [1,0,0,0,0,0|1,0,1]=3 70 B9R0.48 CCOC(C)CNC(C)=O Amb27174342 [1,0,0,0,0,0|1,0,1]=3 71 B9R0.48 CCOC(C)COC(C)=O Amb25959518 [1,0,0,0,0,0|0,0,1]=2 72 B9R0.48 CCOC(C)\C=C\C(C)=O Amb33424994 [1,0,0,0,0,0|1,0,2]=4 73 B9R0.48 C\C=C/C(C)\C=C\C(C)=O Amb27434173 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.48 C\C=C/[C@@H](O)CCC(C)=O Amb25146706 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.48 C\C=C\C(C)CNC(N)=O Amb22365219 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.48 C\C=C\C(O)CCC(C)=O Amb25142677 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.48 C\C=C\C(O)CNC(C)=O Amb24480779 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.55 C=C(F)CCCOC(C)=O Amb22641472 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.55 CC(=O)C#CCOC(C)=O Amb27615142 [1,0,0,0,0,0|1,0,1]=3 80 B9R0.55 CC(=O)CCCC=C(C)C Amb28053965 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [1,0,0,0,0,0|2,0,0]=3 83 B9R0.55 CC(=O)CCCCS(C)=O Amb27412643 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.55 CC(=O)CCCNC(C)=O Amb28194645 [1,0,0,0,0,0|2,0,0]=3 85 B9R0.55 CC(=O)CCCNS(C)=O Amb27774835 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.55 CC(=O)CCCOC(C)=O Amb1033031 [1,0,0,0,0,0|1,0,0]=2 87 B9R0.55 CC(=O)CCCOC(C)C Amb9659686 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.55 CC(=O)NCCCS(C)=O Amb27786571 [1,0,0,0,0,0|3,0,0]=4 90 B9R0.55 CC(=O)NCCNC(C)=O Amb2522644 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.55 CC(=O)NCCOC(C)=O Amb2781669 [1,0,0,0,0,0|1,0,0]=2 92 B9R0.55 CC(=O)OCC#CC(=O)O Amb28411497 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.55 CC(=O)OCCC=C(F)F Amb21954269 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.55 CC(=O)OCCCC(C)Br Amb27643403 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.55 CC(=O)OCCCC(C)Cl Amb27645429 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.55 CC(=O)OCCCS(=O)Cl Amb32720405 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.55 CC(=O)OCCCS(=O)[O-] Amb32754824 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.55 CC(=O)OCCCS(N)=O Amb32720406 [1,0,0,0,0,0|3,0,0]=4 100 B9R0.55 CC(=O)OCCC[C@@H](C)O Amb27775430 [1,0,0,0,0,0|1,0,2]=4 101 B9R0.55 CC(=O)OCCNC(C)C Amb28344226 [1,0,0,0,0,0|2,0,1]=4 102 B9R0.55 CC(=O)OCCOC(=N)N Amb27768866 [1,0,0,0,0,0|2,0,0]=3 103 B9R0.55 CC(=O)OCCOC(C)=O Amb8513772 [1,0,0,0,0,0|0,0,0]=1 104 B9R0.55 CC(=O)OCCOC(C)C Amb25662885 [1,0,0,0,0,0|1,0,1]=3 105 B9R0.55 CC(=O)OCCOC(C)Cl Amb27433920 [1,0,0,0,0,0|1,0,1]=3 106 B9R0.55 CC(=O)OCCOC(N)=O Amb27168669 [1,0,0,0,0,0|1,0,0]=2 107 B9R0.55 CC(=O)OC\C=C\C(=O)O Amb24454652 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,0,0,0,0,0|2,1,0]=4 109 B9R0.55 CC(C)OCCOC(=O)Cl Amb24465716 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.55 O=C(Cl)OCCOC(=O)Cl Amb22337529 [1,0,0,0,0,0|2,0,0]=3 111 B11R0.93 CCC(=O)O[C@H](C)C#CC(C)=O Amb28386630 [0,1,0,0,0,0|1,0,1]=3 112 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [0,1,0,0,0,0|2,0,0]=3 113 B11R0.107 COC(=O)CCC(C)CC(C)=O Amb32667486 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.143 C=CC(COC(C)=O)OC(C)=O Amb8516565 [0,1,0,0,0,0|0,0,1]=2 115 B11R0.143 CC(=O)NC[C@@H](CCl)OC(C)=O Amb8394729 [0,1,0,0,0,0|1,0,0]=2 116 B11R0.143 CC(=O)NC[C@H](CBr)OC(C)=O Amb10071005 [0,1,0,0,0,0|1,0,0]=2 117 B11R0.143 CC(=O)OCC(CO)OC(C)=O Amb19960032 [0,1,0,0,0,0|0,0,0]=1 118 B11R0.143 CC(=O)OCC(CO)OC(C)=O Amb33987901 [0,1,0,0,0,0|0,0,0]=1 119 B11R0.149 CC(=O)NC(O)C(O)NC(C)=O Amb1033021 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.149 CC(=O)N[C@@H](C)[C@@H](C)NC(C)=O Amb27828098 [0,1,0,0,0,0|2,0,0]=3 121 B11R0.149 CC(=O)N[C@@H](C)[C@H](C)NC(C)=O Amb27828097 [0,1,0,0,0,0|2,0,0]=3 122 B11R0.149 CC(=O)N\C(C)=C(/C)OC(C)=O Amb8631566 [0,1,0,0,0,0|1,0,2]=4 123 B11R0.149 CC(=O)OC(C)C(=O)NC(N)=O Amb27448866 [0,1,0,0,0,0|2,0,1]=4 124 B11R0.149 CC(=O)OC(C)C(C)OC(C)=O Amb22263365 [0,1,0,0,0,0|0,0,0]=1 125 B11R0.232 CC(=O)NCC(C)(C)NC(C)=O Amb27751391 [0,1,0,0,0,0|2,0,0]=3 126 B11R0.232 CC(=O)OCC(C)(C)CC(=O)O Amb28653070 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.20 CC(=N)NC1CCC(=O)NC1 Amb28124170 [0,0,0,1,0,0|3,0,0]=4 128 B11R1.20 CC(=O)NC1CCC(=O)CC1 Amb1162738 [0,0,0,1,0,0|2,0,0]=3 129 B11R1.20 CC(=O)NC1CCC(C)OC1 Amb29860494 [0,0,0,1,0,0|2,0,1]=4 130 B11R1.20 CC(=O)OC1C=CC(=O)CC1 Amb28126635 [0,0,0,1,0,0|1,0,1]=3 131 B11R1.20 CC(=O)OC1C=CC(=O)CO1 Amb22054201 [0,0,0,1,0,0|2,0,1]=4 132 B11R1.20 CC(=O)OC1C=CC(=O)NC1 Amb27176496 [0,0,0,1,0,0|1,0,2]=4 133 B11R1.20 CC(=O)OC1CCC(=O)CC1 Amb8391813 [0,0,0,1,0,0|1,0,0]=2 134 B11R1.20 CC(=O)OC1CCC(C)CC1 Amb28341732 [0,0,0,1,0,0|2,0,1]=4 135 B11R1.20 CC(=O)OC1CCC(F)CC1 Amb25946966 [0,0,0,1,0,0|2,0,1]=4 136 B11R1.20 CC(=O)OC1CCC(O)CC1 Amb4004946 [0,0,0,1,0,0|1,0,2]=4 137 B11R1.20 CC(=O)OC1CCN(C)CC1 Amb24059411 [0,0,0,1,0,0|3,0,0]=4 138 B11R1.20 CC(=O)O[C@H]1C=CC(=O)CO1 Amb27599664 [0,0,0,1,0,0|2,0,1]=4 139 B11R1.20 CC(=O)O[C@H]1CC[C@H](N)CC1 Amb27205242 [0,0,0,1,0,0|2,0,1]=4 140 B11R1.20 CC(=O)SC1CCC(=O)CC1 Amb26449704 [0,0,0,1,0,0|1,1,0]=3 141 B11R1.20 CC(C)OC1CCC(=O)CC1 Amb20075889 [0,0,0,1,0,0|2,0,1]=4 142 B11R1.20 CS(=O)NC1CCC(=O)NC1 Amb28324224 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.20 NC(=O)CC1CCC(=O)CC1 Amb28048062 [0,0,0,1,0,0|3,0,0]=4 144 B11R1.20 NC(=O)NC1CCC(=O)CC1 Amb9517811 [0,0,0,1,0,0|3,0,0]=4 145 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,0|3,0,0]=4 146 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,0|3,0,0]=4 147 B11R1.20 O=C1CCC(OC(=O)Cl)CC1 Amb33296969 [0,0,0,1,0,0|2,0,0]=3 148 B11R1.74 C=C(C)C1CC(=O)OC(O)C1 Amb27857569 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.74 CC(=O)C1=CC(C)OC(C)=C1 Amb24379281 [0,0,0,1,0,0|2,0,1]=4 150 B11R1.74 CC(=O)C1CC(=O)CC(C)C1 Amb25937018 [0,0,0,1,0,0|2,0,0]=3 151 B11R1.74 CC(=O)C1CC(C)=CC(C)C1 Amb26020975 [0,0,0,1,0,0|3,0,0]=4 152 B11R1.74 CC(=O)N1CC(=O)NC(C)C1 Amb27803011 [0,0,0,1,0,0|2,0,0]=3 153 B11R1.74 CC(=O)N1CC(=O)OC(=O)C1 Amb19663798 [0,0,0,1,0,0|2,0,1]=4 154 B11R1.74 CC(=O)N1CC(C)=CC(C)C1 Amb27808750 [0,0,0,1,0,0|3,0,0]=4 155 B11R1.74 CC(=O)N1CC(C)OC(C)C1 Amb3886616 [0,0,0,1,0,0|2,0,1]=4 156 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Amb27628365 [0,0,0,1,0,0|3,0,0]=4 157 B11R1.74 CC1CN(C(=O)Cl)CC(=O)N1 Amb28285586 [0,0,0,1,0,0|3,0,0]=4 158 B11R1.75 CC(=O)CCC1CCC(=O)C1 Amb25984891 [0,0,0,1,0,0|2,0,0]=3 159 B11R1.75 CC(=O)CCC1CCC(=O)N1 Amb27438091 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.75 CC(=O)CCC1CCC(=O)O1 Amb27750716 [0,0,0,1,0,0|1,0,0]=2 161 B11R1.75 CC(=O)CCC1CC[C@@H](C)O1 Amb32730566 [0,0,0,1,0,0|2,0,1]=4 162 B11R1.75 CC(=O)CSC1COC(=O)O1 Amb27840334 [0,0,0,1,0,0|3,0,0]=4 163 B11R1.75 CC(=O)NCC1CNC(=O)O1 Amb26630198 [0,0,0,1,0,0|2,0,0]=3 164 B11R1.75 CC(=O)NC[C@H]1CNC(=O)O1 Amb24484739 [0,0,0,1,0,0|2,0,0]=3 165 B11R1.75 CC(=O)OCC1CCC(=O)C1 Amb25821465 [0,0,0,1,0,0|1,0,0]=2 166 B11R1.75 CC(=O)OCC1CCC(=O)N1 Amb24486136 [0,0,0,1,0,0|1,0,0]=2 167 B11R1.75 CC(=O)OCC1CCC(Br)O1 Amb25840474 [0,0,0,1,0,0|1,0,1]=3 168 B11R1.75 CC(=O)OCC1CCC(C)O1 Amb25877264 [0,0,0,1,0,0|1,0,1]=3 169 B11R1.75 CC(=O)OCC1CCC(Cl)O1 Amb25251151 [0,0,0,1,0,0|1,0,1]=3 170 B11R1.75 CC(=O)OCC1CCC(O)O1 Amb27980422 [0,0,0,1,0,0|0,0,2]=3 171 B11R1.75 CC(=O)OCC1CNC(=O)C1 Amb28436007 [0,0,0,1,0,0|2,0,0]=3 172 B11R1.75 CC(=O)OCC1CNC(=O)O1 Amb28122349 [0,0,0,1,0,0|1,0,0]=2 173 B11R1.75 CC(=O)OCC1COC(=O)N1 Amb27411851 [0,0,0,1,0,0|2,0,0]=3 174 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)C1 Amb27749663 [0,0,0,1,0,0|1,0,0]=2 175 B11R1.75 CC(=O)OCc1ncc(C)o1 Amb22284643 [0,0,0,1,0,0|2,0,1]=4 176 B11R1.75 CC(=O)OCc1nnc(C)o1 Amb13952452 [0,0,0,1,0,0|2,0,1]=4 177 B11R1.75 CC(=O)SCC1CNC(=O)O1 Amb27831473 [0,0,0,1,0,0|1,1,0]=3 178 B11R1.75 CC(C)OCC1CNC(=O)O1 Amb677612 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.75 CC(C)OC[C@H]1CNC(=O)O1 Amb28136276 [0,0,0,1,0,0|2,0,1]=4 180 B11R1.75 CC(O)CCC1CCC(=O)O1 Amb27484707 [0,0,0,1,0,0|1,0,2]=4 181 B11R1.75 NC(=O)NCC1CCC(=O)N1 Amb27964426 [0,0,0,1,0,0|3,0,0]=4 182 B11R1.75 NC(=O)OCC1COC(=O)O1 Amb28121041 [0,0,0,1,0,0|2,0,0]=3 183 B11R1.75 O=C(Cl)OCC1COS(=O)O1 Amb33297256 [0,0,0,1,0,0|3,0,0]=4 184 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [0,0,0,1,0,0|3,0,0]=4 185 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,0|2,0,0]=3 186 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [0,0,0,1,0,0|3,0,0]=4 187 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [0,0,0,1,0,0|3,0,0]=4 188 B11R1.167 CC(=O)C1CC(=O)CCC1C Amb27199692 [0,0,0,1,0,0|2,0,0]=3 189 B11R1.167 CC(=O)[C@@H]1CC(=O)CC[C@H]1C Amb27768027 [0,0,0,1,0,0|2,0,0]=3 190 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,0,0,1,0,0|3,0,0]=4 191 B11R1.167 CC1CCC(=O)CC1C(N)=O Amb32865390 [0,0,0,1,0,0|3,0,0]=4 192 B11R1.167 CC1CNC(=O)CC1C(=O)O Amb33099388 [0,0,0,1,0,0|3,0,0]=4 193 B11R1.645 CC(=O)C[C@@H]1CC(=O)C=C1C Amb25143940 [0,0,0,1,0,0|2,0,1]=4 194 B11R1.645 CC(=O)NC1CC(=O)OC1=O Amb19664157 [0,0,0,1,0,0|2,0,1]=4 195 B11R1.645 CC(=O)N[C@H]1CC(=O)NC1O Amb27176484 [0,0,0,1,0,0|3,0,0]=4 196 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O Amb22737462 [0,0,0,1,0,0|2,0,1]=4 197 B11R1.645 CC(=O)OC1CC(=O)CC1=O Amb27589817 [0,0,0,1,0,0|2,0,1]=4 198 B11R1.645 CC(=O)OC1CC(=O)NC1O Amb27950888 [0,0,0,1,0,0|2,0,0]=3 199 B11R1.645 CC(=O)OC1CC(=O)OC1=O Amb17607597 [0,0,0,1,0,0|1,0,1]=3 200 B11R1.645 CC(=O)O[C@@H]1CC(=O)OC1=O Amb8629490 [0,0,0,1,0,0|1,0,1]=3 201 B11R1.645 CC(=O)O[C@@H]1CS(=O)C[C@@H]1O Amb27432277 [0,0,0,1,0,0|3,0,0]=4 202 B11R1.645 CC(=O)O[C@H]1CC(=O)NC1=O Amb27212801 [0,0,0,1,0,0|2,0,1]=4 203 B11R1.645 CC(=O)O[C@H]1CC(=O)NC1O Amb27455009 [0,0,0,1,0,0|2,0,0]=3 204 B11R1.645 CC(=O)O[C@H]1CC(O)O[C@@H]1C Amb27422284 [0,0,0,1,0,0|0,0,2]=3 205 B11R1.645 CC(=O)SC1CC(=O)OC1=O Amb4007259 [0,0,0,1,0,0|1,1,1]=4 206 B11R1.645 CC(=O)S[C@@H]1CC(=O)OC1=O Amb32409710 [0,0,0,1,0,0|1,1,1]=4 207 B11R1.645 CC(=O)S[C@H]1CC(=O)OC1=O Amb25103817 [0,0,0,1,0,0|1,1,1]=4 208 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18830651 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.650 CC1CCC(=O)CCC(=O)O1 Amb27828835 [0,0,0,1,0,0|1,0,0]=2 210 B11R1.710 CC(=O)OC1CCS(=O)(=O)C1 Amb752315 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.711 CC(=O)C1CC1CCC(=O)O Amb27990217 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.711 CC(=O)OC[C@@H]1C[C@H]1C(=O)O Amb26659372 [0,0,0,1,0,0|2,0,0]=3 218 B11R1.711 CC(=O)OC[C@@H]1O[C@H]1C(N)=O Amb24764629 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.743 CC(=O)N1CC(CC(N)=O)C1 Amb27840389 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.743 CC(=O)NC1CC(C(=O)O)C1 Amb23441142 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.743 CC(=O)NC1CN(C(C)=O)C1 Amb27809917 [0,0,0,1,0,0|2,0,0]=3 223 B11R1.743 CC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887511 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.743 CC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35585911 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.743 CC(=O)OC1CN(C(=O)Cl)C1 Amb33482817 [0,0,0,1,0,0|2,0,0]=3 226 B11R1.743 CC(=O)OC1CN(C(C)=O)C1 Amb22496267 [0,0,0,1,0,0|1,0,0]=2 227 B11R1.1039 CC1CC(C)(OC(N)=O)CO1 Amb26549446 [0,0,0,1,0,0|2,0,1]=4 228 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [0,0,0,0,1,0|3,0,0]=4 229 B9R0.7 C=C(C)C(C)\C=C\C(C)=O Amb26010606 [0,0,0,0,1,0|2,0,1]=4 230 B9R0.7 C=C(C)C(Cl)COC(C)=O Amb28137880 [0,0,0,0,1,0|2,0,0]=3 231 B9R0.7 C=C(C)C(O)COC(C)=O Amb27170291 [0,0,0,0,1,0|2,0,0]=3 232 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [0,0,0,0,1,0|3,0,0]=4 233 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [0,0,0,0,1,0|2,0,0]=3 234 B9R0.7 C=C(C)COC(C)C(C)=O Amb27476278 [0,0,0,0,1,0|3,0,0]=4 235 B9R0.7 C=C(C)CSC(C)C(C)=O Amb28381627 [0,0,0,0,1,0|3,0,0]=4 236 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [0,0,0,0,1,0|2,0,0]=3 237 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [0,0,0,0,1,0|1,0,2]=4 238 B9R0.7 C=C(COC(C)=O)C(C)=O Amb25359020 [0,0,0,0,1,0|0,0,2]=3 239 B9R0.7 CC(=N)NCC(C)S(C)=O Amb27637575 [0,0,0,0,1,0|3,0,0]=4 240 B9R0.7 CC(=O)C(Br)CC=C(C)C Amb27614912 [0,0,0,0,1,0|3,0,0]=4 241 B9R0.7 CC(=O)C(C)CC=C(Cl)Cl Amb35704014 [0,0,0,0,1,0|3,0,0]=4 242 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [0,0,0,0,1,0|2,0,0]=3 243 B9R0.7 CC(=O)C(C)CCC(C)O Amb27823560 [0,0,0,0,1,0|1,0,2]=4 244 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,1,0|2,0,0]=3 245 B9R0.7 CC(=O)C(C)CCN(C)C Amb27470904 [0,0,0,0,1,0|3,0,0]=4 246 B9R0.7 CC(=O)C(C)CCS(C)=O Amb27783563 [0,0,0,0,1,0|2,0,0]=3 247 B9R0.7 CC(=O)C(C)CNC(=S)S Amb27439330 [0,0,0,0,1,0|2,1,0]=4 248 B9R0.7 CC(=O)C(C)CNN(C)C Amb28049906 [0,0,0,0,1,0|3,0,0]=4 249 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [0,0,0,0,1,0|3,0,0]=4 250 B9R0.7 CC(=O)C(F)CC=C(C)C Amb27599420 [0,0,0,0,1,0|3,0,0]=4 251 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [0,0,0,0,1,0|3,0,0]=4 252 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [0,0,0,0,1,0|3,0,0]=4 253 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [0,0,0,0,1,0|3,0,0]=4 254 B9R0.7 CC(=O)C(O)COC(C)C Amb28201134 [0,0,0,0,1,0|2,0,1]=4 255 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,1,0|2,0,1]=4 256 B9R0.7 CC(=O)CCC(C)=C(C)C Amb27799949 [0,0,0,0,1,0|2,0,1]=4 257 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [0,0,0,0,1,0|1,0,2]=4 258 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [0,0,0,0,1,0|2,0,0]=3 259 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,1,0|3,0,0]=4 260 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,1,0|3,0,0]=4 261 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [0,0,0,0,1,0|3,0,0]=4 262 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [0,0,0,0,1,0|1,0,2]=4 263 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,1,0|3,0,0]=4 264 B9R0.7 CC(=O)CC[C@H](C)C(C)C Amb27860337 [0,0,0,0,1,0|2,0,1]=4 265 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [0,0,0,0,1,0|1,0,2]=4 266 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,1,0|3,0,0]=4 267 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [0,0,0,0,1,0|3,0,0]=4 268 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [0,0,0,0,1,0|3,0,0]=4 269 B9R0.7 CC(=O)C\C=C(/C)C(C)=O Amb27264520 [0,0,0,0,1,0|1,0,2]=4 270 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [0,0,0,0,1,0|3,0,0]=4 271 B9R0.7 CC(=O)NCC(C)=C(C)C Amb28282658 [0,0,0,0,1,0|2,0,1]=4 272 B9R0.7 CC(=O)NCC(C)S(C)=O Amb28137643 [0,0,0,0,1,0|2,0,0]=3 273 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,1,0|3,0,0]=4 274 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [0,0,0,0,1,0|2,0,0]=3 275 B9R0.7 CC(=O)NOC(C)C(N)=O Amb28206966 [0,0,0,0,1,0|3,0,0]=4 276 B9R0.7 CC(=O)OCC(=O)C(C)=O Amb25094676 [0,0,0,0,1,0|1,0,1]=3 277 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [0,0,0,0,1,0|1,0,0]=2 278 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [0,0,0,0,1,0|0,0,0]=1 279 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [0,0,0,0,1,0|2,0,0]=3 280 B9R0.7 CC(=O)OCC(N)C(C)C Amb27604557 [0,0,0,0,1,0|2,0,1]=4 281 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [0,0,0,0,1,0|2,0,0]=3 282 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [0,0,0,0,1,0|2,0,0]=3 283 B9R0.7 CC(=O)OC[C@H](Br)C(C)C Amb28186618 [0,0,0,0,1,0|2,0,1]=4 284 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [0,0,0,0,1,0|1,0,0]=2 285 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [0,0,0,0,1,0|0,0,0]=1 286 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [0,0,0,0,1,0|2,0,0]=3 287 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [0,0,0,0,1,0|2,0,0]=3 288 B9R0.7 CC(=O)OC[C@H](N)C(C)C Amb28401299 [0,0,0,0,1,0|2,0,1]=4 289 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [0,0,0,0,1,0|2,0,0]=3 290 B9R0.7 CC(=O)O\C=C(\C)C(C)=O Amb25961809 [0,0,0,0,1,0|0,0,2]=3 291 B9R0.7 CC(=O)O\N=C(/C)C(=O)O Amb27473311 [0,0,0,0,1,0|2,0,1]=4 292 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [0,0,0,0,1,0|1,1,0]=3 293 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,1,0|1,1,0]=3 294 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [0,0,0,0,1,0|2,1,0]=4 295 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [0,0,0,0,1,0|2,1,0]=4 296 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [0,0,0,0,1,0|2,1,0]=4 297 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [0,0,0,0,1,0|1,1,0]=3 298 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [0,0,0,0,1,0|1,1,0]=3 299 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,1,0|1,1,0]=3 300 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [0,0,0,0,1,0|2,0,0]=3 301 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [0,0,0,0,1,0|3,0,0]=4 302 B9R0.7 CC(C)C(C)COC(N)=O Amb27174302 [0,0,0,0,1,0|2,0,1]=4 303 B9R0.7 CC(C)OCC(C)C(=O)O Amb26037515 [0,0,0,0,1,0|2,0,1]=4 304 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [0,0,0,0,1,0|3,0,0]=4 305 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [0,0,0,0,1,0|3,0,0]=4 306 B9R0.7 CC(CNC(=O)Cl)S(C)=O Amb35633595 [0,0,0,0,1,0|3,0,0]=4 307 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,1,0|3,0,0]=4 308 B9R0.7 CC(CNC(N)=O)S(C)=O Amb27765013 [0,0,0,0,1,0|3,0,0]=4 309 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [0,0,0,0,1,0|3,0,0]=4 310 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,1,0|3,0,0]=4 311 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [0,0,0,0,1,0|3,0,0]=4 312 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,1,0|3,0,0]=4 313 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,1,0|3,0,0]=4 314 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,1,0|3,0,0]=4 315 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [0,0,0,0,1,0|2,0,0]=3 316 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [0,0,0,0,1,0|2,0,1]=4 317 B9R0.53 CC(=O)CC(=O)NC(C)=O Amb2410281 [0,0,0,0,1,0|2,0,1]=4 318 B9R0.53 CC(=O)CC(=O)OC(C)=O Amb28460740 [0,0,0,0,1,0|1,0,1]=3 319 B9R0.53 CC(=O)CC(C)CC(C)C Amb20621119 [0,0,0,0,1,0|2,0,1]=4 320 B9R0.53 CC(=O)CC(C)CN(C)C Amb28252208 [0,0,0,0,1,0|3,0,0]=4 321 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [0,0,0,0,1,0|1,0,0]=2 322 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [0,0,0,0,1,0|2,0,0]=3 323 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [0,0,0,0,1,0|0,0,0]=1 324 B9R0.53 CC(=O)C\C(C)=N\C(N)=O Amb27802503 [0,0,0,0,1,0|2,0,1]=4 325 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [0,0,0,0,1,0|2,0,0]=3 326 B9R0.53 CC(=O)NC(C)CC(C)Br Amb28255391 [0,0,0,0,1,0|2,0,1]=4 327 B9R0.53 CC(=O)NC(C)CC(C)Cl Amb27851051 [0,0,0,0,1,0|2,0,1]=4 328 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [0,0,0,0,1,0|2,0,0]=3 329 B9R0.53 CC(=O)NC(C)CC(N)=S Amb18800429 [0,0,0,0,1,0|2,1,0]=4 330 B9R0.53 CC(=O)NC(C)CS(C)=O Amb27243706 [0,0,0,0,1,0|2,0,0]=3 331 B9R0.53 CC(=O)NC(C)NC(C)=O Amb4035096 [0,0,0,0,1,0|2,0,0]=3 332 B9R0.53 CC(=O)NC(C)OC(C)C Amb22729317 [0,0,0,0,1,0|2,0,1]=4 333 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [0,0,0,0,1,0|3,0,0]=4 334 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [0,0,0,0,1,0|2,0,0]=3 335 B9R0.53 CC(=O)N[C@H](C)CN(C)C Amb27198150 [0,0,0,0,1,0|3,0,0]=4 336 B9R0.53 CC(=O)OC(C)CC(C)Br Amb27257886 [0,0,0,0,1,0|1,0,1]=3 337 B9R0.53 CC(=O)OC(C)CC(C)C Amb22733405 [0,0,0,0,1,0|1,0,1]=3 338 B9R0.53 CC(=O)OC(C)CC(C)Cl Amb28119662 [0,0,0,0,1,0|1,0,1]=3 339 B9R0.53 CC(=O)OC(C)CN(C)C Amb4020548 [0,0,0,0,1,0|2,0,0]=3 340 B9R0.53 CC(=O)OC(C)C[N+](=O)[O-] Amb28050522 [0,0,0,0,1,0|2,0,0]=3 341 B9R0.53 CC(=O)OC(C)OC(C)=O Amb8516628 [0,0,0,0,1,0|0,0,0]=1 342 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [0,0,0,0,1,0|1,0,0]=2 343 B9R0.53 CC(=O)O[C@H](C)C[C@@H](C)Cl Amb27945614 [0,0,0,0,1,0|1,0,1]=3 344 B9R0.53 CC(=O)O[C@H](C)C[C@H](C)Cl Amb27433810 [0,0,0,0,1,0|1,0,1]=3 345 B9R0.53 CC(=O)O\C(C)=C/C(N)=O Amb27860203 [0,0,0,0,1,0|1,0,2]=4 346 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [0,0,0,0,1,0|1,1,0]=3 347 B9R0.53 CC(=O)[CH-]C(=O)CC(C)=O Amb28182517 [0,0,0,0,1,0|2,0,1]=4 348 B9R0.53 CC(=O)\C=C(/C)CC(C)=O Amb24647875 [0,0,0,0,1,0|1,0,1]=3 349 B9R0.53 CC(=O)\C=C(/C)OC(C)=O Amb24706701 [0,0,0,0,1,0|0,0,2]=3 350 B9R0.53 CC(=O)\C=C(/O)CC(C)=O Amb27945526 [0,0,0,0,1,0|2,0,1]=4 351 B9R0.53 CC(=O)\C=C(\C)CC(C)=O Amb25719264 [0,0,0,0,1,0|1,0,1]=3 352 B9R0.53 CC(C)CC(C)OC(=O)Cl Amb33531475 [0,0,0,0,1,0|2,0,1]=4 353 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [0,0,0,0,1,0|3,0,0]=4 354 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [0,0,0,0,1,0|3,0,0]=4 355 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [0,0,0,0,1,0|3,0,0]=4 356 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [0,0,0,0,1,0|3,0,0]=4 357 B9R0.53 CC(CN(C)C)OC(N)=O Amb28383868 [0,0,0,0,1,0|3,0,0]=4 358 B9R0.53 CC(CS(C)=O)NC(=O)Cl Amb35633551 [0,0,0,0,1,0|3,0,0]=4 359 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [0,0,0,0,1,0|3,0,0]=4 360 B9R0.53 C[C@H](CN(C)C)OC(N)=O Amb27475764 [0,0,0,0,1,0|3,0,0]=4 361 B11R0.6 CC(=O)NC(=O)NCOC(C)=O Amb27268469 [0,0,0,0,0,1|2,0,1]=4 362 B11R0.6 CC(=O)OCCC(C)OC(C)=O Amb4016478 [0,0,0,0,0,1|0,0,0]=1 363 B11R0.85 C=C(COC(C)=O)COC(C)=O Amb22756875 [0,0,0,0,0,1|0,0,2]=3 364 B11R0.85 CC(=O)OCC(=O)COC(C)=O Amb21953388 [0,0,0,0,0,1|1,0,1]=3 365 B11R0.85 CC(=O)OCC(O)COC(C)=O Amb10807490 [0,0,0,0,0,1|1,0,0]=2 366 B8R0.1 C=COCC(C)OC=C Amb27967484 [2,0,0,0,0,0|0,0,2]=4 367 B8R0.1 CC(CCC=O)NC=O Amb17593357 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.1 CC(COC=O)OC=O Amb2720871 [2,0,0,0,0,0|0,0,0]=2 369 B8R0.1 CCCC(C)COC=O Amb24325312 [2,0,0,0,0,0|1,0,1]=4 370 B8R0.1 CCOC(C)CCC=O Amb33424979 [2,0,0,0,0,0|1,0,1]=4 371 B8R0.1 CCOC(C)CNC=O Amb27637475 [2,0,0,0,0,0|1,0,1]=4 372 B8R0.1 CCOCC(C)OCC Amb22227707 [2,0,0,0,0,0|0,0,2]=4 373 B8R0.1 C[C@H](CC=O)CCC=O Amb28461250 [2,0,0,0,0,0|2,0,0]=4 374 B8R0.1 C\C=C\C(C)CCC=O Amb26951561 [2,0,0,0,0,0|2,0,0]=4 375 B8R0.1 C\C=C\[C@@H](C)CCC=O Amb28382111 [2,0,0,0,0,0|2,0,0]=4 376 B8R0.5 C=CCC(C)CC(C)=O Amb17593320 [2,0,0,0,0,0|1,0,1]=4 377 B8R0.5 C=CCC(C)NC(C)=O Amb28118292 [2,0,0,0,0,0|1,0,1]=4 378 B8R0.5 C=CC[C@@H](C)CC(C)=O Amb27974516 [2,0,0,0,0,0|1,0,1]=4 379 B8R0.5 C=COC(C)CC(C)=O Amb27780768 [2,0,0,0,0,0|1,0,1]=4 380 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [2,0,0,0,0,0|1,0,0]=3 381 B8R0.5 CC(=O)CC(C)NC=O Amb24477804 [2,0,0,0,0,0|2,0,0]=4 382 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [2,0,0,0,0,0|1,0,0]=3 383 B8R0.5 CC(=O)NC(C)CON Amb17138376 [2,0,0,0,0,0|2,0,0]=4 384 B8R0.5 CC(=O)OC(C)CC=O Amb18642743 [2,0,0,0,0,0|0,0,0]=2 385 B8R0.5 CC(=O)OC(C)CCCl Amb27801962 [2,0,0,0,0,0|1,0,1]=4 386 B8R0.5 CC(=O)SC(C)CC=O Amb27797287 [2,0,0,0,0,0|0,1,0]=3 387 B8R0.5 CC(=S)NC(C)CC=O Amb28368255 [2,0,0,0,0,0|1,1,0]=4 388 B8R0.5 CC(C)OC(C)CC=O Amb27390195 [2,0,0,0,0,0|1,0,1]=4 389 B8R0.5 CC(CC=O)NC(N)=O Amb27881145 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.5 CC(O)OC(C)CC=O Amb27827462 [2,0,0,0,0,0|0,0,2]=4 391 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [2,0,0,0,0,0|1,0,1]=4 392 B8R0.5 CCCC(C)OC(=O)Cl Amb27205395 [2,0,0,0,0,0|1,0,1]=4 393 B8R0.5 CCCC(C)OC(C)=O Amb22732559 [2,0,0,0,0,0|0,0,1]=3 394 B8R0.5 CCCC(C)OC(N)=O Amb27150798 [2,0,0,0,0,0|1,0,1]=4 395 B8R0.5 CCCC(Cl)OC(C)=O Amb27490997 [2,0,0,0,0,0|1,0,1]=4 396 B8R0.5 CCC[C@H](C)NC(C)=O Amb27655527 [2,0,0,0,0,0|1,0,1]=4 397 B8R0.5 CCOC(C)CC(C)=O Amb25291783 [2,0,0,0,0,0|1,0,1]=4 398 B8R0.5 CCOC(C)OC(C)=O Amb17689197 [2,0,0,0,0,0|0,0,1]=3 399 B8R0.5 CCOC(Cl)OC(C)=O Amb28145161 [2,0,0,0,0,0|1,0,1]=4 400 B8R0.5 CCO[C@@H](C)CC(C)=O Amb27424691 [2,0,0,0,0,0|1,0,1]=4 401 B8R0.5 CNCC(C)OC(N)=O Amb28078033 [2,0,0,0,0,0|2,0,0]=4 402 B8R0.5 COCC(C)CC(=O)O Amb19024342 [2,0,0,0,0,0|2,0,0]=4 403 B8R0.5 COCC(C)CC(C)=O Amb27464321 [2,0,0,0,0,0|1,0,0]=3 404 B8R0.5 COCC(C)CC(N)=O Amb27860801 [2,0,0,0,0,0|2,0,0]=4 405 B8R0.5 COCC(C)NC(=O)Cl Amb35637106 [2,0,0,0,0,0|2,0,0]=4 406 B8R0.5 COCC(C)NC(C)=N Amb28049795 [2,0,0,0,0,0|2,0,0]=4 407 B8R0.5 COCC(C)NC(N)=O Amb405922 [2,0,0,0,0,0|2,0,0]=4 408 B8R0.5 COCC(C)OC(=O)Cl Amb27395128 [2,0,0,0,0,0|1,0,0]=3 409 B8R0.5 COCC(C)OC(C)=O Amb8516695 [2,0,0,0,0,0|0,0,0]=2 410 B8R0.5 COCC(C)OC(N)=O Amb24645730 [2,0,0,0,0,0|1,0,0]=3 411 B8R0.5 COC[C@@H](C)OC(C)=O Amb27460270 [2,0,0,0,0,0|0,0,0]=2 412 B8R0.5 COC\C(C)=C\C(C)=O Amb28323854 [2,0,0,0,0,0|1,0,1]=4 413 B8R0.5 CSCC(C)OC(C)=O Amb24450062 [2,0,0,0,0,0|0,1,0]=3 414 B8R0.5 C\C=C\C(C)NC(C)=O Amb27405355 [2,0,0,0,0,0|1,0,1]=4 415 B8R0.5 C\C=C\[C@@H](C)CC(C)=O Amb27598952 [2,0,0,0,0,0|1,0,1]=4 416 B8R0.5 C\C=C\[C@H](C)CC(C)=O Amb28246522 [2,0,0,0,0,0|1,0,1]=4 417 B8R0.7 C=CCCCOC(C)=O Amb6366589 [2,0,0,0,0,0|1,0,1]=4 418 B8R0.7 C=COCCSC(C)=O Amb35788457 [2,0,0,0,0,0|0,1,1]=4 419 B8R0.7 CC(=O)CCCOC=O Amb1033032 [2,0,0,0,0,0|1,0,0]=3 420 B8R0.7 CC(=O)OCC#CC=O Amb28401397 [2,0,0,0,0,0|1,0,1]=4 421 B8R0.7 CC(=O)OCCN=C=O Amb25779227 [2,0,0,0,0,0|1,0,1]=4 422 B8R0.7 CC(=O)OCCNC=O Amb27212825 [2,0,0,0,0,0|1,0,0]=3 423 B8R0.7 CC(=O)OCCOCBr Amb8395197 [2,0,0,0,0,0|1,0,1]=4 424 B8R0.7 CC(=O)SCCCC=O Amb22524698 [2,0,0,0,0,0|1,1,0]=4 425 B8R0.7 CCOCCOC(=O)Cl Amb22228804 [2,0,0,0,0,0|1,0,1]=4 426 B8R0.7 CCOCCOC(C)=O Amb8383625 [2,0,0,0,0,0|0,0,1]=3 427 B8R0.7 CCOCCOC(N)=O Amb27760038 [2,0,0,0,0,0|1,0,1]=4 428 B8R0.7 COCCCOC(C)=O Amb22732978 [2,0,0,0,0,0|2,0,0]=4 429 B8R0.7 CSCCCOC(C)=O Amb8392861 [2,0,0,0,0,0|2,0,0]=4 430 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [2,0,0,0,0,0|2,0,0]=4 431 B8R0.7 O=COCCCC(=O)O Amb27217713 [2,0,0,0,0,0|2,0,0]=4 432 B8R0.9 C=CC(C)CCC(C)=O Amb26390728 [2,0,0,0,0,0|1,0,1]=4 433 B8R0.9 C=CC(Cl)COC(C)=O Amb27860523 [2,0,0,0,0,0|1,0,1]=4 434 B8R0.9 CC(=O)CCC(C)C=O Amb18642612 [2,0,0,0,0,0|1,0,0]=3 435 B8R0.9 CC(=O)CCN(C)C=O Amb27802453 [2,0,0,0,0,0|2,0,0]=4 436 B8R0.9 CC(=O)NCC(C)C=O Amb27485699 [2,0,0,0,0,0|1,0,0]=3 437 B8R0.9 CC(=O)NCC(C)ON Amb17138377 [2,0,0,0,0,0|2,0,0]=4 438 B8R0.9 CC(=O)OCC(C)CBr Amb22386917 [2,0,0,0,0,0|1,0,1]=4 439 B8R0.9 CC(=O)OCN(C)C=O Amb28285201 [2,0,0,0,0,0|1,0,0]=3 440 B8R0.9 CC(=O)OC[C@H](C)C=O Amb27230590 [2,0,0,0,0,0|0,0,0]=2 441 B8R0.9 CC(=O)OC[C@H](C)CBr Amb28385279 [2,0,0,0,0,0|1,0,1]=4 442 B8R0.9 CC(=O)OC\C(C)=C/Cl Amb27793522 [2,0,0,0,0,0|1,0,1]=4 443 B8R0.9 CC(=O)OC\C(C)=C\Br Amb27803059 [2,0,0,0,0,0|1,0,1]=4 444 B8R0.9 CC(=O)O\C=C(\C)C=O Amb27966540 [2,0,0,0,0,0|0,0,2]=4 445 B8R0.9 CC(=O)SCC(C)C=O Amb27827463 [2,0,0,0,0,0|0,1,0]=3 446 B8R0.9 CC(C)=CCC(C)C=O Amb18642441 [2,0,0,0,0,0|2,0,0]=4 447 B8R0.9 CC(C=O)COC(C)C Amb25939491 [2,0,0,0,0,0|1,0,1]=4 448 B8R0.9 CCC(Br)COC(C)=O Amb26916647 [2,0,0,0,0,0|1,0,1]=4 449 B8R0.9 CCC(C)CCC(C)=O Amb22229980 [2,0,0,0,0,0|1,0,1]=4 450 B8R0.9 CCC(C)CNC(C)=O Amb27643953 [2,0,0,0,0,0|1,0,1]=4 451 B8R0.9 CCC(C)COC(=O)Cl Amb20246588 [2,0,0,0,0,0|1,0,1]=4 452 B8R0.9 CC[C@@H](Br)COC(C)=O Amb28254442 [2,0,0,0,0,0|1,0,1]=4 453 B8R0.9 CC[C@H](C)CCC(C)=O Amb27447760 [2,0,0,0,0,0|1,0,1]=4 454 B8R0.9 CC[C@H](C)COC(C)=O Amb27408010 [2,0,0,0,0,0|0,0,1]=3 455 B8R0.9 COC(=O)COC(C)=O Amb28049254 [2,0,0,0,0,0|1,0,1]=4 456 B8R0.9 COC(C)CCC(=O)O Amb24271104 [2,0,0,0,0,0|2,0,0]=4 457 B8R0.9 COC(C)CCC(C)=O Amb25880180 [2,0,0,0,0,0|1,0,0]=3 458 B8R0.9 COC(C)CNC(=O)Cl Amb35633401 [2,0,0,0,0,0|2,0,0]=4 459 B8R0.9 COC(C)COC(=O)Cl Amb32656121 [2,0,0,0,0,0|1,0,0]=3 460 B8R0.9 COC(C)COC(C)=O Amb22734341 [2,0,0,0,0,0|0,0,0]=2 461 B8R0.9 COC(C)OCC(C)=O Amb24378350 [2,0,0,0,0,0|2,0,0]=4 462 B8R0.9 COC(C)\C=C\C(C)=O Amb27841431 [2,0,0,0,0,0|1,0,1]=4 463 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [2,0,0,0,0,0|2,0,0]=4 464 B8R0.9 CO[C@@H](C)CNC(C)=O Amb35605355 [2,0,0,0,0,0|1,0,0]=3 465 B8R0.9 CO[C@@H](C)CNC(N)=O Amb35641866 [2,0,0,0,0,0|2,0,0]=4 466 B8R0.9 CO[C@H](C)CNC(C)=O Amb30024558 [2,0,0,0,0,0|1,0,0]=3 467 B8R0.9 CO[C@H](C)CNC(N)=O Amb29883111 [2,0,0,0,0,0|2,0,0]=4 468 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [2,0,0,0,0,0|1,0,1]=4 469 B10R0.6 CCCNCC(C)OC(C)=O Amb18265960 [1,1,0,0,0,0|1,0,1]=4 470 B10R0.18 CCOCC(C)NC(=O)NC Amb28387491 [1,1,0,0,0,0|1,0,1]=4 471 B10R0.28 CCOCC(C)OS(C)(=O)=O Amb27193618 [1,1,0,0,0,0|1,0,1]=4 472 B10R0.32 C\C=C\C(=O)C(C)OC(C)=O Amb27673563 [1,1,0,0,0,0|1,0,1]=4 473 B10R0.32 C\C=C\C(=O)[C@H](C)OC(C)=O Amb27673755 [1,1,0,0,0,0|1,0,1]=4 474 B10R0.87 CCCCC(CC)OC(C)=O Amb31291624 [1,1,0,0,0,0|1,0,1]=4 475 B10R0.87 C\C=C\CC(CO)NC(C)=O Amb28326470 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.122 CC(=O)OC(C)(C)CCC=O Amb22266704 [1,1,0,0,0,0|1,0,0]=3 477 B10R0.122 C\C=C/CC(C)(C)CC(C)=O Amb27673856 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.105 CCOC(C)(C)CNC(C)=O Amb27270013 [1,1,0,0,0,0|1,0,1]=4 479 B10R0.108 CCOC(C)CNC(=O)NC Amb28387530 [1,1,0,0,0,0|1,0,1]=4 480 B10R0.109 CC(COS(C)(=O)=O)NC=O Amb27876245 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.55 CC(=O)NCCNC(=O)CCl Amb6891986 [1,1,0,0,0,0|2,0,0]=4 482 B10R0.55 CC(=O)NCCNC(=O)CI Amb27670943 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.55 CC(=O)NCCNC(=O)CS Amb28387078 [1,1,0,0,0,0|2,0,0]=4 484 B10R0.55 CNC(=O)CCCNC(C)=O Amb27673634 [1,1,0,0,0,0|2,0,0]=4 485 B10R0.55 CNC(=O)NCCCC(C)=O Amb27269776 [1,1,0,0,0,0|2,0,0]=4 486 B10R0.55 CNC(=O)NCCNC(C)=O Amb6846176 [1,1,0,0,0,0|2,0,0]=4 487 B10R0.55 CNC(=O)NCCOC(N)=O Amb28387529 [1,1,0,0,0,0|2,0,0]=4 488 B10R0.55 COC(=O)CCCCC(C)=O Amb21858863 [1,1,0,0,0,0|2,0,0]=4 489 B10R0.98 CC(=O)OCCC(Cl)C(C)=O Amb16234124 [1,1,0,0,0,0|1,0,0]=3 490 B10R0.98 CC(=O)OC\C=C(\C)C(C)=O Amb24765386 [1,1,0,0,0,0|1,0,1]=4 491 B10R0.13 C=C(C(C)=O)C(C)OC(C)=O Amb27672410 [0,1,0,0,1,0|0,0,2]=4 492 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,1,0,0,1,0|2,0,0]=4 493 B10R0.13 CC(=O)CC(=O)C(C)C(C)=O Amb27672538 [0,1,0,0,1,0|1,0,1]=4 494 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,1,0,0,1,0|2,0,0]=4 495 B10R0.13 CC(=O)CC(C)C(Cl)C(C)=O Amb27990141 [0,1,0,0,1,0|2,0,0]=4 496 B10R0.13 CC(=O)CN(C)C(C)C(C)=O Amb27672299 [0,1,0,0,1,0|2,0,0]=4 497 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,1,0,0,1,0|2,0,0]=4 498 B10R0.13 CC(=O)OC(C)C(Cl)C(C)=O Amb24764874 [0,1,0,0,1,0|1,0,0]=3 499 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,1,0,0,1,0|2,0,0]=4 500 B10R0.13 CC(=O)OC(C)C(O)C(C)=O Amb27672515 [0,1,0,0,1,0|1,0,0]=3 501 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,1,0,0,1,0|2,0,0]=4 502 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,1,0,0,1,0|2,0,0]=4 503 B10R0.13 CC(=O)O\C(C)=C(/C)C(C)=O Amb17593898 [0,1,0,0,1,0|0,0,2]=4 504 B10R0.43 CC(=O)C(C)(C)CCC(=O)O Amb18126156 [0,1,0,0,1,0|2,0,0]=4 505 B10R0.43 CC(=O)C(C)(O)COC(C)C Amb28080243 [0,1,0,0,1,0|1,0,1]=4 506 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Amb18645019 [0,1,0,0,1,0|2,0,0]=4 507 B10R0.43 CC(=O)CCC(C)(C)C(C)=O Amb27269948 [0,1,0,0,1,0|1,0,0]=3 508 B10R0.43 CC(=O)CCC(C)(N)C(N)=O Amb27989320 [0,1,0,0,1,0|2,0,0]=4 509 B10R0.43 CC(=O)CNC(C)(C)C(C)=O Amb1019527 [0,1,0,0,1,0|2,0,0]=4 510 B10R0.43 CC(=O)NCC(C)(C)C(=O)O Amb33548160 [0,1,0,0,1,0|2,0,0]=4 511 B10R0.43 CC(=O)NCC(C)(O)C(=O)O Amb28044387 [0,1,0,0,1,0|2,0,0]=4 512 B10R0.43 CC(=O)OCC(C)(C)C(=O)O Amb27269198 [0,1,0,0,1,0|1,0,0]=3 513 B10R0.43 CC(=O)SCC(C)(C)C(=O)O Amb27818773 [0,1,0,0,1,0|1,1,0]=4 514 B10R0.43 CC(=O)[C@](C)(O)CC=C(C)C Amb28194627 [0,1,0,0,1,0|2,0,0]=4 515 B10R0.82 CC(=O)[C@H](O)C\C=C(\C)C=O Amb27989749 [0,1,0,0,1,0|2,0,0]=4 516 B10R0.82 CCC(=O)O\N=C(/C)C(C)=O Amb27672657 [0,1,0,0,1,0|1,0,1]=4 517 B10R0.82 CCC(=O)\C=C\C(C)C(C)=O Amb26659868 [0,1,0,0,1,0|1,0,1]=4 518 B10R0.82 CC\C(C)=C\CC(C)C(C)=O Amb27673783 [0,1,0,0,1,0|2,0,0]=4 519 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [0,1,0,0,1,0|2,0,0]=4 520 B10R0.82 CNC(=O)O\N=C(/C)C(C)=O Amb28122423 [0,1,0,0,1,0|1,0,1]=4 521 B10R0.82 COC(=O)NCC(C)S(C)=O Amb28387584 [0,1,0,0,1,0|2,0,0]=4 522 B10R0.84 CC(=O)OCC(=S=O)C(C)=O Amb27672441 [0,1,0,0,1,0|1,0,1]=4 523 B10R0.84 CC\C(=N\OC(C)=O)C(C)=O Amb27672674 [0,1,0,0,1,0|1,0,1]=4 524 B10R0.84 COC(CNC(C)=O)C(=O)O Amb27269110 [0,1,0,0,1,0|2,0,0]=4 525 B10R0.93 CC(=O)C(=O)NC(C)C(C)=O Amb27815210 [0,1,0,0,1,0|2,0,0]=4 526 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,1,0,0,1,0|2,0,0]=4 527 B10R0.93 CC(=O)C(C)CC(C)C(C)=O Amb27672288 [0,1,0,0,1,0|1,0,0]=3 528 B10R0.93 CC(=O)C(C)SC(C)C(C)=O Amb27673607 [0,1,0,0,1,0|2,0,0]=4 529 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,1,0,0,1,0|2,0,0]=4 530 B10R0.31 CC(=O)CC(C)O[Si](C)(C)C Amb27269959 [0,1,0,0,1,0|1,1,0]=4 531 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C Amb9826353 [0,1,0,0,1,0|2,0,0]=4 532 B10R0.31 CC(=O)O[C@@H](C)C[N+](C)(C)C Amb26659920 [0,1,0,0,1,0|2,0,0]=4 533 B10R0.70 C#CC(OC(C)=O)OC(C)=O Amb8393954 [0,1,0,0,1,0|0,0,1]=3 534 B10R0.70 CCC(C=C(C)C)CC(C)=O Amb27672588 [0,1,0,0,1,0|2,0,0]=4 535 B10R0.70 CCC(CC(=O)O)NC(C)=O Amb25384609 [0,1,0,0,1,0|2,0,0]=4 536 B10R0.70 CC[C@H](CC(=O)O)NC(C)=O Amb27272274 [0,1,0,0,1,0|2,0,0]=4 537 B10R0.70 CO\C(=C/C(C)=O)CC(C)=O Amb27672609 [0,1,0,0,1,0|1,0,1]=4 538 B10R0.165 C=C(C)CC(C)(C)CC(C)=O Amb27271689 [0,1,0,0,1,0|2,0,0]=4 539 B10R0.165 C=C(C)CC(C)(O)CC(C)=O Amb27672678 [0,1,0,0,1,0|2,0,0]=4 540 B10R0.165 CC(=O)CC(C)(C)CC(=O)O Amb9782556 [0,1,0,0,1,0|2,0,0]=4 541 B10R0.165 CC(=O)CC(C)(C)CC(C)=O Amb27672532 [0,1,0,0,1,0|1,0,0]=3 542 B10R0.165 CC(=O)CC(C)(C)NC(C)=O Amb9781755 [0,1,0,0,1,0|1,0,0]=3 543 B10R0.165 CC(=O)CC(C)(C)NC(C)=S Amb594213 [0,1,0,0,1,0|1,1,0]=4 544 B10R0.165 CC(=O)CC(C)(C)SC(C)=O Amb27672415 [0,1,0,0,1,0|0,1,0]=3 545 B10R0.165 CC(=O)CP(C)(=O)CC(C)=O Amb27672592 [0,1,0,0,1,0|2,0,0]=4 546 B10R0.165 CC(=O)NC(C)(C)CC(=O)O Amb22360340 [0,1,0,0,1,0|2,0,0]=4 547 B10R0.165 CC(=O)OC(C)(C)CN(C)C Amb28080526 [0,1,0,0,1,0|2,0,0]=4 548 B10R0.165 CC(=O)OS(=O)(=O)OC(C)=O Amb28080387 [0,1,0,0,1,0|2,0,0]=4 549 B10R0.165 CC(=O)O[Si](C)(C)OC(C)=O Amb9786721 [0,1,0,0,1,0|0,1,0]=3 550 B12R0.241 CNC(=O)CNCC(C)NC(C)=O Amb24073441 [0,1,0,0,0,1|2,0,0]=4 551 B12R0.388 CC(=O)OCP(C)(=O)COC(C)=O Amb535020 [0,1,0,0,0,1|1,0,0]=3 552 B12R0.155 COC(=O)NCC(C)OS(C)(=O)=O Amb27752017 [0,2,0,0,0,0|2,0,0]=4 553 B12R0.52 CCCC(COC(C)=O)NC(C)=O Amb24105948 [0,2,0,0,0,0|1,0,0]=3 554 B12R0.138 C=C(C)C(CC=C(C)C)OC(C)=O Amb21965172 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.8 CCN1CC(=O)O[C@@H](C)C1 Amb25350741 [1,0,0,1,0,0|1,0,1]=4 556 B10R1.16 CCCCC1CCC(=O)O1 Amb8513275 [1,0,0,1,0,0|1,0,1]=4 557 B10R1.16 CCOCC1CCC(=O)C1 Amb26649290 [1,0,0,1,0,0|1,0,1]=4 558 B10R1.16 CCOCC1COC(=O)O1 Amb27613885 [1,0,0,1,0,0|1,0,1]=4 559 B10R1.16 C\C=C\CC1CCC(=O)C1 Amb24364236 [1,0,0,1,0,0|2,0,0]=4 560 B10R1.16 O=C\C=C\C1CCC(=O)O1 Amb24524332 [1,0,0,1,0,0|1,0,1]=4 561 B10R1.18 CC(=O)CC1CC=CCC1 Amb25348584 [1,0,0,1,0,0|2,0,0]=4 562 B10R1.18 CC(=O)CC1CCCOC1 Amb26842438 [1,0,0,1,0,0|1,0,1]=4 563 B10R1.18 CC(=O)NC1CC=CCC1 Amb27226169 [1,0,0,1,0,0|2,0,0]=4 564 B10R1.18 CC(=O)N[C@@H]1CCCOC1 Amb27809926 [1,0,0,1,0,0|1,0,1]=4 565 B10R1.18 CC(=O)N[C@H]1CC=CCC1 Amb25873699 [1,0,0,1,0,0|2,0,0]=4 566 B10R1.18 CC(=O)OC1CCCNC1 Amb21956163 [1,0,0,1,0,0|1,0,1]=4 567 B10R1.18 CC(=O)OC1CCCNC1 Amb22011794 [1,0,0,1,0,0|1,0,1]=4 568 B10R1.18 CC(=O)OC1CCNCC1 Amb18644008 [1,0,0,1,0,0|2,0,0]=4 569 B10R1.18 CC(=O)OC1CCNCC1 Amb21856811 [1,0,0,1,0,0|2,0,0]=4 570 B10R1.18 CC(=O)OC1CCSCC1 Amb28050264 [1,0,0,1,0,0|2,0,0]=4 571 B10R1.18 CC(=O)O[C@@H]1CCCNC1 Amb27196231 [1,0,0,1,0,0|1,0,1]=4 572 B10R1.18 CC(=O)O[C@H]1CCCNC1 Amb28050160 [1,0,0,1,0,0|1,0,1]=4 573 B10R1.18 O=C(Cl)OC1CCCOC1 Amb23598369 [1,0,0,1,0,0|1,0,1]=4 574 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [1,0,0,1,0,0|2,0,0]=4 575 B10R1.54 CC(=O)NC1CCC(=O)C1 Amb27425009 [1,0,0,1,0,0|2,0,0]=4 576 B10R1.54 CC(=O)NC1CNC(=O)C1 Amb27246003 [1,0,0,1,0,0|2,0,0]=4 577 B10R1.54 CC(=O)NC1COC(C)C1 Amb30010490 [1,0,0,1,0,0|1,0,1]=4 578 B10R1.54 CC(=O)OC1C=CC(=O)C1 Amb27837893 [1,0,0,1,0,0|1,0,1]=4 579 B10R1.54 CC(=O)OC1COC(=O)C1 Amb22730362 [1,0,0,1,0,0|0,0,0]=2 580 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 Amb25734052 [1,0,0,1,0,0|1,0,1]=4 581 B10R1.54 CC(=O)O[C@@H]1COC(=O)C1 Amb8516055 [1,0,0,1,0,0|0,0,0]=2 582 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 Amb24183512 [1,0,0,1,0,0|1,0,1]=4 583 B10R1.54 CC(=O)O[C@H]1COC(=O)C1 Amb22225179 [1,0,0,1,0,0|0,0,0]=2 584 B10R1.54 CC(=O)SC1CNC(=O)C1 Amb27411796 [1,0,0,1,0,0|1,1,0]=4 585 B10R1.54 CC(=O)S[C@H]1CCC(=O)C1 Amb27750249 [1,0,0,1,0,0|1,1,0]=4 586 B10R1.54 CC(=O)S[C@H]1CNC(=O)C1 Amb24592595 [1,0,0,1,0,0|1,1,0]=4 587 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [1,0,0,1,0,0|2,0,0]=4 588 B10R1.61 CC(=O)C1CCOCC1C Amb28041252 [1,0,0,1,0,0|1,0,1]=4 589 B10R1.61 CC(=O)N1CCOCC1C Amb26456170 [1,0,0,1,0,0|1,0,1]=4 590 B10R1.61 CC(=O)N1CCOC[C@@H]1C Amb28184783 [1,0,0,1,0,0|1,0,1]=4 591 B10R1.168 COC1CC(OC(C)=O)C1 Amb28139031 [1,0,0,1,0,0|2,0,0]=4 592 B10R1.192 CC(=O)C1C(=O)NCC1C Amb28198719 [1,0,0,1,0,0|2,0,0]=4 593 B10R1.192 CC(=O)[C@@H]1C(=O)OC[C@H]1C Amb28139548 [1,0,0,1,0,0|1,0,0]=3 594 B10R1.330 CC1CNC(=O)CC(=O)C1 Amb27389897 [1,0,0,1,0,0|2,0,0]=4 595 B10R1.370 CC1(OC(=O)Cl)CCOC1 Amb33297360 [1,0,0,1,0,0|1,0,1]=4 596 B10R1.435 CCOCC1(C)CC(=O)N1 Amb28056737 [1,0,0,1,0,0|1,0,1]=4 597 B10R1.1 CCCC1CCC(=O)OC1 Amb26008142 [1,0,0,1,0,0|1,0,1]=4 598 B10R1.1 CCOC1CCC(=O)CC1 Amb19895238 [1,0,0,1,0,0|1,0,1]=4 599 B10R1.1 O=CCC1CCC(=O)CC1 Amb28195330 [1,0,0,1,0,0|2,0,0]=4 600 B10R1.1 O=CNC1CCC(=O)CC1 Amb27478986 [1,0,0,1,0,0|2,0,0]=4 601 B10R1.59 CC(=O)C1=CC(C)OC1=O Amb28351544 [1,0,0,1,0,0|1,0,1]=4 602 B10R1.59 CC(=O)C1CC(C)OC1=O Amb17593583 [1,0,0,1,0,0|1,0,0]=3 603 B10R1.59 CC(=O)N1CC(C)OC1=O Amb28468128 [1,0,0,1,0,0|1,0,0]=3 604 B10R1.59 CC1=C(C(=O)O)CC(C)O1 Amb28050045 [1,0,0,1,0,0|2,0,0]=4 605 B10R1.59 CC1CC(C(=O)O)C(=O)O1 Amb27883641 [1,0,0,1,0,0|2,0,0]=4 606 B10R1.64 CC(=O)CC1CCOC1C Amb33427952 [1,0,0,1,0,0|1,0,1]=4 607 B10R1.66 CC(=O)CCC1CCCO1 Amb4056391 [1,0,0,1,0,0|1,0,1]=4 608 B10R1.66 CC(=O)OCC1CCCC1 Amb27856070 [1,0,0,1,0,0|1,0,1]=4 609 B10R1.66 CC(=O)OC[C@@H]1CCCO1 Amb27809975 [1,0,0,1,0,0|0,0,1]=3 610 B10R1.66 O=C(Cl)OCC1CCCO1 Amb25885759 [1,0,0,1,0,0|1,0,1]=4 611 B10R1.66 O=C(Cl)OC[C@H]1CCCO1 Amb33296979 [1,0,0,1,0,0|1,0,1]=4 612 B10R1.82 CC(=O)OCC1CC(O)O1 Amb28350061 [1,0,0,1,0,0|0,0,2]=4 613 B10R1.107 CC(=O)O[C@@H]1C(=O)N[C@H]1C Amb27450689 [1,0,0,1,0,0|1,0,0]=3 614 B10R1.113 CC(=O)C1CC=CC(C)C1 Amb27462843 [1,0,0,1,0,0|2,0,0]=4 615 B10R1.113 CC(=O)N1CCOC(C)C1 Amb26542665 [1,0,0,1,0,0|1,0,1]=4 616 B10R1.113 CC(=O)[C@@H]1CC=C[C@@H](C)C1 Amb26986966 [1,0,0,1,0,0|2,0,0]=4 617 B10R1.113 CC(=O)[C@H]1CC=C[C@@H](C)C1 Amb28291493 [1,0,0,1,0,0|2,0,0]=4 618 B10R1.156 CC(=O)CC[C@H]1C[C@H]1C=O Amb28437132 [1,0,0,1,0,0|2,0,0]=4 619 B10R1.156 CC(=O)OC[C@@H]1C[C@@H]1C=O Amb27422057 [1,0,0,1,0,0|1,0,0]=3 620 B10R1.156 CC(=O)OC[C@H]1C[C@H]1C=O Amb24647692 [1,0,0,1,0,0|1,0,0]=3 621 B10R1.353 CC(=O)OCC1(C)COC1 Amb24519672 [1,0,0,1,0,0|2,0,0]=4 622 B10R1.352 CC(=O)OCC1OC1(C)C Amb24117529 [1,0,0,1,0,0|1,0,1]=4 623 B10R1.361 CC(=O)C1=C(C(C)=O)CC1 Amb4016966 [1,0,0,1,0,0|2,0,0]=4 624 B10R1.361 CC(=O)[C@H]1CC[C@H]1C(C)=O Amb28461217 [1,0,0,1,0,0|2,0,0]=4 625 B10R1.368 CC(=O)NC1CC1C(C)=O Amb18831758 [1,0,0,1,0,0|2,0,0]=4 626 B10R1.368 CC(=O)OC1CC1C(C)=O Amb27954052 [1,0,0,1,0,0|1,0,0]=3 627 B10R1.13 CC(=O)C1CC=C(Br)CC1 Amb25756617 [0,0,0,1,1,0|2,0,0]=4 628 B10R1.13 CC(=O)C1CC=C(C)CC1 Amb4025836 [0,0,0,1,1,0|2,0,0]=4 629 B10R1.13 CC(=O)C1CCC(=O)CC1 Amb27597007 [0,0,0,1,1,0|1,0,0]=3 630 B10R1.13 CC(=O)C1CCC(C)OC1 Amb35732771 [0,0,0,1,1,0|1,0,1]=4 631 B10R1.13 CC(=O)N1CCC(=O)CC1 Amb2582739 [0,0,0,1,1,0|2,0,0]=4 632 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 Amb26539699 [0,0,0,1,1,0|1,0,1]=4 633 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [0,0,0,1,1,0|2,0,0]=4 634 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,1,0|2,0,0]=4 635 B10R1.13 O=C1CCC(C(=O)Cl)CC1 Amb10071440 [0,0,0,1,1,0|2,0,0]=4 636 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [0,0,0,1,1,0|2,0,0]=4 637 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [0,0,0,1,1,0|2,0,0]=4 638 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [0,0,0,1,1,0|2,0,0]=4 639 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [0,0,0,1,1,0|2,0,0]=4 640 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [0,0,0,1,1,0|2,0,0]=4 641 B10R1.58 CC(=O)C1CC(=O)C(C)C1 Amb26936800 [0,0,0,1,1,0|1,0,0]=3 642 B10R1.58 CC(=O)C1CC(=O)N(C)C1 Amb28286921 [0,0,0,1,1,0|2,0,0]=4 643 B10R1.58 CC(=O)N1CC(=O)N(C)C1 Amb27458644 [0,0,0,1,1,0|2,0,0]=4 644 B10R1.58 CC1CC(C(=O)O)CC1=O Amb27413499 [0,0,0,1,1,0|2,0,0]=4 645 B10R1.80 CC(=O)OC1NC(=O)C1Br Amb27602251 [0,0,0,1,1,0|2,0,0]=4 646 B10R1.80 CC(=O)OC1NC(=O)C1N Amb27838093 [0,0,0,1,1,0|2,0,0]=4 647 B10R1.80 CC(=O)O[C@H]1NC(=O)[C@@H]1Cl Amb27659300 [0,0,0,1,1,0|2,0,0]=4 648 B10R1.117 CC(=O)OC[C@H]1CC[C@H]1O Amb27465735 [0,0,0,1,1,0|0,0,2]=4 649 B10R1.332 O=C1CCC(=O)C(O)CN1 Amb27184436 [0,0,0,1,1,0|2,0,0]=4 650 B10R1.349 CC(=O)C1CC(C(=O)O)C1 Amb25113879 [0,0,0,1,1,0|2,0,0]=4 651 B10R1.349 CC(=O)N1CC(C(=O)O)C1 Amb33545591 [0,0,0,1,1,0|2,0,0]=4 652 B10R1.349 CC(=O)N1CC(C(N)=O)C1 Amb22643533 [0,0,0,1,1,0|2,0,0]=4 653 B10R1.360 C=C(C)C1(C)CC1C(C)=O Amb27262945 [0,0,0,1,1,0|2,0,0]=4 654 B10R1.360 CC(=O)[C@@H]1C[C@]1(C)C(C)=O Amb27844205 [0,0,0,1,1,0|1,0,0]=3 655 B10R1.470 CC(=O)C1(C)CCC(=O)C1 Amb25146569 [0,0,0,1,1,0|1,0,0]=3 656 B10R1.470 CC(=O)C1(C)CN=C(C)O1 Amb25859676 [0,0,0,1,1,0|1,0,1]=4 657 B10R1.470 CC(=O)C1(C)COC(C)O1 Amb24524535 [0,0,0,1,1,0|0,0,2]=4 658 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Amb23454199 [0,0,0,1,1,0|2,0,0]=4 659 B10R1.470 CC1(C(=O)O)CNC(=O)C1 Amb22546311 [0,0,0,1,1,0|2,0,0]=4 660 B10R1.470 CC1(C(=O)O)COC(=O)N1 Amb27838110 [0,0,0,1,1,0|2,0,0]=4 661 B10R1.470 CC1(C(=O)O)COC(=O)O1 Amb28422351 [0,0,0,1,1,0|2,0,0]=4 662 B10R1.470 C[C@@]1(C(=O)O)COC(=O)O1 Amb27467542 [0,0,0,1,1,0|2,0,0]=4 663 B10R1.470 O=C1C[C@@](O)(C(=O)O)CO1 Amb25084490 [0,0,0,1,1,0|2,0,0]=4 664 B10R1.282 CC(=O)C1C(C)C1C(=O)O Amb27794780 [0,0,0,1,1,0|2,0,0]=4 665 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O Amb27489158 [0,0,0,1,1,0|2,0,0]=4 666 B10R1.309 CC(=O)CC1(C)CC(=O)O1 Amb27217382 [0,0,0,1,1,0|0,0,0]=2 667 B10R1.309 C[C@]1(CC(=O)O)CC(=O)O1 Amb27827327 [0,0,0,1,1,0|1,0,0]=3 668 B12R1.101 CC(=O)CC1CC(=O)CC(C)N1 Amb27793060 [0,0,0,1,0,1|2,0,0]=4 669 B12R1.101 CC(=O)C[C@@H]1CC(=O)C[C@H](C)N1 Amb27967815 [0,0,0,1,0,1|2,0,0]=4 670 B12R1.101 CC(=O)OC1CC(=O)NC(C)C1 Amb27614700 [0,0,0,1,0,1|1,0,0]=3 671 B12R1.101 CC(=O)OC1CC(C)OC(C)O1 Amb20240619 [0,0,0,1,0,1|0,0,2]=4 672 B12R1.101 CC(=O)O[C@H]1CC(=O)C[C@@H](O)C1 Amb27211925 [0,0,0,1,0,1|2,0,0]=4 673 B12R1.103 CC(=O)OC(C)C1CCC(=O)N1 Amb28242973 [0,0,0,1,0,1|2,0,0]=4 674 B12R1.103 CC(=O)OC(C)c1nc(C)no1 Amb28078877 [0,0,0,1,0,1|1,0,1]=4 675 B12R1.103 CC(=O)OC(Cl)C1=CC(=O)OC1 Amb27650635 [0,0,0,1,0,1|1,0,1]=4 676 B12R1.105 CC(=O)NCCC1CCC(=O)C1 Amb27178163 [0,0,0,1,0,1|2,0,0]=4 677 B12R1.105 CC(=O)NOCC1CCC(C)O1 Amb28064800 [0,0,0,1,0,1|1,0,1]=4 678 B12R1.389 CC(=O)N1CC[C@@H](OC(=O)Cl)C1 Amb33297221 [0,0,0,1,0,1|2,0,0]=4 679 B12R1.389 CC(=O)OC1CCC(C(C)=O)C1 Amb27474332 [0,0,0,1,0,1|1,0,0]=3 680 B12R1.389 CC(=O)OC1CCN(C(=O)Cl)C1 Amb33482761 [0,0,0,1,0,1|2,0,0]=4 681 B12R1.389 CC(=O)OC1CNC(C(=O)O)C1 Amb27400347 [0,0,0,1,0,1|2,0,0]=4 682 B12R1.389 CC(=O)OC1CN[C@H](C(=O)O)C1 Amb26505797 [0,0,0,1,0,1|2,0,0]=4 683 B12R1.389 CC(=O)O[C@@H]1CO[C@@H](C(=O)O)S1 Amb28421780 [0,0,0,1,0,1|2,0,0]=4 684 B12R1.389 CC(=O)O[C@H]1CN[C@H](C(=O)O)C1 Amb27221074 [0,0,0,1,0,1|2,0,0]=4 685 B12R1.389 CC(=O)O[C@H]1CO[C@H](C(=O)O)S1 Amb25945722 [0,0,0,1,0,1|2,0,0]=4 686 B12R1.861 CC(=O)CC[C@@H]1CC(=O)C[C@H]1C Amb27854615 [0,0,0,1,0,1|2,0,0]=4 687 B12R1.861 CC(=O)CC[C@H]1CC(=O)C[C@H]1C Amb28247980 [0,0,0,1,0,1|2,0,0]=4 688 B12R1.861 CC(=O)OCC1CC(=O)C=C1C Amb28351575 [0,0,0,1,0,1|1,0,1]=4 689 B12R1.861 CC(=O)OCC1CC(=O)CC1C Amb27409637 [0,0,0,1,0,1|1,0,0]=3 690 B12R1.861 CC(=O)OCc1cc(C)oc1C Amb27661947 [0,0,0,1,0,1|1,0,1]=4 691 B12R1.1257 CC(=O)CC1(C)CCCC(=O)C1 Amb27177700 [0,0,0,1,0,1|2,0,0]=4 692 B12R1.1257 CC(=O)OC1(C)CCCC(=O)C1 Amb27177961 [0,0,0,1,0,1|1,0,0]=3 693 B12R1.1394 CC(=O)CN1CC(NC(C)=O)C1 Amb28071993 [0,0,0,1,0,1|2,0,0]=4 694 B12R1.1821 CC(=O)OC1CCOC(C)(C)C1 Amb27802102 [0,0,0,1,0,1|1,0,1]=4 695 B12R1.2734 CC(=O)\C=C\C1C(C)C1C(C)=O Amb27256599 [0,0,0,1,0,1|2,0,0]=4 696 B12R1.21 CC(=O)NCC1CCC(=O)CC1 Amb20247630 [0,0,0,1,0,1|2,0,0]=4 697 B12R1.21 CC(=O)OCC1CCC(O)OC1 Amb27972448 [0,0,0,1,0,1|0,0,2]=4 698 B12R1.21 NC(=O)COC1CCC(=O)CC1 Amb28046954 [0,0,0,1,0,1|2,0,0]=4 699 B12R1.21 O=C(O)COC1CCC(=O)CC1 Amb26371567 [0,0,0,1,0,1|2,0,0]=4 700 B12R1.1344 CC(=O)N1CC(OCC(=O)O)C1 Amb28721037 [0,0,0,1,0,1|2,0,0]=4 701 B12R1.3799 CC(=O)CO[C@@]1(C)CO[C@@H](C)O1 Amb28053979 [0,0,0,1,0,1|0,0,2]=4 702 B12R1.3799 CC(=O)SCC1(C)COC(=O)N1 Amb28239489 [0,0,0,1,0,1|1,1,0]=4 703 B12R1.19 CC(=O)NC1CCC(=O)N(C)C1 Amb27652284 [0,1,0,1,0,0|2,0,0]=4 704 B12R1.19 CC(=O)OC1CC=C(C)C(O)C1 Amb28344910 [0,1,0,1,0,0|1,0,1]=4 705 B12R1.19 CC(=O)OC1CCC(=O)C(C)C1 Amb27177739 [0,1,0,1,0,0|1,0,0]=3 706 B12R1.19 CC(=O)OC1CNC(=O)[C@@H](N)C1 Amb27586416 [0,1,0,1,0,0|1,0,0]=3 707 B12R1.19 CC(=O)O[C@H]1CC=C(C)[C@H](O)C1 Amb27443196 [0,1,0,1,0,0|1,0,1]=4 708 B12R1.19 CC(=O)O[C@H]1CCC(=O)[C@@H](C)C1 Amb27267200 [0,1,0,1,0,0|1,0,0]=3 709 B12R1.19 CN1CC(OC(=O)Cl)CCC1=O Amb33297173 [0,1,0,1,0,0|2,0,0]=4 710 B12R1.111 CC(=O)C1=NN(C(C)=O)CC1C Amb28074646 [0,1,0,1,0,0|2,0,0]=4 711 B12R1.3005 CC(=O)C1CC(=O)CC(C)(C)C1 Amb17594215 [0,1,0,1,0,0|2,0,0]=4 712 B12R1.3005 CC(=O)C1CC(=O)CC(C)(O)C1 Amb27836822 [0,1,0,1,0,0|2,0,0]=4 713 B12R1.106 CS(=O)(=O)OC1CCC(=O)CC1 Amb19890195 [0,1,0,1,0,0|2,0,0]=4 714 B12R1.1381 CC(=O)N1CC(OS(C)(=O)=O)C1 Amb22886972 [0,1,0,1,0,0|2,0,0]=4 715 B12R1.49 CCC(=O)OC1CCC(=O)CC1 Amb27177801 [0,1,0,1,0,0|1,0,0]=3 716 B12R1.49 CNC(=O)CC1CCC(=O)CC1 Amb27479548 [0,1,0,1,0,0|2,0,0]=4 717 B12R1.49 CNC(=O)NC1CCC(=O)CC1 Amb27205461 [0,1,0,1,0,0|2,0,0]=4 718 B12R1.49 COC(=O)CC1CCC(=O)CC1 Amb8391814 [0,1,0,1,0,0|2,0,0]=4 719 B12R1.49 COC(=O)NC1CCC(=O)CC1 Amb9517827 [0,1,0,1,0,0|2,0,0]=4 720 B12R1.49 O=C1CCC(NC(=O)CCl)CN1 Amb28288609 [0,1,0,1,0,0|2,0,0]=4 721 B12R1.49 O=C1CCC(OC(=O)CO)CN1 Amb28189879 [0,1,0,1,0,0|1,0,0]=3 722 B12R1.110 CC(=O)OCC1CC(C)C(C)O1 Amb26080762 [0,1,0,1,0,0|1,0,1]=4 723 B12R1.110 CC(=O)OC[C@@H]1C[C@@H](O)[C@H](O)O1 Amb27211300 [0,1,0,1,0,0|0,0,2]=4 724 B12R1.110 CC(=O)OC[C@H]1C[C@H](O)C(=O)O1 Amb27213814 [0,1,0,1,0,0|0,0,0]=2 725 B12R1.110 CN1CC(CCC(=O)O)OC1=O Amb28369715 [0,1,0,1,0,0|2,0,0]=4 726 B12R1.226 CC(=O)CCC1CCCC(=O)C1 Amb28202303 [0,1,0,1,0,0|2,0,0]=4 727 B12R1.226 CC(=O)OCC1=CC(=O)CCC1 Amb27178027 [0,1,0,1,0,0|1,0,1]=4 728 B12R1.226 CC(=O)OCC1CCCC(=O)C1 Amb27177829 [0,1,0,1,0,0|1,0,0]=3 729 B12R1.230 CC(=O)OC\C(C)=C1/CNC1=O Amb27969537 [0,1,0,1,0,0|1,0,1]=4 730 B12R1.233 CC(=O)NC1CCC(=O)OC1=O Amb25234120 [0,1,0,1,0,0|1,0,1]=4 731 B12R1.233 CC(=O)N[C@H]1CCC(=O)O[C@@H]1C Amb27493428 [0,1,0,1,0,0|1,0,0]=3 732 B12R1.233 CC(=O)OC1CCC(C)=CC1O Amb28127757 [0,1,0,1,0,0|2,0,0]=4 733 B12R1.233 CC(=O)OC1CCC(Cl)OC1C Amb28400468 [0,1,0,1,0,0|1,0,1]=4 734 B12R1.233 CC(=O)O[C@@H]1CCC(=O)C=C1C Amb27177780 [0,1,0,1,0,0|1,0,1]=4 735 B12R1.233 CC(=O)O[C@H]1CCC(C)=C[C@@H]1O Amb27184495 [0,1,0,1,0,0|2,0,0]=4 736 B12R1.233 CC(=O)O[C@H]1CC[C@@H](O)O[C@H]1C Amb27420468 [0,1,0,1,0,0|0,0,2]=4 737 B12R1.233 CC(=O)O[C@H]1CC[C@H](O)O[C@H]1C Amb28435771 [0,1,0,1,0,0|0,0,2]=4 738 B12R1.354 COC(=O)C1CC(=O)CCC1C Amb25723309 [0,1,0,1,0,0|2,0,0]=4 739 B12R1.354 COC(=O)[C@H]1CC(=O)CC[C@@H]1C Amb27427739 [0,1,0,1,0,0|2,0,0]=4 740 B12R1.511 CC(=O)N1CC(=O)O[C@@H](C)C1=O Amb26339315 [0,1,0,1,0,0|1,0,1]=4 741 B12R1.854 CC1OC(=O)C(C)C1CC(=O)O Amb27210823 [0,1,0,1,0,0|2,0,0]=4 742 B12R1.854 C[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC(=O)O Amb27205131 [0,1,0,1,0,0|2,0,0]=4 743 B12R1.1749 CC(=O)N1CC(NC(=O)CCl)C1 Amb27829704 [0,1,0,1,0,0|2,0,0]=4 744 B12R1.1749 CNC(=O)NC1CN(C(C)=O)C1 Amb27665075 [0,1,0,1,0,0|2,0,0]=4 745 B12R1.1749 COC(=O)NC1CN(C(C)=O)C1 Amb28283551 [0,1,0,1,0,0|2,0,0]=4 746 B12R1.1852 CC(=O)O[C@H]1C[C@H](C=O)O[C@H]1C Amb27851479 [0,1,0,1,0,0|0,0,1]=3 747 B12R1.2224 COC(=O)CC1(C)CCC(=O)C1 Amb27211945 [0,1,0,1,0,0|2,0,0]=4 748 B12R1.4 CC(=O)OC1CCC(C=O)CC1 Amb26626079 [0,1,0,1,0,0|1,0,1]=4 749 B12R1.4 CC(=O)O[C@@H]1CC[C@@H](CO)OC1 Amb28065351 [0,1,0,1,0,0|0,0,2]=4 750 B12R1.4 CC(=O)O[C@H]1CC[C@H](C=O)CC1 Amb27830043 [0,1,0,1,0,0|1,0,1]=4 751 B12R1.26 COC(=O)NCC1CCC(=O)N1 Amb27976473 [0,1,0,1,0,0|2,0,0]=4 752 B12R1.26 COC(=O)NCC1CNC(=O)O1 Amb28127704 [0,1,0,1,0,0|2,0,0]=4 753 B12R1.26 NCC(=O)NCC1CNC(=O)O1 Amb25777013 [0,1,0,1,0,0|2,0,0]=4 754 B12R1.26 O=C(CBr)NCC1CCC(=O)N1 Amb27614721 [0,1,0,1,0,0|2,0,0]=4 755 B12R1.26 O=C(CCl)NCC1CCC(=O)N1 Amb27455908 [0,1,0,1,0,0|2,0,0]=4 756 B12R1.349 CC1(CC(=O)O)CNC(=O)OC1 Amb24644126 [0,1,0,1,0,0|2,0,0]=4 757 B12R1.349 CC1(OC(=O)Cl)CCC(=O)CC1 Amb33297120 [0,1,0,1,0,0|2,0,0]=4 758 B12R1.358 CC1CN(C(=O)CN)CC(=O)N1 Amb27249772 [0,1,0,1,0,0|2,0,0]=4 759 B12R1.358 CNC(=O)C1CC(=O)NC(C)C1 Amb27650122 [0,1,0,1,0,0|2,0,0]=4 760 B12R1.358 CNC(=O)N1CC(=O)NC(C)C1 Amb28145038 [0,1,0,1,0,0|2,0,0]=4 761 B12R1.358 COC(=O)N1CC(=O)NC(C)C1 Amb27476369 [0,1,0,1,0,0|2,0,0]=4 762 B12R1.358 COC(=O)[C@@H]1CC(=O)C[C@@H](C)C1 Amb27781985 [0,1,0,1,0,0|2,0,0]=4 763 B12R1.532 COC(=O)CC1NC(=O)OC1C Amb28040949 [0,1,0,1,0,0|2,0,0]=4 764 B12R1.1663 CC(=O)NC1CN(C(=O)CCl)C1 Amb28244967 [0,1,0,1,0,0|2,0,0]=4 765 B12R1.1663 CC(=O)NC1CN(C(=O)CO)C1 Amb28188171 [0,1,0,1,0,0|2,0,0]=4 766 B12R1.1663 CC(=O)NC1CN(C(=O)CS)C1 Amb28193084 [0,1,0,1,0,0|2,0,0]=4 767 B12R1.1663 COC(=O)N1CC(OC(C)=O)C1 Amb24078327 [0,1,0,1,0,0|1,0,0]=3 768 B12R1.2705 CC(=O)OC1(C)CC=C(C)C1=O Amb27169034 [0,1,0,1,0,0|1,0,0]=3 769 B12R1.3855 CC(=O)OC1CCC(C)(C=O)C1 Amb27830040 [0,1,0,1,0,0|1,0,1]=4 770 B12R1.65 CC(=O)N[C@H]1CC(=O)N[C@@H]1CO Amb28457457 [0,1,0,1,0,0|2,0,0]=4 771 B12R1.65 CC(=O)O[C@H]1CC(O)O[C@@H]1CO Amb27858035 [0,1,0,1,0,0|0,0,2]=4 772 B12R1.65 CC[C@@H]1NC(=O)C[C@@H]1NC(C)=O Amb28384945 [0,1,0,1,0,0|2,0,0]=4 773 B12R1.65 CC[C@@H]1OC(=O)C[C@@H]1NC(C)=O Amb27469694 [0,1,0,1,0,0|1,0,0]=3 774 B12R1.3108 CC(=O)NCC1(NC(C)=O)CC1 Amb28193661 [0,1,0,1,0,0|2,0,0]=4 775 B12R1.870 CC(=O)OCC1COC(=O)N1C Amb27485786 [0,1,0,1,0,0|2,0,0]=4 776 B12R1.1276 CC(=O)OC1CC(=O)N(C)C1O Amb28069511 [0,1,0,1,0,0|2,0,0]=4 777 B12R1.1276 CC(=O)O[C@@H]1CC(=O)[C@@H](F)[C@H]1F Amb28351470 [0,1,0,1,0,0|2,0,0]=4 778 B12R1.1276 CC(=O)O[C@H]1CC(=O)N(C)[C@H]1O Amb28069138 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.1831 CC(=O)OC1(C)CCS(=O)(=O)C1 Amb5716948 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.3594 CC(=O)OC1C(C)(C)OC1(C)C Amb27394469 [0,1,0,1,0,0|1,0,1]=4 781 B12R1.836 CS(=O)(=O)OCC1CCC(=O)N1 Amb26443432 [0,1,0,1,0,0|2,0,0]=4 782 B12R1.836 CS(=O)(=O)OC[C@@H]1CCC(=O)N1 Amb28453579 [0,1,0,1,0,0|2,0,0]=4 783 B12R1.836 CS(=O)(=O)OC[C@H]1CNC(=O)O1 Amb27954260 [0,1,0,1,0,0|2,0,0]=4 784 B12R1.836 C[Si](C)(C)OC[C@@H]1CCC(=O)O1 Amb27389504 [0,1,0,1,0,0|1,1,0]=4 785 B12R2.212 O=C1CC2CC(CCC2=O)N1 Amb27234722 [0,0,0,2,0,0|2,0,0]=4 786 B12R2.212 O=C1C[C@@H]2C[C@@H](CCC2=O)N1 Amb27432238 [0,0,0,2,0,0|2,0,0]=4 787 B12R2.212 O=C1C[C@H]2CCC(=O)[C@@H](C1)C2 Amb27211964 [0,0,0,2,0,0|2,0,0]=4 788 B12R2.212 O=C1C[C@H]2C[C@H](CCC2=O)N1 Amb28350320 [0,0,0,2,0,0|2,0,0]=4 789 B12R2.606 O=C1C=C[C@@H]2OC(=O)C[C@@H]2C1 Amb27970173 [0,0,0,2,0,0|1,0,1]=4 790 B12R2.606 O=C1CC2CNC(=O)CC2C1 Amb22828180 [0,0,0,2,0,0|2,0,0]=4 791 B12R2.606 O=C1CC2COC(=O)CC2C1 Amb28074806 [0,0,0,2,0,0|1,0,0]=3 792 B12R2.606 O=C1CCC2OC(=O)CC2C1 Amb17593843 [0,0,0,2,0,0|1,0,0]=3 793 B12R2.606 O=C1CC[C@H]2CC(=O)C[C@H]2C1 Amb28131351 [0,0,0,2,0,0|2,0,0]=4 794 B12R2.606 O=C1C[C@@H]2CNC(=O)C[C@@H]2C1 Amb25233082 [0,0,0,2,0,0|2,0,0]=4 795 B12R2.606 O=C1C[C@H]2CNC(=O)C[C@H]2C1 Amb27963727 [0,0,0,2,0,0|2,0,0]=4 796 B12R2.1209 O=C1CC2(CNC(=O)OC2)C1 Amb35751453 [0,0,0,2,0,0|2,0,0]=4 797 B12R2.1145 CC(=O)N1CC2CC1C(=O)O2 Amb25264337 [0,0,0,2,0,0|1,0,0]=3 798 B12R2.1145 CC(=O)N1C[C@@H]2CC1C(=O)O2 Amb28285353 [0,0,0,2,0,0|1,0,0]=3 799 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 Amb24443016 [0,0,0,2,0,0|2,0,0]=4 800 B12R2.1145 O=C(O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 Amb23439478 [0,0,0,2,0,0|2,0,0]=4 801 B12R2.1145 O=C(O)[C@H]1C[C@@H]2C[C@H]1C(=O)O2 Amb22262945 [0,0,0,2,0,0|2,0,0]=4 802 B12R2.1145 O=C(O)[C@H]1C[C@H]2C[C@@H]1C(=O)O2 Amb27237451 [0,0,0,2,0,0|2,0,0]=4 803 B12R2.2860 CC12CC(=O)CC(C1)C(=O)C2 Amb27409603 [0,0,0,2,0,0|2,0,0]=4 804 B12R2.1080 O=C1CC2C(CC2C(=O)O)O1 Amb27184088 [0,0,0,2,0,0|2,0,0]=4 805 B12R2.1168 CC1CC2(CCC(=O)O2)CO1 Amb29849913 [0,0,0,2,0,0|1,0,1]=4 806 B12R2.1168 O=C1CC2(CN1)COC(=O)C2 Amb27827392 [0,0,0,2,0,0|2,0,0]=4 807 B12R2.1168 O=C1CCC2(CCC(=O)O2)O1 Amb3940409 [0,0,0,2,0,0|2,0,0]=4 808 B12R2.1225 C[C@H]1C[C@@H]2C(=O)CCC(=O)[C@H]12 Amb28054377 [0,0,0,2,0,0|2,0,0]=4 809 B12R2.3863 CC12CC(=O)CC1CC(=O)C2 Amb22365337 [0,0,0,2,0,0|2,0,0]=4 810 B8R0.8 C=CCCC(C)C(C)=O Amb27470888 [1,0,0,0,1,0|1,0,1]=4 811 B8R0.8 CC#CCC(C)C(C)=O Amb28049063 [1,0,0,0,1,0|1,0,1]=4 812 B8R0.8 CC(=O)C(O)CCC=O Amb25965289 [1,0,0,0,1,0|2,0,0]=4 813 B8R0.8 CC(=O)N(C)CCC=O Amb27985872 [1,0,0,0,1,0|2,0,0]=4 814 B8R0.8 CC(CNC=O)S(C)=O Amb28137624 [1,0,0,0,1,0|2,0,0]=4 815 B8R0.8 CCCCC(C)C(C)=O Amb4034582 [1,0,0,0,1,0|1,0,1]=4 816 B8R0.8 CCOCC(C)C(=O)O Amb9172215 [1,0,0,0,1,0|1,0,1]=4 817 B8R0.8 CCOCC(C)C(N)=O Amb28067564 [1,0,0,0,1,0|1,0,1]=4 818 B8R0.8 CCOC[C@@H](C)C(=O)O Amb25790635 [1,0,0,0,1,0|1,0,1]=4 819 B8R0.8 CCOC[C@H](C)C(=O)O Amb10844265 [1,0,0,0,1,0|1,0,1]=4 820 B8R0.8 CCSCC(C)C(C)=O Amb27409600 [1,0,0,0,1,0|0,1,1]=4 821 B8R0.8 C\C=C\CC(C)C(=O)O Amb18642630 [1,0,0,0,1,0|2,0,0]=4 822 B8R0.8 C\C=C\CC(C)C(C)=O Amb27799374 [1,0,0,0,1,0|1,0,0]=3 823 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [1,0,0,0,1,0|2,0,0]=4 824 B8R0.8 C\C=C\C[C@H](C)C(=O)O Amb28368854 [1,0,0,0,1,0|2,0,0]=4 825 B8R0.8 C\C=C\C[C@H](C)C(C)=O Amb26891739 [1,0,0,0,1,0|1,0,0]=3 826 B8R0.8 O=COCC(Cl)C(=O)O Amb27477082 [1,0,0,0,1,0|2,0,0]=4 827 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [1,0,0,0,1,0|2,0,0]=4 828 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [1,0,0,0,1,0|2,0,0]=4 829 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [1,0,0,0,1,0|1,0,0]=3 830 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [1,0,0,0,1,0|2,0,0]=4 831 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,1,0|2,0,0]=4 832 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,1,0|1,0,0]=3 833 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,1,0|2,0,0]=4 834 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,1,0|1,0,0]=3 835 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,1,0|0,0,0]=2 836 B8R0.28 CC(=O)CCOC(C)C Amb22229804 [1,0,0,0,1,0|1,0,1]=4 837 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [1,0,0,0,1,0|2,0,0]=4 838 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,1,0|2,0,0]=4 839 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,1,0|2,0,0]=4 840 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [1,0,0,0,1,0|2,0,0]=4 841 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [1,0,0,0,1,0|1,0,0]=3 842 B8R0.28 CC(=O)OCC=C(C)C Amb22002433 [1,0,0,0,1,0|1,0,1]=4 843 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,1,0|1,0,0]=3 844 B8R0.28 CC(=O)OCCC(C)C Amb2793054 [1,0,0,0,1,0|1,0,1]=4 845 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [1,0,0,0,1,0|0,0,2]=4 846 B8R0.28 CC(=O)OCCC(C)S Amb25077156 [1,0,0,0,1,0|0,1,1]=4 847 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,1,0|1,0,0]=3 848 B8R0.28 CC(=O)OCCN(C)C Amb8516593 [1,0,0,0,1,0|2,0,0]=4 849 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [1,0,0,0,1,0|2,0,0]=4 850 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [1,0,0,0,1,0|2,0,0]=4 851 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [1,0,0,0,1,0|2,0,0]=4 852 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [1,0,0,0,1,0|0,0,2]=4 853 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [1,0,0,0,1,0|1,0,0]=3 854 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [1,0,0,0,1,0|0,0,0]=2 855 B8R0.28 CC(=O)O[Cd]OC(C)=O Amb22350451 [1,0,0,0,1,0|1,0,0]=3 856 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22052496 [1,0,0,0,1,0|1,0,0]=3 857 B8R0.28 CC(=O)O[Cu]OC(C)=O Amb22338197 [1,0,0,0,1,0|1,0,0]=3 858 B8R0.28 CC(=O)O[Fe]OC(C)=O Amb22338217 [1,0,0,0,1,0|1,0,0]=3 859 B8R0.28 CC(=O)O[Ni]OC(C)=O Amb22051702 [1,0,0,0,1,0|1,0,0]=3 860 B8R0.28 CC(=O)O[Pd]OC(C)=O Amb13890307 [1,0,0,0,1,0|1,0,0]=3 861 B8R0.28 CC(=O)O[Sr]OC(C)=O Amb22348499 [1,0,0,0,1,0|1,0,0]=3 862 B8R0.28 CC(=O)O[Zn]OC(C)=O Amb22351898 [1,0,0,0,1,0|1,0,0]=3 863 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,1,0|1,1,0]=4 864 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,1,0|1,1,0]=4 865 B8R0.28 CC(=O)\C=C/OC(C)=O Amb28364680 [1,0,0,0,1,0|0,0,2]=4 866 B8R0.28 CC(=O)\C=N\OC(C)=O Amb27788385 [1,0,0,0,1,0|1,0,1]=4 867 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [0,0,0,0,2,0|2,0,0]=4 868 B8R0.23 C=C(C)C(C)CC(C)=O Amb27607290 [0,0,0,0,2,0|1,0,0]=3 869 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [0,0,0,0,2,0|2,0,0]=4 870 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [0,0,0,0,2,0|2,0,0]=4 871 B8R0.23 C=C(C)CC(C)C(C)=O Amb28203090 [0,0,0,0,2,0|1,0,0]=3 872 B8R0.23 C=C(C)CC(Cl)C(C)=O Amb27458140 [0,0,0,0,2,0|2,0,0]=4 873 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [0,0,0,0,2,0|2,0,0]=4 874 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [0,0,0,0,2,0|2,0,0]=4 875 B8R0.23 C=C(C)OC(C)C(C)=O Amb27838756 [0,0,0,0,2,0|1,0,0]=3 876 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [0,0,0,0,2,0|2,0,0]=4 877 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [0,0,0,0,2,0|2,0,0]=4 878 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [0,0,0,0,2,0|2,0,0]=4 879 B8R0.23 C=C(OC(C)=O)C(C)=O Amb27838658 [0,0,0,0,2,0|0,0,2]=4 880 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [0,0,0,0,2,0|2,0,0]=4 881 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [0,0,0,0,2,0|1,0,0]=3 882 B8R0.23 CC(=O)C(C)CC(C)C Amb24640121 [0,0,0,0,2,0|1,0,1]=4 883 B8R0.23 CC(=O)C(C)CN(C)C Amb4019104 [0,0,0,0,2,0|2,0,0]=4 884 B8R0.23 CC(=O)C(C)NC(N)=O Amb27778024 [0,0,0,0,2,0|2,0,0]=4 885 B8R0.23 CC(=O)C(C)SC(=O)Cl Amb32679654 [0,0,0,0,2,0|1,1,0]=4 886 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [0,0,0,0,2,0|2,0,0]=4 887 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,2,0|2,0,0]=4 888 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [0,0,0,0,2,0|2,0,0]=4 889 B8R0.23 CC(=O)CC(=O)C(C)=O Amb25806867 [0,0,0,0,2,0|1,0,1]=4 890 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [0,0,0,0,2,0|1,0,0]=3 891 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [0,0,0,0,2,0|0,0,0]=2 892 B8R0.23 CC(=O)CC(C)[N+](=O)[O-] Amb27210764 [0,0,0,0,2,0|2,0,0]=4 893 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [0,0,0,0,2,0|2,0,0]=4 894 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [0,0,0,0,2,0|2,0,0]=4 895 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [0,0,0,0,2,0|2,0,0]=4 896 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [0,0,0,0,2,0|2,0,0]=4 897 B8R0.23 CC(=O)CN(C)C(C)=O Amb27267241 [0,0,0,0,2,0|1,0,0]=3 898 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [0,0,0,0,2,0|2,0,0]=4 899 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [0,0,0,0,2,0|2,0,0]=4 900 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [0,0,0,0,2,0|1,0,0]=3 901 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [0,0,0,0,2,0|0,0,0]=2 902 B8R0.23 CC(=O)C[C@H](C)C(C)C Amb28285288 [0,0,0,0,2,0|1,0,1]=4 903 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [0,0,0,0,2,0|2,0,0]=4 904 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [0,0,0,0,2,0|2,0,0]=4 905 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [0,0,0,0,2,0|2,0,0]=4 906 B8R0.23 CC(=O)N(C)CC(N)=O Amb8999134 [0,0,0,0,2,0|2,0,0]=4 907 B8R0.23 CC(=O)NC(Br)C(C)=O Amb28285135 [0,0,0,0,2,0|2,0,0]=4 908 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [0,0,0,0,2,0|2,0,0]=4 909 B8R0.23 CC(=O)NC(C)C(C)=O Amb3093787 [0,0,0,0,2,0|1,0,0]=3 910 B8R0.23 CC(=O)NC(C)C(N)=O Amb4018750 [0,0,0,0,2,0|2,0,0]=4 911 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [0,0,0,0,2,0|2,0,0]=4 912 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,0,0,0,2,0|2,0,0]=4 913 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [0,0,0,0,2,0|2,0,0]=4 914 B8R0.23 CC(=O)OC(=O)C(C)=O Amb26528827 [0,0,0,0,2,0|1,0,1]=4 915 B8R0.23 CC(=O)OC(C)C(=O)Cl Amb25920188 [0,0,0,0,2,0|1,0,0]=3 916 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [0,0,0,0,2,0|1,0,0]=3 917 B8R0.23 CC(=O)OC(C)C(C)=O Amb4021650 [0,0,0,0,2,0|0,0,0]=2 918 B8R0.23 CC(=O)OC(C)C(C)O Amb28366888 [0,0,0,0,2,0|0,0,2]=4 919 B8R0.23 CC(=O)OC(C)C(N)=O Amb27179906 [0,0,0,0,2,0|1,0,0]=3 920 B8R0.23 CC(=O)ON(C)C(C)=O Amb4017292 [0,0,0,0,2,0|1,0,0]=3 921 B8R0.23 CC(=O)ON(Cl)C(C)=O Amb27872417 [0,0,0,0,2,0|2,0,0]=4 922 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl Amb3939242 [0,0,0,0,2,0|1,0,0]=3 923 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [0,0,0,0,2,0|1,0,0]=3 924 B8R0.23 CC(=O)O[C@@H](C)C(C)=O Amb26074254 [0,0,0,0,2,0|0,0,0]=2 925 B8R0.23 CC(=O)O[C@@H](C)C(N)=S Amb28067714 [0,0,0,0,2,0|1,1,0]=4 926 B8R0.23 CC(=O)O[C@@H](C)[C@@H](C)Br Amb24558149 [0,0,0,0,2,0|1,0,1]=4 927 B8R0.23 CC(=O)O[C@@H](C)[C@H](C)O Amb28321279 [0,0,0,0,2,0|0,0,2]=4 928 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl Amb27411067 [0,0,0,0,2,0|1,0,0]=3 929 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [0,0,0,0,2,0|1,0,0]=3 930 B8R0.23 CC(=O)O[C@H](C)C(C)O Amb27192959 [0,0,0,0,2,0|0,0,2]=4 931 B8R0.23 CC(=O)O[C@H](C)C(N)=O Amb27227531 [0,0,0,0,2,0|1,0,0]=3 932 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [0,0,0,0,2,0|1,1,0]=4 933 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [0,0,0,0,2,0|1,1,0]=4 934 B8R0.23 CC(=O)[C@@H](C)CN(C)C Amb27162005 [0,0,0,0,2,0|2,0,0]=4 935 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [0,0,0,0,2,0|2,0,0]=4 936 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [0,0,0,0,2,0|2,0,0]=4 937 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [0,0,0,0,2,0|1,0,0]=3 938 B8R0.23 CC(=O)\N=C(/C)C(C)=O Amb26476592 [0,0,0,0,2,0|1,0,1]=4 939 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,2,0|2,0,0]=4 940 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [0,0,0,0,2,0|2,0,0]=4 941 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [0,0,0,0,2,0|2,0,0]=4 942 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [0,0,0,0,2,0|2,0,0]=4 943 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [0,0,0,0,2,0|2,0,0]=4 944 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [0,0,0,0,2,0|2,0,0]=4 945 B8R0.23 CC(CS(C)=O)C(N)=O Amb27981416 [0,0,0,0,2,0|2,0,0]=4 946 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [0,0,0,0,2,0|2,0,0]=4 947 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [0,0,0,0,2,0|2,0,0]=4 948 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [0,0,0,0,2,0|2,0,0]=4 949 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [0,0,0,0,2,0|2,0,0]=4 950 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [0,0,0,0,2,0|2,0,0]=4 951 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [0,0,0,0,2,0|2,0,0]=4 952 B10R0.3 CCCC(C)CCOC(C)=O Amb24087389 [1,0,0,0,0,1|1,0,1]=4 953 B10R0.3 C\C=C\C(C)C\C=C\C(C)=O Amb26659861 [1,0,0,0,0,1|2,0,0]=4 954 B10R0.97 CC(=O)NCCCNC(C)=O Amb17918643 [1,0,0,0,0,1|2,0,0]=4 955 B10R0.97 CC(=O)NCCOCC(=O)O Amb24271178 [1,0,0,0,0,1|2,0,0]=4 956 B10R0.97 CC(=O)OCCCOC(C)=O Amb2720949 [1,0,0,0,0,1|0,0,0]=2 957 B12R0.44 CC(=O)NCCC(C)COC(C)=O Amb24091151 [0,0,0,0,0,2|1,0,0]=3 958 B12R0.44 CC(=O)OCCC(=O)COC(C)=O Amb24054309 [0,0,0,0,0,2|1,0,1]=4