0 B9R0.1 C#CC(=O)NOCC(=O)O Amb27399796 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.1 C#CC(C)CCCC(=O)O Amb27273525 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.1 C#C\C(C)=C\CCC(=O)O Amb27461397 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.1 C=C(Br)CNCC(=O)NC Amb18303977 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.1 C=C(Br)CSCC(=O)NC Amb24271141 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.1 C=C(C)CCNC(=O)OC Amb27247131 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.1 C=C(C)CCOC(=O)CC Amb27770403 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.1 C=C(C)CCSC(=S)OC Amb27255833 [0,0,0,0,0,0|3,1,0]=4 10 B9R0.1 C=C(C)CNCC(=O)NC Amb27407164 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.1 C=C(CC)CNCC(=O)O Amb27661467 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.1 C=CC(=C)CCCC(N)=O Amb27424951 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.1 C=CC(=O)NCCC(=O)[O-] Amb20668483 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.1 C=CC(=O)NCCC(N)=O Amb9481014 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.1 CC(=O)CCCC(=N)NN Amb25146305 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.1 CC(=O)CCC\C(C)=N\O Amb28434847 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.1 CC(C#N)CCCC(=O)O Amb18643710 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.1 CC(O)CCCC(=O)NN Amb24352284 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.1 CCC(=N)NCCC(N)=O Amb27181001 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.1 CCC(=O)CCCC(C)C Amb9031663 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.1 CCC(=O)CCCN(C)C Amb27960845 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.1 CCC(=O)CCC[N+](=O)[O-] Amb27636062 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.1 CCC(=O)NCCC(C)=O Amb17102869 [0,0,0,0,0,0|3,0,0]=3 34 B9R0.1 CCC(=O)NCCC(N)=O Amb17231982 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.1 CCC(=O)NCCC(N)=S Amb17232333 [0,0,0,0,0,0|3,1,0]=4 36 B9R0.1 CCC(=O)NOCC(N)=O Amb27390237 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.1 CCC(=O)OCOC(=O)Cl Amb25212596 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [0,0,0,0,0,0|2,0,0]=2 40 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [0,0,0,0,0,0|2,0,1]=3 41 B9R0.1 CCC(C)CCCC(C)=O Amb24424926 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.1 CCC(C)COCC(=O)O Amb28368866 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.1 CCC(C)OCCC(=O)O Amb27947378 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [0,0,0,0,0,0|1,0,2]=3 45 B9R0.1 CCC(O)CSCC(=O)O Amb18792573 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.1 CCN(C)CCCC(C)=O Amb9659156 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.1 CCS(=O)CCNC(C)=O Amb27616407 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.1 CCS(=O)CCNC(N)=O Amb27806812 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.1 CCS(=O)NOCC(=O)O Amb27249429 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.1 CC[C@@H](O)CCCC(C)=O Amb27227255 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [0,0,0,0,0,0|2,0,1]=3 53 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [0,0,0,0,0,0|2,0,1]=3 54 B9R0.1 CC\C(C)=C\CCC(C)=O Amb2721172 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.1 CN(C#N)CCCC(=O)O Amb28281828 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.1 CNC(=N)NCCC(=O)O Amb26014274 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.1 CNC(=N)NCCC(N)=O Amb27865845 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [0,0,0,0,0,0|1,0,1]=2 60 B9R0.1 CNC(=O)CCCC(C)N Amb27261578 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.1 CNC(=O)CNCC(C)=O Amb27789643 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.1 CNC(=O)CNC[C@@H](C)O Amb28188407 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [0,0,0,0,0,0|2,0,0]=2 65 B9R0.1 CNC(=O)CONC(C)=O Amb28315988 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [0,0,0,0,0,0|2,0,0]=2 67 B9R0.1 CNC(=O)CSCC(N)=O Amb27170981 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.1 CNC(=O)CSC[C@@H](C)O Amb27790534 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [0,0,0,0,0,0|2,0,0]=2 70 B9R0.1 CNC(=O)NCCC(C)O Amb27971912 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.1 CNC(=O)NOCC(=O)O Amb27970392 [0,0,0,0,0,0|3,0,0]=3 72 B9R0.1 CNC(=S)NCCC(C)=O Amb27408306 [0,0,0,0,0,0|3,1,0]=4 73 B9R0.1 CNC(=S)NOCC(=O)O Amb27201706 [0,0,0,0,0,0|3,1,0]=4 74 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [0,0,0,0,0,0|1,0,1]=2 75 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [0,0,0,0,0,0|1,0,0]=1 76 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [0,0,0,0,0,0|0,0,0]=0 77 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [0,0,0,0,0,0|0,0,1]=1 78 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [0,0,0,0,0,0|1,0,0]=1 79 B9R0.1 COC(=O)CCCC(C)Br Amb24346809 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.1 COC(=O)CCCC(C)Cl Amb24626627 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.1 COC(=O)CCCC(C)N Amb27759913 [0,0,0,0,0,0|2,0,1]=3 82 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [0,0,0,0,0,0|1,0,1]=2 83 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [0,0,0,0,0,0|1,0,0]=1 84 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [0,0,0,0,0,0|1,1,0]=2 85 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [0,0,0,0,0,0|2,0,0]=2 86 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [0,0,0,0,0,0|1,0,1]=2 87 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [0,0,0,0,0,0|2,0,0]=2 89 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [0,0,0,0,0,0|1,0,1]=2 90 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [0,0,0,0,0,0|1,0,1]=2 91 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.1 COC(=O)CCNC(C)C Amb9203616 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.1 COC(=O)CCNN(C)C Amb24113609 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [0,0,0,0,0,0|2,0,0]=2 96 B9R0.1 COC(=O)CCOC(C)C Amb9206383 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.1 COC(=O)CCO[N+](=O)[O-] Amb27424870 [0,0,0,0,0,0|2,0,1]=3 98 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.1 COC(=O)CC\N=C(/C)N Amb27826068 [0,0,0,0,0,0|3,0,0]=3 101 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [0,0,0,0,0,0|1,0,0]=1 102 B9R0.1 COC(=O)CNCC(C)C Amb6686983 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.1 COC(=O)CNCC(C)O Amb9247006 [0,0,0,0,0,0|2,0,1]=3 104 B9R0.1 COC(=O)CNCC(F)F Amb18179465 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.1 COC(=O)CNCC(F)F Amb33204438 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.1 COC(=O)CNCN(C)C Amb28041215 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [0,0,0,0,0,0|1,0,0]=1 108 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [0,0,0,0,0,0|2,0,0]=2 109 B9R0.1 COC(=O)COCC(C)C Amb9206382 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [0,0,0,0,0,0|1,0,0]=1 111 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [0,0,0,0,0,0|2,0,0]=2 112 B9R0.1 COC(=O)CSCC(C)C Amb839626 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.1 COC(=O)CSCC(C)N Amb27770371 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.1 COC(=O)CSCC(C)O Amb18792574 [0,0,0,0,0,0|2,0,1]=3 115 B9R0.1 COC(=O)C\C=C\C(C)=O Amb25205440 [0,0,0,0,0,0|1,0,2]=3 116 B9R0.1 COC(=O)C\C=C\C(C)O Amb27756374 [0,0,0,0,0,0|1,0,3]=4 117 B9R0.1 COC(=O)C\C=C\[C@@H](C)O Amb28321357 [0,0,0,0,0,0|1,0,3]=4 118 B9R0.1 COC(=O)C\N=C\C(C)=O Amb28052024 [0,0,0,0,0,0|2,0,1]=3 119 B9R0.1 COC(=O)NCC=C(Cl)Cl Amb35690708 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [0,0,0,0,0,0|1,0,0]=1 121 B9R0.1 COC(=O)NCC[C@H](C)O Amb27663109 [0,0,0,0,0,0|2,0,1]=3 122 B9R0.1 COC(=O)N\C=C/C(C)=O Amb27627638 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.1 COC(=O)N\C=C/C(N)=O Amb28341305 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.1 COC(=O)N\C=C\C(=O)Cl Amb27838039 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.1 COC(=O)N\N=C\C(=O)O Amb24427251 [0,0,0,0,0,0|2,0,1]=3 126 B9R0.1 COC(=O)OC#CC(C)=O Amb24415049 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [0,0,0,0,0,0|2,0,0]=2 128 B9R0.1 COC(=O)OCCC(C)C Amb27777595 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.1 COC(=O)\C=C/NC(C)=O Amb28067616 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.1 COC(=O)\C=C\CN(C)O Amb28349189 [0,0,0,0,0,0|2,0,2]=4 131 B9R0.1 COC(=O)\C=N\NC(N)=O Amb28050079 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.1 COC(=S)NCCC(N)=O Amb28126714 [0,0,0,0,0,0|2,1,0]=3 133 B9R0.1 COC(=S)N\N=C\C(=O)O Amb24100367 [0,0,0,0,0,0|2,1,1]=4 134 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [0,0,0,0,0,0|1,1,0]=2 135 B9R0.1 COC(C)CCCC(C)O Amb27833630 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.1 COC(C)CCNC(C)=O Amb27260083 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.1 COC(C)CCOC(C)=O Amb19958959 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.1 COC(C)OCCC(C)=O Amb27267196 [0,0,0,0,0,0|3,0,1]=4 139 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [0,0,0,0,0,0|2,0,0]=2 140 B9R0.1 CON(C)CCNC(C)=O Amb27822674 [0,0,0,0,0,0|4,0,0]=4 141 B9R0.1 CSC(=N)NCCC(=O)O Amb28193743 [0,0,0,0,0,0|2,1,0]=3 142 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.1 C\C=C(\C)CCCC(C)O Amb28050786 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.1 N=C(CN)NCCC(=O)O Amb28346899 [0,0,0,0,0,0|4,0,0]=4 145 B9R0.1 NC(=O)CCNC(=O)CBr Amb27786158 [0,0,0,0,0,0|4,0,0]=4 146 B9R0.1 NC(=O)CCNC(=O)CCl Amb9415901 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.1 NC(=O)CCNC(=O)CS Amb27981235 [0,0,0,0,0,0|4,0,0]=4 148 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [0,0,0,0,0,0|4,0,0]=4 149 B9R0.1 NC(=O)CSCC(=O)NO Amb27764593 [0,0,0,0,0,0|4,0,0]=4 150 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [0,0,0,0,0,0|2,0,0]=2 152 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [0,0,0,0,0,0|3,0,0]=3 153 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [0,0,0,0,0,0|3,0,0]=3 154 B9R0.1 NCC(=O)ONCC(=O)O Amb27625948 [0,0,0,0,0,0|4,0,0]=4 155 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.1 N\C(CNCC(=O)O)=N/O Amb27881601 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.1 N\N=C(/N)NCCC(=O)O Amb24682101 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [0,0,0,0,0,0|2,0,0]=2 160 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [0,0,0,0,0,0|2,0,0]=2 161 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [0,0,0,0,0,0|3,0,0]=3 163 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [0,0,0,0,0,0|3,0,0]=3 165 B9R0.1 O=C(O)CCS\C(Cl)=C\Cl Amb27797305 [0,0,0,0,0,0|4,0,0]=4 166 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.6 C#CCCCC(=O)CC Amb27837514 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.6 C#CCCCC(=O)NC Amb27482425 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.6 C#CCCCC(=O)OC Amb2721693 [1,0,0,0,0,0|1,0,1]=3 170 B8R0.6 C#CCCCC(=O)SC Amb27457790 [1,0,0,0,0,0|1,1,1]=4 171 B8R0.6 C#CCCNC(=O)OC Amb24477847 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.6 C#CCNCC(=O)OC Amb6706474 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.6 C#CCOCC(=O)OC Amb9208653 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.6 C=C(CC)CCCCO Amb25057130 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.6 C=C(CCCCCl)OC Amb27470874 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.6 C=C=CCCC(=O)OC Amb10605302 [1,0,0,0,0,0|1,0,2]=4 177 B8R0.6 C=CC(=C)CCCC=O Amb18642214 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.6 C=CCCCC(=O)CBr Amb27966828 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.6 C=CCCCC(=O)CC Amb27249620 [1,0,0,0,0,0|2,0,0]=3 180 B8R0.6 C=CCCCC(=O)OC Amb22730759 [1,0,0,0,0,0|1,0,0]=2 181 B8R0.6 C=CCCCN(C)OC Amb27806445 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.6 C=CCCNC(=O)NC Amb27883334 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.6 C=CCNCC(=O)OC Amb6706546 [1,0,0,0,0,0|2,0,0]=3 184 B8R0.6 C=CCOCC(=O)CC Amb27181141 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.6 C=CCOCC(=O)OC Amb7793827 [1,0,0,0,0,0|2,0,0]=3 186 B8R0.6 C=CCONC(=O)OC Amb27476433 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.6 C=CCSCC(=O)CC Amb27856651 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.6 C=COCCC(=O)OC Amb27394977 [1,0,0,0,0,0|2,0,0]=3 189 B8R0.6 C=C\C=C\CC(=O)OC Amb32675209 [1,0,0,0,0,0|1,0,2]=4 190 B8R0.6 CCC(=O)CCCCO Amb27867195 [1,0,0,0,0,0|1,0,1]=3 191 B8R0.6 CCC(=O)CSCCO Amb4165967 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.6 CCC(=O)NCCC=O Amb17102166 [1,0,0,0,0,0|2,0,0]=3 193 B8R0.6 CCC(=O)NCCCO Amb5797471 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.6 CCC(=O)OCCCO Amb28138647 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.6 CCC(C)CCCC=O Amb18642680 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.6 CCCCCC(=O)CC Amb8513554 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.6 CCCCCC(=O)OC Amb6608968 [1,0,0,0,0,0|1,0,1]=3 198 B8R0.6 CCCCNC(=O)OC Amb3364701 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.6 CCCCOC(=O)OC Amb25921901 [1,0,0,0,0,0|2,0,1]=4 200 B8R0.6 CCCNCC(=O)OC Amb28934926 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.6 CCCNCC(=O)OC Amb6687123 [1,0,0,0,0,0|2,0,1]=4 202 B8R0.6 CCCSCC(=O)OC Amb7753194 [1,0,0,0,0,0|2,0,1]=4 203 B8R0.6 CCNCCC(=O)OC Amb6739987 [1,0,0,0,0,0|2,0,1]=4 204 B8R0.6 CCOCCC(=O)OC Amb7773814 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.6 CCSCCC(=O)OC Amb4016403 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.6 CC\C(C)=C\CCC=O Amb28131737 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.6 CNC(=O)CCCCBr Amb17235862 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.6 CNC(=O)CCCCN Amb27220816 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.6 CNC(=O)CCCCO Amb17231874 [1,0,0,0,0,0|1,0,1]=3 210 B8R0.6 CNC(=O)CCCON Amb27230783 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.6 CNC(=O)CCCSC Amb18411875 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.6 CNC(=O)COCCO Amb28285253 [1,0,0,0,0,0|2,0,1]=4 213 B8R0.6 CNC(=O)NCCCO Amb27161587 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.6 CNC(=S)SCCC=O Amb27790916 [1,0,0,0,0,0|2,1,0]=4 215 B8R0.6 CNCCCC(=O)NC Amb18303609 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.6 CNCCCC(=O)NC Amb22098814 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.6 CNCCCC(=O)OC Amb7969745 [1,0,0,0,0,0|2,0,0]=3 218 B8R0.6 CNCCCC(=O)OC Amb8841493 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.6 COC(=N)CCCCCl Amb32941935 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.6 COC(=N)COCCO Amb27857878 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.6 COC(=O)C#CCCO Amb22230912 [1,0,0,0,0,0|0,0,3]=4 222 B8R0.6 COC(=O)CC#CCO Amb28321358 [1,0,0,0,0,0|0,0,3]=4 223 B8R0.6 COC(=O)CC=C=CBr Amb28195545 [1,0,0,0,0,0|1,0,2]=4 224 B8R0.6 COC(=O)CCCC#N Amb8961157 [1,0,0,0,0,0|1,0,1]=3 225 B8R0.6 COC(=O)CCCCBr Amb3940220 [1,0,0,0,0,0|1,0,1]=3 226 B8R0.6 COC(=O)CCCCCl Amb3940767 [1,0,0,0,0,0|1,0,1]=3 227 B8R0.6 COC(=O)CCCCI Amb4018545 [1,0,0,0,0,0|1,0,1]=3 228 B8R0.6 COC(=O)CCCCN Amb13951283 [1,0,0,0,0,0|1,0,1]=3 229 B8R0.6 COC(=O)CCCCN Amb18642844 [1,0,0,0,0,0|1,0,1]=3 230 B8R0.6 COC(=O)CCCCO Amb22641583 [1,0,0,0,0,0|0,0,1]=2 231 B8R0.6 COC(=O)CCCCS Amb27218229 [1,0,0,0,0,0|0,1,1]=3 232 B8R0.6 COC(=O)CCCON Amb25266351 [1,0,0,0,0,0|2,0,0]=3 233 B8R0.6 COC(=O)CCCON Amb32753844 [1,0,0,0,0,0|2,0,0]=3 234 B8R0.6 COC(=O)CCN=C=O Amb3905408 [1,0,0,0,0,0|1,0,1]=3 235 B8R0.6 COC(=O)CCN=C=S Amb520874 [1,0,0,0,0,0|1,1,1]=4 236 B8R0.6 COC(=O)CCN=[N+]=[N-] Amb22900901 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.6 COC(=O)CCSC#N Amb27624712 [1,0,0,0,0,0|2,0,1]=4 238 B8R0.6 COC(=O)CC\C=C\Br Amb26433263 [1,0,0,0,0,0|1,0,1]=3 239 B8R0.6 COC(=O)CNCC#N Amb6707511 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.6 COC(=O)CNCCF Amb27175508 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.6 COC(=O)CNCCN Amb27755951 [1,0,0,0,0,0|2,0,1]=4 242 B8R0.6 COC(=O)CNCCS Amb28285258 [1,0,0,0,0,0|1,1,1]=4 243 B8R0.6 COC(=O)COCCBr Amb27657286 [1,0,0,0,0,0|2,0,1]=4 244 B8R0.6 COC(=O)COCCCl Amb8389878 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.6 COC(=O)COCCN Amb24401799 [1,0,0,0,0,0|2,0,1]=4 246 B8R0.6 COC(=O)COCCN Amb33495145 [1,0,0,0,0,0|2,0,1]=4 247 B8R0.6 COC(=O)COCCO Amb24113538 [1,0,0,0,0,0|1,0,1]=3 248 B8R0.6 COC(=O)CSCCN Amb19268671 [1,0,0,0,0,0|2,0,1]=4 249 B8R0.6 COC(=O)CSCCN Amb6272538 [1,0,0,0,0,0|2,0,1]=4 250 B8R0.6 COC(=O)CSCCO Amb9245011 [1,0,0,0,0,0|1,0,1]=3 251 B8R0.6 COC(=O)NCCC#N Amb28049746 [1,0,0,0,0,0|2,0,1]=4 252 B8R0.6 COC(=O)NCCCF Amb27968335 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.6 COC(=O)NCOC=N Amb27413109 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.6 COC(=O)N\C=C/C=O Amb27636964 [1,0,0,0,0,0|1,0,2]=4 255 B8R0.6 COC(=O)N\C=C\C=O Amb18642693 [1,0,0,0,0,0|1,0,2]=4 256 B8R0.6 COC(=O)OCCCF Amb24088642 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.6 COC(=O)\C=C\CCO Amb26347391 [1,0,0,0,0,0|0,0,3]=4 258 B8R0.6 COC(C)CCCC=O Amb28285296 [1,0,0,0,0,0|1,0,1]=3 259 B8R0.6 COCCCC(=O)OC Amb8952328 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.6 COCCNC(=O)OC Amb3361553 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.6 COCCOC(=O)OC Amb26026830 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.6 COCSCC(=O)OC Amb27972043 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.6 CONCCC(=O)OC Amb26511384 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.6 C\C=C(/C)CCCCO Amb28385373 [1,0,0,0,0,0|2,0,1]=4 265 B8R0.6 C\C=C\CCC(=O)NC Amb25339401 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.6 [C-]#[N+]CCCC(=O)OC Amb2688933 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.7 C#CCCCCC(=O)O Amb2721485 [1,0,0,0,0,0|1,0,2]=4 268 B8R0.7 C#C\C=C\CCC(=O)O Amb10605297 [1,0,0,0,0,0|1,0,2]=4 269 B8R0.7 C=CCCCCC(=O)O Amb6299578 [1,0,0,0,0,0|1,0,2]=4 270 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [1,0,0,0,0,0|1,0,2]=4 271 B8R0.7 CC#CCCCC(=O)O Amb28046337 [1,0,0,0,0,0|1,0,1]=3 272 B8R0.7 CC#CCCCC(N)=O Amb27853693 [1,0,0,0,0,0|2,0,1]=4 273 B8R0.7 CC#CCNCC(=O)O Amb28410306 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.7 CC(=O)CCC\C=C\Cl Amb26336040 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.7 CCC#CCCC(=O)O Amb28046178 [1,0,0,0,0,0|1,0,2]=4 276 B8R0.7 CCCCCCC(=O)Cl Amb3940244 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.7 CCCCCCC(=O)O Amb34915914 [1,0,0,0,0,0|1,0,1]=3 278 B8R0.7 CCCCCCC(=O)O Amb3499439 [1,0,0,0,0,0|1,0,1]=3 279 B8R0.7 CCCCCCC(=O)[O-] Amb22729026 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.7 CCCCCCC(C)=O Amb6891961 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.7 CCCCCCC(N)=O Amb8858816 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.7 CCCCNCC(=O)O Amb7766471 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.7 CCCCOCC(=O)O Amb8514871 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.7 CCCCSCC(=O)O Amb1138789 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.7 CCCNCCC(=O)O Amb18633174 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.7 CCCNCCC(=O)O Amb2372065 [1,0,0,0,0,0|2,0,1]=4 287 B8R0.7 CCCOCCC(=O)O Amb8874502 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.7 CCNCCCC(=O)O Amb30585148 [1,0,0,0,0,0|2,0,0]=3 289 B8R0.7 CCNCCCC(=O)O Amb6253896 [1,0,0,0,0,0|2,0,0]=3 290 B8R0.7 CCNCCCC(N)=O Amb24709859 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.7 CCOCCCC(=O)O Amb6257602 [1,0,0,0,0,0|2,0,0]=3 292 B8R0.7 CCSCCCC(=O)O Amb6680204 [1,0,0,0,0,0|2,0,0]=3 293 B8R0.7 CCSCCCC(C)=O Amb9660283 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.7 CCSSCCC(=O)O Amb27837279 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.7 CC\C=C/CCC(=O)O Amb25831265 [1,0,0,0,0,0|1,0,1]=3 296 B8R0.7 CC\C=C\CCC(=O)O Amb18642608 [1,0,0,0,0,0|1,0,1]=3 297 B8R0.7 CC\C=C\CCC(C)=O Amb24523649 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.7 CC\C=C\CCC(N)=O Amb27221048 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.7 CNCCCCC(=O)O Amb10605773 [1,0,0,0,0,0|1,0,1]=3 300 B8R0.7 CNCCCCC(=O)O Amb24340485 [1,0,0,0,0,0|1,0,1]=3 301 B8R0.7 CNCCCCC(N)=O Amb27780478 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.7 CNCCOCC(=O)O Amb18630741 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.7 COCC#CCC(=O)O Amb27663198 [1,0,0,0,0,0|0,0,3]=4 304 B8R0.7 COCCC#CC(=O)O Amb27392974 [1,0,0,0,0,0|0,0,3]=4 305 B8R0.7 COCCCCB(O)O Amb27230891 [1,0,0,0,0,0|1,0,2]=4 306 B8R0.7 COCCCCC(=O)O Amb9207785 [1,0,0,0,0,0|0,0,1]=2 307 B8R0.7 COCCCCC(C)=O Amb9659801 [1,0,0,0,0,0|1,0,1]=3 308 B8R0.7 COCCCCC(C)O Amb25235448 [1,0,0,0,0,0|1,0,2]=4 309 B8R0.7 COCCCCS(=O)Cl Amb32720517 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.7 COCCCCS(=O)[O-] Amb32754745 [1,0,0,0,0,0|1,0,2]=4 311 B8R0.7 COCCCCS(N)=O Amb32720518 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.7 COCCCC[C@@H](C)O Amb33377490 [1,0,0,0,0,0|1,0,2]=4 313 B8R0.7 COCCCC[C@H](C)O Amb33377491 [1,0,0,0,0,0|1,0,2]=4 314 B8R0.7 COCCCC[N+](=O)[O-] Amb33377457 [1,0,0,0,0,0|1,0,2]=4 315 B8R0.7 COCCCNC(=O)Cl Amb27791959 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.7 COCCCNC(C)=O Amb3358083 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.7 COCCCNC(N)=O Amb1105274 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.7 COCCCOC(C)=O Amb22732978 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.7 COCCNCC(=O)O Amb19514667 [1,0,0,0,0,0|1,0,1]=3 320 B8R0.7 COCCNCC(=O)O Amb7766415 [1,0,0,0,0,0|1,0,1]=3 321 B8R0.7 COCCNCC(N)=O Amb13951972 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.7 COCCNCC(N)=O Amb6707121 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.7 COCCOCC(=O)O Amb2721259 [1,0,0,0,0,0|1,0,1]=3 324 B8R0.7 COCCOCC(C)=O Amb9665444 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.7 COCCSCC(=O)O Amb6245777 [1,0,0,0,0,0|1,0,1]=3 326 B8R0.7 COCC\C=C\C(=O)O Amb33080389 [1,0,0,0,0,0|0,0,3]=4 327 B8R0.7 COCOCCC(=O)O Amb27784860 [1,0,0,0,0,0|1,0,1]=3 328 B8R0.7 COCSCCC(=O)O Amb27263382 [1,0,0,0,0,0|1,0,1]=3 329 B8R0.7 CO\C=C\C=C\C(=O)O Amb27784611 [1,0,0,0,0,0|0,0,3]=4 330 B8R0.7 CSCCCCC(=O)O Amb17503764 [1,0,0,0,0,0|0,1,1]=3 331 B8R0.7 CSCCCCC(C)=O Amb27815140 [1,0,0,0,0,0|1,1,1]=4 332 B8R0.7 CSCCCCC(N)=O Amb27662727 [1,0,0,0,0,0|1,1,1]=4 333 B8R0.7 CSCCNCC(=O)O Amb24401934 [1,0,0,0,0,0|1,1,1]=4 334 B8R0.7 CSCCNCC(=O)O Amb28934977 [1,0,0,0,0,0|1,1,1]=4 335 B8R0.7 CSCCOCC(=O)O Amb27392229 [1,0,0,0,0,0|1,1,1]=4 336 B8R0.7 CSCCSCC(=O)O Amb27964765 [1,0,0,0,0,0|1,1,1]=4 337 B8R0.7 CSSCCCC(=O)O Amb25269470 [1,0,0,0,0,0|1,1,0]=3 338 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [1,0,0,0,0,0|1,0,2]=4 339 B8R0.7 C\C=C\CC#CC(=O)O Amb24599409 [1,0,0,0,0,0|1,0,2]=4 340 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [1,0,0,0,0,0|1,0,0]=2 341 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.7 C\C=C\CCNC(N)=O Amb27845871 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [1,0,0,0,0,0|2,0,0]=3 344 B8R0.7 C\C=C\C\C=C\C(=O)O Amb27440048 [1,0,0,0,0,0|1,0,2]=4 345 B8R0.7 C\C=C\OCCC(C)=O Amb24631670 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.7 N#CCCCCC(=O)O Amb17593332 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.7 N#C\C=C\CCC(=O)O Amb27785050 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.7 NCCCCCC(=O)O Amb17607928 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.7 NCCCCCC(=O)O Amb1905625 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.7 NOCCCCC(=O)O Amb27596055 [1,0,0,0,0,0|1,0,1]=3 351 B8R0.7 O=C(O)CCCCCBr Amb2081955 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.7 O=C(O)CCCCCCl Amb18796646 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.7 O=C(O)CCCCCF Amb26063796 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.7 O=C(O)CCCCCI Amb22736492 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.7 O=C(O)CCCCCO Amb8515991 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.7 O=C(O)CCCCNO Amb28410171 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.7 O=C(O)CCCN=C=S Amb26330552 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.7 O=C(O)COC\C=C\Cl Amb27450817 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.7 O=C=NCCCC(=O)O Amb26014000 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.7 O=CCCCCC(=O)O Amb18642763 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.7 O=CNCCCC(=O)O Amb18305404 [1,0,0,0,0,0|3,0,0]=4 362 B8R0.7 O=COCCCC(=O)O Amb27217713 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.7 [N-]=[N+]=NCCCC(=O)O Amb10575820 [1,0,0,0,0,0|3,0,0]=4 365 B8R0.28 C=C(C)CCCC(=C)C Amb22228385 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [1,0,0,0,0,0|1,0,0]=2 367 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.28 C=C(C)CCNC(C)=O Amb27780923 [1,0,0,0,0,0|3,0,0]=4 370 B8R0.28 C=C(C)CCOC(C)=O Amb4035107 [1,0,0,0,0,0|3,0,0]=4 371 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [1,0,0,0,0,0|2,0,0]=3 372 B8R0.28 C=C(C)CSCC(C)=O Amb27877304 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.28 C=C(C)C\C=C\C(=O)O Amb27602149 [1,0,0,0,0,0|1,0,2]=4 374 B8R0.28 C=C(C)\C=C\CC(=O)O Amb18642409 [1,0,0,0,0,0|1,0,2]=4 375 B8R0.28 C=C(Cl)CCCC(N)=O Amb27253854 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.28 C=C(Cl)CSCC(C)=O Amb28205790 [1,0,0,0,0,0|3,0,0]=4 377 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [1,0,0,0,0,0|1,0,1]=3 378 B8R0.28 CC(=N)NCCC(N)=O Amb28049611 [1,0,0,0,0,0|3,0,0]=4 379 B8R0.28 CC(=O)CCC=C(C)C Amb533052 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|0,0,0]=1 381 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|1,0,0]=2 382 B8R0.28 CC(=O)CCCC(C)C Amb33532191 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.28 CC(=O)CCCC(C)N Amb27483216 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|1,0,0]=2 385 B8R0.28 CC(=O)CCCN(C)C Amb2778944 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [1,0,0,0,0,0|1,0,1]=3 387 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [1,0,0,0,0,0|2,0,0]=3 388 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [1,0,0,0,0,0|2,0,0]=3 389 B8R0.28 CC(=O)CC\C=C(\C)Cl Amb17593664 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.28 CC(=O)CNCC(C)O Amb24589662 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [1,0,0,0,0,0|1,0,0]=2 392 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [1,0,0,0,0,0|1,0,1]=3 393 B8R0.28 CC(=O)CSCC(C)O Amb27215204 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [1,0,0,0,0,0|2,0,0]=3 395 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [1,0,0,0,0,0|1,0,0]=2 396 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.28 CC(=O)NCCC(N)=S Amb17232012 [1,0,0,0,0,0|2,1,0]=4 398 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.28 CC(=O)NCNC(C)=O Amb8485453 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.28 CC(=O)NCOC(C)=O Amb27810126 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [1,0,0,0,0,0|2,0,0]=3 402 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [1,0,0,0,0,0|1,0,0]=2 403 B8R0.28 CC(=O)OCCC(C)O Amb26357497 [1,0,0,0,0,0|2,0,1]=4 404 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [1,0,0,0,0,0|2,0,0]=3 405 B8R0.28 CC(=O)OCCS(=O)Cl Amb32720402 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.28 CC(=O)OCCS(=O)[O-] Amb32754519 [1,0,0,0,0,0|2,0,1]=4 407 B8R0.28 CC(=O)OCCS(N)=O Amb32720403 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.28 CC(=O)OCC[C@H](C)O Amb28192682 [1,0,0,0,0,0|2,0,1]=4 409 B8R0.28 CC(=O)OCOC(=O)Cl Amb26908239 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.28 CC(=O)OCOC(C)=O Amb9787622 [1,0,0,0,0,0|3,0,0]=4 411 B8R0.28 CC(=O)O\N=C/C(=O)O Amb27593741 [1,0,0,0,0,0|2,0,1]=4 412 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [1,0,0,0,0,0|2,0,0]=3 413 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [1,0,0,0,0,0|1,0,0]=2 414 B8R0.28 CC(=O)S\C=C\C(=O)O Amb26969288 [1,0,0,0,0,0|1,0,2]=4 415 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [1,0,0,0,0,0|0,0,2]=3 416 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [1,0,0,0,0,0|1,0,1]=3 417 B8R0.28 CC(C)=NNCC(=O)O Amb27958222 [1,0,0,0,0,0|3,0,0]=4 418 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [1,0,0,0,0,0|1,0,1]=3 419 B8R0.28 CC(C)CNCC(=O)O Amb19373106 [1,0,0,0,0,0|2,0,1]=4 420 B8R0.28 CC(C)CNCC(=O)O Amb7766417 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.28 CC(C)COCC(=O)O Amb2608476 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.28 CC(C)CSCC(=O)O Amb1134811 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.28 CC(C)NCCC(=O)O Amb528114 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.28 CC(Cl)CCCC(=O)Cl Amb26491427 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.28 CC(Cl)CCCC(N)=O Amb27869185 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [1,0,0,0,0,0|1,0,1]=3 430 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [1,0,0,0,0,0|1,0,1]=3 431 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [1,0,0,0,0,0|1,0,1]=3 432 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [1,0,0,0,0,0|0,0,2]=3 434 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [1,0,0,0,0,0|0,0,3]=4 435 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [1,0,0,0,0,0|1,0,2]=4 436 B8R0.28 CC(O)COCC(=O)O Amb27968624 [1,0,0,0,0,0|1,0,2]=4 437 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [1,0,0,0,0,0|1,0,2]=4 438 B8R0.28 CN(C)CCCC(=O)Cl Amb27450969 [1,0,0,0,0,0|3,0,0]=4 439 B8R0.28 CN(C)CCCC(=O)Cl Amb32409435 [1,0,0,0,0,0|3,0,0]=4 440 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [1,0,0,0,0,0|2,0,0]=3 442 B8R0.28 CN(C)CCCC(N)=O Amb25887462 [1,0,0,0,0,0|3,0,0]=4 443 B8R0.28 CS(=O)CCNC(=O)Cl Amb35633190 [1,0,0,0,0,0|3,0,0]=4 444 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [1,0,0,0,0,0|2,0,0]=3 445 B8R0.28 N=C(N)CSCC(=O)O Amb28040821 [1,0,0,0,0,0|3,0,0]=4 446 B8R0.28 N=C(N)NCCC(=O)O Amb3940732 [1,0,0,0,0,0|3,0,0]=4 447 B8R0.28 N=C(N)SCCC(=O)O Amb1043190 [1,0,0,0,0,0|3,0,0]=4 448 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [1,0,0,0,0,0|1,0,0]=2 449 B8R0.28 NC(=O)CCC[N+](=O)[O-] Amb22432425 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.28 NC(=O)CCSC(N)=O Amb28045967 [1,0,0,0,0,0|3,0,0]=4 451 B8R0.28 NC(=O)CNCC(N)=O Amb6714597 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.28 NC(=O)COCC(N)=O Amb4442013 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|2,0,0]=3 455 B8R0.28 NC(=O)CSCC(N)=O Amb6374270 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [1,0,0,0,0,0|2,0,0]=3 457 B8R0.28 NC(=O)NOCC(=O)O Amb28285979 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [1,0,0,0,0,0|2,0,0]=3 459 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [1,0,0,0,0,0|1,1,0]=3 460 B8R0.28 NC(=S)NCCC(=O)O Amb27815302 [1,0,0,0,0,0|2,1,0]=4 461 B8R0.28 NC(=S)SCCC(=O)O Amb4007391 [1,0,0,0,0,0|2,1,0]=4 462 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [1,0,0,0,0,0|2,0,0]=3 463 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.28 O=C(O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,0|0,0,3]=4 465 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [1,0,0,0,0,0|0,0,0]=1 466 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.28 O=C(O)CCCN(Cl)Cl Amb28313437 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [1,0,0,0,0,0|1,0,1]=3 469 B8R0.28 O=C(O)CCO[N+](=O)[O-] Amb21953424 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [1,0,0,0,0,0|1,0,0]=2 471 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [1,0,0,0,0,0|1,0,0]=2 472 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [1,0,0,0,0,0|1,0,0]=2 473 B8R0.28 O=C(O)\C=C/CC(=O)O Amb27882014 [1,0,0,0,0,0|0,0,2]=3 474 B8R0.28 O=C(O)\C=C\CC(=O)O Amb1154189 [1,0,0,0,0,0|0,0,2]=3 475 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [1,0,0,0,0,0|1,0,1]=3 476 B10R0.3 C=C(C)CCCC(=O)OCC Amb6298922 [0,1,0,0,0,0|2,0,0]=3 477 B10R0.3 C=C(Cl)CCCC(=O)OCC Amb6298914 [0,1,0,0,0,0|2,0,0]=3 478 B10R0.3 CCCC(=O)CCCC(=O)O Amb6305240 [0,1,0,0,0,0|1,0,0]=2 479 B10R0.3 CCCC(=O)NCCC(=O)O Amb5741938 [0,1,0,0,0,0|2,0,0]=3 480 B10R0.3 CCCC(C)CCCC(=O)O Amb20669051 [0,1,0,0,0,0|2,0,1]=4 481 B10R0.3 CCNC(=O)CCCC(=O)O Amb3365014 [0,1,0,0,0,0|1,0,0]=2 482 B10R0.3 CCNC(=O)NCCC(=O)O Amb1136873 [0,1,0,0,0,0|2,0,0]=3 483 B10R0.3 CCOC(=O)CCCC(=O)Cl Amb6608947 [0,1,0,0,0,0|1,0,0]=2 484 B10R0.3 CCOC(=O)CCCC(=O)O Amb3939878 [0,1,0,0,0,0|0,0,0]=1 485 B10R0.3 CCOC(=O)CCCC(C)=O Amb4605993 [0,1,0,0,0,0|1,0,0]=2 486 B10R0.3 CCOC(=O)CCCC(C)C Amb33734423 [0,1,0,0,0,0|2,0,1]=4 487 B10R0.3 CCOC(=O)CCCC(C)N Amb33803847 [0,1,0,0,0,0|2,0,1]=4 488 B10R0.3 CCOC(=O)CCCC(C)O Amb30982937 [0,1,0,0,0,0|1,0,1]=3 489 B10R0.3 CCOC(=O)CCCN(C)C Amb2782901 [0,1,0,0,0,0|3,0,0]=4 490 B10R0.3 CCOC(=O)CCCS(=O)Cl Amb32720324 [0,1,0,0,0,0|2,0,0]=3 491 B10R0.3 CCOC(=O)CCCS(=O)[O-] Amb32754209 [0,1,0,0,0,0|1,0,1]=3 492 B10R0.3 CCOC(=O)CCCS(N)=O Amb32720325 [0,1,0,0,0,0|2,0,0]=3 493 B10R0.3 CCOC(=O)CCNC(N)=O Amb4035329 [0,1,0,0,0,0|2,0,0]=3 494 B10R0.3 CCOC(=O)CNCC(N)=O Amb6714658 [0,1,0,0,0,0|2,0,0]=3 495 B10R0.3 CCOC(=O)CNNC(C)=O Amb24103449 [0,1,0,0,0,0|3,0,0]=4 496 B10R0.3 CCOC(=O)NCCC(=O)O Amb6247333 [0,1,0,0,0,0|1,0,0]=2 497 B10R0.3 CCOC(=O)N\N=C\C(=O)O Amb26660453 [0,1,0,0,0,0|2,0,1]=4 498 B10R0.3 CCOC(C)CCCC(=O)O Amb33425000 [0,1,0,0,0,0|1,0,1]=3 499 B10R0.3 CN(CCN)CCCC(=O)O Amb32684701 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.3 CN(CCN)CCCC(=O)O Amb32684702 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.3 CN(CCO)CCCC(=O)O Amb5767540 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.3 COCC(=O)NCCC(=O)O Amb1121155 [0,1,0,0,0,0|1,0,0]=2 503 B10R0.3 CONC(=O)CCNC(C)=O Amb16970858 [0,1,0,0,0,0|2,0,0]=3 504 B10R0.3 C\C=C\C(=O)NCCC(=O)O Amb9722353 [0,1,0,0,0,0|2,0,0]=3 505 B10R0.3 C\C=C\C(=O)NOCC(=O)O Amb27269915 [0,1,0,0,0,0|3,0,0]=4 506 B10R0.3 NCCC(=O)NCCC(=O)O Amb533809 [0,1,0,0,0,0|2,0,0]=3 507 B10R0.3 O=C(O)CCNC(=O)\C=C\Cl Amb7969475 [0,1,0,0,0,0|2,0,1]=4 508 B10R0.44 C=C(C)CC(C)NC(=O)OC Amb27673623 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.44 C=C(CC(=O)O)C\C(C)=C\C Amb27990188 [0,1,0,0,0,0|2,0,1]=4 510 B10R0.44 CCC(=O)NC(C)CC(C)=O Amb28326445 [0,1,0,0,0,0|3,0,0]=4 511 B10R0.44 CCC(C)CC(O)CC(=O)O Amb33036189 [0,1,0,0,0,0|2,0,1]=4 512 B10R0.44 CCC(N)CC(C)CC(=O)O Amb32669801 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.44 CNC(=O)CN(C)CC(N)=O Amb18800097 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.44 CNC(=O)CS(=O)CC(=O)O Amb18796112 [0,1,0,0,0,0|2,0,0]=3 515 B10R0.44 CNC(=O)NC(C)CC(=O)O Amb18290552 [0,1,0,0,0,0|2,0,0]=3 516 B10R0.44 COC(=O)CC(=O)CC(C)=O Amb18048464 [0,1,0,0,0,0|1,0,1]=3 517 B10R0.44 COC(=O)CC(=O)\C=C(\C)O Amb26660707 [0,1,0,0,0,0|1,0,2]=4 518 B10R0.44 COC(=O)CC(C)CC(=O)O Amb2689808 [0,1,0,0,0,0|0,0,0]=1 519 B10R0.44 COC(=O)CC(C)CC(C)=O Amb32668276 [0,1,0,0,0,0|1,0,0]=2 520 B10R0.44 COC(=O)CC(C)C[N+](=O)[O-] Amb20623014 [0,1,0,0,0,0|1,0,1]=3 521 B10R0.44 COC(=O)CC(C)NC(=N)N Amb27266639 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.44 COC(=O)CC(C)NC(N)=O Amb27266623 [0,1,0,0,0,0|2,0,0]=3 523 B10R0.44 COC(=O)CC(C)NC(N)=S Amb27266634 [0,1,0,0,0,0|2,1,0]=4 524 B10R0.44 COC(=O)CC(N)CC(C)C Amb18830329 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.44 COC(=O)CC(O)CC(C)C Amb33171598 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.44 COC(=O)CN(C)CC(C)O Amb18788067 [0,1,0,0,0,0|2,0,1]=4 527 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33621255 [0,1,0,0,0,0|0,0,0]=1 528 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33747103 [0,1,0,0,0,0|0,0,0]=1 529 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Amb33163986 [0,1,0,0,0,0|2,0,1]=4 530 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Amb33329083 [0,1,0,0,0,0|2,0,1]=4 531 B10R0.44 COC(=O)C[C@@H](O)CC(C)C Amb32953664 [0,1,0,0,0,0|2,0,1]=4 532 B10R0.44 COC(=O)C[C@H](N)CC(C)C Amb33329288 [0,1,0,0,0,0|2,0,1]=4 533 B10R0.44 COC(=O)C[C@H](N)CC(C)C Amb33329289 [0,1,0,0,0,0|2,0,1]=4 534 B10R0.44 COC(=O)C[C@H](O)CC(C)C Amb33448899 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.44 COC(=O)C\C(C)=C\C(C)=O Amb27673551 [0,1,0,0,0,0|1,0,2]=4 536 B10R0.44 COC(=O)C\C(O)=C\C(C)=O Amb27673810 [0,1,0,0,0,0|1,0,2]=4 537 B10R0.44 COC(=O)NC(=O)CC(C)=O Amb28074002 [0,1,0,0,0,0|2,0,1]=4 538 B10R0.44 COC(=O)NC(C)CC(=N)N Amb27987112 [0,1,0,0,0,0|3,0,0]=4 539 B10R0.44 COC(=O)NC(C)CC(C)=O Amb27271970 [0,1,0,0,0,0|2,0,0]=3 540 B10R0.44 COC(=O)NC(C)CC(C)O Amb27818477 [0,1,0,0,0,0|2,0,1]=4 541 B10R0.44 COC(=O)\C=C(/C)CC(C)=O Amb27672315 [0,1,0,0,0,0|1,0,2]=4 542 B10R0.44 CSC(=S)N[C@H](C)CC(=O)O Amb27988483 [0,1,0,0,0,0|1,2,0]=4 543 B10R0.57 C#CC(=O)N(C)CCC(=O)O Amb18984978 [0,1,0,0,0,0|2,0,1]=4 544 B10R0.57 C=C(C)CCC(N)C(=O)OC Amb33309178 [0,1,0,0,0,0|2,0,0]=3 545 B10R0.57 C=C(COC(C)=O)C(=O)OC Amb22496541 [0,1,0,0,0,0|2,0,1]=4 546 B10R0.57 CCC(=O)N(C)CCC(=O)O Amb17400039 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.57 CCC(C)C(N)CCC(=O)O Amb33172378 [0,1,0,0,0,0|2,0,1]=4 548 B10R0.57 CC[C@H](C)[C@@H](N)CCC(=O)O Amb30526641 [0,1,0,0,0,0|2,0,1]=4 549 B10R0.57 CNC(=O)C(C)NCC(=O)O Amb9325887 [0,1,0,0,0,0|2,0,0]=3 550 B10R0.57 CNC(=O)C(C)SCC(=O)O Amb9203226 [0,1,0,0,0,0|2,0,0]=3 551 B10R0.57 CNC(=O)C(N)CCC(=O)O Amb27987066 [0,1,0,0,0,0|1,0,0]=2 552 B10R0.57 CNC(=O)N(C)CCC(=O)O Amb18977475 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.57 CNC(=O)[C@@H](N)CCC(=O)O Amb27671844 [0,1,0,0,0,0|1,0,0]=2 554 B10R0.57 COC(=O)C(C)CNC(C)=O Amb25385897 [0,1,0,0,0,0|2,0,0]=3 555 B10R0.57 COC(=O)C(C)NNC(N)=O Amb26084075 [0,1,0,0,0,0|3,0,0]=4 556 B10R0.57 COC(=O)C(Cl)CSC(C)=O Amb33620490 [0,1,0,0,0,0|2,0,0]=3 557 B10R0.57 COC(=O)C(N)CC=C(C)C Amb26077073 [0,1,0,0,0,0|2,0,1]=4 558 B10R0.57 COC(=O)C(N)CC=C(Cl)Cl Amb33036714 [0,1,0,0,0,0|2,0,1]=4 559 B10R0.57 COC(=O)C(N)CCC(C)=O Amb32645698 [0,1,0,0,0,0|1,0,0]=2 560 B10R0.57 COC(=O)C(N)CCC(C)C Amb32645736 [0,1,0,0,0,0|2,0,1]=4 561 B10R0.57 COC(=O)C(N)CCC(C)C Amb33339193 [0,1,0,0,0,0|2,0,1]=4 562 B10R0.57 COC(=O)C(N)CCC(C)O Amb33065655 [0,1,0,0,0,0|1,0,1]=3 563 B10R0.57 COC(=O)C(N)CCC(N)=O Amb32752608 [0,1,0,0,0,0|1,0,0]=2 564 B10R0.57 COC(=O)C(N)CCN(C)C Amb18787991 [0,1,0,0,0,0|3,0,0]=4 565 B10R0.57 COC(=O)C(N)CCS(C)=O Amb18648234 [0,1,0,0,0,0|2,0,0]=3 566 B10R0.57 COC(=O)C(N)COC(C)=O Amb33803614 [0,1,0,0,0,0|2,0,0]=3 567 B10R0.57 COC(=O)C(O)CCC(C)C Amb33450138 [0,1,0,0,0,0|2,0,1]=4 568 B10R0.57 COC(=O)C(O)CCN(C)C Amb33271942 [0,1,0,0,0,0|3,0,0]=4 569 B10R0.57 COC(=O)C(O)CNC(C)=O Amb27672462 [0,1,0,0,0,0|2,0,0]=3 570 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O Amb8390399 [0,1,0,0,0,0|0,0,0]=1 571 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O Amb8629195 [0,1,0,0,0,0|1,0,0]=2 572 B10R0.57 COC(=O)[C@@H](N)CCS(C)=O Amb33802381 [0,1,0,0,0,0|2,0,0]=3 573 B10R0.57 COC(=O)[C@@H](N)CNC(C)=O Amb27990246 [0,1,0,0,0,0|2,0,0]=3 574 B10R0.57 COC(=O)[C@@H](N)CNC(N)=O Amb27989967 [0,1,0,0,0,0|2,0,0]=3 575 B10R0.57 COC(=O)[C@H](Cl)CNC(C)=O Amb27989995 [0,1,0,0,0,0|2,0,0]=3 576 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33801734 [0,1,0,0,0,0|0,0,0]=1 577 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33866552 [0,1,0,0,0,0|0,0,0]=1 578 B10R0.57 COC(=O)[C@H](N)CCC(=O)[O-] Amb34915024 [0,1,0,0,0,0|0,0,1]=2 579 B10R0.57 COC(=O)[C@H](N)CCC(C)C Amb31295689 [0,1,0,0,0,0|2,0,1]=4 580 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Amb8629196 [0,1,0,0,0,0|1,0,0]=2 581 B10R0.57 CON(C)C(=O)CCC(=O)O Amb9492311 [0,1,0,0,0,0|2,0,1]=4 582 B10R0.57 NC(CCC(=O)O)C(=O)NO Amb27987067 [0,1,0,0,0,0|2,0,0]=3 583 B10R0.57 NNC(=O)C(N)CCC(=O)O Amb27987068 [0,1,0,0,0,0|2,0,0]=3 584 B10R0.57 NNC(=O)C(N)CCC(N)=O Amb27988668 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.59 C=CC(=O)NCCC(=O)OC Amb9531118 [0,1,0,0,0,0|2,0,0]=3 586 B10R0.59 CCC(=O)CCCC(=O)OC Amb17593954 [0,1,0,0,0,0|1,0,0]=2 587 B10R0.59 CNC(=N)NCCC(=O)OC Amb18182413 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.59 CNC(=O)CCCC(=O)NC Amb25384409 [0,1,0,0,0,0|2,0,0]=3 589 B10R0.59 CNC(=O)CCNC(=O)CS Amb28387087 [0,1,0,0,0,0|2,1,0]=4 590 B10R0.59 CNC(=O)CCNC(=O)NN Amb18800330 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.59 CNC(=O)CNCC(=O)NC Amb8938852 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.59 CNC(=O)COCC(=O)NC Amb22372031 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.59 CNC(=O)CSCC(=O)NC Amb27269993 [0,1,0,0,0,0|3,0,0]=4 594 B10R0.59 CNC(=O)CSC\C(C)=N\O Amb27272201 [0,1,0,0,0,0|3,0,0]=4 595 B10R0.59 CNC(=O)NCCC(=O)OC Amb27266771 [0,1,0,0,0,0|2,0,0]=3 596 B10R0.59 CNC(=O)NCC\C(N)=N\O Amb27465188 [0,1,0,0,0,0|3,0,0]=4 597 B10R0.59 COC(=O)C=C=CC(=O)OC Amb26990580 [0,1,0,0,0,0|0,0,3]=4 598 B10R0.59 COC(=O)CCCC(=O)OC Amb8513144 [0,1,0,0,0,0|0,0,0]=1 599 B10R0.59 COC(=O)CCNC(=O)CCl Amb5722346 [0,1,0,0,0,0|2,0,0]=3 600 B10R0.59 COC(=O)CCN\C(N)=N\N Amb28386852 [0,1,0,0,0,0|3,0,0]=4 601 B10R0.59 COC(=O)CNCC(=O)OC Amb2759492 [0,1,0,0,0,0|1,0,0]=2 602 B10R0.59 COC(=O)CNCC(=O)OC Amb6707561 [0,1,0,0,0,0|1,0,0]=2 603 B10R0.59 COC(=O)COCC(=O)OC Amb9787367 [0,1,0,0,0,0|1,0,0]=2 604 B10R0.59 COC(=O)CSCC(=O)OC Amb839594 [0,1,0,0,0,0|1,0,0]=2 605 B10R0.59 COC(=O)NCCC(=O)NN Amb27988674 [0,1,0,0,0,0|2,0,0]=3 606 B10R0.59 COC(=O)NCCC(=O)NO Amb27988901 [0,1,0,0,0,0|1,0,0]=2 607 B10R0.59 COC(=O)NCNC(=O)CCl Amb27990040 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.59 COC(=O)\C=C/NC(=O)OC Amb27754045 [0,1,0,0,0,0|1,0,2]=4 609 B10R0.59 COC(=O)\C=C\CC(=O)OC Amb13777320 [0,1,0,0,0,0|0,0,2]=3 610 B10R0.59 COC(=O)\C=C\NC(=O)OC Amb27841164 [0,1,0,0,0,0|1,0,2]=4 611 B10R0.59 NNC(=O)CCCC(=O)NN Amb841513 [0,1,0,0,0,0|3,0,0]=4 612 B10R0.59 O=C(CCCC(=O)NO)NO Amb25383708 [0,1,0,0,0,0|2,0,0]=3 613 B10R0.59 O=C(COCC(=O)NO)NO Amb27988714 [0,1,0,0,0,0|3,0,0]=4 614 B10R0.59 O=C(CSCC(=O)NO)NO Amb27271906 [0,1,0,0,0,0|3,0,0]=4 615 B10R0.60 CNC(=O)CCCS(C)(=O)=O Amb17954205 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.60 COC(=O)CCCP(=O)(O)O Amb22831922 [0,1,0,0,0,0|1,0,0]=2 617 B10R0.60 COC(=O)CCCS(=O)(=O)Cl Amb6254966 [0,1,0,0,0,0|1,0,1]=3 618 B10R0.60 COC(=O)CCCS(=O)(=O)F Amb32661387 [0,1,0,0,0,0|1,0,1]=3 619 B10R0.60 COC(=O)CCCS(C)(=O)=O Amb18181103 [0,1,0,0,0,0|1,0,1]=3 620 B10R0.60 COC(=O)CCCS(N)(=O)=O Amb18796421 [0,1,0,0,0,0|1,0,1]=3 621 B10R0.60 COC(=O)CCC[N+](C)(C)C Amb15691776 [0,1,0,0,0,0|3,0,0]=4 622 B10R0.60 COC(=O)CCC[N+](C)(C)C Amb8397224 [0,1,0,0,0,0|3,0,0]=4 623 B10R0.60 COC(=O)CCNS(C)(=O)=O Amb18186811 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.60 COC(=O)NCCS(C)(=O)=O Amb16971518 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.60 COC(=O)NCCS(N)(=O)=O Amb18796567 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.65 CCC(C)(C)CCCC(=O)O Amb16233621 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.65 CCS(=O)(=O)CCCC(=O)O Amb9303285 [0,1,0,0,0,0|2,0,0]=3 628 B10R0.65 CCS(=O)(=O)NCCC(=O)O Amb1119258 [0,1,0,0,0,0|3,0,0]=4 629 B10R0.65 CNS(=O)(=O)CCCC(=O)O Amb6741779 [0,1,0,0,0,0|2,0,0]=3 630 B10R0.65 COC(C)(C)CCCC(=O)O Amb32953229 [0,1,0,0,0,0|1,0,1]=3 631 B10R0.65 COC(C)(C)CCCC(C)=O Amb33449993 [0,1,0,0,0,0|2,0,1]=4 632 B10R0.65 COC(C)(C)CNCC(=O)O Amb23536459 [0,1,0,0,0,0|2,0,1]=4 633 B10R0.65 COC(C)(C)COCC(=O)O Amb33313093 [0,1,0,0,0,0|2,0,1]=4 634 B10R0.77 CCC(CC)CCCC(=O)O Amb33080333 [0,1,0,0,0,0|2,0,1]=4 635 B10R0.77 CCC(CCCC(=O)O)OC Amb33359882 [0,1,0,0,0,0|1,0,1]=3 636 B10R0.77 CCN(CC)CCCC(=O)O Amb8455324 [0,1,0,0,0,0|3,0,0]=4 637 B10R0.82 C#CC(=O)NCC(N)C(=O)O Amb27792858 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.82 C#CC(=O)NC[C@H](N)C(=O)O Amb25210877 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.82 C#CC(=O)NC[C@H](O)C(=O)O Amb27751159 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.82 C=C(C)C(N)CCC(=O)OC Amb33199520 [0,1,0,0,0,0|2,0,0]=3 641 B10R0.82 C=C(CCC(=O)OC)C(=O)O Amb30584741 [0,1,0,0,0,0|0,0,1]=2 642 B10R0.82 C=C(CCC(=O)OC)C(=O)[O-] Amb34916645 [0,1,0,0,0,0|0,0,2]=3 643 B10R0.82 C=CC(=O)NC[C@H](N)C(=O)O Amb27674138 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.82 CCC(=O)CCC(C)[N+](=O)[O-] Amb22436809 [0,1,0,0,0,0|2,0,1]=4 645 B10R0.82 CCC(=O)NC[C@H](O)C(=O)O Amb27670709 [0,1,0,0,0,0|2,0,0]=3 646 B10R0.82 CCC(C)CCC(C)C(=O)O Amb22641847 [0,1,0,0,0,0|2,0,1]=4 647 B10R0.82 CCN(C)CC[C@@H](N)C(=O)O Amb32698166 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.82 CNC(=O)CCC(N)C(=O)O Amb18645293 [0,1,0,0,0,0|1,0,0]=2 649 B10R0.82 CNC(=O)CCN(C)C(N)=O Amb27989844 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O Amb27986317 [0,1,0,0,0,0|2,0,0]=3 651 B10R0.82 CNC(=O)CSC(C)C(=O)O Amb6257259 [0,1,0,0,0,0|2,0,0]=3 652 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [0,1,0,0,0,0|2,0,0]=3 653 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O Amb17617278 [0,1,0,0,0,0|2,0,0]=3 654 B10R0.82 COC(=O)CCC(Br)C(=O)O Amb18134592 [0,1,0,0,0,0|0,0,0]=1 655 B10R0.82 COC(=O)CCC(Cl)C(=O)O Amb32941125 [0,1,0,0,0,0|0,0,0]=1 656 B10R0.82 COC(=O)CCC(N)C(=O)O Amb9825413 [0,1,0,0,0,0|0,0,0]=1 657 B10R0.82 COC(=O)CCC(N)C(C)C Amb33079135 [0,1,0,0,0,0|2,0,1]=4 658 B10R0.82 COC(=O)CCC(N)C(N)=O Amb31291204 [0,1,0,0,0,0|1,0,0]=2 659 B10R0.82 COC(=O)CCC(O)C(=O)O Amb32941120 [0,1,0,0,0,0|0,0,0]=1 660 B10R0.82 COC(=O)CCN(C)C(=O)Cl Amb33296793 [0,1,0,0,0,0|2,0,0]=3 661 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb16183875 [0,1,0,0,0,0|0,0,0]=1 662 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb22746068 [0,1,0,0,0,0|0,0,0]=1 663 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Amb2720571 [0,1,0,0,0,0|0,0,0]=1 664 B10R0.82 COC(=O)CC[C@H](N)C(=O)[O-] Amb34916015 [0,1,0,0,0,0|0,0,1]=2 665 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,0|1,0,0]=2 666 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb34916457 [0,1,0,0,0,0|1,0,0]=2 667 B10R0.82 COC(=O)CNC(C)C(N)=O Amb9203719 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.82 COC(=O)C\C=C(\C)C(C)=O Amb27673793 [0,1,0,0,0,0|1,0,2]=4 669 B10R0.82 COC(=O)NCC(C)C(=N)N Amb27987113 [0,1,0,0,0,0|3,0,0]=4 670 B10R0.82 COC(=O)NCC(C)C(N)=S Amb18804574 [0,1,0,0,0,0|2,1,0]=4 671 B10R0.82 COC(=O)NCC(C)S(C)=O Amb28387584 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.82 COC(=O)NCC(N)C(C)O Amb27271725 [0,1,0,0,0,0|2,0,1]=4 673 B10R0.82 COC(=O)NC[C@@H](C)[C@@H](C)O Amb27673639 [0,1,0,0,0,0|2,0,1]=4 674 B10R0.82 COC(=O)NC[C@@H](C)[C@H](C)O Amb27673638 [0,1,0,0,0,0|2,0,1]=4 675 B10R0.82 COC(=O)NC[C@H](O)C(=O)O Amb27670721 [0,1,0,0,0,0|1,0,0]=2 676 B10R0.82 COC(=O)NNC(=O)C(=O)O Amb27457284 [0,1,0,0,0,0|2,0,1]=4 677 B10R0.82 NC(CCC(=O)NO)C(=O)O Amb22350145 [0,1,0,0,0,0|2,0,0]=3 678 B10R0.82 NC(CNC(=O)C=O)C(=O)O Amb26082139 [0,1,0,0,0,0|3,0,0]=4 679 B10R0.82 NC(CNC(=O)CCl)C(=O)O Amb27990068 [0,1,0,0,0,0|3,0,0]=4 680 B10R0.82 NNC(=O)CCC(N)C(=O)O Amb6366546 [0,1,0,0,0,0|2,0,0]=3 681 B10R0.82 NNC(=O)CC[C@H](N)C(=O)O Amb25379957 [0,1,0,0,0,0|2,0,0]=3 682 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O Amb27269199 [0,1,0,0,0,0|2,0,0]=3 683 B10R0.82 O=C(CCl)NCC(O)C(=O)O Amb27990120 [0,1,0,0,0,0|3,0,0]=4 684 B10R0.98 C=C(Cl)C(=O)NCCC(=O)O Amb27671986 [0,1,0,0,0,0|2,0,1]=4 685 B10R0.98 CC(=O)CCNC(=O)C(C)C Amb17102871 [0,1,0,0,0,0|3,0,0]=4 686 B10R0.98 CC(=O)CCNC(=O)N(C)C Amb27673438 [0,1,0,0,0,0|3,0,0]=4 687 B10R0.98 CC(=O)N(C)CCCC(=O)O Amb9203971 [0,1,0,0,0,0|3,0,0]=4 688 B10R0.98 CC(Br)C(=O)NCCC(=O)O Amb27266434 [0,1,0,0,0,0|2,0,0]=3 689 B10R0.98 CC(Br)C(=O)NCCC(N)=O Amb27987838 [0,1,0,0,0,0|3,0,0]=4 690 B10R0.98 CC(C)C(=O)CCCC(=O)O Amb6305282 [0,1,0,0,0,0|1,0,0]=2 691 B10R0.98 CC(C)C(=O)NCCC(=O)O Amb1114300 [0,1,0,0,0,0|2,0,0]=3 692 B10R0.98 CC(C)C(=O)NCCC(N)=O Amb17232246 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.98 CC(C)C(=O)NOCC(=O)O Amb27269922 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.98 CC(C)N(C)CCCC(=O)O Amb7775266 [0,1,0,0,0,0|3,0,0]=4 695 B10R0.98 CC(Cl)C(=O)NCCC(N)=O Amb9415900 [0,1,0,0,0,0|3,0,0]=4 696 B10R0.98 CC(N)C(=O)NCCC(=O)O Amb4018751 [0,1,0,0,0,0|2,0,0]=3 697 B10R0.98 CN(C)C(=O)CCCC(=O)O Amb7770454 [0,1,0,0,0,0|1,0,0]=2 698 B10R0.98 CN(C)C(=O)COCC(=O)O Amb6408507 [0,1,0,0,0,0|2,0,0]=3 699 B10R0.98 CN(C)C(=O)CSCC(=O)O Amb426301 [0,1,0,0,0,0|2,0,0]=3 700 B10R0.98 CN(C)C(=O)NCCC(=O)O Amb18973180 [0,1,0,0,0,0|2,0,0]=3 701 B10R0.98 CN(C)C(=O)NOCC(=O)O Amb27491984 [0,1,0,0,0,0|3,0,0]=4 702 B10R0.98 CN(C)C(=S)NCCC(=O)O Amb22051637 [0,1,0,0,0,0|2,1,0]=4 703 B10R0.98 C[C@@H](O)C(=O)NCCC(N)=O Amb27988997 [0,1,0,0,0,0|3,0,0]=4 704 B10R0.98 C[C@H](O)C(=O)NCCC(N)=O Amb28387010 [0,1,0,0,0,0|3,0,0]=4 705 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [0,1,0,0,0,0|3,0,0]=4 706 B10R1.13 C=C1CCC(C(=O)O)CC1 Amb15695314 [0,0,0,1,0,0|2,0,0]=3 707 B10R1.13 CC(=O)C1CC=C(Br)CC1 Amb25756617 [0,0,0,1,0,0|3,0,0]=4 708 B10R1.13 CC(=O)C1CC=C(C)CC1 Amb4025836 [0,0,0,1,0,0|3,0,0]=4 709 B10R1.13 CC(=O)C1CCC(=O)CC1 Amb27597007 [0,0,0,1,0,0|2,0,0]=3 710 B10R1.13 CC(=O)C1CCC(C)OC1 Amb35732771 [0,0,0,1,0,0|2,0,1]=4 711 B10R1.13 CC(=O)N1CCC(=O)CC1 Amb2582739 [0,0,0,1,0,0|3,0,0]=4 712 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 Amb26539699 [0,0,0,1,0,0|2,0,1]=4 713 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [0,0,0,1,0,0|2,0,0]=3 714 B10R1.13 CC1=CCC(C(=O)O)CN1 Amb2613014 [0,0,0,1,0,0|2,0,1]=4 715 B10R1.13 CC1CCC(C(=O)O)CC1 Amb6456606 [0,0,0,1,0,0|2,0,1]=4 716 B10R1.13 CC1CCC(C(=O)O)CN1 Amb18643999 [0,0,0,1,0,0|2,0,1]=4 717 B10R1.13 CC1CCC(C(=O)O)CN1 Amb33329255 [0,0,0,1,0,0|2,0,1]=4 718 B10R1.13 CC1CCC(C(=O)O)CO1 Amb29860383 [0,0,0,1,0,0|1,0,1]=3 719 B10R1.13 CC1CNC(C(=O)O)CO1 Amb26356239 [0,0,0,1,0,0|2,0,1]=4 720 B10R1.13 CC1CNC(C(=O)O)CO1 Amb32653486 [0,0,0,1,0,0|2,0,1]=4 721 B10R1.13 CC1OCC(C(=O)O)CO1 Amb25723862 [0,0,0,1,0,0|2,0,1]=4 722 B10R1.13 CN1CCC(C(=O)O)CC1 Amb2236137 [0,0,0,1,0,0|3,0,0]=4 723 B10R1.13 CN1CCC(C(=O)O)CC1 Amb2237314 [0,0,0,1,0,0|3,0,0]=4 724 B10R1.13 C[C@@H]1CC[C@@H](C(=O)O)CN1 Amb26919968 [0,0,0,1,0,0|2,0,1]=4 725 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 Amb24620510 [0,0,0,1,0,0|2,0,1]=4 726 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 Amb35788844 [0,0,0,1,0,0|2,0,1]=4 727 B10R1.13 C[C@@H]1CN[C@@H](C(=O)O)CO1 Amb25949341 [0,0,0,1,0,0|2,0,1]=4 728 B10R1.13 C[C@@H]1CN[C@@H](C(=O)O)CO1 Amb31156297 [0,0,0,1,0,0|2,0,1]=4 729 B10R1.13 C[C@@H]1CN[C@H](C(=O)O)CO1 Amb24694579 [0,0,0,1,0,0|2,0,1]=4 730 B10R1.13 C[C@@H]1CN[C@H](C(=O)O)CO1 Amb32661059 [0,0,0,1,0,0|2,0,1]=4 731 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 Amb10843977 [0,0,0,1,0,0|2,0,1]=4 732 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CN1 Amb24580654 [0,0,0,1,0,0|2,0,1]=4 733 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 Amb3939943 [0,0,0,1,0,0|2,0,1]=4 734 B10R1.13 C[C@H]1CN[C@@H](C(=O)O)CO1 Amb28367492 [0,0,0,1,0,0|2,0,1]=4 735 B10R1.13 C[C@H]1CN[C@H](C(=O)O)CO1 Amb35746793 [0,0,0,1,0,0|2,0,1]=4 736 B10R1.13 NC(=O)C1C=CC(=O)CC1 Amb25946225 [0,0,0,1,0,0|2,0,1]=4 737 B10R1.13 NC(=O)C1CC=C(Cl)CC1 Amb27791767 [0,0,0,1,0,0|3,0,0]=4 738 B10R1.13 NC(=O)C1CC=C(O)CC1 Amb27170137 [0,0,0,1,0,0|2,0,1]=4 739 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [0,0,0,1,0,0|2,0,0]=3 740 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,0,0|2,0,0]=3 741 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb26400442 [0,0,0,1,0,0|3,0,0]=4 742 B10R1.13 NC(=O)C1CNC(=O)CN1 Amb33482851 [0,0,0,1,0,0|3,0,0]=4 743 B10R1.13 NC(=O)N1CCC(=O)CC1 Amb1158070 [0,0,0,1,0,0|3,0,0]=4 744 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb27760065 [0,0,0,1,0,0|2,0,0]=3 745 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb28555528 [0,0,0,1,0,0|2,0,0]=3 746 B10R1.13 NC1=NCC(C(=O)O)CN1 Amb24063113 [0,0,0,1,0,0|3,0,0]=4 747 B10R1.13 NC1=NCC(C(=O)O)CN1 Amb28555529 [0,0,0,1,0,0|3,0,0]=4 748 B10R1.13 NC1CCC(C(=O)O)CC1 Amb2699182 [0,0,0,1,0,0|2,0,1]=4 749 B10R1.13 NC1CCC(C(=O)O)CC1 Amb6739811 [0,0,0,1,0,0|2,0,1]=4 750 B10R1.13 NS(=O)C1CCC(=O)CC1 Amb32720481 [0,0,0,1,0,0|3,0,0]=4 751 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 Amb10070763 [0,0,0,1,0,0|2,0,1]=4 752 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 Amb33524039 [0,0,0,1,0,0|2,0,1]=4 753 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Amb33524062 [0,0,0,1,0,0|2,0,1]=4 754 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Amb8631309 [0,0,0,1,0,0|2,0,1]=4 755 B10R1.13 O=C(Cl)C1CC=C(Cl)CC1 Amb26848807 [0,0,0,1,0,0|3,0,0]=4 756 B10R1.13 O=C(O)C1CC=C(Br)CC1 Amb26015030 [0,0,0,1,0,0|2,0,0]=3 757 B10R1.13 O=C(O)C1CC=C(F)CC1 Amb27628828 [0,0,0,1,0,0|2,0,0]=3 758 B10R1.13 O=C(O)C1CCC(Br)CC1 Amb27239245 [0,0,0,1,0,0|2,0,1]=4 759 B10R1.13 O=C(O)C1CCC(Cl)CC1 Amb18126347 [0,0,0,1,0,0|2,0,1]=4 760 B10R1.13 O=C(O)C1CCC(F)CC1 Amb20670645 [0,0,0,1,0,0|2,0,1]=4 761 B10R1.13 O=C(O)C1CCC(I)CC1 Amb27443730 [0,0,0,1,0,0|2,0,1]=4 762 B10R1.13 O=C(O)C1CCC(O)CC1 Amb2720801 [0,0,0,1,0,0|1,0,2]=4 763 B10R1.13 O=C(O)C1CCC(S)CC1 Amb26844518 [0,0,0,1,0,0|1,1,1]=4 764 B10R1.13 O=C(O)C1CCN(Cl)CC1 Amb28458328 [0,0,0,1,0,0|3,0,0]=4 765 B10R1.13 O=C(O)C1CCS(=O)CC1 Amb25295426 [0,0,0,1,0,0|2,0,0]=3 766 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 Amb28042515 [0,0,0,1,0,0|2,0,1]=4 767 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 Amb22387642 [0,0,0,1,0,0|1,0,2]=4 768 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 Amb27786373 [0,0,0,1,0,0|2,0,1]=4 769 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 Amb22387641 [0,0,0,1,0,0|1,0,2]=4 770 B10R1.13 O=C1CCC(B(O)O)CC1 Amb25913793 [0,0,0,1,0,0|2,0,1]=4 771 B10R1.13 O=C1CCC(C(=O)Cl)CC1 Amb10071440 [0,0,0,1,0,0|2,0,0]=3 772 B10R1.13 O=C1CCC(C(=O)O)=NN1 Amb6336556 [0,0,0,1,0,0|2,0,1]=4 773 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [0,0,0,1,0,0|1,0,0]=2 774 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [0,0,0,1,0,0|1,0,0]=2 775 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [0,0,0,1,0,0|1,0,0]=2 776 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb21960863 [0,0,0,1,0,0|2,0,0]=3 777 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb5719827 [0,0,0,1,0,0|2,0,0]=3 778 B10R1.13 O=C1CCC(C(=O)O)NN1 Amb23441127 [0,0,0,1,0,0|2,0,0]=3 779 B10R1.13 O=C1CCC(C(=O)O)SC1 Amb23596925 [0,0,0,1,0,0|2,0,0]=3 780 B10R1.13 O=C1CCC(S(=O)Cl)CC1 Amb32720480 [0,0,0,1,0,0|3,0,0]=4 781 B10R1.13 O=C1CCC(S(=O)[O-])CC1 Amb32755806 [0,0,0,1,0,0|2,0,1]=4 782 B10R1.13 O=C1CCN(C(=O)Cl)CC1 Amb27839162 [0,0,0,1,0,0|3,0,0]=4 783 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [0,0,0,1,0,0|1,0,0]=2 784 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb24655763 [0,0,0,1,0,0|2,0,0]=3 785 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb31291189 [0,0,0,1,0,0|2,0,0]=3 786 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [0,0,0,1,0,0|1,0,0]=2 787 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb27648107 [0,0,0,1,0,0|2,0,0]=3 788 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb31291190 [0,0,0,1,0,0|2,0,0]=3 789 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22235954 [0,0,0,1,0,0|2,0,0]=3 790 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22641428 [0,0,0,1,0,0|2,0,0]=3 791 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 Amb24423079 [0,0,0,1,0,0|2,0,0]=3 792 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 Amb22756547 [0,0,0,1,0,0|2,0,0]=3 793 B10R1.13 O=C1COC(C(=O)O)CN1 Amb27872662 [0,0,0,1,0,0|2,0,0]=3 794 B10R1.13 O=C1NCC(C(=O)O)CN1 Amb27469166 [0,0,0,1,0,0|2,0,0]=3 795 B10R1.14 C#CC(=O)[C@@H]1CCC(=O)O1 Amb28324390 [0,0,0,1,0,0|1,0,1]=3 796 B10R1.14 C=C(CCl)C1CCC(=O)O1 Amb27462812 [0,0,0,1,0,0|3,0,0]=4 797 B10R1.14 C=C1CCC(C(=O)OC)C1 Amb25853444 [0,0,0,1,0,0|2,0,0]=3 798 B10R1.14 C=C1CCN(C(=O)OC)C1 Amb35642171 [0,0,0,1,0,0|3,0,0]=4 799 B10R1.14 C=C1CNC(C(=O)OC)C1 Amb27403406 [0,0,0,1,0,0|3,0,0]=4 800 B10R1.14 C=C1CNC(C(=O)OC)C1 Amb32753510 [0,0,0,1,0,0|3,0,0]=4 801 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 Amb28314230 [0,0,0,1,0,0|3,0,0]=4 802 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 Amb32675124 [0,0,0,1,0,0|3,0,0]=4 803 B10R1.14 C=CC(=O)C1CCC(=O)O1 Amb27771531 [0,0,0,1,0,0|1,0,1]=3 804 B10R1.14 CCC(=O)N1CCC(=O)N1 Amb32721865 [0,0,0,1,0,0|3,0,0]=4 805 B10R1.14 CCC(Br)C1CCC(=O)O1 Amb28204059 [0,0,0,1,0,0|2,0,1]=4 806 B10R1.14 CC[C@@H](O)[C@H]1CCC(=O)O1 Amb26055028 [0,0,0,1,0,0|1,0,2]=4 807 B10R1.14 CC[C@H](O)[C@@H]1CCC(=O)O1 Amb28053543 [0,0,0,1,0,0|1,0,2]=4 808 B10R1.14 CNC(=O)C1CCC(=O)O1 Amb27794838 [0,0,0,1,0,0|1,0,0]=2 809 B10R1.14 CNC(=O)C1CCC(O)C1 Amb28456895 [0,0,0,1,0,0|2,0,1]=4 810 B10R1.14 CNC(=O)C1CSC(=O)C1 Amb25307359 [0,0,0,1,0,0|3,0,0]=4 811 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 Amb24442752 [0,0,0,1,0,0|1,0,0]=2 812 B10R1.14 CNC(=O)[C@@H]1CC[C@@H](O)C1 Amb27827101 [0,0,0,1,0,0|2,0,1]=4 813 B10R1.14 CNC(=O)[C@@H]1CNC(=O)N1 Amb28070375 [0,0,0,1,0,0|3,0,0]=4 814 B10R1.14 CNC(=O)[C@H]1CCC(=O)N1 Amb28248463 [0,0,0,1,0,0|2,0,0]=3 815 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 Amb27204655 [0,0,0,1,0,0|1,0,0]=2 816 B10R1.14 COC(=O)C1=CC(=O)CC1 Amb22757122 [0,0,0,1,0,0|1,0,1]=3 817 B10R1.14 COC(=O)C1=C[C@@H](O)CC1 Amb28345358 [0,0,0,1,0,0|1,0,2]=4 818 B10R1.14 COC(=O)C1=C[C@H](O)CC1 Amb27217866 [0,0,0,1,0,0|1,0,2]=4 819 B10R1.14 COC(=O)C1C=C(C)CC1 Amb24527976 [0,0,0,1,0,0|2,0,0]=3 820 B10R1.14 COC(=O)C1C=C(O)NN1 Amb27798974 [0,0,0,1,0,0|3,0,0]=4 821 B10R1.14 COC(=O)C1CC(=O)CN1 Amb27874114 [0,0,0,1,0,0|2,0,0]=3 822 B10R1.14 COC(=O)C1CC(=O)CO1 Amb22755134 [0,0,0,1,0,0|2,0,0]=3 823 B10R1.14 COC(=O)C1CC(=O)CS1 Amb18199422 [0,0,0,1,0,0|2,0,0]=3 824 B10R1.14 COC(=O)C1CC(=O)NN1 Amb32993767 [0,0,0,1,0,0|3,0,0]=4 825 B10R1.14 COC(=O)C1CC(O)CN1 Amb1152079 [0,0,0,1,0,0|2,0,1]=4 826 B10R1.14 COC(=O)C1CC(O)CN1 Amb9702913 [0,0,0,1,0,0|2,0,1]=4 827 B10R1.14 COC(=O)C1CC(O)CO1 Amb24648233 [0,0,0,1,0,0|2,0,1]=4 828 B10R1.14 COC(=O)C1CC=C(C)C1 Amb27771986 [0,0,0,1,0,0|2,0,1]=4 829 B10R1.14 COC(=O)C1CCC(=O)C1 Amb10067354 [0,0,0,1,0,0|1,0,0]=2 830 B10R1.14 COC(=O)C1CCC(=O)N1 Amb2698115 [0,0,0,1,0,0|1,0,0]=2 831 B10R1.14 COC(=O)C1CCC(=O)O1 Amb22230883 [0,0,0,1,0,0|0,0,0]=1 832 B10R1.14 COC(=O)C1CCC(=S)N1 Amb26593867 [0,0,0,1,0,0|1,1,0]=3 833 B10R1.14 COC(=O)C1CCC(Br)C1 Amb27839371 [0,0,0,1,0,0|2,0,1]=4 834 B10R1.14 COC(=O)C1CCC(C)=N1 Amb28143507 [0,0,0,1,0,0|2,0,0]=3 835 B10R1.14 COC(=O)C1CCC(C)C1 Amb27831203 [0,0,0,1,0,0|2,0,1]=4 836 B10R1.14 COC(=O)C1CCC(C)O1 Amb17939078 [0,0,0,1,0,0|1,0,1]=3 837 B10R1.14 COC(=O)C1CCC(F)C1 Amb23456070 [0,0,0,1,0,0|2,0,1]=4 838 B10R1.14 COC(=O)C1CCC(N)C1 Amb22001889 [0,0,0,1,0,0|2,0,1]=4 839 B10R1.14 COC(=O)C1CCC(N)C1 Amb22491847 [0,0,0,1,0,0|2,0,1]=4 840 B10R1.14 COC(=O)C1CCC(O)C1 Amb22755872 [0,0,0,1,0,0|1,0,1]=3 841 B10R1.14 COC(=O)C1CCC(O)N1 Amb27838033 [0,0,0,1,0,0|1,0,1]=3 842 B10R1.14 COC(=O)C1CCN(C)C1 Amb9901745 [0,0,0,1,0,0|3,0,0]=4 843 B10R1.14 COC(=O)C1CN=C(Cl)O1 Amb27959044 [0,0,0,1,0,0|2,0,0]=3 844 B10R1.14 COC(=O)C1CN=C(N)S1 Amb28251562 [0,0,0,1,0,0|2,1,0]=4 845 B10R1.14 COC(=O)C1CNC(=N)C1 Amb35788529 [0,0,0,1,0,0|3,0,0]=4 846 B10R1.14 COC(=O)C1CNC(=N)C1 Amb35788690 [0,0,0,1,0,0|3,0,0]=4 847 B10R1.14 COC(=O)C1CNC(=O)C1 Amb9175027 [0,0,0,1,0,0|2,0,0]=3 848 B10R1.14 COC(=O)C1CNC(=O)N1 Amb28428459 [0,0,0,1,0,0|2,0,0]=3 849 B10R1.14 COC(=O)C1CNC(=O)O1 Amb33530541 [0,0,0,1,0,0|1,0,0]=2 850 B10R1.14 COC(=O)C1CNC(=S)C1 Amb28135924 [0,0,0,1,0,0|2,1,0]=4 851 B10R1.14 COC(=O)C1CNC(=S)N1 Amb27881943 [0,0,0,1,0,0|2,1,0]=4 852 B10R1.14 COC(=O)C1COC(=O)C1 Amb27985654 [0,0,0,1,0,0|2,0,0]=3 853 B10R1.14 COC(=O)C1COC(=O)N1 Amb22432172 [0,0,0,1,0,0|2,0,0]=3 854 B10R1.14 COC(=O)C1COC(=S)N1 Amb27631306 [0,0,0,1,0,0|2,1,0]=4 855 B10R1.14 COC(=O)C1CSC(=O)C1 Amb27478518 [0,0,0,1,0,0|2,0,0]=3 856 B10R1.14 COC(=O)C1CSC(=O)N1 Amb25808207 [0,0,0,1,0,0|2,0,0]=3 857 B10R1.14 COC(=O)C1C[C@@H](O)CN1 Amb33249653 [0,0,0,1,0,0|2,0,1]=4 858 B10R1.14 COC(=O)C1C[C@H](O)CN1 Amb27785434 [0,0,0,1,0,0|2,0,1]=4 859 B10R1.14 COC(=O)N1CCC(=O)C1 Amb21964722 [0,0,0,1,0,0|2,0,0]=3 860 B10R1.14 COC(=O)N1CCC(O)C1 Amb24457006 [0,0,0,1,0,0|2,0,1]=4 861 B10R1.14 COC(=O)N1CC[C@@H](O)C1 Amb24479237 [0,0,0,1,0,0|2,0,1]=4 862 B10R1.14 COC(=O)[C@@H]1C=C(C)CN1 Amb28456827 [0,0,0,1,0,0|3,0,0]=4 863 B10R1.14 COC(=O)[C@@H]1CC(=O)CN1 Amb27213178 [0,0,0,1,0,0|2,0,0]=3 864 B10R1.14 COC(=O)[C@@H]1CC(=O)CN1 Amb33743709 [0,0,0,1,0,0|2,0,0]=3 865 B10R1.14 COC(=O)[C@@H]1CC(O)CN1 Amb32411768 [0,0,0,1,0,0|2,0,1]=4 866 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 Amb27459673 [0,0,0,1,0,0|1,0,0]=2 867 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 Amb2695231 [0,0,0,1,0,0|1,0,0]=2 868 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 Amb22226740 [0,0,0,1,0,0|0,0,0]=1 869 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 Amb24066743 [0,0,0,1,0,0|1,1,0]=3 870 B10R1.14 COC(=O)[C@@H]1CCC(C)N1 Amb25843220 [0,0,0,1,0,0|2,0,1]=4 871 B10R1.14 COC(=O)[C@@H]1CCC(N)=N1 Amb26846813 [0,0,0,1,0,0|2,0,0]=3 872 B10R1.14 COC(=O)[C@@H]1CCC(N)=N1 Amb33733648 [0,0,0,1,0,0|2,0,0]=3 873 B10R1.14 COC(=O)[C@@H]1CCC(O)N1 Amb27252881 [0,0,0,1,0,0|1,0,1]=3 874 B10R1.14 COC(=O)[C@@H]1CCC(O)O1 Amb27838942 [0,0,0,1,0,0|0,0,2]=3 875 B10R1.14 COC(=O)[C@@H]1CC[C@@H](Br)C1 Amb31028914 [0,0,0,1,0,0|2,0,1]=4 876 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C)C1 Amb25868500 [0,0,0,1,0,0|2,0,1]=4 877 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C)N1 Amb25919536 [0,0,0,1,0,0|2,0,1]=4 878 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 Amb24183379 [0,0,0,1,0,0|2,0,1]=4 879 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 Amb28137702 [0,0,0,1,0,0|2,0,1]=4 880 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 Amb26642322 [0,0,0,1,0,0|1,0,1]=3 881 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)C1 Amb24578320 [0,0,0,1,0,0|2,0,1]=4 882 B10R1.14 COC(=O)[C@@H]1CC[C@H](C)N1 Amb26966282 [0,0,0,1,0,0|2,0,1]=4 883 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 Amb23440272 [0,0,0,1,0,0|2,0,1]=4 884 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 Amb26907379 [0,0,0,1,0,0|2,0,1]=4 885 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 Amb22746119 [0,0,0,1,0,0|1,0,1]=3 886 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)N1 Amb27814660 [0,0,0,1,0,0|1,0,1]=3 887 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 Amb24479010 [0,0,0,1,0,0|2,0,0]=3 888 B10R1.14 COC(=O)[C@@H]1CNC(=O)N1 Amb23598431 [0,0,0,1,0,0|2,0,0]=3 889 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 Amb25888968 [0,0,0,1,0,0|1,0,0]=2 890 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 Amb22746545 [0,0,0,1,0,0|2,0,0]=3 891 B10R1.14 COC(=O)[C@@H]1CSC(=O)N1 Amb24452632 [0,0,0,1,0,0|2,0,0]=3 892 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 Amb2716189 [0,0,0,1,0,0|2,0,1]=4 893 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 Amb5718689 [0,0,0,1,0,0|2,0,1]=4 894 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CO1 Amb27970939 [0,0,0,1,0,0|2,0,1]=4 895 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 Amb22230437 [0,0,0,1,0,0|2,0,1]=4 896 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 Amb9785165 [0,0,0,1,0,0|2,0,1]=4 897 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 Amb23440273 [0,0,0,1,0,0|1,0,0]=2 898 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 Amb8628992 [0,0,0,1,0,0|1,0,0]=2 899 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 Amb22225396 [0,0,0,1,0,0|0,0,0]=1 900 B10R1.14 COC(=O)[C@H]1CCC(C)=N1 Amb27251391 [0,0,0,1,0,0|2,0,0]=3 901 B10R1.14 COC(=O)[C@H]1CCC(N)=N1 Amb25347208 [0,0,0,1,0,0|2,0,0]=3 902 B10R1.14 COC(=O)[C@H]1CCC(N)=N1 Amb33742283 [0,0,0,1,0,0|2,0,0]=3 903 B10R1.14 COC(=O)[C@H]1CCC(O)O1 Amb28323721 [0,0,0,1,0,0|0,0,2]=3 904 B10R1.14 COC(=O)[C@H]1CC[C@@H](C)C1 Amb26602282 [0,0,0,1,0,0|2,0,1]=4 905 B10R1.14 COC(=O)[C@H]1CC[C@@H](C)N1 Amb26655238 [0,0,0,1,0,0|2,0,1]=4 906 B10R1.14 COC(=O)[C@H]1CC[C@@H](C)O1 Amb24630211 [0,0,0,1,0,0|1,0,1]=3 907 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 Amb25230396 [0,0,0,1,0,0|2,0,1]=4 908 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 Amb33801647 [0,0,0,1,0,0|2,0,1]=4 909 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 Amb26393349 [0,0,0,1,0,0|1,0,1]=3 910 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 Amb33801095 [0,0,0,1,0,0|2,0,1]=4 911 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 Amb26617210 [0,0,0,1,0,0|2,0,1]=4 912 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 Amb33806306 [0,0,0,1,0,0|2,0,1]=4 913 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 Amb26024878 [0,0,0,1,0,0|1,0,1]=3 914 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 Amb27834292 [0,0,0,1,0,0|2,0,0]=3 915 B10R1.14 COC(=O)[C@H]1COC(=O)C1 Amb25945015 [0,0,0,1,0,0|2,0,0]=3 916 B10R1.14 COC(=O)[C@H]1COC(=O)N1 Amb19929331 [0,0,0,1,0,0|2,0,0]=3 917 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 Amb26926087 [0,0,0,1,0,0|2,0,1]=4 918 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 Amb5718674 [0,0,0,1,0,0|2,0,1]=4 919 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 Amb10069258 [0,0,0,1,0,0|2,0,1]=4 920 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 Amb26919920 [0,0,0,1,0,0|2,0,1]=4 921 B10R1.14 C\C=C(/C)C1CCC(=O)C1 Amb27615130 [0,0,0,1,0,0|3,0,0]=4 922 B10R1.14 NNC(=O)C1CCC(=O)N1 Amb1781033 [0,0,0,1,0,0|3,0,0]=4 923 B10R1.14 NNC(=O)[C@H]1CCC(=O)N1 Amb28046389 [0,0,0,1,0,0|3,0,0]=4 924 B10R1.14 O=C1CCC(C(=O)NO)N1 Amb24377086 [0,0,0,1,0,0|3,0,0]=4 925 B10R1.14 O=C1CC[C@@H](C(=O)NO)N1 Amb27434478 [0,0,0,1,0,0|3,0,0]=4 926 B10R1.14 O=C1CC[C@H](C(=O)NO)N1 Amb28137782 [0,0,0,1,0,0|3,0,0]=4 927 B10R1.31 CCC1=NC(C(=O)O)CC1 Amb23560251 [0,0,0,1,0,0|2,0,0]=3 928 B10R1.31 CCC1=NC(C(=O)O)CS1 Amb24529169 [0,0,0,1,0,0|3,0,0]=4 929 B10R1.31 CCC1=NCC(C(=O)O)S1 Amb27638215 [0,0,0,1,0,0|2,1,0]=4 930 B10R1.31 CCC1=N[C@@H](C(=O)O)CS1 Amb32676212 [0,0,0,1,0,0|3,0,0]=4 931 B10R1.31 CCC1=N[C@H](C(=O)O)CS1 Amb35648202 [0,0,0,1,0,0|3,0,0]=4 932 B10R1.31 CCC1CCC(C(=O)O)N1 Amb24694112 [0,0,0,1,0,0|2,0,1]=4 933 B10R1.31 CCC1CCC(C(=O)O)N1 Amb28555622 [0,0,0,1,0,0|2,0,1]=4 934 B10R1.31 CCC1CCC(C(=O)O)O1 Amb20668759 [0,0,0,1,0,0|1,0,2]=4 935 B10R1.31 CCN1CCC(C(=O)O)C1 Amb10607746 [0,0,0,1,0,0|3,0,0]=4 936 B10R1.31 CCN1CC[C@H](C(=O)O)C1 Amb27406792 [0,0,0,1,0,0|3,0,0]=4 937 B10R1.31 CC[C@@H]1CC[C@@H](C(=O)O)O1 Amb35750180 [0,0,0,1,0,0|1,0,2]=4 938 B10R1.31 CC[C@H]1CC[C@@H](C(=O)O)N1 Amb28053433 [0,0,0,1,0,0|2,0,1]=4 939 B10R1.31 CNC1CCC(C(=O)O)C1 Amb23454119 [0,0,0,1,0,0|2,0,1]=4 940 B10R1.31 COC1=NC(C(=O)O)CC1 Amb27246925 [0,0,0,1,0,0|1,0,0]=2 941 B10R1.31 COC1CCC(C(=O)O)C1 Amb24399167 [0,0,0,1,0,0|1,0,1]=3 942 B10R1.31 COC1CNC(C(=O)O)C1 Amb33530569 [0,0,0,1,0,0|2,0,1]=4 943 B10R1.31 COC1CN[C@H](C(=O)O)C1 Amb26037119 [0,0,0,1,0,0|2,0,1]=4 944 B10R1.31 CO[C@@H]1CN[C@@H](C(=O)O)C1 Amb24112984 [0,0,0,1,0,0|2,0,1]=4 945 B10R1.31 CO[C@@H]1CN[C@H](C(=O)O)C1 Amb24514992 [0,0,0,1,0,0|2,0,1]=4 946 B10R1.31 CO[C@H]1CC[C@@H](C(=O)O)C1 Amb26657399 [0,0,0,1,0,0|1,0,1]=3 947 B10R1.31 CO[C@H]1CN[C@@H](C(=O)O)C1 Amb25231723 [0,0,0,1,0,0|2,0,1]=4 948 B10R1.31 CO[C@H]1CN[C@H](C(=O)O)C1 Amb25959597 [0,0,0,1,0,0|2,0,1]=4 949 B10R1.31 CSC1=NC(C(=O)O)CC1 Amb28146794 [0,0,0,1,0,0|1,1,0]=3 950 B10R1.31 O=C(O)C1CC\C(=N/O)C1 Amb23453115 [0,0,0,1,0,0|3,0,0]=4 951 B10R1.31 O=C(O)[C@H]1CC\C(=N/O)C1 Amb25888967 [0,0,0,1,0,0|3,0,0]=4 952 B10R1.54 C=C(C)CC1CNC(=O)C1 Amb28074648 [0,0,0,1,0,0|3,0,0]=4 953 B10R1.54 C=C1CCN(CC(=O)O)C1 Amb30028134 [0,0,0,1,0,0|3,0,0]=4 954 B10R1.54 CC(=O)CC1=NOC(=O)C1 Amb27638501 [0,0,0,1,0,0|2,0,1]=4 955 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [0,0,0,1,0,0|2,0,0]=3 956 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [0,0,0,1,0,0|3,0,0]=4 957 B10R1.54 CC(=O)NC1CCC(=O)C1 Amb27425009 [0,0,0,1,0,0|3,0,0]=4 958 B10R1.54 CC(=O)NC1CNC(=O)C1 Amb27246003 [0,0,0,1,0,0|3,0,0]=4 959 B10R1.54 CC(=O)OC1COC(=O)C1 Amb22730362 [0,0,0,1,0,0|2,0,0]=3 960 B10R1.54 CC(=O)O[C@@H]1COC(=O)C1 Amb8516055 [0,0,0,1,0,0|2,0,0]=3 961 B10R1.54 CC(=O)O[C@H]1COC(=O)C1 Amb22225179 [0,0,0,1,0,0|2,0,0]=3 962 B10R1.54 CC(=O)SC1CNC(=O)C1 Amb27411796 [0,0,0,1,0,0|3,0,0]=4 963 B10R1.54 CC(=O)S[C@H]1CCC(=O)C1 Amb27750249 [0,0,0,1,0,0|3,0,0]=4 964 B10R1.54 CC(=O)S[C@H]1CNC(=O)C1 Amb24592595 [0,0,0,1,0,0|3,0,0]=4 965 B10R1.54 CC(C)CC1COC(=O)C1 Amb27638023 [0,0,0,1,0,0|2,0,1]=4 966 B10R1.54 CC(C)C[C@@H]1COC(=O)C1 Amb8388939 [0,0,0,1,0,0|2,0,1]=4 967 B10R1.54 CC(O)CC1COC(=O)N1 Amb27614205 [0,0,0,1,0,0|2,0,1]=4 968 B10R1.54 CC1=NOC(CC(=O)O)C1 Amb5721477 [0,0,0,1,0,0|3,0,0]=4 969 B10R1.54 CC1CC(CC(=O)O)CO1 Amb29866066 [0,0,0,1,0,0|1,0,1]=3 970 B10R1.54 CC1CC(CC(=O)O)CS1 Amb28318997 [0,0,0,1,0,0|1,1,1]=4 971 B10R1.54 CC1CCC(CC(=O)O)C1 Amb18643912 [0,0,0,1,0,0|2,0,1]=4 972 B10R1.54 CN1CCC(CC(=O)O)C1 Amb33550954 [0,0,0,1,0,0|3,0,0]=4 973 B10R1.54 CN1CCC(CC(=O)O)C1 Amb8009899 [0,0,0,1,0,0|3,0,0]=4 974 B10R1.54 C[C@@H]1CCC(CC(=O)O)C1 Amb27436927 [0,0,0,1,0,0|2,0,1]=4 975 B10R1.54 NC(=O)CC1CC(=O)NN1 Amb35694043 [0,0,0,1,0,0|3,0,0]=4 976 B10R1.54 N[C@@H]1CC[C@@H](CC(=O)O)C1 Amb10066890 [0,0,0,1,0,0|2,0,1]=4 977 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb10066892 [0,0,0,1,0,0|2,0,1]=4 978 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb35745836 [0,0,0,1,0,0|2,0,1]=4 979 B10R1.54 N[C@H]1CC[C@@H](CC(=O)O)C1 Amb10066912 [0,0,0,1,0,0|2,0,1]=4 980 B10R1.54 O=C(Cl)CC1CCC(=O)C1 Amb27614921 [0,0,0,1,0,0|2,0,0]=3 981 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [0,0,0,1,0,0|1,0,2]=4 982 B10R1.54 O=C(O)CC1=CC(=O)OC1 Amb27615054 [0,0,0,1,0,0|0,0,2]=3 983 B10R1.54 O=C(O)CC1=CC(=O)ON1 Amb28348890 [0,0,0,1,0,0|1,0,2]=4 984 B10R1.54 O=C(O)CC1=NNC(=O)C1 Amb8826416 [0,0,0,1,0,0|2,0,1]=4 985 B10R1.54 O=C(O)CC1=NOC(=O)C1 Amb18202495 [0,0,0,1,0,0|1,0,1]=3 986 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [0,0,0,1,0,0|2,0,0]=3 987 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [0,0,0,1,0,0|1,0,0]=2 988 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,0|2,0,0]=3 989 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [0,0,0,1,0,0|2,0,0]=3 990 B10R1.54 O=C(O)CC1CCC(F)C1 Amb24679226 [0,0,0,1,0,0|2,0,1]=4 991 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [0,0,0,1,0,0|1,0,2]=4 992 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [0,0,0,1,0,0|1,0,0]=2 993 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [0,0,0,1,0,0|0,0,0]=1 994 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [0,0,0,1,0,0|1,0,0]=2 995 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,0,0,1,0,0|2,0,1]=4 996 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [0,0,0,1,0,0|1,0,0]=2 997 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,0|2,0,0]=3 998 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [0,0,0,1,0,0|1,0,2]=4 999 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [0,0,0,1,0,0|1,0,2]=4 1000 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [0,0,0,1,0,0|1,0,0]=2 1001 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [0,0,0,1,0,0|1,0,0]=2 1002 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,0|2,0,0]=3 1003 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [0,0,0,1,0,0|2,0,0]=3 1004 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [0,0,0,1,0,0|1,0,2]=4 1005 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [0,0,0,1,0,0|1,0,2]=4 1006 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [0,0,0,1,0,0|1,0,0]=2 1007 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,0,0|1,0,0]=2 1008 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 Amb21964316 [0,0,0,1,0,0|2,0,1]=4 1009 B10R1.73 CC1CC1CCCC(=O)O Amb25921322 [0,0,0,1,0,0|2,0,1]=4 1010 B10R1.73 C[C@@H]1C[C@@H]1CCCC(=O)O Amb27494069 [0,0,0,1,0,0|2,0,1]=4 1011 B10R1.79 O=C1CCCC(=O)CCC1 Amb2780678 [0,0,0,1,0,0|2,0,0]=3 1012 B10R1.79 O=C1CCCC(O)CCC1 Amb2609402 [0,0,0,1,0,0|2,0,1]=4 1013 B10R1.79 O=C1CCNC(=O)CCN1 Amb23403556 [0,0,0,1,0,0|3,0,0]=4 1014 B10R1.80 CC1CC(CC(=O)O)C1C Amb28049798 [0,0,0,1,0,0|2,0,1]=4 1015 B10R1.117 O=C(O)CCN1CCC1=O Amb27782123 [0,0,0,1,0,0|2,0,0]=3 1016 B10R1.127 O=C(O)CCCC1CCC1 Amb26345789 [0,0,0,1,0,0|2,0,1]=4 1017 B10R1.150 C=C1CN(CC(=O)OC)C1 Amb35605510 [0,0,0,1,0,0|3,0,0]=4 1018 B10R1.150 CCC(=O)CC1CC(=O)N1 Amb32676998 [0,0,0,1,0,0|2,0,0]=3 1019 B10R1.150 COC(=O)CC1CC(=O)C1 Amb22001609 [0,0,0,1,0,0|1,0,0]=2 1020 B10R1.150 COC(=O)CC1CC(=O)N1 Amb24117255 [0,0,0,1,0,0|1,0,0]=2 1021 B10R1.150 COC(=O)CC1CC(N)C1 Amb28055483 [0,0,0,1,0,0|2,0,1]=4 1022 B10R1.150 COC(=O)CC1CC(N)C1 Amb32682434 [0,0,0,1,0,0|2,0,1]=4 1023 B10R1.150 COC(=O)CC1CC(O)C1 Amb26868434 [0,0,0,1,0,0|1,0,1]=3 1024 B10R1.150 COC(=O)CC1CN(C)C1 Amb28248772 [0,0,0,1,0,0|3,0,0]=4 1025 B10R1.150 COC(=O)C[C@H]1C[C@@H](O)C1 Amb28042990 [0,0,0,1,0,0|1,0,1]=3 1026 B10R1.150 COC(=O)C[C@H]1C[C@H](N)C1 Amb35788513 [0,0,0,1,0,0|2,0,1]=4 1027 B10R1.150 COC(=O)C[C@H]1C[C@H](N)C1 Amb35789450 [0,0,0,1,0,0|2,0,1]=4 1028 B10R1.150 COC(=O)C[C@H]1C[C@H](O)C1 Amb26633926 [0,0,0,1,0,0|1,0,1]=3 1029 B10R1.153 COC(=O)CCCC1CC1 Amb28280823 [0,0,0,1,0,0|2,0,1]=4 1030 B10R1.168 CCC1CC(CC(=O)O)C1 Amb24585666 [0,0,0,1,0,0|2,0,1]=4 1031 B10R1.168 CO[C@H]1C[C@@H](CC(=O)O)C1 Amb35751669 [0,0,0,1,0,0|1,0,1]=3 1032 B10R1.194 C=C(C)[C@H]1CCC(=O)[C@@H]1C Amb27431718 [0,0,0,1,0,0|3,0,0]=4 1033 B10R1.194 C=C(C)[C@H]1CCC(=O)[C@H]1C Amb28422755 [0,0,0,1,0,0|3,0,0]=4 1034 B10R1.194 C=C1C(=O)CCC1C(N)=O Amb24529259 [0,0,0,1,0,0|2,0,1]=4 1035 B10R1.194 C=C1C(=O)CC[C@@H]1C(=O)O Amb28050151 [0,0,0,1,0,0|1,0,1]=3 1036 B10R1.194 C=C1CCC(C(=O)O)C1C Amb27442987 [0,0,0,1,0,0|2,0,0]=3 1037 B10R1.194 C=C1CCC(C(=O)O)C1N Amb25690409 [0,0,0,1,0,0|3,0,0]=4 1038 B10R1.194 C=C1CC[C@@H](C(=O)O)[C@H]1N Amb26884928 [0,0,0,1,0,0|3,0,0]=4 1039 B10R1.194 C=C1CC[C@H](C(=O)O)[C@@H]1C Amb27961118 [0,0,0,1,0,0|2,0,0]=3 1040 B10R1.194 C=C1CC[C@H](C(=O)O)[C@@H]1N Amb28345701 [0,0,0,1,0,0|3,0,0]=4 1041 B10R1.194 CC(=O)C1CCC(=O)N1C Amb27256371 [0,0,0,1,0,0|2,0,0]=3 1042 B10R1.194 CC(=O)C1CCC(C)=C1C Amb27476269 [0,0,0,1,0,0|3,0,0]=4 1043 B10R1.194 CC(=O)C1COC(=O)C1C Amb27863667 [0,0,0,1,0,0|3,0,0]=4 1044 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,0,0,1,0,0|3,0,0]=4 1045 B10R1.194 CC(O)C1CCC(=O)N1C Amb28050575 [0,0,0,1,0,0|2,0,1]=4 1046 B10R1.194 CC1=C(C(=O)O)CCS1=O Amb17593998 [0,0,0,1,0,0|2,0,1]=4 1047 B10R1.194 CC1=[N+](C)[C@H](C(=O)O)CS1 Amb27392328 [0,0,0,1,0,0|3,0,0]=4 1048 B10R1.194 CC1C(=O)C=CC1C(=O)O Amb27408528 [0,0,0,1,0,0|1,0,2]=4 1049 B10R1.194 CC1C(=O)CCC1S(C)=O Amb27823567 [0,0,0,1,0,0|3,0,0]=4 1050 B10R1.194 CC1C(=O)NCC1C(=O)O Amb27660444 [0,0,0,1,0,0|2,0,0]=3 1051 B10R1.194 CC1C(=O)NCC1C(N)=O Amb27804069 [0,0,0,1,0,0|3,0,0]=4 1052 B10R1.194 CC1C(=O)OCC1C(=O)O Amb4022599 [0,0,0,1,0,0|2,0,0]=3 1053 B10R1.194 CC1C(C(=O)O)CCN1C Amb28050081 [0,0,0,1,0,0|3,0,0]=4 1054 B10R1.194 CC1C(C(=O)O)CCN1C Amb28555552 [0,0,0,1,0,0|3,0,0]=4 1055 B10R1.194 CC1CC[C@@H](C(=O)O)N1C Amb27242545 [0,0,0,1,0,0|2,0,1]=4 1056 B10R1.194 CC1CC[C@H](C(=O)O)C1C Amb28347215 [0,0,0,1,0,0|2,0,1]=4 1057 B10R1.194 CN1C(=N)CC[C@H]1C(N)=O Amb27174286 [0,0,0,1,0,0|3,0,0]=4 1058 B10R1.194 CN1C(=O)CCC1C(=O)O Amb18279438 [0,0,0,1,0,0|1,0,0]=2 1059 B10R1.194 CN1C(=O)CCC1C(N)=O Amb26396272 [0,0,0,1,0,0|2,0,0]=3 1060 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O Amb24480932 [0,0,0,1,0,0|1,0,0]=2 1061 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O Amb22756511 [0,0,0,1,0,0|1,0,0]=2 1062 B10R1.194 CN1C(=O)NCC1C(=O)O Amb27184588 [0,0,0,1,0,0|2,0,0]=3 1063 B10R1.194 CN1C(=O)NC[C@@H]1C(=O)O Amb27946880 [0,0,0,1,0,0|2,0,0]=3 1064 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Amb28042993 [0,0,0,1,0,0|2,0,0]=3 1065 B10R1.194 CN1C(=O)OCC1C(=O)O Amb25800781 [0,0,0,1,0,0|2,0,0]=3 1066 B10R1.194 CN1C(=O)OC[C@@H]1C(=O)O Amb32673921 [0,0,0,1,0,0|2,0,0]=3 1067 B10R1.194 C[C@@H]1C(=O)OC[C@H]1C(=O)O Amb28429847 [0,0,0,1,0,0|2,0,0]=3 1068 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C Amb24715908 [0,0,0,1,0,0|2,0,1]=4 1069 B10R1.194 C[C@@H]1CC[C@H](C(=O)O)N1C Amb33714494 [0,0,0,1,0,0|2,0,1]=4 1070 B10R1.194 C[C@@H]1CC[C@H](C(=O)O)[C@@H]1C Amb27217301 [0,0,0,1,0,0|2,0,1]=4 1071 B10R1.194 C[C@@H]1[C@@H](C(=O)O)CCN1C Amb18202481 [0,0,0,1,0,0|3,0,0]=4 1072 B10R1.194 C[C@@H]1[C@H](C(=O)O)CCN1C Amb28721110 [0,0,0,1,0,0|3,0,0]=4 1073 B10R1.194 C[C@H]1C(=O)CC[C@H]1C(=O)O Amb27778459 [0,0,0,1,0,0|1,0,0]=2 1074 B10R1.194 C[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18831599 [0,0,0,1,0,0|2,0,0]=3 1075 B10R1.194 C[C@H]1C(=O)NC[C@@H]1C(=O)O Amb27858486 [0,0,0,1,0,0|2,0,0]=3 1076 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C Amb32643970 [0,0,0,1,0,0|2,0,1]=4 1077 B10R1.194 C[C@H]1CC[C@H](C(=O)O)[C@@H]1C Amb28067785 [0,0,0,1,0,0|2,0,1]=4 1078 B10R1.194 NC1C(=O)NCC1C(=O)O Amb25683449 [0,0,0,1,0,0|3,0,0]=4 1079 B10R1.194 NC1C(=O)NCC1C(=O)O Amb32721524 [0,0,0,1,0,0|3,0,0]=4 1080 B10R1.194 NN1C(=O)CCC1C(=O)O Amb27839055 [0,0,0,1,0,0|2,0,0]=3 1081 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb25230623 [0,0,0,1,0,0|3,0,0]=4 1082 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb32992773 [0,0,0,1,0,0|3,0,0]=4 1083 B10R1.194 O=C(O)C1CCC(=O)N1O Amb27807058 [0,0,0,1,0,0|2,0,0]=3 1084 B10R1.194 O=C(O)[C@@H]1CCC(=O)N1O Amb26357551 [0,0,0,1,0,0|2,0,0]=3 1085 B10R1.194 O=C1OCC(C(=O)O)C1O Amb26405203 [0,0,0,1,0,0|3,0,0]=4 1086 B10R1.197 COC1CCCC(=O)CC1 Amb25723338 [0,0,0,1,0,0|2,0,1]=4 1087 B10R1.277 CC1NC(=O)CCNC1=O Amb27184656 [0,0,0,1,0,0|3,0,0]=4 1088 B10R1.277 CN1CC(O)CCCC1=O Amb35788357 [0,0,0,1,0,0|2,0,1]=4 1089 B10R1.302 O=C1CCCS(=O)(=O)CC1 Amb4460974 [0,0,0,1,0,0|2,0,1]=4 1090 B10R1.350 CC1(CCCC(=O)O)CC1 Amb16232020 [0,0,0,1,0,0|2,0,1]=4 1091 B10R1.350 NC1(CCCC(=O)O)CC1 Amb18831585 [0,0,0,1,0,0|2,0,1]=4 1092 B10R1.350 O=C(O)CCCC1(F)CC1 Amb27655612 [0,0,0,1,0,0|2,0,1]=4 1093 B10R1.408 C=C(C)C1CC1C(=O)OC Amb28325848 [0,0,0,1,0,0|2,0,0]=3 1094 B10R1.408 CCC(C)C1CC1C(=O)O Amb25887507 [0,0,0,1,0,0|2,0,1]=4 1095 B10R1.408 CCC(C)[C@@H]1C[C@H]1C(=O)O Amb33373888 [0,0,0,1,0,0|2,0,1]=4 1096 B10R1.408 CNC(=O)C1CC1C(=O)O Amb17606124 [0,0,0,1,0,0|1,0,0]=2 1097 B10R1.408 CNC(=O)[C@@H]1C[C@H]1C(=O)O Amb24055632 [0,0,0,1,0,0|1,0,0]=2 1098 B10R1.408 COC(=O)C1CC1B(O)O Amb24314268 [0,0,0,1,0,0|1,0,1]=3 1099 B10R1.408 COC(=O)C1CC1C(=O)Cl Amb25104983 [0,0,0,1,0,0|1,0,0]=2 1100 B10R1.408 COC(=O)C1CC1C(=O)O Amb19314991 [0,0,0,1,0,0|0,0,0]=1 1101 B10R1.408 COC(=O)C1CC1C(=O)[O-] Amb34916021 [0,0,0,1,0,0|0,0,1]=2 1102 B10R1.408 COC(=O)C1CC1C(C)=O Amb26641869 [0,0,0,1,0,0|1,0,0]=2 1103 B10R1.408 COC(=O)C1CC1C(C)C Amb26035428 [0,0,0,1,0,0|2,0,1]=4 1104 B10R1.408 COC(=O)C1CC1C(C)O Amb27823080 [0,0,0,1,0,0|1,0,1]=3 1105 B10R1.408 COC(=O)C1CC1C(N)=O Amb26964635 [0,0,0,1,0,0|1,0,0]=2 1106 B10R1.408 COC(=O)C1CC1[N+](=O)[O-] Amb9677349 [0,0,0,1,0,0|1,0,1]=3 1107 B10R1.408 COC(=O)C1OC1C(=O)O Amb25072766 [0,0,0,1,0,0|1,0,0]=2 1108 B10R1.408 COC(=O)C1OC1C(C)=O Amb26444891 [0,0,0,1,0,0|2,0,0]=3 1109 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25306534 [0,0,0,1,0,0|1,0,0]=2 1110 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O Amb25949202 [0,0,0,1,0,0|0,0,0]=1 1111 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(C)=O Amb28052590 [0,0,0,1,0,0|1,0,0]=2 1112 B10R1.408 COC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] Amb24664527 [0,0,0,1,0,0|1,0,1]=3 1113 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O Amb24183508 [0,0,0,1,0,0|0,0,0]=1 1114 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(C)=O Amb25179679 [0,0,0,1,0,0|1,0,0]=2 1115 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(C)O Amb27484654 [0,0,0,1,0,0|1,0,1]=3 1116 B10R1.408 COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb24434174 [0,0,0,1,0,0|1,0,1]=3 1117 B10R1.408 COC(=O)[C@@H]1O[C@H]1C(=O)O Amb25174796 [0,0,0,1,0,0|1,0,0]=2 1118 B10R1.408 COC(=O)[C@@H]1O[C@H]1C(C)=O Amb27455466 [0,0,0,1,0,0|2,0,0]=3 1119 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O Amb27254210 [0,0,0,1,0,0|0,0,0]=1 1120 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(F)F Amb27855353 [0,0,0,1,0,0|2,0,1]=4 1121 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O Amb26397116 [0,0,0,1,0,0|0,0,0]=1 1122 B10R1.408 COC(=O)[C@H]1C[C@H]1C(C)=O Amb25377828 [0,0,0,1,0,0|1,0,0]=2 1123 B10R1.408 COC(=O)[C@H]1O[C@@H]1C(=O)O Amb24745530 [0,0,0,1,0,0|1,0,0]=2 1124 B10R1.408 COC(=O)[C@H]1O[C@H]1C(=O)O Amb24601831 [0,0,0,1,0,0|1,0,0]=2 1125 B10R1.408 COC(=O)[C@H]1O[C@H]1[C@H](C)O Amb27218648 [0,0,0,1,0,0|2,0,1]=4 1126 B10R1.408 COC(C)C1CC1C(=O)O Amb27212390 [0,0,0,1,0,0|1,0,1]=3 1127 B10R1.408 O=C(O)C1CC1C(=O)CBr Amb27626250 [0,0,0,1,0,0|2,0,0]=3 1128 B10R1.416 COC(=O)C1CCC1(C)C Amb34156641 [0,0,0,1,0,0|2,0,1]=4 1129 B10R1.428 COC(=O)CC1CC1(F)F Amb35608831 [0,0,0,1,0,0|2,0,1]=4 1130 B8R0.9 BO\C(O)=C/CC(=O)O Amb27797365 [0,0,0,0,1,0|1,0,2]=4 1131 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [0,0,0,0,1,0|2,0,1]=4 1132 B8R0.9 C#CC(=O)NCC(=O)O Amb6270091 [0,0,0,0,1,0|2,0,1]=4 1133 B8R0.9 C=C(C)CNC(=O)OC Amb27473324 [0,0,0,0,1,0|3,0,0]=4 1134 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [0,0,0,0,1,0|3,0,0]=4 1135 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [0,0,0,0,1,0|2,0,1]=4 1136 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [0,0,0,0,1,0|2,0,1]=4 1137 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [0,0,0,0,1,0|2,0,1]=4 1138 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [0,0,0,0,1,0|2,0,1]=4 1139 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [0,0,0,0,1,0|3,0,0]=4 1140 B8R0.9 CC(=O)CCC(=O)NO Amb26971070 [0,0,0,0,1,0|3,0,0]=4 1141 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [0,0,0,0,1,0|3,0,0]=4 1142 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [0,0,0,0,1,0|1,0,0]=2 1143 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [0,0,0,0,1,0|2,0,0]=3 1144 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [0,0,0,0,1,0|3,0,0]=4 1145 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [0,0,0,0,1,0|3,0,0]=4 1146 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [0,0,0,0,1,0|2,0,0]=3 1147 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [0,0,0,0,1,0|3,0,0]=4 1148 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [0,0,0,0,1,0|3,0,0]=4 1149 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [0,0,0,0,1,0|3,0,0]=4 1150 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [0,0,0,0,1,0|1,0,2]=4 1151 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [0,0,0,0,1,0|1,0,2]=4 1152 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [0,0,0,0,1,0|2,0,1]=4 1153 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [0,0,0,0,1,0|2,0,1]=4 1154 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [0,0,0,0,1,0|2,0,1]=4 1155 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [0,0,0,0,1,0|2,0,1]=4 1156 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [0,0,0,0,1,0|2,0,1]=4 1157 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [0,0,0,0,1,0|1,0,2]=4 1158 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [0,0,0,0,1,0|1,1,1]=4 1159 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [0,0,0,0,1,0|3,0,0]=4 1160 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [0,0,0,0,1,0|3,0,0]=4 1161 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [0,0,0,0,1,0|2,0,0]=3 1162 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [0,0,0,0,1,0|3,0,0]=4 1163 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [0,0,0,0,1,0|2,0,1]=4 1164 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [0,0,0,0,1,0|1,0,2]=4 1165 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [0,0,0,0,1,0|2,0,1]=4 1166 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [0,0,0,0,1,0|1,0,0]=2 1167 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [0,0,0,0,1,0|2,0,0]=3 1168 B8R0.9 CNC(=O)CCC(C)O Amb17334125 [0,0,0,0,1,0|2,0,1]=4 1169 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [0,0,0,0,1,0|2,0,0]=3 1170 B8R0.9 CNC(=O)CC[C@H](C)O Amb27799232 [0,0,0,0,1,0|2,0,1]=4 1171 B8R0.9 CNC(=O)CNC(C)=O Amb4034777 [0,0,0,0,1,0|3,0,0]=4 1172 B8R0.9 CNC(=O)COC(C)=O Amb26872495 [0,0,0,0,1,0|3,0,0]=4 1173 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [0,0,0,0,1,0|2,0,0]=3 1174 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [0,0,0,0,1,0|2,0,0]=3 1175 B8R0.9 CNC(=O)\C=C/C(=O)O Amb2720469 [0,0,0,0,1,0|1,0,2]=4 1176 B8R0.9 CNC(=O)\C=C\C(=O)O Amb9277097 [0,0,0,0,1,0|1,0,2]=4 1177 B8R0.9 CNC(=S)NCC(=O)O Amb4044376 [0,0,0,0,1,0|2,1,0]=4 1178 B8R0.9 COC(=O)CCB(O)O Amb25705142 [0,0,0,0,1,0|1,0,1]=3 1179 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [0,0,0,0,1,0|1,0,0]=2 1180 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [0,0,0,0,1,0|0,0,0]=1 1181 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [0,0,0,0,1,0|1,0,0]=2 1182 B8R0.9 COC(=O)CCC(C)Br Amb24340280 [0,0,0,0,1,0|2,0,1]=4 1183 B8R0.9 COC(=O)CCC(C)C Amb9241809 [0,0,0,0,1,0|2,0,1]=4 1184 B8R0.9 COC(=O)CCC(C)Cl Amb24644384 [0,0,0,0,1,0|2,0,1]=4 1185 B8R0.9 COC(=O)CCC(C)I Amb27445524 [0,0,0,0,1,0|2,0,1]=4 1186 B8R0.9 COC(=O)CCC(C)N Amb18642842 [0,0,0,0,1,0|2,0,1]=4 1187 B8R0.9 COC(=O)CCC(C)N Amb35750839 [0,0,0,0,1,0|2,0,1]=4 1188 B8R0.9 COC(=O)CCC(C)O Amb26459430 [0,0,0,0,1,0|1,0,1]=3 1189 B8R0.9 COC(=O)CCC(C)S Amb28066829 [0,0,0,0,1,0|1,1,1]=4 1190 B8R0.9 COC(=O)CCC(C)[O-] Amb30988005 [0,0,0,0,1,0|1,0,2]=4 1191 B8R0.9 COC(=O)CCC(F)F Amb27770565 [0,0,0,0,1,0|2,0,1]=4 1192 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [0,0,0,0,1,0|1,0,0]=2 1193 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [0,0,0,0,1,0|1,1,0]=3 1194 B8R0.9 COC(=O)CCN(C)C Amb7757843 [0,0,0,0,1,0|3,0,0]=4 1195 B8R0.9 COC(=O)CCS(=O)Cl Amb25944850 [0,0,0,0,1,0|2,0,0]=3 1196 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [0,0,0,0,1,0|1,0,0]=2 1197 B8R0.9 COC(=O)CCS(=O)[O-] Amb21520328 [0,0,0,0,1,0|1,0,1]=3 1198 B8R0.9 COC(=O)CCS(N)=O Amb32720304 [0,0,0,0,1,0|2,0,0]=3 1199 B8R0.9 COC(=O)CC[C@@H](C)N Amb24117060 [0,0,0,0,1,0|2,0,1]=4 1200 B8R0.9 COC(=O)CC[C@H](C)N Amb27950697 [0,0,0,0,1,0|2,0,1]=4 1201 B8R0.9 COC(=O)CC[N+](=O)[O-] Amb26494342 [0,0,0,0,1,0|1,0,1]=3 1202 B8R0.9 COC(=O)CNC(=N)N Amb27259956 [0,0,0,0,1,0|3,0,0]=4 1203 B8R0.9 COC(=O)CNC(C)=O Amb3886556 [0,0,0,0,1,0|2,0,0]=3 1204 B8R0.9 COC(=O)CNC(N)=O Amb1126846 [0,0,0,0,1,0|2,0,0]=3 1205 B8R0.9 COC(=O)CNC(N)=S Amb9212124 [0,0,0,0,1,0|2,1,0]=4 1206 B8R0.9 COC(=O)COC(C)=O Amb28049254 [0,0,0,0,1,0|2,0,0]=3 1207 B8R0.9 COC(=O)CSC(=N)N Amb20676059 [0,0,0,0,1,0|3,0,0]=4 1208 B8R0.9 COC(=O)NCC(=O)Cl Amb28388481 [0,0,0,0,1,0|2,0,0]=3 1209 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [0,0,0,0,1,0|1,0,0]=2 1210 B8R0.9 COC(=O)NCC(C)=O Amb28461105 [0,0,0,0,1,0|2,0,0]=3 1211 B8R0.9 COC(=O)NCC(C)O Amb9285615 [0,0,0,0,1,0|2,0,1]=4 1212 B8R0.9 COC(=O)NCC(N)=O Amb27640170 [0,0,0,0,1,0|2,0,0]=3 1213 B8R0.9 COC(=O)NC[C@@H](C)O Amb28204216 [0,0,0,0,1,0|2,0,1]=4 1214 B8R0.9 COC(=O)NNC(N)=O Amb27643836 [0,0,0,0,1,0|3,0,0]=4 1215 B8R0.9 COC(=O)OCC(=O)Cl Amb8393900 [0,0,0,0,1,0|2,0,0]=3 1216 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [0,0,0,0,1,0|1,0,0]=2 1217 B8R0.9 COC(=O)\C=C/C(=O)O Amb6295872 [0,0,0,0,1,0|0,0,2]=3 1218 B8R0.9 COC(=O)\C=C\C(=O)Cl Amb32664984 [0,0,0,0,1,0|1,0,2]=4 1219 B8R0.9 COC(=O)\C=C\C(=O)O Amb33511119 [0,0,0,0,1,0|0,0,2]=3 1220 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [0,0,0,0,1,0|1,0,2]=4 1221 B8R0.9 COC(=S)SCC(=O)O Amb26653180 [0,0,0,0,1,0|1,1,0]=3 1222 B8R0.9 COC(=S)SCC(N)=O Amb28325528 [0,0,0,0,1,0|2,1,0]=4 1223 B8R0.9 COC(C)CCC(=O)O Amb24271104 [0,0,0,0,1,0|1,0,1]=3 1224 B8R0.9 COC(C)CCC(C)=O Amb25880180 [0,0,0,0,1,0|2,0,1]=4 1225 B8R0.9 CON(C)CCC(=O)O Amb27881744 [0,0,0,0,1,0|2,0,0]=3 1226 B8R0.9 CO[C@@H](C)CCC(=O)O Amb28241276 [0,0,0,0,1,0|1,0,1]=3 1227 B8R0.9 CO\C(C)=C\CC(=O)O Amb27963206 [0,0,0,0,1,0|1,0,1]=3 1228 B8R0.9 CO\P(=O)=C\CC(=O)O Amb27199324 [0,0,0,0,1,0|1,0,1]=3 1229 B8R0.9 CSC(=O)CCC(C)O Amb28065144 [0,0,0,0,1,0|1,1,1]=4 1230 B8R0.9 CSC(C)CCC(=O)O Amb22059071 [0,0,0,0,1,0|1,1,1]=4 1231 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [0,0,0,0,1,0|3,0,0]=4 1232 B8R0.9 C\C=C(\C)CCC(C)=O Amb24610198 [0,0,0,0,1,0|3,0,0]=4 1233 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [0,0,0,0,1,0|2,0,0]=3 1234 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [0,0,0,0,1,0|2,0,0]=3 1235 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [0,0,0,0,1,0|3,0,0]=4 1236 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [0,0,0,0,1,0|3,0,0]=4 1237 B8R0.9 NNC(=O)CCC(N)=O Amb595603 [0,0,0,0,1,0|3,0,0]=4 1238 B8R0.9 NNC(=O)NCC(=O)O Amb27623574 [0,0,0,0,1,0|3,0,0]=4 1239 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [0,0,0,0,1,0|2,0,0]=3 1240 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [0,0,0,0,1,0|2,0,1]=4 1241 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [0,0,0,0,1,0|3,0,0]=4 1242 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [0,0,0,0,1,0|3,0,0]=4 1243 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [0,0,0,0,1,0|3,0,0]=4 1244 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [0,0,0,0,1,0|3,0,0]=4 1245 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [0,0,0,0,1,0|2,0,0]=3 1246 B10R0.55 C#CC(=O)NCCCC(=O)O Amb6278585 [0,0,0,0,0,1|1,0,1]=3 1247 B10R0.55 C=CC(=O)NCCCC(=O)O Amb6264090 [0,0,0,0,0,1|1,0,1]=3 1248 B10R0.55 CCC(=O)CCCCC(=O)O Amb6305227 [0,0,0,0,0,1|1,0,0]=2 1249 B10R0.55 CCC(=O)NCCNC(N)=O Amb27670229 [0,0,0,0,0,1|3,0,0]=4 1250 B10R0.55 CCC(C)CCCCC(=O)O Amb24271145 [0,0,0,0,0,1|2,0,1]=4 1251 B10R0.55 CNC(=O)CCCCC(=O)O Amb9390746 [0,0,0,0,0,1|1,0,0]=2 1252 B10R0.55 CNC(=O)CCCNC(=N)N Amb26999879 [0,0,0,0,0,1|3,0,0]=4 1253 B10R0.55 CNC(=O)CCCNC(C)=N Amb28080489 [0,0,0,0,0,1|3,0,0]=4 1254 B10R0.55 CNC(=O)CCCNC(C)=O Amb27673634 [0,0,0,0,0,1|2,0,0]=3 1255 B10R0.55 CNC(=O)CCCNC(N)=O Amb26990808 [0,0,0,0,0,1|2,0,0]=3 1256 B10R0.55 CNC(=O)CCCNC(N)=S Amb28080488 [0,0,0,0,0,1|2,1,0]=4 1257 B10R0.55 CNC(=O)NCCCC(=N)N Amb27266819 [0,0,0,0,0,1|3,0,0]=4 1258 B10R0.55 CNC(=O)NCCCC(=O)O Amb18305512 [0,0,0,0,0,1|1,0,0]=2 1259 B10R0.55 CNC(=O)NCCCC(C)=O Amb27269776 [0,0,0,0,0,1|2,0,0]=3 1260 B10R0.55 CNC(=O)NCCCC(C)O Amb27268773 [0,0,0,0,0,1|2,0,1]=4 1261 B10R0.55 CNC(=O)NCCCC(N)=O Amb28387497 [0,0,0,0,0,1|2,0,0]=3 1262 B10R0.55 CNC(=O)NCCCC(N)=S Amb27266810 [0,0,0,0,0,1|2,1,0]=4 1263 B10R0.55 CNC(=O)NCCNC(C)=O Amb6846176 [0,0,0,0,0,1|3,0,0]=4 1264 B10R0.55 CNC(=O)NCCOC(N)=O Amb28387529 [0,0,0,0,0,1|3,0,0]=4 1265 B10R0.55 CNC(=S)NCCCC(N)=O Amb27266861 [0,0,0,0,0,1|2,1,0]=4 1266 B10R0.55 COC(=O)C#CCNC(C)=O Amb27232588 [0,0,0,0,0,1|1,0,2]=4 1267 B10R0.55 COC(=O)CCCCC(=O)O Amb3939891 [0,0,0,0,0,1|0,0,0]=1 1268 B10R0.55 COC(=O)CCCCC(C)=O Amb21858863 [0,0,0,0,0,1|1,0,0]=2 1269 B10R0.55 COC(=O)CCCCC(C)C Amb22887139 [0,0,0,0,0,1|2,0,1]=4 1270 B10R0.55 COC(=O)CCCCC(C)N Amb19515545 [0,0,0,0,0,1|2,0,1]=4 1271 B10R0.55 COC(=O)CCNCC(C)C Amb8830829 [0,0,0,0,0,1|2,0,1]=4 1272 B10R0.55 COC(=O)CCOCC(F)F Amb28653001 [0,0,0,0,0,1|2,0,1]=4 1273 B10R0.55 COC(=O)CNCCN(C)C Amb6714723 [0,0,0,0,0,1|3,0,0]=4 1274 B10R0.55 COC(=O)COCCC(C)C Amb9206364 [0,0,0,0,0,1|2,0,1]=4 1275 B10R0.55 COC(=O)CSCCC(=O)O Amb9005247 [0,0,0,0,0,1|0,0,0]=1 1276 B10R0.55 COC(=O)CSCCC(N)=S Amb2724563 [0,0,0,0,0,1|1,1,0]=3 1277 B10R0.55 COC(=O)C\C=C/NC(C)=O Amb27882897 [0,0,0,0,0,1|1,0,2]=4 1278 B10R0.55 COC(=O)C\C=C\OC(C)=O Amb17778579 [0,0,0,0,0,1|1,0,2]=4 1279 B10R0.55 COC(=O)NCCC=C(C)C Amb27988903 [0,0,0,0,0,1|2,0,1]=4 1280 B10R0.55 COC(=O)NCCCC(=O)O Amb6668735 [0,0,0,0,0,1|0,0,0]=1 1281 B10R0.55 COC(=O)NCCNC(=N)N Amb27989417 [0,0,0,0,0,1|3,0,0]=4 1282 B10R0.55 COC(=O)NCCNC(N)=O Amb28387514 [0,0,0,0,0,1|2,0,0]=3 1283 B10R0.55 COC(=O)\C=C\C=C\C(=O)O Amb17593891 [0,0,0,0,0,1|0,0,3]=4 1284 B10R0.55 NNC(=O)CCCNC(N)=O Amb26990810 [0,0,0,0,0,1|3,0,0]=4 1285 B10R0.55 NNC(=S)NCCCC(=O)O Amb27272376 [0,0,0,0,0,1|2,1,0]=4 1286 B10R0.55 O=C(O)CCCNC(=O)CCl Amb18791069 [0,0,0,0,0,1|2,0,0]=3 1287 B7R0.1 C=C=CCCCC=O Amb28144035 [2,0,0,0,0,0|1,0,1]=4 1288 B7R0.1 C=CCCC\C=C\C Amb24700388 [2,0,0,0,0,0|2,0,0]=4 1289 B7R0.1 CC#CCCCC=O Amb17593142 [2,0,0,0,0,0|1,0,1]=4 1290 B7R0.1 CCCCCCC=O Amb3939948 [2,0,0,0,0,0|1,0,1]=4 1291 B7R0.1 CCOCCCC=O Amb27236777 [2,0,0,0,0,0|2,0,0]=4 1292 B7R0.1 CCSCCCC=O Amb33323662 [2,0,0,0,0,0|2,0,0]=4 1293 B7R0.1 CC\C=C\CCC=O Amb27390797 [2,0,0,0,0,0|1,0,1]=4 1294 B7R0.1 COCCCCC=O Amb27410175 [2,0,0,0,0,0|0,0,1]=3 1295 B7R0.1 COCCCCCO Amb19374978 [2,0,0,0,0,0|0,0,2]=4 1296 B7R0.1 COCCOCC=O Amb26051823 [2,0,0,0,0,0|1,0,1]=4 1297 B7R0.1 COCOCCC=O Amb25804170 [2,0,0,0,0,0|1,0,1]=4 1298 B7R0.1 CO\C=C\CCC=O Amb18641790 [2,0,0,0,0,0|0,0,1]=3 1299 B7R0.1 CSCCCCC=O Amb25760866 [2,0,0,0,0,0|0,1,1]=4 1300 B7R0.1 C\C=C/CCCCO Amb4019856 [2,0,0,0,0,0|1,0,1]=4 1301 B7R0.1 C\C=C\CCNC=O Amb27874072 [2,0,0,0,0,0|2,0,0]=4 1302 B7R0.3 C#CC(=O)CCCO Amb27593195 [2,0,0,0,0,0|1,0,1]=4 1303 B7R0.3 C#CCCC(=O)OC Amb18115985 [2,0,0,0,0,0|0,0,2]=4 1304 B7R0.3 C=C(CC)CCC=O Amb27233336 [2,0,0,0,0,0|2,0,0]=4 1305 B7R0.3 C=C(CC)CCCO Amb26032857 [2,0,0,0,0,0|2,0,0]=4 1306 B7R0.3 C=CCCC(=O)CC Amb9031676 [2,0,0,0,0,0|1,0,1]=4 1307 B7R0.3 C=CCCC(=O)NC Amb25041195 [2,0,0,0,0,0|1,0,1]=4 1308 B7R0.3 C=CCCC(=O)OC Amb2369959 [2,0,0,0,0,0|0,0,1]=3 1309 B7R0.3 C=CCNC(=O)OC Amb17794125 [2,0,0,0,0,0|1,0,1]=4 1310 B7R0.3 C=CCOC(=O)OC Amb8515646 [2,0,0,0,0,0|1,0,1]=4 1311 B7R0.3 CCC(=O)CCCBr Amb25765636 [2,0,0,0,0,0|2,0,0]=4 1312 B7R0.3 CCC(=O)CCCCl Amb17593423 [2,0,0,0,0,0|2,0,0]=4 1313 B7R0.3 CCC(=O)CCCN Amb18833012 [2,0,0,0,0,0|2,0,0]=4 1314 B7R0.3 CCC(=O)NCC=O Amb17102054 [2,0,0,0,0,0|2,0,0]=4 1315 B7R0.3 CCC(=O)NCCO Amb5797470 [2,0,0,0,0,0|2,0,0]=4 1316 B7R0.3 CCC(=O)OCCO Amb27217859 [2,0,0,0,0,0|2,0,0]=4 1317 B7R0.3 CCCCC(=N)OC Amb17617956 [2,0,0,0,0,0|1,0,1]=4 1318 B7R0.3 CCCCC(=N)OC Amb25353357 [2,0,0,0,0,0|1,0,1]=4 1319 B7R0.3 CCCCC(=O)CC Amb4605999 [2,0,0,0,0,0|1,0,1]=4 1320 B7R0.3 CCCCC(=O)NC Amb5797766 [2,0,0,0,0,0|1,0,1]=4 1321 B7R0.3 CCCOC(=O)OC Amb27153532 [2,0,0,0,0,0|1,0,1]=4 1322 B7R0.3 CCNCC(=O)OC Amb19514718 [2,0,0,0,0,0|1,0,1]=4 1323 B7R0.3 CCNCC(=O)OC Amb6687125 [2,0,0,0,0,0|1,0,1]=4 1324 B7R0.3 CCOCC(=O)OC Amb7753022 [2,0,0,0,0,0|1,0,1]=4 1325 B7R0.3 CCSCC(=O)OC Amb7753193 [2,0,0,0,0,0|1,0,1]=4 1326 B7R0.3 CNC(=O)CCCCl Amb1137464 [2,0,0,0,0,0|2,0,0]=4 1327 B7R0.3 CNC(=O)CCCI Amb27625606 [2,0,0,0,0,0|2,0,0]=4 1328 B7R0.3 CNC(=O)CCCN Amb6263864 [2,0,0,0,0,0|2,0,0]=4 1329 B7R0.3 CNC(=O)CCCN Amb9176288 [2,0,0,0,0,0|2,0,0]=4 1330 B7R0.3 CNC(=O)CCCO Amb17231829 [2,0,0,0,0,0|1,0,0]=3 1331 B7R0.3 CNC(=O)CCCS Amb27259921 [2,0,0,0,0,0|1,1,0]=4 1332 B7R0.3 CNC(=O)NCCO Amb24376074 [2,0,0,0,0,0|2,0,0]=4 1333 B7R0.3 CNC(=O)OCCO Amb3939460 [2,0,0,0,0,0|2,0,0]=4 1334 B7R0.3 CNCCC(=O)OC Amb22168213 [2,0,0,0,0,0|1,0,1]=4 1335 B7R0.3 CNCCC(=O)OC Amb7969878 [2,0,0,0,0,0|1,0,1]=4 1336 B7R0.3 COC(=N)CCCCl Amb16231406 [2,0,0,0,0,0|2,0,0]=4 1337 B7R0.3 COC(=N)CCCCl Amb27631457 [2,0,0,0,0,0|2,0,0]=4 1338 B7R0.3 COC(=N)CCCS Amb27628992 [2,0,0,0,0,0|1,1,0]=4 1339 B7R0.3 COC(=O)C#CC=O Amb27441102 [2,0,0,0,0,0|0,0,2]=4 1340 B7R0.3 COC(=O)C#CCO Amb16233601 [2,0,0,0,0,0|0,0,2]=4 1341 B7R0.3 COC(=O)CCC#N Amb2689406 [2,0,0,0,0,0|1,0,1]=4 1342 B7R0.3 COC(=O)CCC=O Amb18124259 [2,0,0,0,0,0|0,0,0]=2 1343 B7R0.3 COC(=O)CCCBr Amb8516943 [2,0,0,0,0,0|1,0,0]=3 1344 B7R0.3 COC(=O)CCCCl Amb3940271 [2,0,0,0,0,0|1,0,0]=3 1345 B7R0.3 COC(=O)CCCI Amb3941711 [2,0,0,0,0,0|1,0,0]=3 1346 B7R0.3 COC(=O)CCCN Amb402626 [2,0,0,0,0,0|1,0,0]=3 1347 B7R0.3 COC(=O)CCCS Amb19373761 [2,0,0,0,0,0|0,1,0]=3 1348 B7R0.3 COC(=O)CCC[NH3+] Amb2778689 [2,0,0,0,0,0|1,0,0]=3 1349 B7R0.3 COC(=O)CCON Amb29848091 [2,0,0,0,0,0|2,0,0]=4 1350 B7R0.3 COC(=O)CCSC Amb8393179 [2,0,0,0,0,0|1,0,1]=4 1351 B7R0.3 COC(=O)CN=C=O Amb3905407 [2,0,0,0,0,0|1,0,1]=4 1352 B7R0.3 COC(=O)CNC=O Amb22000868 [2,0,0,0,0,0|1,0,0]=3 1353 B7R0.3 COC(=O)CNC=S Amb27839121 [2,0,0,0,0,0|1,1,0]=4 1354 B7R0.3 COC(=O)CSCBr Amb28458464 [2,0,0,0,0,0|2,0,0]=4 1355 B7R0.3 COC(=O)C\C=C\Cl Amb28458363 [2,0,0,0,0,0|1,0,1]=4 1356 B7R0.3 COC(=O)NCC=O Amb27839038 [2,0,0,0,0,0|1,0,0]=3 1357 B7R0.3 COC(=O)NCCN Amb18970459 [2,0,0,0,0,0|2,0,0]=4 1358 B7R0.3 COC(=O)NCCN Amb28934803 [2,0,0,0,0,0|2,0,0]=4 1359 B7R0.3 COC(=O)NCCO Amb9285601 [2,0,0,0,0,0|1,0,0]=3 1360 B7R0.3 COC(=O)OCC=O Amb28208420 [2,0,0,0,0,0|1,0,0]=3 1361 B7R0.3 COC(=O)OCCBr Amb27228663 [2,0,0,0,0,0|2,0,0]=4 1362 B7R0.3 COC(=O)SCCCl Amb27640237 [2,0,0,0,0,0|2,0,0]=4 1363 B7R0.3 COC(=O)\C=C\C=O Amb18641759 [2,0,0,0,0,0|0,0,2]=4 1364 B7R0.3 COC(C)CCC=O Amb25917630 [2,0,0,0,0,0|1,0,1]=4 1365 B7R0.3 COCCC(=O)OC Amb6296150 [2,0,0,0,0,0|1,0,1]=4 1366 B7R0.3 CON(C)CCCO Amb26370515 [2,0,0,0,0,0|2,0,0]=4 1367 B7R0.3 COS(=O)OCCO Amb27835054 [2,0,0,0,0,0|2,0,0]=4 1368 B7R0.3 CO\C(C)=C\CC=O Amb28283269 [2,0,0,0,0,0|1,0,1]=4 1369 B7R0.3 CSC(=O)CCCCl Amb27249585 [2,0,0,0,0,0|1,1,0]=4 1370 B7R0.3 C\C=C\CC(=O)OC Amb8394879 [2,0,0,0,0,0|1,0,1]=4 1371 B7R0.3 NNC(=O)CCCO Amb535400 [2,0,0,0,0,0|2,0,0]=4 1372 B7R0.3 O=C(CO)CCCO Amb27227084 [2,0,0,0,0,0|2,0,0]=4 1373 B7R0.3 O=CC(=O)CCCO Amb27751348 [2,0,0,0,0,0|2,0,0]=4 1374 B7R0.3 O=CCCC(=O)CO Amb27799816 [2,0,0,0,0,0|2,0,0]=4 1375 B7R0.3 [C-]#[N+]CCC(=O)OC Amb2689499 [2,0,0,0,0,0|1,0,1]=4 1376 B7R0.4 C#CCCCC(=O)O Amb2721705 [2,0,0,0,0,0|0,0,2]=4 1377 B7R0.4 C#CCCCC(C)=O Amb18115312 [2,0,0,0,0,0|1,0,1]=4 1378 B7R0.4 C=C(C)CCCCO Amb26872404 [2,0,0,0,0,0|1,0,1]=4 1379 B7R0.4 C=C(C)CCNC=O Amb27228134 [2,0,0,0,0,0|2,0,0]=4 1380 B7R0.4 C=C(C)COCC=O Amb27949608 [2,0,0,0,0,0|2,0,0]=4 1381 B7R0.4 C=C(Cl)CCCC=O Amb27751311 [2,0,0,0,0,0|1,0,1]=4 1382 B7R0.4 C=CCCCC(=O)Cl Amb8392411 [2,0,0,0,0,0|1,0,1]=4 1383 B7R0.4 C=CCCCC(=O)O Amb3941675 [2,0,0,0,0,0|0,0,1]=3 1384 B7R0.4 C=CCCCC(C)=O Amb17593171 [2,0,0,0,0,0|1,0,0]=3 1385 B7R0.4 C=CCCOC(C)=O Amb3940828 [2,0,0,0,0,0|2,0,0]=4 1386 B7R0.4 C=CCCSC(C)=O Amb24117956 [2,0,0,0,0,0|2,0,0]=4 1387 B7R0.4 C=CCNCC(=O)O Amb7766404 [2,0,0,0,0,0|1,0,1]=4 1388 B7R0.4 C=CCNCC(=O)O Amb8631497 [2,0,0,0,0,0|1,0,1]=4 1389 B7R0.4 C=CCOCC(=O)O Amb9208694 [2,0,0,0,0,0|1,0,1]=4 1390 B7R0.4 C=CCOCC(C)=O Amb27829146 [2,0,0,0,0,0|2,0,0]=4 1391 B7R0.4 C=CCSCC(=O)O Amb33526723 [2,0,0,0,0,0|1,0,1]=4 1392 B7R0.4 C=CNCCC(=O)O Amb27429817 [2,0,0,0,0,0|1,0,1]=4 1393 B7R0.4 C=COCCC(=O)O Amb28350126 [2,0,0,0,0,0|1,0,1]=4 1394 B7R0.4 CC#CCCC(=O)O Amb3987196 [2,0,0,0,0,0|0,0,2]=4 1395 B7R0.4 CC(=O)CCCC#N Amb17106756 [2,0,0,0,0,0|1,0,1]=4 1396 B7R0.4 CC(=O)CCCCBr Amb16234126 [2,0,0,0,0,0|1,0,1]=4 1397 B7R0.4 CC(=O)CCCCCl Amb3941549 [2,0,0,0,0,0|1,0,1]=4 1398 B7R0.4 CC(=O)CCCCF Amb27490855 [2,0,0,0,0,0|1,0,1]=4 1399 B7R0.4 CC(=O)CCCCN Amb27401218 [2,0,0,0,0,0|1,0,1]=4 1400 B7R0.4 CC(=O)CCCCO Amb10603864 [2,0,0,0,0,0|0,0,1]=3 1401 B7R0.4 CC(=O)CC\C=N\O Amb27656180 [2,0,0,0,0,0|1,0,1]=4 1402 B7R0.4 CC(=O)COCCO Amb28122841 [2,0,0,0,0,0|1,0,1]=4 1403 B7R0.4 CC(=O)CSCCO Amb4165952 [2,0,0,0,0,0|1,0,1]=4 1404 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [2,0,0,0,0,0|0,0,2]=4 1405 B7R0.4 CC(=O)NCCC=O Amb17102165 [2,0,0,0,0,0|1,0,0]=3 1406 B7R0.4 CC(=O)NCCCO Amb3429354 [2,0,0,0,0,0|1,0,1]=4 1407 B7R0.4 CC(=O)OCCCO Amb25854267 [2,0,0,0,0,0|1,0,1]=4 1408 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|1,0,0]=3 1409 B7R0.4 CC(C)=CCCC=O Amb17593168 [2,0,0,0,0,0|1,0,1]=4 1410 B7R0.4 CC(C)CCCC=O Amb17940235 [2,0,0,0,0,0|1,0,1]=4 1411 B7R0.4 CC(Cl)CCCC=O Amb27983674 [2,0,0,0,0,0|1,0,1]=4 1412 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|0,0,2]=4 1413 B7R0.4 CCCCCC(=O)F Amb26061517 [2,0,0,0,0,0|1,0,1]=4 1414 B7R0.4 CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|0,0,1]=3 1415 B7R0.4 CCCCCC(=O)[O-] Amb22337624 [2,0,0,0,0,0|0,0,2]=4 1416 B7R0.4 CCCCCC(C)=O Amb6608885 [2,0,0,0,0,0|1,0,1]=4 1417 B7R0.4 CCCNCC(=O)O Amb10609640 [2,0,0,0,0,0|1,0,1]=4 1418 B7R0.4 CCCNCC(=O)O Amb1110628 [2,0,0,0,0,0|1,0,1]=4 1419 B7R0.4 CCCOCC(=O)O Amb8874504 [2,0,0,0,0,0|1,0,1]=4 1420 B7R0.4 CCCSCC(=O)O Amb1137113 [2,0,0,0,0,0|1,0,1]=4 1421 B7R0.4 CCNCCC(=O)O Amb28934794 [2,0,0,0,0,0|1,0,1]=4 1422 B7R0.4 CCNCCC(=O)O Amb7766402 [2,0,0,0,0,0|1,0,1]=4 1423 B7R0.4 CCOCCC(=O)O Amb3939859 [2,0,0,0,0,0|1,0,1]=4 1424 B7R0.4 CCSCCC(=O)O Amb6273140 [2,0,0,0,0,0|1,0,1]=4 1425 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [2,0,0,0,0,0|1,0,1]=4 1426 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [2,0,0,0,0,0|1,0,1]=4 1427 B7R0.4 CN(C)CCCC=O Amb22753951 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.4 CN(C)CCCC=O Amb24117840 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|1,0,0]=3 1430 B7R0.4 CNCCCC(=O)O Amb4521435 [2,0,0,0,0,0|1,0,0]=3 1431 B7R0.4 CNCCCC(C)=O Amb27838406 [2,0,0,0,0,0|2,0,0]=4 1432 B7R0.4 CNCCCC(N)=O Amb18303611 [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.4 CNCCCC(N)=O Amb31307731 [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.4 COCC#CC(=O)O Amb33544473 [2,0,0,0,0,0|0,0,2]=4 1435 B7R0.4 COCCCB(O)O Amb27754195 [2,0,0,0,0,0|1,0,1]=4 1436 B7R0.4 COCCCC(=N)N Amb19269156 [2,0,0,0,0,0|2,0,0]=4 1437 B7R0.4 COCCCC(=N)N Amb6266770 [2,0,0,0,0,0|2,0,0]=4 1438 B7R0.4 COCCCC(=O)O Amb6275629 [2,0,0,0,0,0|0,0,0]=2 1439 B7R0.4 COCCCC(C)=O Amb9031556 [2,0,0,0,0,0|1,0,0]=3 1440 B7R0.4 COCCCC(C)O Amb4020863 [2,0,0,0,0,0|1,0,1]=4 1441 B7R0.4 COCCCC(N)=S Amb6270649 [2,0,0,0,0,0|1,1,0]=4 1442 B7R0.4 COCCCN(C)O Amb33377831 [2,0,0,0,0,0|2,0,0]=4 1443 B7R0.4 COCCCS(=O)Cl Amb26013061 [2,0,0,0,0,0|2,0,0]=4 1444 B7R0.4 COCCCS(=O)[O-] Amb27974844 [2,0,0,0,0,0|1,0,1]=4 1445 B7R0.4 COCCCS(N)=O Amb32720360 [2,0,0,0,0,0|2,0,0]=4 1446 B7R0.4 COCCC[C@@H](C)O Amb33428680 [2,0,0,0,0,0|1,0,1]=4 1447 B7R0.4 COCCC[C@H](C)O Amb27396064 [2,0,0,0,0,0|1,0,1]=4 1448 B7R0.4 COCCC[N+](=O)[O-] Amb33428678 [2,0,0,0,0,0|1,0,1]=4 1449 B7R0.4 COCCNC(C)=O Amb3358082 [2,0,0,0,0,0|2,0,0]=4 1450 B7R0.4 COCCNC(N)=O Amb1104938 [2,0,0,0,0,0|2,0,0]=4 1451 B7R0.4 COCCOC(=O)Cl Amb2689125 [2,0,0,0,0,0|2,0,0]=4 1452 B7R0.4 COCCOC(C)=O Amb4037074 [2,0,0,0,0,0|2,0,0]=4 1453 B7R0.4 COCCOC(N)=O Amb25054225 [2,0,0,0,0,0|2,0,0]=4 1454 B7R0.4 COCOCC(=O)O Amb28059312 [2,0,0,0,0,0|1,0,0]=3 1455 B7R0.4 COCSCC(=O)O Amb27466837 [2,0,0,0,0,0|1,0,0]=3 1456 B7R0.4 COC\C=C\C(=O)O Amb33986212 [2,0,0,0,0,0|0,0,2]=4 1457 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|0,1,0]=3 1458 B7R0.4 CSCCCC(C)=O Amb25122381 [2,0,0,0,0,0|1,1,0]=4 1459 B7R0.4 CSCSCC(=O)O Amb27858824 [2,0,0,0,0,0|1,1,0]=4 1460 B7R0.4 CSSCCC(=O)O Amb26848465 [2,0,0,0,0,0|1,1,0]=4 1461 B7R0.4 CS\C=C\CC(=O)O Amb26656267 [2,0,0,0,0,0|0,1,1]=4 1462 B7R0.4 C\C(Cl)=C\CCC=O Amb27792418 [2,0,0,0,0,0|1,0,1]=4 1463 B7R0.4 C\C=C\CCC(=O)O Amb34910859 [2,0,0,0,0,0|0,0,1]=3 1464 B7R0.4 C\C=C\CCC(C)=O Amb9031579 [2,0,0,0,0,0|1,0,1]=4 1465 B7R0.4 N#CCCCC(=O)O Amb33542831 [2,0,0,0,0,0|1,0,1]=4 1466 B7R0.4 NC(=O)CCCCO Amb3939470 [2,0,0,0,0,0|1,0,1]=4 1467 B7R0.4 NCCCCC(=O)O Amb2780021 [2,0,0,0,0,0|1,0,1]=4 1468 B7R0.4 NCCCCC(=O)O Amb3941646 [2,0,0,0,0,0|1,0,1]=4 1469 B7R0.4 NCCCCC(=O)O Amb9825855 [2,0,0,0,0,0|1,0,1]=4 1470 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|1,0,0]=3 1471 B7R0.4 NOCCCC(=O)O Amb22011795 [2,0,0,0,0,0|1,0,0]=3 1472 B7R0.4 NOCCCC(=O)O Amb31283653 [2,0,0,0,0,0|1,0,0]=3 1473 B7R0.4 O=C(O)CCCCBr Amb6608763 [2,0,0,0,0,0|1,0,1]=4 1474 B7R0.4 O=C(O)CCCCCl Amb3940369 [2,0,0,0,0,0|1,0,1]=4 1475 B7R0.4 O=C(O)CCCCF Amb26639920 [2,0,0,0,0,0|1,0,1]=4 1476 B7R0.4 O=C(O)CCCCO Amb9214971 [2,0,0,0,0,0|0,0,1]=3 1477 B7R0.4 O=C(O)CCCCS Amb17503767 [2,0,0,0,0,0|0,1,1]=4 1478 B7R0.4 O=C(O)CCCNCl Amb27173950 [2,0,0,0,0,0|2,0,0]=4 1479 B7R0.4 O=C(O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 1480 B7R0.4 O=C(O)CC\C=N\O Amb27211579 [2,0,0,0,0,0|1,0,1]=4 1481 B7R0.4 O=C(O)CNCCO Amb9325653 [2,0,0,0,0,0|1,0,1]=4 1482 B7R0.4 O=C(O)COCCO Amb6680914 [2,0,0,0,0,0|1,0,1]=4 1483 B7R0.4 O=C([O-])CCCCO Amb13952763 [2,0,0,0,0,0|0,0,2]=4 1484 B7R0.4 O=C([O-])CCCCO Amb22749314 [2,0,0,0,0,0|0,0,2]=4 1485 B7R0.4 O=C=NCCC(=O)O Amb26053417 [2,0,0,0,0,0|1,0,1]=4 1486 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 1487 B7R0.4 O=CCCCC(O)O Amb25889261 [2,0,0,0,0,0|0,0,2]=4 1488 B7R0.4 O=CNCCC(=O)O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 1489 B7R0.4 O=CNOCC(=O)O Amb27477273 [2,0,0,0,0,0|2,0,0]=4 1490 B7R0.4 O=NSCCC(=O)O Amb28429846 [2,0,0,0,0,0|2,0,0]=4 1491 B9R0.5 C#CCCCC(=O)COC Amb28041300 [1,1,0,0,0,0|1,0,1]=4 1492 B9R0.5 C#CCCCC(=O)OCC Amb18115788 [1,1,0,0,0,0|1,0,1]=4 1493 B9R0.5 C=CCCCC(=O)CCO Amb27262946 [1,1,0,0,0,0|2,0,0]=4 1494 B9R0.5 C=CCCCC(=O)CSC Amb28182451 [1,1,0,0,0,0|1,1,0]=4 1495 B9R0.5 C=CCCNC(=O)OCC Amb27237340 [1,1,0,0,0,0|2,0,0]=4 1496 B9R0.5 C=CCNCC(=O)COC Amb28050357 [1,1,0,0,0,0|2,0,0]=4 1497 B9R0.5 C=CCNCC(=O)OCC Amb6706547 [1,1,0,0,0,0|2,0,0]=4 1498 B9R0.5 C=CCOCC(=O)OCC Amb9208693 [1,1,0,0,0,0|2,0,0]=4 1499 B9R0.5 C=CCSCC(=O)COC Amb27777112 [1,1,0,0,0,0|2,0,0]=4 1500 B9R0.5 C=CCSCC(=O)NOC Amb27650113 [1,1,0,0,0,0|2,0,0]=4 1501 B9R0.5 CCCC(=O)NCCC=O Amb17102167 [1,1,0,0,0,0|2,0,0]=4 1502 B9R0.5 CCCC(=O)OCCC=O Amb28049893 [1,1,0,0,0,0|2,0,0]=4 1503 B9R0.5 CCCCCC(=O)COC Amb27171123 [1,1,0,0,0,0|1,0,1]=4 1504 B9R0.5 CCNC(=O)CCNC=O Amb27255900 [1,1,0,0,0,0|2,0,0]=4 1505 B9R0.5 CCOC(=O)CCCC#N Amb16233123 [1,1,0,0,0,0|1,0,1]=4 1506 B9R0.5 CCOC(=O)CCCC=O Amb22230665 [1,1,0,0,0,0|0,0,0]=2 1507 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [1,1,0,0,0,0|1,0,1]=4 1508 B9R0.5 CCOC(=O)CCCCI Amb4006406 [1,1,0,0,0,0|1,0,1]=4 1509 B9R0.5 CCOC(=O)CCCCN Amb10807401 [1,1,0,0,0,0|1,0,1]=4 1510 B9R0.5 CCOC(=O)CCCCN Amb33527726 [1,1,0,0,0,0|1,0,1]=4 1511 B9R0.5 CCOC(=O)CCCNC Amb9204023 [1,1,0,0,0,0|2,0,0]=4 1512 B9R0.5 CCOC(=O)CCCOC Amb27837737 [1,1,0,0,0,0|2,0,0]=4 1513 B9R0.5 CCOC(=O)CCCSC Amb25058939 [1,1,0,0,0,0|2,0,0]=4 1514 B9R0.5 CCOC(=O)CCN=C=O Amb3939286 [1,1,0,0,0,0|1,0,1]=4 1515 B9R0.5 CCOC(=O)COCCO Amb24113532 [1,1,0,0,0,0|1,0,1]=4 1516 B9R0.5 CCOC(=O)OCCC=O Amb28287679 [1,1,0,0,0,0|1,0,0]=3 1517 B9R0.5 CCOC(=O)OCCCO Amb28050600 [1,1,0,0,0,0|1,0,1]=4 1518 B9R0.5 CCOC(=O)OCNC=O Amb22370493 [1,1,0,0,0,0|2,0,0]=4 1519 B9R0.5 CCOC(=O)\C=C\CC=O Amb26587773 [1,1,0,0,0,0|0,0,2]=4 1520 B9R0.5 CCOC(C)CCCC=O Amb33424998 [1,1,0,0,0,0|1,0,1]=4 1521 B9R0.5 CC\C=C(\C)CCCC=O Amb27850024 [1,1,0,0,0,0|2,0,0]=4 1522 B9R0.5 COCC(=O)CCCCN Amb28050471 [1,1,0,0,0,0|1,0,1]=4 1523 B9R0.5 COCC(=O)OCCCO Amb26408081 [1,1,0,0,0,0|1,0,1]=4 1524 B9R0.5 CONC(=O)CCCCBr Amb27823947 [1,1,0,0,0,0|1,0,1]=4 1525 B9R0.5 CO\C=C(/C)CCCC=O Amb27199142 [1,1,0,0,0,0|1,0,0]=3 1526 B9R0.5 CO\C=C(\C)CCCCO Amb27427194 [1,1,0,0,0,0|1,0,1]=4 1527 B9R0.5 C\C(=C/CO)CCCC=O Amb28287918 [1,1,0,0,0,0|2,0,0]=4 1528 B9R0.5 C\C=C\C(=O)CCCC=O Amb25743030 [1,1,0,0,0,0|1,0,0]=3 1529 B9R0.5 C\C=C\C(=O)OCCC=O Amb27401196 [1,1,0,0,0,0|2,0,0]=4 1530 B9R0.5 C\C=C\CCC(=O)COC Amb27424966 [1,1,0,0,0,0|1,0,1]=4 1531 B9R0.5 [C-]#[N+]CCCC(=O)OCC Amb2235706 [1,1,0,0,0,0|2,0,0]=4 1532 B9R0.8 C#CCCC(N)C(=O)OC Amb28135954 [1,1,0,0,0,0|1,0,1]=4 1533 B9R0.8 C#CCC[C@H](N)C(=O)OC Amb27640594 [1,1,0,0,0,0|1,0,1]=4 1534 B9R0.8 C=C(CCC=O)C(=O)OC Amb28368319 [1,1,0,0,0,0|0,0,1]=3 1535 B9R0.8 C=CCCC(N)C(=O)OC Amb27866671 [1,1,0,0,0,0|1,0,0]=3 1536 B9R0.8 C=CCCC(N)C(=O)OC Amb32794772 [1,1,0,0,0,0|1,0,0]=3 1537 B9R0.8 C=CCCC(O)C(=O)OC Amb27669786 [1,1,0,0,0,0|1,0,0]=3 1538 B9R0.8 C=CCC[C@@H](N)C(=O)OC Amb27389875 [1,1,0,0,0,0|1,0,0]=3 1539 B9R0.8 C=CCC[C@H](N)C(=O)OC Amb28134398 [1,1,0,0,0,0|1,0,0]=3 1540 B9R0.8 C=CCNC(C)C(=O)OC Amb24411113 [1,1,0,0,0,0|2,0,0]=4 1541 B9R0.8 C=CCOC(C)C(=O)OC Amb26924891 [1,1,0,0,0,0|2,0,0]=4 1542 B9R0.8 C=CCO[C@H](C)C(=O)OC Amb27839406 [1,1,0,0,0,0|2,0,0]=4 1543 B9R0.8 C=CCSC(C)C(=O)OC Amb28397165 [1,1,0,0,0,0|2,0,0]=4 1544 B9R0.8 CCC(=O)C(C)CCCO Amb28314429 [1,1,0,0,0,0|1,0,1]=4 1545 B9R0.8 CCCCC(Br)C(=O)OC Amb19514695 [1,1,0,0,0,0|1,0,1]=4 1546 B9R0.8 CCCCC(N)C(=O)OC Amb9330294 [1,1,0,0,0,0|1,0,1]=4 1547 B9R0.8 CCCCC(N)C(=O)OC Amb9825492 [1,1,0,0,0,0|1,0,1]=4 1548 B9R0.8 CCCCC(S)C(=O)OC Amb24745120 [1,1,0,0,0,0|1,0,1]=4 1549 B9R0.8 CCCC[C@@H](C)C(=O)OC Amb27172534 [1,1,0,0,0,0|1,0,1]=4 1550 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb16183949 [1,1,0,0,0,0|1,0,1]=4 1551 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,1,0,0,0,0|1,0,1]=4 1552 B9R0.8 CCCC[C@H](Cl)C(=O)OC Amb27823590 [1,1,0,0,0,0|1,0,1]=4 1553 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,1,0,0,0,0|1,0,1]=4 1554 B9R0.8 CCCC[C@H](N)C(=O)OC Amb26391986 [1,1,0,0,0,0|1,0,1]=4 1555 B9R0.8 CCCC[C@H](O)C(=O)OC Amb27589932 [1,1,0,0,0,0|1,0,1]=4 1556 B9R0.8 CNCCC(N)C(=O)OC Amb32993440 [1,1,0,0,0,0|2,0,0]=4 1557 B9R0.8 COC(=O)C(Br)CCCBr Amb10071878 [1,1,0,0,0,0|1,0,1]=4 1558 B9R0.8 COC(=O)C(C)CCCCl Amb27626035 [1,1,0,0,0,0|1,0,1]=4 1559 B9R0.8 COC(=O)C(C)CCCN Amb25904967 [1,1,0,0,0,0|1,0,1]=4 1560 B9R0.8 COC(=O)C(C)CN=C=O Amb27259674 [1,1,0,0,0,0|1,0,1]=4 1561 B9R0.8 COC(=O)C(C)CNC=O Amb27636245 [1,1,0,0,0,0|1,0,0]=3 1562 B9R0.8 COC(=O)C(C)NCCO Amb28137392 [1,1,0,0,0,0|1,0,1]=4 1563 B9R0.8 COC(=O)C(Cl)CCSC Amb18327893 [1,1,0,0,0,0|2,0,0]=4 1564 B9R0.8 COC(=O)C(Cl)CN=C=O Amb27863510 [1,1,0,0,0,0|1,0,1]=4 1565 B9R0.8 COC(=O)C(N)CCC#N Amb28076162 [1,1,0,0,0,0|1,0,1]=4 1566 B9R0.8 COC(=O)C(N)CCCF Amb26857313 [1,1,0,0,0,0|1,0,1]=4 1567 B9R0.8 COC(=O)C(N)CCCN Amb9871379 [1,1,0,0,0,0|1,0,1]=4 1568 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [1,1,0,0,0,0|0,0,1]=3 1569 B9R0.8 COC(=O)C(N)CCCS Amb27974600 [1,1,0,0,0,0|0,1,1]=4 1570 B9R0.8 COC(=O)C(N)CCSC Amb1152979 [1,1,0,0,0,0|2,0,0]=4 1571 B9R0.8 COC(=O)C(N)CCSC Amb2720119 [1,1,0,0,0,0|2,0,0]=4 1572 B9R0.8 COC(=O)C(N)CNC=O Amb28077501 [1,1,0,0,0,0|1,0,0]=3 1573 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb33066166 [1,1,0,0,0,0|1,0,1]=4 1574 B9R0.8 COC(=O)C(O)CCCBr Amb24759864 [1,1,0,0,0,0|1,0,1]=4 1575 B9R0.8 COC(=O)C(O)CCCCl Amb24480606 [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.8 COC(=O)C(O)CCCF Amb33196109 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.8 COC(=O)C(O)CCSC Amb18800831 [1,1,0,0,0,0|2,0,0]=4 1578 B9R0.8 COC(=O)C(S)CCCCl Amb27984780 [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.8 COC(=O)[C@@H](F)CN=C=O Amb33471420 [1,1,0,0,0,0|1,0,1]=4 1580 B9R0.8 COC(=O)[C@@H](N)CCCN Amb16236222 [1,1,0,0,0,0|1,0,1]=4 1581 B9R0.8 COC(=O)[C@@H](N)CCCO Amb27260220 [1,1,0,0,0,0|0,0,1]=3 1582 B9R0.8 COC(=O)[C@@H](N)CCON Amb27856127 [1,1,0,0,0,0|2,0,0]=4 1583 B9R0.8 COC(=O)[C@@H](N)CCSC Amb533934 [1,1,0,0,0,0|2,0,0]=4 1584 B9R0.8 COC(=O)[C@@H](N)CCSC Amb8390413 [1,1,0,0,0,0|2,0,0]=4 1585 B9R0.8 COC(=O)[C@@H](O)CCSC Amb28066926 [1,1,0,0,0,0|2,0,0]=4 1586 B9R0.8 COC(=O)[C@H](N)CCSC Amb3939028 [1,1,0,0,0,0|2,0,0]=4 1587 B9R0.8 COC(=O)[C@H](N)CCSC Amb9826085 [1,1,0,0,0,0|2,0,0]=4 1588 B9R0.8 COC(=O)[C@H](O)CCCO Amb27766582 [1,1,0,0,0,0|0,0,1]=3 1589 B9R0.8 COC(=O)[C@H](O)CCSC Amb28207376 [1,1,0,0,0,0|2,0,0]=4 1590 B9R0.8 COC(=O)\C(C)=C\CC=O Amb28411174 [1,1,0,0,0,0|0,0,2]=4 1591 B9R0.8 COC(C)C(O)CCC=O Amb27261367 [1,1,0,0,0,0|1,0,1]=4 1592 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [1,1,0,0,0,0|2,0,0]=4 1593 B9R0.8 COCCC(N)C(=O)OC Amb28555457 [1,1,0,0,0,0|2,0,0]=4 1594 B9R0.8 COCCC(O)C(=O)OC Amb26933750 [1,1,0,0,0,0|2,0,0]=4 1595 B9R0.8 COCC[C@H](N)C(=O)OC Amb27880632 [1,1,0,0,0,0|2,0,0]=4 1596 B9R0.8 C\C=C\CC(N)C(=O)OC Amb26348150 [1,1,0,0,0,0|1,0,1]=4 1597 B9R0.8 C\C=C\CC(O)C(=O)OC Amb27588872 [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.8 C\C=C\C[C@@H](N)C(=O)OC Amb27169570 [1,1,0,0,0,0|1,0,1]=4 1599 B9R0.20 CCS(=O)(=O)CCCC=O Amb28141925 [1,1,0,0,0,0|2,0,0]=4 1600 B9R0.20 COC(C)(C)CCCC=O Amb26450164 [1,1,0,0,0,0|1,0,1]=4 1601 B9R0.24 C#CC(O)CCC(=O)OC Amb27851096 [1,1,0,0,0,0|1,0,1]=4 1602 B9R0.24 C#C[C@@H](O)CCC(=O)OC Amb28207270 [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.24 C=C(C=O)CCC(=O)OC Amb27876497 [1,1,0,0,0,0|0,0,1]=3 1604 B9R0.24 C=CC(Br)CNC(=O)OC Amb27841703 [1,1,0,0,0,0|2,0,0]=4 1605 B9R0.24 C=CC(C)CCC(=O)CC Amb28141338 [1,1,0,0,0,0|2,0,0]=4 1606 B9R0.24 C=CC(Cl)CNC(=O)OC Amb27878634 [1,1,0,0,0,0|2,0,0]=4 1607 B9R0.24 C=CC(N)CCC(=O)OC Amb18124639 [1,1,0,0,0,0|1,0,0]=3 1608 B9R0.24 C=C[C@@H](N)CCC(=O)OC Amb27247194 [1,1,0,0,0,0|1,0,0]=3 1609 B9R0.24 CCC(=O)CCC(C)C=O Amb27424839 [1,1,0,0,0,0|1,0,0]=3 1610 B9R0.24 CCC(Br)CCC(=O)OC Amb28049989 [1,1,0,0,0,0|1,0,1]=4 1611 B9R0.24 CCC(C)CCC(=O)OC Amb25690993 [1,1,0,0,0,0|1,0,1]=4 1612 B9R0.24 CCC(Cl)CCC(=O)OC Amb28076681 [1,1,0,0,0,0|1,0,1]=4 1613 B9R0.24 CCC(N)CCC(=O)OC Amb26855249 [1,1,0,0,0,0|1,0,1]=4 1614 B9R0.24 CCC(N)CCC(=O)OC Amb33483211 [1,1,0,0,0,0|1,0,1]=4 1615 B9R0.24 CCC(O)CCC(=O)OC Amb25850223 [1,1,0,0,0,0|1,0,1]=4 1616 B9R0.24 CC[C@@H](O)CCC(=O)OC Amb24561650 [1,1,0,0,0,0|1,0,1]=4 1617 B9R0.24 COC(=O)CCC(=N)NO Amb27148692 [1,1,0,0,0,0|1,0,1]=4 1618 B9R0.24 COC(=O)CCC(=O)NO Amb28454716 [1,1,0,0,0,0|1,0,1]=4 1619 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [1,1,0,0,0,0|0,0,0]=2 1620 B9R0.24 COC(=O)CCC(C)CN Amb26032831 [1,1,0,0,0,0|1,0,1]=4 1621 B9R0.24 COC(=O)CCC(C)CO Amb28319952 [1,1,0,0,0,0|0,0,1]=3 1622 B9R0.24 COC(=O)CCC(C)OC Amb26355788 [1,1,0,0,0,0|2,0,0]=4 1623 B9R0.24 COC(=O)CCC(Cl)C=O Amb27760397 [1,1,0,0,0,0|0,0,0]=2 1624 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [1,1,0,0,0,0|1,0,1]=4 1625 B9R0.24 COC(=O)CCN(C)N=O Amb17618594 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.24 COC(=O)CC[C@@H](C)CN Amb27468094 [1,1,0,0,0,0|1,0,1]=4 1627 B9R0.24 COC(=O)CC[C@@H](C)CO Amb28050698 [1,1,0,0,0,0|0,0,1]=3 1628 B9R0.24 COC(=O)CC[C@@H](O)C#N Amb27763450 [1,1,0,0,0,0|1,0,1]=4 1629 B9R0.24 COC(=O)CC[C@@H](O)CO Amb27761525 [1,1,0,0,0,0|0,0,1]=3 1630 B9R0.24 COC(=O)CC[C@H](N)CF Amb27628411 [1,1,0,0,0,0|1,0,1]=4 1631 B9R0.24 COC(=O)CC[C@H](O)C#N Amb28050749 [1,1,0,0,0,0|1,0,1]=4 1632 B9R0.24 COC(=O)CC[C@H](O)CBr Amb27635803 [1,1,0,0,0,0|1,0,1]=4 1633 B9R0.24 COC(=O)CC\C(C)=N\O Amb28064373 [1,1,0,0,0,0|1,0,1]=4 1634 B9R0.24 COC(=O)NCC(C)CO Amb28286586 [1,1,0,0,0,0|1,0,1]=4 1635 B9R0.24 COC(=O)NCC(N)CO Amb27598507 [1,1,0,0,0,0|1,0,1]=4 1636 B9R0.24 COC(=O)NCC(O)CO Amb27876174 [1,1,0,0,0,0|1,0,1]=4 1637 B9R0.34 C=CC[C@@H](C)CC(=O)OC Amb27265905 [1,1,0,0,0,0|1,0,0]=3 1638 B9R0.34 CCC(=O)OC(C)CC=O Amb27754101 [1,1,0,0,0,0|2,0,0]=4 1639 B9R0.34 CCCC(C)CC(=O)OC Amb25125122 [1,1,0,0,0,0|1,0,1]=4 1640 B9R0.34 CCCC(Cl)CC(=O)OC Amb27233458 [1,1,0,0,0,0|1,0,1]=4 1641 B9R0.34 CCCC(N)CC(=O)OC Amb22059489 [1,1,0,0,0,0|1,0,1]=4 1642 B9R0.34 CCCC(N)CC(=O)OC Amb28555525 [1,1,0,0,0,0|1,0,1]=4 1643 B9R0.34 CCCC(O)CC(=O)OC Amb21928831 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.34 CCC[C@@H](N)CC(=O)OC Amb26034917 [1,1,0,0,0,0|1,0,1]=4 1645 B9R0.34 CCC[C@@H](N)CC(=O)OC Amb33456865 [1,1,0,0,0,0|1,0,1]=4 1646 B9R0.34 CCC[C@@H](O)CC(=O)OC Amb26516817 [1,1,0,0,0,0|1,0,1]=4 1647 B9R0.34 CCC[C@H](N)CC(=O)OC Amb25147500 [1,1,0,0,0,0|1,0,1]=4 1648 B9R0.34 CCC[C@H](N)CC(=O)OC Amb33457265 [1,1,0,0,0,0|1,0,1]=4 1649 B9R0.34 CCC[C@H](O)CC(=O)OC Amb26357957 [1,1,0,0,0,0|1,0,1]=4 1650 B9R0.34 CNC(=O)NC(C)CC=O Amb27804182 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.34 CNC[C@H](O)CC(=O)OC Amb28315995 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.34 COC(=O)CC(=O)CC=O Amb27799198 [1,1,0,0,0,0|0,0,1]=3 1653 B9R0.34 COC(=O)CC(C)CCN Amb24546678 [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.34 COC(=O)CC(C)N=C=O Amb27863975 [1,1,0,0,0,0|1,0,1]=4 1655 B9R0.34 COC(=O)CC(C)NC=O Amb27403115 [1,1,0,0,0,0|1,0,0]=3 1656 B9R0.34 COC(=O)CC(N)CCO Amb27250761 [1,1,0,0,0,0|0,0,1]=3 1657 B9R0.34 COC(=O)CC(O)CCF Amb33196113 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.34 COC(=O)CC(O)CSC Amb24412887 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.34 COC(=O)CN(C)CCO Amb27837585 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.34 COC(=O)C[C@@H](C)CCO Amb27946901 [1,1,0,0,0,0|0,0,1]=3 1661 B9R0.34 COC(=O)C[C@@H](C)N=C=O Amb33471399 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.34 COC(=O)C[C@@H](O)CC#N Amb27838940 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.34 COC(=O)C[C@@H](O)CCF Amb33196115 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.34 COC(=O)C[C@@H](O)CSC Amb25266160 [1,1,0,0,0,0|2,0,0]=4 1665 B9R0.34 COC(=O)C[C@H](C)N=C=O Amb33471412 [1,1,0,0,0,0|1,0,1]=4 1666 B9R0.34 COC(=O)C[C@H](O)CC#N Amb26319177 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.34 COC(=O)C[C@H](O)CCF Amb33196104 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.34 COC(=O)C[C@H](O)CSC Amb33271735 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.34 COC(=O)N[C@H](C)CCO Amb27261062 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.34 COC(=O)OC(C)CCO Amb28065268 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.34 COCC(N)CC(=O)OC Amb24393406 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.34 COCC(N)CC(=O)OC Amb32753354 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.34 COCC(O)CC(=O)OC Amb26613027 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.34 COC[C@@H](N)CC(=O)OC Amb25118860 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.34 COC[C@@H](N)CC(=O)OC Amb32674883 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.34 COC[C@@H](O)CC(=O)OC Amb27664269 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.34 COC[C@H](N)CC(=O)OC Amb24518573 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.34 COC[C@H](N)CC(=O)OC Amb33330971 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.34 COC[C@H](O)CC(=O)OC Amb26035488 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.34 C\C=C\C(O)CC(=O)OC Amb27171766 [1,1,0,0,0,0|1,0,1]=4 1681 B9R0.34 C\C=C\[C@@H](N)CC(=O)OC Amb27394449 [1,1,0,0,0,0|1,0,1]=4 1682 B9R0.34 C\C=C\[C@H](O)CC(=O)OC Amb27980361 [1,1,0,0,0,0|1,0,1]=4 1683 B9R0.46 C#CCCCCC(=O)OC Amb18636156 [1,1,0,0,0,0|1,0,1]=4 1684 B9R0.46 C#CCCCNC(=O)OC Amb28124676 [1,1,0,0,0,0|1,0,1]=4 1685 B9R0.46 C#CCOCCC(=O)OC Amb9208651 [1,1,0,0,0,0|1,0,1]=4 1686 B9R0.46 C=CCCCCC(=O)OC Amb27617093 [1,1,0,0,0,0|1,0,0]=3 1687 B9R0.46 C=CCCCNC(=O)CC Amb27835179 [1,1,0,0,0,0|2,0,0]=4 1688 B9R0.46 C=CCCCSC(=S)OC Amb28049723 [1,1,0,0,0,0|1,1,0]=4 1689 B9R0.46 C=CCNCCC(=O)OC Amb33550492 [1,1,0,0,0,0|1,0,0]=3 1690 B9R0.46 C=CCOCCC(=O)OC Amb9208692 [1,1,0,0,0,0|1,0,0]=3 1691 B9R0.46 C=CCSCCC(=O)OC Amb27875920 [1,1,0,0,0,0|1,0,0]=3 1692 B9R0.46 C=C\C=C\CCC(=O)OC Amb10605293 [1,1,0,0,0,0|1,0,1]=4 1693 B9R0.46 CCC(=O)CCCCCO Amb27627259 [1,1,0,0,0,0|1,0,1]=4 1694 B9R0.46 CCC(=O)NCCOC=O Amb27779565 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.46 CCC(=O)OCCCCO Amb26485117 [1,1,0,0,0,0|1,0,1]=4 1696 B9R0.46 CCCCCCC(=O)OC Amb9787230 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.46 CCCCCOC(=O)OC Amb26480707 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.46 CCCCSCC(=O)OC Amb9262932 [1,1,0,0,0,0|1,0,1]=4 1699 B9R0.46 CCNCCCC(=O)OC Amb22886193 [1,1,0,0,0,0|1,0,1]=4 1700 B9R0.46 CCNCCCC(=O)OC Amb8951853 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.46 CCOCCCC(=O)OC Amb8961279 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.46 CC\C=C\CCC(=O)OC Amb25350136 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.46 CNC(=O)CCCCC=O Amb25339730 [1,1,0,0,0,0|1,0,0]=3 1704 B9R0.46 CNC(=O)CCCCCO Amb27592471 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.46 CNC(=O)CCCNC=O Amb27959411 [1,1,0,0,0,0|1,0,0]=3 1706 B9R0.46 CNC(=O)CCCNOC Amb27838996 [1,1,0,0,0,0|2,0,0]=4 1707 B9R0.46 CNC(=O)CSCCC=O Amb27602014 [1,1,0,0,0,0|1,0,0]=3 1708 B9R0.46 CNCCCCC(=O)OC Amb25725637 [1,1,0,0,0,0|1,0,1]=4 1709 B9R0.46 CNCCCCC(=O)OC Amb32676714 [1,1,0,0,0,0|1,0,1]=4 1710 B9R0.46 CNCCOCC(=O)OC Amb27481250 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.46 CNCCSCC(=O)OC Amb18798231 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.46 COC(=O)C#CCCCO Amb22230916 [1,1,0,0,0,0|0,0,2]=4 1713 B9R0.46 COC(=O)CCCCC=O Amb16233585 [1,1,0,0,0,0|0,0,0]=2 1714 B9R0.46 COC(=O)CCCCCBr Amb4017062 [1,1,0,0,0,0|1,0,1]=4 1715 B9R0.46 COC(=O)CCCCCCl Amb25703167 [1,1,0,0,0,0|1,0,1]=4 1716 B9R0.46 COC(=O)CCCCCN Amb1152885 [1,1,0,0,0,0|1,0,1]=4 1717 B9R0.46 COC(=O)CCCCCN Amb1935045 [1,1,0,0,0,0|1,0,1]=4 1718 B9R0.46 COC(=O)CCCCCO Amb22002577 [1,1,0,0,0,0|0,0,1]=3 1719 B9R0.46 COC(=O)CCCCCS Amb25934957 [1,1,0,0,0,0|0,1,1]=4 1720 B9R0.46 COC(=O)CCCN=C=O Amb2688917 [1,1,0,0,0,0|0,0,1]=3 1721 B9R0.46 COC(=O)CCCN=C=S Amb2371146 [1,1,0,0,0,0|0,1,1]=4 1722 B9R0.46 COC(=O)CCCN=[N+]=[N-] Amb22586627 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.46 COC(=O)CCCNC=O Amb27615072 [1,1,0,0,0,0|0,0,0]=2 1724 B9R0.46 COC(=O)CCCSC#N Amb22230905 [1,1,0,0,0,0|1,0,1]=4 1725 B9R0.46 COC(=O)CCCSSC Amb32992714 [1,1,0,0,0,0|1,1,0]=4 1726 B9R0.46 COC(=O)CCC\C=C/Cl Amb28076519 [1,1,0,0,0,0|1,0,0]=3 1727 B9R0.46 COC(=O)CCNCC#N Amb27837578 [1,1,0,0,0,0|1,0,1]=4 1728 B9R0.46 COC(=O)CCNCCO Amb9243303 [1,1,0,0,0,0|0,0,1]=3 1729 B9R0.46 COC(=O)CCOCCN Amb26516683 [1,1,0,0,0,0|1,0,1]=4 1730 B9R0.46 COC(=O)CCOCCN Amb33330774 [1,1,0,0,0,0|1,0,1]=4 1731 B9R0.46 COC(=O)CCOCCO Amb33986072 [1,1,0,0,0,0|0,0,1]=3 1732 B9R0.46 COC(=O)CCSCCBr Amb26983185 [1,1,0,0,0,0|1,0,1]=4 1733 B9R0.46 COC(=O)CCSCCN Amb20623046 [1,1,0,0,0,0|1,0,1]=4 1734 B9R0.46 COC(=O)CCSCCN Amb20668423 [1,1,0,0,0,0|1,0,1]=4 1735 B9R0.46 COC(=O)CCSCCN Amb9482009 [1,1,0,0,0,0|1,0,1]=4 1736 B9R0.46 COC(=O)CNCCC#N Amb8390100 [1,1,0,0,0,0|1,0,1]=4 1737 B9R0.46 COC(=O)CNCCCO Amb9247002 [1,1,0,0,0,0|0,0,1]=3 1738 B9R0.46 COC(=O)CNCCSC Amb27244506 [1,1,0,0,0,0|2,0,0]=4 1739 B9R0.46 COC(=O)CNC\C=C\Cl Amb28411363 [1,1,0,0,0,0|1,0,1]=4 1740 B9R0.46 COC(=O)COCCCN Amb27597156 [1,1,0,0,0,0|1,0,1]=4 1741 B9R0.46 COC(=O)COCCSC Amb28256796 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.46 COC(=O)COCN=C=O Amb24363869 [1,1,0,0,0,0|1,0,1]=4 1743 B9R0.46 COC(=O)CSCCC#N Amb2724560 [1,1,0,0,0,0|1,0,1]=4 1744 B9R0.46 COC(=O)CSCCCCl Amb22524768 [1,1,0,0,0,0|1,0,1]=4 1745 B9R0.46 COC(=O)CSSCCO Amb26922212 [1,1,0,0,0,0|1,0,1]=4 1746 B9R0.46 COC(=O)C\C=C\CCO Amb28292442 [1,1,0,0,0,0|0,0,2]=4 1747 B9R0.46 COC(=O)NCCCCBr Amb27817636 [1,1,0,0,0,0|1,0,1]=4 1748 B9R0.46 COC(=O)NCCCCN Amb27259183 [1,1,0,0,0,0|1,0,1]=4 1749 B9R0.46 COC(=O)NCCCCO Amb27251899 [1,1,0,0,0,0|0,0,1]=3 1750 B9R0.46 COC(=O)NCCCSC Amb28050553 [1,1,0,0,0,0|2,0,0]=4 1751 B9R0.46 COC(=O)NCNCN=O Amb28198140 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.46 COC(=O)SSCCCO Amb28065222 [1,1,0,0,0,0|1,0,1]=4 1753 B9R0.46 COCCNCC(=O)OC Amb6707178 [1,1,0,0,0,0|1,0,1]=4 1754 B9R0.46 COCCOCC(=O)OC Amb9206379 [1,1,0,0,0,0|1,0,1]=4 1755 B9R0.46 COCCSCC(=O)OC Amb9238654 [1,1,0,0,0,0|1,0,1]=4 1756 B9R0.46 CONCCCC(=O)OC Amb27250548 [1,1,0,0,0,0|1,0,0]=3 1757 B9R0.46 CSC(=O)NCCCCO Amb27614137 [1,1,0,0,0,0|0,1,1]=4 1758 B9R0.46 C\C=C\CCCC(=O)CC Amb26388423 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.46 C\C=C\CNCC(=O)OC Amb27263471 [1,1,0,0,0,0|1,0,1]=4 1760 B9R0.46 O=CCCCOC(=O)CBr Amb27841814 [1,1,0,0,0,0|2,0,0]=4 1761 B9R0.46 O=CCCCOC(=O)CCl Amb28072931 [1,1,0,0,0,0|2,0,0]=4 1762 B9R0.46 [C-]#[N+]CCCCC(=O)OC Amb2688987 [1,1,0,0,0,0|1,0,1]=4 1763 B9R0.47 C=CCCCC(=O)N(C)C Amb28064613 [1,1,0,0,0,0|2,0,0]=4 1764 B9R0.47 CC(C)C(=O)CCCC=O Amb18643953 [1,1,0,0,0,0|1,0,0]=3 1765 B9R0.47 CC(C)C(=O)NCCC=O Amb17102168 [1,1,0,0,0,0|2,0,0]=4 1766 B9R0.47 CN(C)C(=O)CCCC=O Amb26480717 [1,1,0,0,0,0|1,0,0]=3 1767 B9R0.47 CN(C)C(=O)CCCCO Amb17232000 [1,1,0,0,0,0|1,0,1]=4 1768 B9R0.50 C=CCCC[C@@H](C=O)OC Amb28049854 [1,1,0,0,0,0|1,0,1]=4 1769 B9R0.50 CCC(C=O)CCCC=O Amb27262880 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.50 CCC(CCCC=O)OC Amb33325430 [1,1,0,0,0,0|1,0,1]=4 1771 B9R0.50 COC(CCCC=O)OC Amb24117139 [1,1,0,0,0,0|0,0,2]=4 1772 B9R0.2 C#C\C=C\CCCC(=O)O Amb27227921 [1,1,0,0,0,0|1,0,1]=4 1773 B9R0.2 CC#CCNCCC(=O)O Amb27594145 [1,1,0,0,0,0|1,0,1]=4 1774 B9R0.2 CCC#CCCCC(=O)O Amb27628844 [1,1,0,0,0,0|1,0,1]=4 1775 B9R0.2 CCCCCCCC(=O)O Amb3940371 [1,1,0,0,0,0|1,0,1]=4 1776 B9R0.2 CCCCCOCC(=O)O Amb8902706 [1,1,0,0,0,0|1,0,1]=4 1777 B9R0.2 CCCCCSCC(=O)O Amb6249571 [1,1,0,0,0,0|1,0,1]=4 1778 B9R0.2 CCCCNCCC(=O)O Amb7755713 [1,1,0,0,0,0|1,0,1]=4 1779 B9R0.2 CCCCSCCC(=O)O Amb1032992 [1,1,0,0,0,0|1,0,1]=4 1780 B9R0.2 CCCNCCCC(=O)O Amb1109953 [1,1,0,0,0,0|1,0,1]=4 1781 B9R0.2 CCCOCCCC(=O)O Amb8874517 [1,1,0,0,0,0|1,0,1]=4 1782 B9R0.2 CCCSCCCC(=O)O Amb6680215 [1,1,0,0,0,0|1,0,1]=4 1783 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [1,1,0,0,0,0|1,0,1]=4 1784 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [1,1,0,0,0,0|1,0,1]=4 1785 B9R0.2 CCNCCCCC(=O)O Amb24385094 [1,1,0,0,0,0|1,0,1]=4 1786 B9R0.2 CCNCCCCC(=O)O Amb32686610 [1,1,0,0,0,0|1,0,1]=4 1787 B9R0.2 CCOCCCCC(=O)O Amb9207786 [1,1,0,0,0,0|0,0,1]=3 1788 B9R0.2 CCOCCCCC(C)=O Amb9659807 [1,1,0,0,0,0|1,0,1]=4 1789 B9R0.2 CCOCCOCC(=O)O Amb6258165 [1,1,0,0,0,0|1,0,1]=4 1790 B9R0.2 CCOCSCCC(=O)O Amb27447358 [1,1,0,0,0,0|1,0,1]=4 1791 B9R0.2 CCONCCCC(=O)O Amb27839067 [1,1,0,0,0,0|1,0,0]=3 1792 B9R0.2 CCSCCCCC(=O)O Amb7782874 [1,1,0,0,0,0|0,1,1]=4 1793 B9R0.2 CCSCCSCC(=O)O Amb28126747 [1,1,0,0,0,0|2,0,0]=4 1794 B9R0.2 CC\C=C\CNCC(=O)O Amb27422845 [1,1,0,0,0,0|1,0,1]=4 1795 B9R0.2 CNCCOCCC(=O)O Amb18111840 [1,1,0,0,0,0|1,0,1]=4 1796 B9R0.2 CNCCSCCC(=O)O Amb27442544 [1,1,0,0,0,0|1,0,1]=4 1797 B9R0.2 COCCCCCC(=O)O Amb10607872 [1,1,0,0,0,0|0,0,1]=3 1798 B9R0.2 COCCCCCC(C)=O Amb27227265 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.2 COCCCCNC(C)=O Amb27170819 [1,1,0,0,0,0|1,0,1]=4 1800 B9R0.2 COCCCCOC(C)=O Amb24325176 [1,1,0,0,0,0|1,0,1]=4 1801 B9R0.2 COCCCOCC(=O)O Amb25304314 [1,1,0,0,0,0|0,0,1]=3 1802 B9R0.2 COCCNCCC(=O)O Amb33527038 [1,1,0,0,0,0|0,0,1]=3 1803 B9R0.2 COCCNCCC(=O)O Amb7755691 [1,1,0,0,0,0|0,0,1]=3 1804 B9R0.2 COCCNCCC(C)=O Amb24473587 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.2 COCCNCCC(N)=O Amb19960056 [1,1,0,0,0,0|1,0,1]=4 1806 B9R0.2 COCCNCCC(N)=O Amb8841099 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.2 COCCOCCC(=O)O Amb6268336 [1,1,0,0,0,0|0,0,1]=3 1808 B9R0.2 COCCOCCC(N)=O Amb28428996 [1,1,0,0,0,0|1,0,1]=4 1809 B9R0.2 CO\C=C\C=C\CC(=O)O Amb27874074 [1,1,0,0,0,0|0,0,2]=4 1810 B9R0.2 CO\N=C\CCCC(C)=O Amb27267149 [1,1,0,0,0,0|1,0,0]=3 1811 B9R0.2 CSCCCCCC(=O)O Amb27444761 [1,1,0,0,0,0|0,1,1]=4 1812 B9R0.2 CSCCCNCC(=O)O Amb8827601 [1,1,0,0,0,0|0,1,1]=4 1813 B9R0.2 CSCCCOCC(=O)O Amb28042679 [1,1,0,0,0,0|0,1,1]=4 1814 B9R0.2 CSCCNCCC(=O)O Amb25055507 [1,1,0,0,0,0|0,1,1]=4 1815 B9R0.2 CS\C=C\CCCC(C)=O Amb28054428 [1,1,0,0,0,0|1,1,0]=4 1816 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [1,1,0,0,0,0|1,0,1]=4 1817 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [1,1,0,0,0,0|1,0,1]=4 1818 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [1,1,0,0,0,0|1,0,0]=3 1819 B9R0.2 C\C=C\CCCCC(C)=O Amb25252247 [1,1,0,0,0,0|2,0,0]=4 1820 B9R0.2 C\C=C\CCCNC(C)=O Amb24668710 [1,1,0,0,0,0|2,0,0]=4 1821 B9R0.2 C\C=C\CCOCC(=O)O Amb28340908 [1,1,0,0,0,0|1,0,0]=3 1822 B9R0.2 C\C=C\CNCCC(N)=O Amb27251437 [1,1,0,0,0,0|2,0,0]=4 1823 B9R0.2 NCCCCCCC(=O)O Amb1151254 [1,1,0,0,0,0|1,0,1]=4 1824 B9R0.2 NCCCCCCC(=O)O Amb16232099 [1,1,0,0,0,0|1,0,1]=4 1825 B9R0.2 NCCOCCCC(=O)O Amb18111467 [1,1,0,0,0,0|2,0,0]=4 1826 B9R0.2 NCCSCCCC(=O)O Amb17500468 [1,1,0,0,0,0|2,0,0]=4 1827 B9R0.2 NOCCCCCC(=O)O Amb32708458 [1,1,0,0,0,0|1,0,1]=4 1828 B9R0.2 O=C(O)CCCC#CCO Amb27391720 [1,1,0,0,0,0|1,0,1]=4 1829 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [1,1,0,0,0,0|1,0,1]=4 1830 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [1,1,0,0,0,0|1,0,1]=4 1831 B9R0.2 O=C(O)CCCCCCF Amb25132501 [1,1,0,0,0,0|1,0,1]=4 1832 B9R0.2 O=C(O)CCCCCCO Amb9787028 [1,1,0,0,0,0|1,0,1]=4 1833 B9R0.2 O=C(O)CCCCCCS Amb24710334 [1,1,0,0,0,0|1,0,1]=4 1834 B9R0.2 O=C(O)CCCC\C=C\Br Amb26542054 [1,1,0,0,0,0|2,0,0]=4 1835 B9R0.2 O=C(O)CCCNCCO Amb9333522 [1,1,0,0,0,0|2,0,0]=4 1836 B9R0.2 O=C(O)CCCOCCO Amb6680919 [1,1,0,0,0,0|2,0,0]=4 1837 B9R0.2 O=C(O)CCCSCCF Amb27614997 [1,1,0,0,0,0|2,0,0]=4 1838 B9R0.2 O=C(O)CCCSCCO Amb9481728 [1,1,0,0,0,0|2,0,0]=4 1839 B9R0.2 O=C(O)CCC\C=C/CO Amb27425001 [1,1,0,0,0,0|1,0,0]=3 1840 B9R0.2 O=C(O)CCNC\C=C\Cl Amb9326418 [1,1,0,0,0,0|2,0,0]=4 1841 B9R0.4 CCCCC(C)CC(=O)O Amb6740296 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.4 CCCCC(N)CC(=O)O Amb1993866 [1,1,0,0,0,0|1,0,1]=4 1843 B9R0.4 CCCCC(N)CC(=O)O Amb31307613 [1,1,0,0,0,0|1,0,1]=4 1844 B9R0.4 CCCCC(O)CC(=O)O Amb22388888 [1,1,0,0,0,0|1,0,1]=4 1845 B9R0.4 CCCC[C@@H](C)CC(=O)O Amb25887593 [1,1,0,0,0,0|1,0,1]=4 1846 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb26612752 [1,1,0,0,0,0|1,0,1]=4 1847 B9R0.4 CCCC[C@@H](N)CC(=O)O Amb32663769 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.4 CCCC[C@@H](O)CC(=O)O Amb24350627 [1,1,0,0,0,0|1,0,1]=4 1849 B9R0.4 CCCC[C@H](C)CC(=O)O Amb27424971 [1,1,0,0,0,0|1,0,1]=4 1850 B9R0.4 CCCC[C@H](N)CC(=O)O Amb27154618 [1,1,0,0,0,0|1,0,1]=4 1851 B9R0.4 CCNCC(C)CC(=O)O Amb27602707 [1,1,0,0,0,0|2,0,0]=4 1852 B9R0.4 CCOCC(O)CC(=O)O Amb28340917 [1,1,0,0,0,0|2,0,0]=4 1853 B9R0.4 CCSCC(C)CC(=O)O Amb33324046 [1,1,0,0,0,0|2,0,0]=4 1854 B9R0.4 CCSCC(N)CC(=O)O Amb27233388 [1,1,0,0,0,0|2,0,0]=4 1855 B9R0.4 CCSCC(O)CC(=O)O Amb26062529 [1,1,0,0,0,0|2,0,0]=4 1856 B9R0.4 CCSC[C@@H](O)CC(=O)O Amb33324012 [1,1,0,0,0,0|2,0,0]=4 1857 B9R0.4 CCSC[C@H](O)CC(=O)O Amb33324011 [1,1,0,0,0,0|2,0,0]=4 1858 B9R0.4 CC\C=C\C(C)CC(=O)O Amb32954891 [1,1,0,0,0,0|1,0,1]=4 1859 B9R0.4 CC\C=C\C(N)CC(=O)O Amb25843767 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.4 CC\C=C\C(O)CC(=O)O Amb33429309 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.4 CC\C=C\[C@@H](O)CC(=O)O Amb33268250 [1,1,0,0,0,0|1,0,1]=4 1862 B9R0.4 CC\C=C\[C@H](O)CC(=O)O Amb28340505 [1,1,0,0,0,0|1,0,1]=4 1863 B9R0.4 CNCC[C@@H](N)CC(=O)O Amb24117036 [1,1,0,0,0,0|1,0,1]=4 1864 B9R0.4 COCCC(C)CC(=O)O Amb27973352 [1,1,0,0,0,0|0,0,1]=3 1865 B9R0.4 COCCC(N)CC(=O)O Amb32687893 [1,1,0,0,0,0|0,0,1]=3 1866 B9R0.4 COCCC(O)CC(=O)O Amb33377806 [1,1,0,0,0,0|0,0,1]=3 1867 B9R0.4 COCCN(C)CC(=O)O Amb22587006 [1,1,0,0,0,0|1,0,1]=4 1868 B9R0.4 COCCN(C)CC(=O)O Amb22587626 [1,1,0,0,0,0|1,0,1]=4 1869 B9R0.4 COCCN(C)CC(=O)O Amb9173718 [1,1,0,0,0,0|1,0,1]=4 1870 B9R0.4 COCCS(=O)CC(=O)O Amb18792760 [1,1,0,0,0,0|1,0,1]=4 1871 B9R0.4 COCC[C@@H](O)CC(=O)O Amb33377805 [1,1,0,0,0,0|0,0,1]=3 1872 B9R0.4 COCC[C@H](O)CC(=O)O Amb33377804 [1,1,0,0,0,0|0,0,1]=3 1873 B9R0.4 COCOC(C)CC(=O)O Amb28141098 [1,1,0,0,0,0|1,0,1]=4 1874 B9R0.4 CONCC(O)CC(=O)O Amb28071252 [1,1,0,0,0,0|1,0,0]=3 1875 B9R0.4 CSCCC(C)CC(=O)O Amb26651819 [1,1,0,0,0,0|0,1,1]=4 1876 B9R0.4 CSCCC(N)CC(=O)O Amb22353181 [1,1,0,0,0,0|0,1,1]=4 1877 B9R0.4 CSCCC(N)CC(=O)O Amb30666600 [1,1,0,0,0,0|0,1,1]=4 1878 B9R0.4 CSCCC(O)CC(=O)O Amb18798349 [1,1,0,0,0,0|0,1,1]=4 1879 B9R0.4 CSCC[C@@H](N)CC(=O)O Amb26930581 [1,1,0,0,0,0|0,1,1]=4 1880 B9R0.4 CSCC[C@@H](O)CC(=O)O Amb33198734 [1,1,0,0,0,0|0,1,1]=4 1881 B9R0.4 CSCC[C@H](N)CC(=O)O Amb16184019 [1,1,0,0,0,0|0,1,1]=4 1882 B9R0.4 CSCC[C@H](O)CC(=O)O Amb33198733 [1,1,0,0,0,0|0,1,1]=4 1883 B9R0.4 C\C=C/C[C@@H](O)CC(=O)O Amb28050083 [1,1,0,0,0,0|1,0,0]=3 1884 B9R0.48 C=C=C[C@H](N)CCC(=O)O Amb27391437 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [1,1,0,0,0,0|1,0,1]=4 1886 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [1,1,0,0,0,0|1,0,1]=4 1889 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [1,1,0,0,0,0|1,0,1]=4 1890 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [1,1,0,0,0,0|1,0,1]=4 1891 B9R0.48 CCOC(C)CCC(=O)O Amb24690847 [1,1,0,0,0,0|2,0,0]=4 1892 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.48 COCC(=O)CCC(=O)O Amb27797755 [1,1,0,0,0,0|0,0,2]=4 1895 B9R0.48 COCC(C)NCC(=O)O Amb33549979 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.48 COCC(C)NCC(=O)O Amb7766445 [1,1,0,0,0,0|1,0,1]=4 1897 B9R0.48 COCC(C)OCC(=O)O Amb27807862 [1,1,0,0,0,0|1,0,1]=4 1898 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [1,1,0,0,0,0|0,0,1]=3 1899 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [1,1,0,0,0,0|0,0,1]=3 1900 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [1,1,0,0,0,0|0,0,1]=3 1901 B9R0.48 CONC(=O)CCC(=O)O Amb27839045 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [1,1,0,0,0,0|0,1,1]=4 1903 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [1,1,0,0,0,0|0,1,1]=4 1904 B9R0.48 CSSC(C)CCC(=O)O Amb27843301 [1,1,0,0,0,0|1,1,0]=4 1905 B9R0.48 C\C=C/[C@@H](O)CCC(C)=O Amb25146706 [1,1,0,0,0,0|2,0,0]=4 1906 B9R0.48 C\C=C\C(O)CCC(C)=O Amb25142677 [1,1,0,0,0,0|2,0,0]=4 1907 B9R0.48 NC(\C=C\F)CCC(=O)O Amb27221055 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.55 CC(=O)CCCC=C(C)C Amb28053965 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [1,1,0,0,0,0|1,0,1]=4 1910 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [1,1,0,0,0,0|2,0,0]=4 1911 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [1,1,0,0,0,0|2,0,0]=4 1913 B9R0.55 CC(C)=CCCCC(N)=O Amb27390535 [1,1,0,0,0,0|2,0,0]=4 1914 B9R0.55 CC(C)=CCOCC(=O)O Amb18644115 [1,1,0,0,0,0|2,0,0]=4 1915 B9R0.55 CC(C)CCCCC(=O)O Amb10576144 [1,1,0,0,0,0|1,0,1]=4 1916 B9R0.55 CC(C)NCCCC(=O)O Amb1111231 [1,1,0,0,0,0|2,0,0]=4 1917 B9R0.55 CC(C)NCCCC(=O)O Amb528115 [1,1,0,0,0,0|2,0,0]=4 1918 B9R0.55 CC(C)OCCCC(=O)O Amb6274334 [1,1,0,0,0,0|2,0,0]=4 1919 B9R0.55 CC(C)SCCCC(=O)O Amb17503621 [1,1,0,0,0,0|2,0,0]=4 1920 B9R0.55 CC(C)\C=N\CCC(=O)O Amb27759498 [1,1,0,0,0,0|2,0,0]=4 1921 B9R0.55 CC(N)CCCCC(=O)O Amb18644199 [1,1,0,0,0,0|1,0,1]=4 1922 B9R0.55 CC(N)CCCCC(=O)O Amb19515386 [1,1,0,0,0,0|1,0,1]=4 1923 B9R0.55 CC(O)\C=C\CCC(=O)O Amb24453133 [1,1,0,0,0,0|1,0,1]=4 1924 B9R0.55 CN(C)CCCCC(=O)O Amb19275569 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.55 CN(C)CCCCC(=O)O Amb7783201 [1,1,0,0,0,0|1,0,1]=4 1926 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [1,1,0,0,0,0|0,1,1]=4 1927 B9R0.55 C[C@@H](N)CCCCC(=O)O Amb25877255 [1,1,0,0,0,0|1,0,1]=4 1928 B9R0.55 C\C(Br)=C/CCCC(=O)O Amb27798317 [1,1,0,0,0,0|1,0,0]=3 1929 B9R0.55 C\C(Cl)=C/CSCC(=O)O Amb27865640 [1,1,0,0,0,0|2,0,0]=4 1930 B9R0.55 O=C(O)CCCC=C(F)F Amb27831187 [1,1,0,0,0,0|2,0,0]=4 1931 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [1,1,0,0,0,0|1,0,0]=3 1932 B9R0.7 C=C(C)C(N)CCC(=O)O Amb33199957 [1,1,0,0,0,0|1,0,0]=3 1933 B9R0.7 C=C(C)CCC(=C)C(=O)O Amb28047421 [1,1,0,0,0,0|1,0,1]=4 1934 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [1,1,0,0,0,0|1,0,0]=3 1935 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [1,1,0,0,0,0|2,0,0]=4 1936 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [1,1,0,0,0,0|1,0,0]=3 1937 B9R0.7 C=C(C)CCC(N)C(N)=O Amb27188568 [1,1,0,0,0,0|2,0,0]=4 1938 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [1,1,0,0,0,0|1,0,0]=3 1939 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [1,1,0,0,0,0|1,0,0]=3 1940 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [1,1,0,0,0,0|1,0,0]=3 1941 B9R0.7 C=C(C)CSC(C)C(=O)O Amb6263518 [1,1,0,0,0,0|2,0,0]=4 1942 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [1,1,0,0,0,0|2,0,0]=4 1943 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [1,1,0,0,0,0|0,0,1]=3 1944 B9R0.7 C=C(CCC(=O)O)C(C)=O Amb27814984 [1,1,0,0,0,0|0,0,1]=3 1945 B9R0.7 C=C(CCC(C)=O)C(C)=O Amb25303019 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.7 C=C(F)C(N)CCC(=O)O Amb27849938 [1,1,0,0,0,0|1,0,1]=4 1948 B9R0.7 CC(=N)N(C)CCC(=O)O Amb27242469 [1,1,0,0,0,0|2,0,0]=4 1949 B9R0.7 CC(=O)C(=O)NCC(=O)O Amb17593639 [1,1,0,0,0,0|1,0,1]=4 1950 B9R0.7 CC(=O)C(=O)OCC(=O)O Amb28126708 [1,1,0,0,0,0|1,0,1]=4 1951 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [1,1,0,0,0,0|0,0,0]=2 1952 B9R0.7 CC(=O)C(C)CCC(C)O Amb27823560 [1,1,0,0,0,0|1,0,1]=4 1953 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [1,1,0,0,0,0|1,0,0]=3 1954 B9R0.7 CC(=O)C(C)CCS(C)=O Amb27783563 [1,1,0,0,0,0|2,0,0]=4 1955 B9R0.7 CC(=O)C(C)SCC(N)=O Amb28206699 [1,1,0,0,0,0|2,0,0]=4 1956 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [1,1,0,0,0,0|0,0,0]=2 1957 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [1,1,0,0,0,0|0,0,0]=2 1958 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [1,1,0,0,0,0|0,0,0]=2 1959 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [1,1,0,0,0,0|1,0,1]=4 1960 B9R0.7 CC(=O)CCC(C)C(C)O Amb27838958 [1,1,0,0,0,0|1,0,1]=4 1961 B9R0.7 CC(=O)CCC(Cl)C(C)=O Amb27444965 [1,1,0,0,0,0|1,0,0]=3 1962 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [1,1,0,0,0,0|0,0,0]=2 1963 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [1,1,0,0,0,0|0,0,0]=2 1964 B9R0.7 CC(=O)CCC(N)C(N)=O Amb26649117 [1,1,0,0,0,0|1,0,0]=3 1965 B9R0.7 CC(=O)CC[C@@H](C)[C@@H](C)O Amb25984868 [1,1,0,0,0,0|1,0,1]=4 1966 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [1,1,0,0,0,0|0,0,0]=2 1967 B9R0.7 CC(=O)CC[C@H](C)[C@@H](C)O Amb22747043 [1,1,0,0,0,0|1,0,1]=4 1968 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [1,1,0,0,0,0|0,0,0]=2 1969 B9R0.7 CC(=O)CNC(=O)C(=O)O Amb24480846 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [1,1,0,0,0,0|1,0,0]=3 1971 B9R0.7 CC(=O)CSC(C)C(N)=O Amb27949123 [1,1,0,0,0,0|2,0,0]=4 1972 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [1,1,0,0,0,0|1,0,0]=3 1973 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [1,1,0,0,0,0|1,0,0]=3 1974 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [1,1,0,0,0,0|1,0,0]=3 1975 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [1,1,0,0,0,0|1,0,0]=3 1976 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [1,1,0,0,0,0|1,0,0]=3 1977 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [1,1,0,0,0,0|1,0,0]=3 1979 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [1,1,0,0,0,0|1,0,0]=3 1980 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [1,1,0,0,0,0|1,0,0]=3 1981 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [1,1,0,0,0,0|1,0,0]=3 1982 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [1,1,0,0,0,0|2,0,0]=4 1983 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [1,1,0,0,0,0|1,0,0]=3 1984 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [1,1,0,0,0,0|1,0,0]=3 1985 B9R0.7 CC(=O)ONC(C)C(=O)O Amb27765574 [1,1,0,0,0,0|2,0,0]=4 1986 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [1,1,0,0,0,0|1,0,0]=3 1987 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [1,1,0,0,0,0|2,0,0]=4 1988 B9R0.7 CC(=O)SCC(Cl)C(=O)Cl Amb28247162 [1,1,0,0,0,0|2,0,0]=4 1989 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [1,1,0,0,0,0|1,0,0]=3 1990 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [1,1,0,0,0,0|1,0,0]=3 1991 B9R0.7 CC(=O)SC[C@@H](C)C(=O)Cl Amb26641827 [1,1,0,0,0,0|2,0,0]=4 1992 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [1,1,0,0,0,0|1,0,0]=3 1993 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [1,1,0,0,0,0|2,0,0]=4 1994 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [1,1,0,0,0,0|0,0,0]=2 1995 B9R0.7 CC(C)=CCC(C)C(=O)O Amb18643879 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.7 CC(C)=CCC(N)C(=O)O Amb6276273 [1,1,0,0,0,0|1,0,1]=4 1997 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O Amb27254062 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.7 CC(C)=CC[C@H](N)C(=O)O Amb25836895 [1,1,0,0,0,0|1,0,1]=4 1999 B9R0.7 CC(C)C(N)CCC(=O)O Amb18124745 [1,1,0,0,0,0|1,0,1]=4 2000 B9R0.7 CC(C)C(O)CCC(=O)O Amb25252592 [1,1,0,0,0,0|1,0,1]=4 2001 B9R0.7 CC(C)CCC(Br)C(=O)O Amb18131059 [1,1,0,0,0,0|1,0,1]=4 2002 B9R0.7 CC(C)CCC(C)C(=O)O Amb19033547 [1,1,0,0,0,0|1,0,1]=4 2003 B9R0.7 CC(C)CCC(F)C(=O)O Amb26612835 [1,1,0,0,0,0|1,0,1]=4 2004 B9R0.7 CC(C)CCC(N)C(=O)O Amb19269152 [1,1,0,0,0,0|1,0,1]=4 2005 B9R0.7 CC(C)CCC(N)C(=O)O Amb6269218 [1,1,0,0,0,0|1,0,1]=4 2006 B9R0.7 CC(C)CCC(O)C(=O)O Amb27788603 [1,1,0,0,0,0|1,0,1]=4 2007 B9R0.7 CC(C)CC[C@@H](C)C(=O)O Amb26983027 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb19133196 [1,1,0,0,0,0|1,0,1]=4 2009 B9R0.7 CC(C)CC[C@@H](N)C(=O)O Amb22899130 [1,1,0,0,0,0|1,0,1]=4 2010 B9R0.7 CC(C)CC[C@H](C)C(=O)O Amb27227250 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb16183866 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.7 CC(C)CC[C@H](N)C(=O)O Amb33339290 [1,1,0,0,0,0|1,0,1]=4 2013 B9R0.7 CC(C)[C@@H](O)CCC(=O)O Amb28314215 [1,1,0,0,0,0|1,0,1]=4 2014 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [1,1,0,0,0,0|0,0,0]=2 2015 B9R0.7 CC(CCC(=O)O)N(C)C Amb32654401 [1,1,0,0,0,0|2,0,0]=4 2016 B9R0.7 CC(CCC(=O)O)N(C)C Amb8010013 [1,1,0,0,0,0|2,0,0]=4 2017 B9R0.7 CC(CCN(C)C)C(=O)O Amb26502003 [1,1,0,0,0,0|2,0,0]=4 2018 B9R0.7 CC(CCN(C)C)C(=O)O Amb32675008 [1,1,0,0,0,0|2,0,0]=4 2019 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [1,1,0,0,0,0|1,0,0]=3 2020 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [1,1,0,0,0,0|1,0,1]=4 2021 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [1,1,0,0,0,0|2,0,0]=4 2022 B9R0.7 CC(F)C(N)CCC(=O)O Amb27207659 [1,1,0,0,0,0|1,0,1]=4 2023 B9R0.7 CC(N)C(O)CCC(=O)O Amb27881667 [1,1,0,0,0,0|1,0,1]=4 2024 B9R0.7 CC(N)CCC(O)C(=O)O Amb28436655 [1,1,0,0,0,0|1,0,1]=4 2025 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [1,1,0,0,0,0|1,0,0]=3 2026 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [1,1,0,0,0,0|1,0,0]=3 2027 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [1,1,0,0,0,0|2,0,0]=4 2028 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [1,1,0,0,0,0|0,0,2]=4 2029 B9R0.7 CC(O)CCC(N)C(=O)O Amb26598749 [1,1,0,0,0,0|0,0,2]=4 2030 B9R0.7 CC(O)CC[C@@H](N)C(=O)O Amb28126862 [1,1,0,0,0,0|0,0,2]=4 2031 B9R0.7 CC(O)CC[C@H](N)C(=O)O Amb26346481 [1,1,0,0,0,0|0,0,2]=4 2032 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [1,1,0,0,0,0|1,0,0]=3 2033 B9R0.7 CN(C)CCC(F)C(=O)O Amb27959150 [1,1,0,0,0,0|2,0,0]=4 2034 B9R0.7 CN(C)CCC(N)C(=O)O Amb32661000 [1,1,0,0,0,0|2,0,0]=4 2035 B9R0.7 CN(C)CCC(N)C(=O)O Amb6259376 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.7 CN(C)CCC(O)C(=O)O Amb26847402 [1,1,0,0,0,0|2,0,0]=4 2037 B9R0.7 CN(C)CC[C@@H](N)C(=O)O Amb26453522 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.7 CN(C)CC[C@H](N)C(=O)O Amb25108550 [1,1,0,0,0,0|2,0,0]=4 2039 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.7 CN(O)CC[C@H](N)C(=O)O Amb27640254 [1,1,0,0,0,0|1,0,1]=4 2041 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [1,1,0,0,0,0|2,0,0]=4 2042 B9R0.7 CS(=O)CCC(N)C(=O)O Amb6336322 [1,1,0,0,0,0|1,0,0]=3 2043 B9R0.7 CS(=O)CCC(N)C(N)=O Amb25869966 [1,1,0,0,0,0|2,0,0]=4 2044 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [1,1,0,0,0,0|1,0,0]=3 2045 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Amb19133021 [1,1,0,0,0,0|1,0,0]=3 2046 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Amb6600089 [1,1,0,0,0,0|1,0,0]=3 2047 B9R0.7 CS(=O)NCC(N)C(=O)O Amb28122995 [1,1,0,0,0,0|2,0,0]=4 2048 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [1,1,0,0,0,0|0,0,0]=2 2049 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [1,1,0,0,0,0|1,0,1]=4 2050 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [1,1,0,0,0,0|2,0,0]=4 2051 B9R0.7 C[C@@H](F)[C@@H](N)CCC(=O)O Amb27604296 [1,1,0,0,0,0|1,0,1]=4 2052 B9R0.7 C[C@@H](F)[C@H](O)CCC(=O)O Amb28256347 [1,1,0,0,0,0|1,0,1]=4 2053 B9R0.7 C[C@@H](N)CC[C@@H](O)C(=O)O Amb27815031 [1,1,0,0,0,0|1,0,1]=4 2054 B9R0.7 C[C@@H](N)[C@@H](O)CCC(=O)O Amb27655533 [1,1,0,0,0,0|1,0,1]=4 2055 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [1,1,0,0,0,0|1,0,0]=3 2056 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [1,1,0,0,0,0|0,0,2]=4 2057 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [1,1,0,0,0,0|0,0,0]=2 2058 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [1,1,0,0,0,0|1,0,1]=4 2059 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [1,1,0,0,0,0|2,0,0]=4 2060 B9R0.7 C[C@H](F)[C@H](O)CCC(=O)O Amb28126864 [1,1,0,0,0,0|1,0,1]=4 2061 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [1,1,0,0,0,0|1,0,0]=3 2062 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [1,1,0,0,0,0|1,0,0]=3 2063 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [1,1,0,0,0,0|2,0,0]=4 2064 B9R0.7 C[C@H](O)[C@H](N)CCC(=O)O Amb27217393 [1,1,0,0,0,0|0,0,2]=4 2065 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006595 [1,1,0,0,0,0|2,0,0]=4 2066 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4006626 [1,1,0,0,0,0|2,0,0]=4 2067 B9R0.7 C[S+](C)CCC(N)C(=O)O Amb4007490 [1,1,0,0,0,0|2,0,0]=4 2068 B9R0.7 C[S+](C)CCC(O)C(=O)O Amb33482959 [1,1,0,0,0,0|2,0,0]=4 2069 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb35781977 [1,1,0,0,0,0|2,0,0]=4 2070 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O Amb6336613 [1,1,0,0,0,0|2,0,0]=4 2071 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O Amb10601599 [1,1,0,0,0,0|2,0,0]=4 2072 B9R0.7 C[SH](C)CC[C@H](N)C(=O)O Amb24440849 [1,1,0,0,0,0|2,0,0]=4 2073 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [1,1,0,0,0,0|0,0,2]=4 2074 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [1,1,0,0,0,0|0,0,2]=4 2075 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [1,1,0,0,0,0|1,0,1]=4 2076 B9R0.7 C\C(Cl)=C/CC(Cl)C(=O)O Amb27212547 [1,1,0,0,0,0|1,0,1]=4 2077 B9R0.7 C\C(Cl)=C\CC(Cl)C(=O)O Amb17594711 [1,1,0,0,0,0|1,0,1]=4 2078 B9R0.7 C\C(F)=C/C[C@H](N)C(=O)O Amb27205690 [1,1,0,0,0,0|1,0,1]=4 2079 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [1,1,0,0,0,0|2,0,0]=4 2080 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [1,1,0,0,0,0|1,0,0]=3 2081 B9R0.7 NC(=O)CCC(=O)C(=O)O Amb26369364 [1,1,0,0,0,0|1,0,1]=4 2082 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [1,1,0,0,0,0|1,0,0]=3 2083 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [1,1,0,0,0,0|2,0,0]=4 2084 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [1,1,0,0,0,0|1,0,0]=3 2085 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [1,1,0,0,0,0|2,0,0]=4 2086 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [1,1,0,0,0,0|2,0,0]=4 2087 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [1,1,0,0,0,0|1,0,0]=3 2088 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [1,1,0,0,0,0|1,0,0]=3 2089 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [1,1,0,0,0,0|2,0,0]=4 2090 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [1,1,0,0,0,0|2,0,0]=4 2091 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [1,1,0,0,0,0|1,0,0]=3 2092 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [1,1,0,0,0,0|2,0,0]=4 2093 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [1,1,0,0,0,0|2,0,0]=4 2094 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [1,1,0,0,0,0|2,0,0]=4 2095 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [1,1,0,0,0,0|2,0,0]=4 2096 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [1,1,0,0,0,0|2,0,0]=4 2097 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [1,1,0,0,0,0|2,0,0]=4 2098 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [1,1,0,0,0,0|2,0,0]=4 2099 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [1,1,0,0,0,0|2,0,0]=4 2100 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [1,1,0,0,0,0|2,0,0]=4 2101 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [1,1,0,0,0,0|2,0,0]=4 2102 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [1,1,0,0,0,0|2,0,0]=4 2103 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [1,1,0,0,0,0|2,0,0]=4 2104 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [1,1,0,0,0,0|1,0,0]=3 2105 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [1,1,0,0,0,0|1,0,0]=3 2106 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [1,1,0,0,0,0|1,1,0]=4 2107 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [1,1,0,0,0,0|1,1,0]=4 2108 B9R0.7 NC(CCB(O)O)C(=O)O Amb22497480 [1,1,0,0,0,0|1,0,1]=4 2109 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [1,1,0,0,0,0|1,0,0]=3 2110 B9R0.7 NC(CCC(=O)O)B(O)O Amb26983348 [1,1,0,0,0,0|1,0,1]=4 2111 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [1,1,0,0,0,0|0,0,0]=2 2112 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [1,1,0,0,0,0|0,0,0]=2 2113 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [1,1,0,0,0,0|0,0,1]=3 2114 B9R0.7 NC(CC[N+](=O)[O-])C(=O)O Amb27221965 [1,1,0,0,0,0|1,0,1]=4 2115 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [1,1,0,0,0,0|1,0,0]=3 2116 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [1,1,0,0,0,0|0,0,0]=2 2117 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [1,1,0,0,0,0|0,0,0]=2 2118 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [1,1,0,0,0,0|0,0,0]=2 2119 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [1,1,0,0,0,0|0,0,1]=3 2120 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [1,1,0,0,0,0|0,1,0]=3 2121 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [1,1,0,0,0,0|1,0,0]=3 2122 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [1,1,0,0,0,0|1,0,0]=3 2123 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [1,1,0,0,0,0|1,0,0]=3 2124 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [1,1,0,0,0,0|0,0,0]=2 2125 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [1,1,0,0,0,0|0,0,1]=3 2126 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [1,1,0,0,0,0|0,0,1]=3 2127 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [1,1,0,0,0,0|0,0,1]=3 2128 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [1,1,0,0,0,0|0,0,0]=2 2129 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [1,1,0,0,0,0|0,0,0]=2 2130 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [1,1,0,0,0,0|0,0,0]=2 2131 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [1,1,0,0,0,0|0,0,0]=2 2132 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [1,1,0,0,0,0|0,0,0]=2 2133 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [1,1,0,0,0,0|0,0,0]=2 2134 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [1,1,0,0,0,0|0,0,0]=2 2135 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [1,1,0,0,0,0|0,0,0]=2 2136 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [1,1,0,0,0,0|1,0,1]=4 2137 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [1,1,0,0,0,0|1,0,1]=4 2138 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [1,1,0,0,0,0|0,0,2]=4 2139 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [1,1,0,0,0,0|2,0,0]=4 2140 B9R0.7 O=C([O-])CCC(=O)C(=O)O Amb22231405 [1,1,0,0,0,0|0,0,2]=4 2141 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [1,1,0,0,0,0|0,0,2]=4 2142 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [1,1,0,0,0,0|2,0,0]=4 2143 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [1,1,0,0,0,0|1,0,0]=3 2144 B9R0.53 CC(=O)CC(=O)CC(C)=O Amb4018226 [1,1,0,0,0,0|1,0,1]=4 2145 B9R0.53 CC(=O)CC(C)OC(N)=O Amb27196213 [1,1,0,0,0,0|2,0,0]=4 2146 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [1,1,0,0,0,0|1,0,1]=4 2147 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,1,0,0,0,0|0,0,0]=2 2148 B9R0.53 CC(=O)C[C@H](C)OC(C)=O Amb25863249 [1,1,0,0,0,0|2,0,0]=4 2149 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [1,1,0,0,0,0|1,0,1]=4 2150 B9R0.53 CC(=O)NC(=O)CC(=O)O Amb24671240 [1,1,0,0,0,0|1,0,1]=4 2151 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,1,0,0,0,0|1,0,0]=3 2152 B9R0.53 CC(=O)NC(C)CC(N)=O Amb27454423 [1,1,0,0,0,0|2,0,0]=4 2153 B9R0.53 CC(=O)NN(C)CC(=O)O Amb24430379 [1,1,0,0,0,0|2,0,0]=4 2154 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,1,0,0,0,0|1,0,0]=3 2155 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,1,0,0,0,0|1,0,0]=3 2156 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,1,0,0,0,0|1,0,0]=3 2157 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [1,1,0,0,0,0|1,0,1]=4 2158 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [1,1,0,0,0,0|1,0,1]=4 2159 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [1,1,0,0,0,0|1,0,1]=4 2160 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [1,1,0,0,0,0|1,0,1]=4 2161 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [1,1,0,0,0,0|1,0,1]=4 2162 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [1,1,0,0,0,0|1,0,1]=4 2163 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [1,1,0,0,0,0|1,0,1]=4 2164 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [1,1,0,0,0,0|1,0,1]=4 2165 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [1,1,0,0,0,0|1,0,1]=4 2166 B9R0.53 CC(CC(=O)Cl)CC(=O)Cl Amb28076995 [1,1,0,0,0,0|2,0,0]=4 2167 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,1,0,0,0,0|0,0,0]=2 2168 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [1,1,0,0,0,0|2,0,0]=4 2169 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [1,1,0,0,0,0|2,0,0]=4 2170 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,1,0,0,0,0|2,0,0]=4 2171 B9R0.53 CC(CC(N)=O)CC(N)=O Amb4020693 [1,1,0,0,0,0|2,0,0]=4 2172 B9R0.53 CC(Cl)CC(Cl)CC(=O)O Amb28436914 [1,1,0,0,0,0|1,0,1]=4 2173 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [1,1,0,0,0,0|2,0,0]=4 2174 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [1,1,0,0,0,0|2,0,0]=4 2175 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,1,0,0,0,0|1,0,0]=3 2176 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [1,1,0,0,0,0|1,0,0]=3 2177 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,1,0,0,0,0|1,0,0]=3 2178 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [1,1,0,0,0,0|0,0,2]=4 2179 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [1,1,0,0,0,0|0,0,2]=4 2180 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,1,0,0,0,0|1,0,0]=3 2181 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [1,1,0,0,0,0|2,0,0]=4 2182 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,1,0,0,0,0|1,0,0]=3 2183 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,1,0,0,0,0|0,0,0]=2 2184 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,1,0,0,0,0|0,0,0]=2 2185 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [1,1,0,0,0,0|1,0,0]=3 2186 B9R0.53 O=C(Cl)CC(Cl)CC(=O)Cl Amb27390104 [1,1,0,0,0,0|2,0,0]=4 2187 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [1,1,0,0,0,0|0,0,1]=3 2188 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,1,0,0,0,0|0,0,0]=2 2189 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,1,0,0,0,0|0,0,0]=2 2190 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [1,1,0,0,0,0|1,0,0]=3 2191 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [1,1,0,0,0,0|0,0,2]=4 2192 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [1,1,0,0,0,0|1,0,0]=3 2193 B9R0.56 CC(=O)CCCC(C)(C)O Amb17593627 [1,1,0,0,0,0|1,0,1]=4 2194 B9R0.56 CC(=O)CCCS(=O)(=O)Cl Amb33076751 [1,1,0,0,0,0|1,0,1]=4 2195 B9R0.56 CC(=O)CCCS(C)(=O)=O Amb18180080 [1,1,0,0,0,0|1,0,1]=4 2196 B9R0.56 CC(=O)NCCS(=O)(=O)O Amb26916542 [1,1,0,0,0,0|2,0,0]=4 2197 B9R0.56 CC(=O)SCCS(=O)(=O)O Amb21857874 [1,1,0,0,0,0|2,0,0]=4 2198 B9R0.56 CC(C)(C)CCCC(=O)O Amb18307485 [1,1,0,0,0,0|1,0,1]=4 2199 B9R0.56 CC(C)(F)CCCC(=O)O Amb25270576 [1,1,0,0,0,0|1,0,1]=4 2200 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [1,1,0,0,0,0|0,0,2]=4 2201 B9R0.56 CC(F)(F)CCCC(=O)O Amb17593778 [1,1,0,0,0,0|1,0,1]=4 2202 B9R0.56 CP(=O)(O)CCCC(=O)O Amb24524573 [1,1,0,0,0,0|1,0,0]=3 2203 B9R0.56 CP(C)(=O)CNCC(=O)O Amb25339632 [1,1,0,0,0,0|2,0,0]=4 2204 B9R0.56 CS(=O)(=O)CCCC(=O)Cl Amb27865991 [1,1,0,0,0,0|2,0,0]=4 2205 B9R0.56 CS(=O)(=O)CCCC(=O)O Amb17503668 [1,1,0,0,0,0|1,0,0]=3 2206 B9R0.56 CS(=O)(=O)NCCC(=O)O Amb33536611 [1,1,0,0,0,0|2,0,0]=4 2207 B9R0.56 CS(=O)(=O)SCCC(=O)O Amb10071647 [1,1,0,0,0,0|2,0,0]=4 2208 B9R0.56 C[N+](C)(C)CCCC(=O)O Amb9825976 [1,1,0,0,0,0|2,0,0]=4 2209 B9R0.56 C[Si](C)(C)CCCC(=O)O Amb26455818 [1,1,0,0,0,0|1,1,0]=4 2210 B9R0.56 NP(=O)(O)CNCC(=O)O Amb27233408 [1,1,0,0,0,0|2,0,0]=4 2211 B9R0.56 NS(=O)(=O)CCCC(=O)O Amb6741827 [1,1,0,0,0,0|1,0,1]=4 2212 B9R0.56 O=C(O)CCCS(=O)(=O)Cl Amb28196571 [1,1,0,0,0,0|1,0,1]=4 2213 B9R0.56 O=C(O)CCCS(=O)(=O)O Amb27471573 [1,1,0,0,0,0|1,0,0]=3 2214 B9R0.56 O=C(O)CNCP(=O)(O)O Amb3941678 [1,1,0,0,0,0|2,0,0]=4 2215 B9R0.56 O=C(O)CNCP(=O)([O-])O Amb28995134 [1,1,0,0,0,0|2,0,0]=4 2216 B9R0.21 COC(=O)CCP(=O)(O)O Amb22388887 [0,1,0,0,1,0|1,0,0]=3 2217 B9R0.21 COC(=O)CCS(=O)(=O)Cl Amb443859 [0,1,0,0,1,0|1,0,1]=4 2218 B9R0.21 COC(=O)CCS(=O)(=O)F Amb25830336 [0,1,0,0,1,0|1,0,1]=4 2219 B9R0.21 COC(=O)CCS(=O)(=O)O Amb17400246 [0,1,0,0,1,0|1,0,0]=3 2220 B9R0.21 COC(=O)CCS(=O)(=O)[O-] Amb28325565 [0,1,0,0,1,0|1,0,1]=4 2221 B9R0.21 COC(=O)CCS(C)(=N)=O Amb33621261 [0,1,0,0,1,0|2,0,0]=4 2222 B9R0.21 COC(=O)CCS(C)(=N)=O Amb33749083 [0,1,0,0,1,0|2,0,0]=4 2223 B9R0.21 COC(=O)CCS(C)(=O)=O Amb18177820 [0,1,0,0,1,0|1,0,1]=4 2224 B9R0.21 COC(=O)CCS(N)(=O)=O Amb1131761 [0,1,0,0,1,0|1,0,1]=4 2225 B9R0.21 COC(=O)CC[S@](C)(=N)=O Amb33744014 [0,1,0,0,1,0|2,0,0]=4 2226 B9R0.21 COC(=O)NCP(=O)(O)O Amb27202848 [0,1,0,0,1,0|2,0,0]=4 2227 B9R0.23 C=C(Br)C[C@@H](N)C(=O)OC Amb27248287 [0,1,0,0,1,0|2,0,0]=4 2228 B9R0.23 C=C(C)CC(C)C(=O)OC Amb27857780 [0,1,0,0,1,0|2,0,0]=4 2229 B9R0.23 C=C(C)CC(Cl)C(=O)OC Amb28051409 [0,1,0,0,1,0|2,0,0]=4 2230 B9R0.23 C=C(C)CC(N)C(=O)OC Amb26654974 [0,1,0,0,1,0|2,0,0]=4 2231 B9R0.23 C=C(C)CC(O)C(=O)OC Amb24464009 [0,1,0,0,1,0|2,0,0]=4 2232 B9R0.23 C=C(C)C[C@@H](O)C(=O)OC Amb27219810 [0,1,0,0,1,0|2,0,0]=4 2233 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [0,1,0,0,1,0|0,0,1]=3 2234 B9R0.23 C=C(CC)C(N)CC(=O)O Amb25068441 [0,1,0,0,1,0|2,0,0]=4 2235 B9R0.23 C=C(Cl)CC(N)C(=O)OC Amb18645938 [0,1,0,0,1,0|2,0,0]=4 2236 B9R0.23 CCC(=O)N(C)CC(=O)O Amb1113094 [0,1,0,0,1,0|2,0,0]=4 2237 B9R0.23 CCS(=O)C(C)CC(=O)O Amb19012075 [0,1,0,0,1,0|2,0,0]=4 2238 B9R0.23 CNC(=O)C(C)CC(N)=O Amb17334220 [0,1,0,0,1,0|2,0,0]=4 2239 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [0,1,0,0,1,0|1,0,0]=3 2240 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,1,0,0,1,0|2,0,0]=4 2241 B9R0.23 COC(=O)C(=O)CC(C)=O Amb1155424 [0,1,0,0,1,0|1,0,1]=4 2242 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [0,1,0,0,1,0|0,0,0]=2 2243 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [0,1,0,0,1,0|0,0,0]=2 2244 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [0,1,0,0,1,0|1,0,0]=3 2245 B9R0.23 COC(=O)C(C)CS(=O)Cl Amb32720544 [0,1,0,0,1,0|2,0,0]=4 2246 B9R0.23 COC(=O)C(C)CS(=O)[O-] Amb32754342 [0,1,0,0,1,0|1,0,1]=4 2247 B9R0.23 COC(=O)C(C)CS(N)=O Amb32720545 [0,1,0,0,1,0|2,0,0]=4 2248 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [0,1,0,0,1,0|1,0,0]=3 2249 B9R0.23 COC(=O)C(C)NC(C)=O Amb24650565 [0,1,0,0,1,0|2,0,0]=4 2250 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,1,0,0,1,0|2,0,0]=4 2251 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [0,1,0,0,1,0|0,0,0]=2 2252 B9R0.23 COC(=O)C(Cl)CS(=O)Cl Amb32720436 [0,1,0,0,1,0|2,0,0]=4 2253 B9R0.23 COC(=O)C(Cl)CS(=O)[O-] Amb32755396 [0,1,0,0,1,0|1,0,1]=4 2254 B9R0.23 COC(=O)C(Cl)CS(N)=O Amb32720437 [0,1,0,0,1,0|2,0,0]=4 2255 B9R0.23 COC(=O)C(Cl)NC(C)=O Amb28193243 [0,1,0,0,1,0|2,0,0]=4 2256 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [0,1,0,0,1,0|0,0,0]=2 2257 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [0,1,0,0,1,0|0,0,0]=2 2258 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [0,1,0,0,1,0|1,0,0]=3 2259 B9R0.23 COC(=O)C(N)CC(C)O Amb33065512 [0,1,0,0,1,0|1,0,1]=4 2260 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [0,1,0,0,1,0|1,0,0]=3 2261 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [0,1,0,0,1,0|1,0,0]=3 2262 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [0,1,0,0,1,0|0,0,0]=2 2263 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [0,1,0,0,1,0|1,0,0]=3 2264 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [0,1,0,0,1,0|1,0,0]=3 2265 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [0,1,0,0,1,0|1,0,0]=3 2266 B9R0.23 COC(=O)[C@@H](C)NC(C)=O Amb17621817 [0,1,0,0,1,0|2,0,0]=4 2267 B9R0.23 COC(=O)[C@@H](C)OC(C)=O Amb28314265 [0,1,0,0,1,0|2,0,0]=4 2268 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [0,1,0,0,1,0|0,0,0]=2 2269 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [0,1,0,0,1,0|0,0,0]=2 2270 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [0,1,0,0,1,0|0,0,0]=2 2271 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [0,1,0,0,1,0|0,0,1]=3 2272 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [0,1,0,0,1,0|1,0,0]=3 2273 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [0,1,0,0,1,0|0,0,0]=2 2274 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [0,1,0,0,1,0|1,0,0]=3 2275 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [0,1,0,0,1,0|0,0,0]=2 2276 B9R0.23 COC(=O)[C@H](C)NC(C)=O Amb4034849 [0,1,0,0,1,0|2,0,0]=4 2277 B9R0.23 COC(=O)[C@H](C)NC(N)=O Amb27948545 [0,1,0,0,1,0|2,0,0]=4 2278 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [0,1,0,0,1,0|0,0,0]=2 2279 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [0,1,0,0,1,0|0,0,0]=2 2280 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,1,0,0,1,0|1,0,0]=3 2281 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [0,1,0,0,1,0|1,0,0]=3 2282 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [0,1,0,0,1,0|0,0,0]=2 2283 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [0,1,0,0,1,0|1,0,0]=3 2284 B9R0.23 COC(=O)\C(Br)=C\C(=O)O Amb15695379 [0,1,0,0,1,0|0,0,2]=4 2285 B9R0.23 COC(=O)\C(C)=C\C(=O)O Amb27221493 [0,1,0,0,1,0|0,0,2]=4 2286 B9R0.23 COC(=O)\C(F)=C\C(=O)O Amb28288995 [0,1,0,0,1,0|0,0,2]=4 2287 B9R0.23 COC(=S)N(C)CC(=O)O Amb24514158 [0,1,0,0,1,0|1,1,0]=4 2288 B9R0.23 COC(C)C(C)CC(=O)O Amb18202340 [0,1,0,0,1,0|1,0,1]=4 2289 B9R0.23 COC(C)C(N)CC(=O)O Amb26567214 [0,1,0,0,1,0|1,0,1]=4 2290 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35788177 [0,1,0,0,1,0|1,0,1]=4 2291 B9R0.23 CO[C@H](C)[C@H](N)CC(=O)O Amb35789671 [0,1,0,0,1,0|1,0,1]=4 2292 B9R0.23 C\C=C(\C)C(N)CC(=O)O Amb28245387 [0,1,0,0,1,0|2,0,0]=4 2293 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [0,1,0,0,1,0|2,0,0]=4 2294 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [0,1,0,0,1,0|2,0,0]=4 2295 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [0,1,0,0,1,0|2,0,0]=4 2296 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [0,1,0,0,1,0|2,0,0]=4 2297 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [0,1,0,0,1,0|2,0,0]=4 2298 B9R0.42 C=C(C)C(O)CC(=O)OC Amb27839501 [0,1,0,0,1,0|2,0,0]=4 2299 B9R0.42 C=C(C)[C@@H](O)CC(=O)OC Amb33199529 [0,1,0,0,1,0|2,0,0]=4 2300 B9R0.42 C=C(C)[C@H](O)CC(=O)OC Amb33199525 [0,1,0,0,1,0|2,0,0]=4 2301 B9R0.42 C=C(CC(=O)NC)C(=O)O Amb22269311 [0,1,0,0,1,0|1,0,1]=4 2302 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [0,1,0,0,1,0|0,0,1]=3 2303 B9R0.42 C=C(CC)CC(N)C(=O)O Amb28064280 [0,1,0,0,1,0|2,0,0]=4 2304 B9R0.42 C=C(CC)C[C@@H](N)C(=O)O Amb26340266 [0,1,0,0,1,0|2,0,0]=4 2305 B9R0.42 C=C(CC)C[C@H](N)C(=O)O Amb25694434 [0,1,0,0,1,0|2,0,0]=4 2306 B9R0.42 C=C(Cl)C(O)CC(=O)OC Amb28050635 [0,1,0,0,1,0|2,0,0]=4 2307 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [0,1,0,0,1,0|2,0,0]=4 2308 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [0,1,0,0,1,0|1,0,0]=3 2309 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [0,1,0,0,1,0|1,0,0]=3 2310 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,1,0,0,1,0|2,0,0]=4 2311 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [0,1,0,0,1,0|1,0,0]=3 2312 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [0,1,0,0,1,0|1,0,0]=3 2313 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [0,1,0,0,1,0|1,0,0]=3 2314 B9R0.42 CCC(=O)NC(C)C(=O)O Amb1116933 [0,1,0,0,1,0|2,0,0]=4 2315 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O Amb22901053 [0,1,0,0,1,0|2,0,0]=4 2316 B9R0.42 CCS(=O)CC(C)C(=O)O Amb19012076 [0,1,0,0,1,0|2,0,0]=4 2317 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [0,1,0,0,1,0|2,0,0]=4 2318 B9R0.42 CCS(=O)C[C@H](N)C(=O)O Amb28118843 [0,1,0,0,1,0|2,0,0]=4 2319 B9R0.42 CNC(=O)CC(C)C(N)=O Amb17334219 [0,1,0,0,1,0|2,0,0]=4 2320 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [0,1,0,0,1,0|1,0,0]=3 2321 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [0,1,0,0,1,0|1,0,0]=3 2322 B9R0.42 CNC(=O)NC(C)C(=O)O Amb1130316 [0,1,0,0,1,0|2,0,0]=4 2323 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O Amb24478025 [0,1,0,0,1,0|2,0,0]=4 2324 B9R0.42 CNC(=O)N[C@H](C)C(=O)O Amb24558529 [0,1,0,0,1,0|2,0,0]=4 2325 B9R0.42 CNC(=O)OC(C)C(=O)O Amb35655772 [0,1,0,0,1,0|2,0,0]=4 2326 B9R0.42 CNC(=O)O[C@@H](C)C(=O)O Amb35647450 [0,1,0,0,1,0|2,0,0]=4 2327 B9R0.42 CNC(=O)O[C@H](C)C(=O)O Amb29866286 [0,1,0,0,1,0|2,0,0]=4 2328 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [0,1,0,0,1,0|0,0,1]=3 2329 B9R0.42 COC(=O)CC(=O)C(=O)[O-] Amb34916317 [0,1,0,0,1,0|0,0,2]=4 2330 B9R0.42 COC(=O)CC(=O)C(C)=O Amb25146895 [0,1,0,0,1,0|1,0,1]=4 2331 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [0,1,0,0,1,0|0,0,0]=2 2332 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [0,1,0,0,1,0|1,0,0]=3 2333 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [0,1,0,0,1,0|1,0,0]=3 2334 B9R0.42 COC(=O)CC(C)C(=N)N Amb27971074 [0,1,0,0,1,0|2,0,0]=4 2335 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [0,1,0,0,1,0|1,0,0]=3 2336 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [0,1,0,0,1,0|0,0,0]=2 2337 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [0,1,0,0,1,0|0,0,1]=3 2338 B9R0.42 COC(=O)CC(C)[N+](=O)[O-] Amb27444812 [0,1,0,0,1,0|1,0,1]=4 2339 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [0,1,0,0,1,0|0,0,0]=2 2340 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [0,1,0,0,1,0|1,0,0]=3 2341 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [0,1,0,0,1,0|0,0,0]=2 2342 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [0,1,0,0,1,0|0,0,0]=2 2343 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [0,1,0,0,1,0|0,0,0]=2 2344 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [0,1,0,0,1,0|0,0,0]=2 2345 B9R0.42 COC(=O)CC(O)C(C)O Amb27969056 [0,1,0,0,1,0|1,0,1]=4 2346 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [0,1,0,0,1,0|1,0,0]=3 2347 B9R0.42 COC(=O)CC(O)[C@H](C)O Amb27455910 [0,1,0,0,1,0|1,0,1]=4 2348 B9R0.42 COC(=O)CN(C)C(=O)Cl Amb35749071 [0,1,0,0,1,0|2,0,0]=4 2349 B9R0.42 COC(=O)CN(C)C(C)=O Amb9263349 [0,1,0,0,1,0|2,0,0]=4 2350 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [0,1,0,0,1,0|0,0,0]=2 2351 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [0,1,0,0,1,0|1,0,0]=3 2352 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [0,1,0,0,1,0|1,0,0]=3 2353 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [0,1,0,0,1,0|0,0,0]=2 2354 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [0,1,0,0,1,0|0,0,0]=2 2355 B9R0.42 COC(=O)C[C@@H](N)[C@@H](C)O Amb28340873 [0,1,0,0,1,0|1,0,1]=4 2356 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [0,1,0,0,1,0|0,0,0]=2 2357 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [0,1,0,0,1,0|0,0,0]=2 2358 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [0,1,0,0,1,0|0,0,0]=2 2359 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [0,1,0,0,1,0|1,0,0]=3 2360 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [0,1,0,0,1,0|0,0,0]=2 2361 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [0,1,0,0,1,0|0,0,0]=2 2362 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [0,1,0,0,1,0|1,0,0]=3 2363 B9R0.42 COC(=O)C[C@H](O)[C@H](C)O Amb28069717 [0,1,0,0,1,0|1,0,1]=4 2364 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [0,1,0,0,1,0|1,0,0]=3 2365 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [0,1,0,0,1,0|1,0,0]=3 2366 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [0,1,0,0,1,0|1,0,0]=3 2367 B9R0.42 COC(=O)N[C@H](C)C(N)=O Amb27428453 [0,1,0,0,1,0|2,0,0]=4 2368 B9R0.42 COC(=O)SC(C)C(C)=O Amb27243977 [0,1,0,0,1,0|2,0,0]=4 2369 B9R0.42 COC(=O)\C=C(/C)C(=O)O Amb18644070 [0,1,0,0,1,0|0,0,2]=4 2370 B9R0.42 COC(=S)SC(C)C(=O)O Amb28458571 [0,1,0,0,1,0|1,1,0]=4 2371 B9R0.42 COC(C)CC(N)C(=O)O Amb25147752 [0,1,0,0,1,0|1,0,1]=4 2372 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [0,1,0,0,1,0|1,0,1]=4 2373 B9R0.42 COC(C)C[C@@H](N)C(=O)O Amb24412403 [0,1,0,0,1,0|1,0,1]=4 2374 B9R0.42 COC(C)C[C@H](N)C(=O)O Amb27801695 [0,1,0,0,1,0|1,0,1]=4 2375 B9R0.42 C\C=C(/C)C[C@H](N)C(=O)O Amb27827659 [0,1,0,0,1,0|2,0,0]=4 2376 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [0,1,0,0,1,0|2,0,0]=4 2377 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [0,1,0,0,1,0|2,0,0]=4 2378 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [0,1,0,0,1,0|2,0,0]=4 2379 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [0,1,0,0,1,0|2,0,0]=4 2380 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [0,1,0,0,1,0|2,0,0]=4 2381 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [0,1,0,0,1,0|2,0,0]=4 2382 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [0,1,0,0,1,0|2,0,0]=4 2383 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [0,1,0,0,1,0|2,0,0]=4 2384 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [0,1,0,0,1,0|2,0,0]=4 2385 B9R0.43 CCC(CCC(=O)O)OC Amb26936159 [0,1,0,0,1,0|1,0,1]=4 2386 B9R0.43 CC\C(CCC(=O)O)=N/O Amb27459310 [0,1,0,0,1,0|1,0,1]=4 2387 B9R0.43 COC(CCC(=O)O)OC Amb24657204 [0,1,0,0,1,0|0,0,2]=4 2388 B9R0.64 CCS(=O)(=O)CCC(=O)O Amb6266853 [0,1,0,0,1,0|2,0,0]=4 2389 B9R0.64 CNS(=O)(=O)CCC(=O)O Amb6741778 [0,1,0,0,1,0|2,0,0]=4 2390 B9R0.64 COC(C)(C)CCC(=O)O Amb27835401 [0,1,0,0,1,0|1,0,1]=4 2391 B9R0.64 COP(=O)(O)NCC(=O)O Amb27602360 [0,1,0,0,1,0|2,0,0]=4 2392 B9R0.64 COP(=O)(S)SCC(=O)O Amb28241332 [0,1,0,0,1,0|2,0,0]=4 2393 B9R0.64 COS(=O)(=O)OCC(=O)O Amb27983681 [0,1,0,0,1,0|2,0,0]=4 2394 B11R0.29 CC(C)C(=O)CCCCC(=O)O Amb6305283 [0,1,0,0,0,1|1,0,0]=3 2395 B11R0.29 CC(C)C(=O)NCCCC(=O)O Amb1113944 [0,1,0,0,0,1|1,0,0]=3 2396 B11R0.29 CN(C)C(=O)CCCCC(=O)O Amb9306390 [0,1,0,0,0,1|1,0,0]=3 2397 B11R0.29 CN(C)\C(N)=N\CCCC(=O)O Amb33604810 [0,1,0,0,0,1|2,0,0]=4 2398 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [0,1,0,0,0,1|2,0,0]=4 2399 B11R0.29 O=C(O)CCSCC(=O)C(=O)O Amb33069682 [0,1,0,0,0,1|2,0,0]=4 2400 B11R0.93 COC(=O)CC(O)COC(C)=O Amb17778578 [0,1,0,0,0,1|1,0,0]=3 2401 B11R0.106 COC(=O)CCCCC(=O)OC Amb2793126 [0,1,0,0,0,1|0,0,0]=2 2402 B11R0.106 COC(=O)CCCNC(=O)CBr Amb17330223 [0,1,0,0,0,1|1,0,0]=3 2403 B11R0.106 COC(=O)CCCNC(=O)CCl Amb6891987 [0,1,0,0,0,1|1,0,0]=3 2404 B11R0.106 COC(=O)CCNCC(=O)OC Amb8867280 [0,1,0,0,0,1|0,0,0]=2 2405 B11R0.106 COC(=O)CCSCC(=O)OC Amb2720730 [0,1,0,0,0,1|0,0,0]=2 2406 B11R0.106 COC(=O)CNNCC(=O)OC Amb19651359 [0,1,0,0,0,1|1,0,0]=3 2407 B11R0.106 COC(=O)C\C=C\CC(=O)OC Amb34910343 [0,1,0,0,0,1|0,0,1]=3 2408 B11R0.107 COC(=O)CCC(=O)CC(C)=O Amb17334875 [0,1,0,0,0,1|1,0,0]=3 2409 B11R0.107 COC(=O)CCC(C)CC(C)=O Amb32667486 [0,1,0,0,0,1|1,0,0]=3 2410 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33621268 [0,1,0,0,0,1|0,0,0]=2 2411 B11R0.107 COC(=O)CC[C@@H](N)CC(=O)O Amb33744519 [0,1,0,0,0,1|0,0,0]=2 2412 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [0,1,0,0,0,1|1,0,0]=3 2413 B11R0.109 CCC(=O)CCCC(N)C(N)=O Amb33308786 [0,1,0,0,0,1|2,0,0]=4 2414 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [0,1,0,0,0,1|1,0,0]=3 2415 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [0,1,0,0,0,1|1,0,0]=3 2416 B11R0.109 CCC(=O)CSCC(=O)C(=O)O Amb33069923 [0,1,0,0,0,1|1,0,1]=4 2417 B11R0.109 CNC(=O)CCNC(=O)C(=O)O Amb18808297 [0,1,0,0,0,1|1,0,1]=4 2418 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [0,1,0,0,0,1|0,0,0]=2 2419 B11R0.109 COC(=O)CSCC(=O)C(=O)O Amb33069686 [0,1,0,0,0,1|0,0,1]=3 2420 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [0,1,0,0,0,1|0,0,0]=2 2421 B11R0.114 COC(=O)CCCCS(=O)(=O)Cl Amb30628521 [0,1,0,0,0,1|1,0,1]=4 2422 B11R0.114 COC(=O)CCCCS(N)(=O)=O Amb32715470 [0,1,0,0,0,1|1,0,1]=4 2423 B11R0.114 COC(=O)NCCCC(C)(C)O Amb24095878 [0,1,0,0,0,1|1,0,1]=4 2424 B11R0.127 CCS(=O)(=O)CCCCC(=O)O Amb9303293 [0,1,0,0,0,1|2,0,0]=4 2425 B11R0.127 CCS(=O)(=O)NCCCC(=O)O Amb1111445 [0,1,0,0,0,1|2,0,0]=4 2426 B11R0.127 COC(C)(C)CCCCC(=O)O Amb33359823 [0,1,0,0,0,1|1,0,1]=4 2427 B11R0.145 COC(=O)C(N)CCC=C(C)C Amb32940434 [0,1,0,0,0,1|2,0,0]=4 2428 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [0,1,0,0,0,1|1,0,0]=3 2429 B11R0.145 COC(=O)C(N)CCCC(C)O Amb33308532 [0,1,0,0,0,1|1,0,1]=4 2430 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666268 [0,1,0,0,0,1|1,0,0]=3 2431 B11R0.145 COC(=O)C(N)CCSC(C)=O Amb32666269 [0,1,0,0,0,1|1,0,0]=3 2432 B11R0.145 COC(=O)N(C)CCCC(=O)O Amb33531921 [0,1,0,0,0,1|0,0,0]=2 2433 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653054 [0,1,0,0,0,1|1,0,0]=3 2434 B11R0.145 COC(=O)[C@@H](N)CCSC(C)=O Amb32653055 [0,1,0,0,0,1|1,0,0]=3 2435 B11R0.176 C=C(Br)CCCCC(=O)OCC Amb6298919 [0,1,0,0,0,1|2,0,0]=4 2436 B11R0.176 C=C(C)CCCCC(=O)OCC Amb6298923 [0,1,0,0,0,1|2,0,0]=4 2437 B11R0.176 C=C(Cl)CCCCC(=O)OCC Amb6298915 [0,1,0,0,0,1|2,0,0]=4 2438 B11R0.176 CCCC(=O)CCCCC(=O)O Amb6305241 [0,1,0,0,0,1|1,0,0]=3 2439 B11R0.176 CCCC(=O)NCCCC(=O)O Amb5741969 [0,1,0,0,0,1|1,0,0]=3 2440 B11R0.176 CCOC(=O)CCCCC(=O)O Amb3939942 [0,1,0,0,0,1|0,0,0]=2 2441 B11R0.176 CCOC(=O)CCCCC(N)=O Amb33623115 [0,1,0,0,0,1|1,0,0]=3 2442 B11R0.176 CCOC(=O)CCCOC(C)=O Amb17613918 [0,1,0,0,0,1|1,0,0]=3 2443 B11R0.176 CCOC(=O)NCCCC(=O)O Amb6249852 [0,1,0,0,0,1|0,0,0]=2 2444 B11R0.1 CCOC(=O)CC(=O)CC(C)=O Amb16192546 [0,2,0,0,0,0|1,0,1]=4 2445 B11R0.1 CCOC(=O)CC(C)CN(=O)=O Amb8391643 [0,2,0,0,0,0|1,0,1]=4 2446 B11R0.6 CC(C)=CC(=O)NCCC(=O)O Amb9212211 [0,2,0,0,0,0|2,0,0]=4 2447 B11R0.6 CC(C)CC(=O)NCCC(=O)O Amb1115700 [0,2,0,0,0,0|2,0,0]=4 2448 B11R0.6 CC(C)NC(=O)CCCC(=O)O Amb9250806 [0,2,0,0,0,0|1,0,0]=3 2449 B11R0.6 CC(C)NC(=O)CSCC(=O)O Amb1124265 [0,2,0,0,0,0|2,0,0]=4 2450 B11R0.6 CC(C)NC(=O)NCCC(=O)O Amb1138267 [0,2,0,0,0,0|2,0,0]=4 2451 B11R0.59 C=C(C)CCC(N)C(=O)OCC Amb33065872 [0,2,0,0,0,0|2,0,0]=4 2452 B11R0.59 CCNC(=O)C(C)SCC(=O)O Amb9203227 [0,2,0,0,0,0|2,0,0]=4 2453 B11R0.59 CCOC(=O)C(N)CCC(C)=O Amb32864915 [0,2,0,0,0,0|1,0,0]=3 2454 B11R0.59 CCOC(=O)C(N)CCC(C)O Amb33036585 [0,2,0,0,0,0|1,0,1]=4 2455 B11R0.59 CCOC(=O)C(N)CCS(C)=O Amb33066328 [0,2,0,0,0,0|2,0,0]=4 2456 B11R0.59 CCOC(=O)C(N)COC(C)=O Amb33802355 [0,2,0,0,0,0|2,0,0]=4 2457 B11R0.59 CCOC(=O)[C@@H](N)CCS(C)=O Amb33802361 [0,2,0,0,0,0|2,0,0]=4 2458 B11R0.59 CCOC(=O)[C@H]([NH3+])CSC(C)=O Amb28464001 [0,2,0,0,0,0|2,0,0]=4 2459 B11R0.59 CCOC(C)C(N)CCC(=O)O Amb33425725 [0,2,0,0,0,0|1,0,1]=4 2460 B11R0.104 CCCS(=O)(=O)CCCC(=O)O Amb9303334 [0,2,0,0,0,0|2,0,0]=4 2461 B11R0.104 NCCS(=O)(=O)CCCC(=O)O Amb17500610 [0,2,0,0,0,0|2,0,0]=4 2462 B11R0.104 O=C(O)CCCS(=O)(=O)CCCl Amb24062755 [0,2,0,0,0,0|2,0,0]=4 2463 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O Amb19134042 [0,2,0,0,0,0|1,0,0]=3 2464 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Amb8390594 [0,2,0,0,0,0|1,0,0]=3 2465 B11R0.141 CCOC(=O)CCC(Br)C(=O)O Amb32941131 [0,2,0,0,0,0|0,0,0]=2 2466 B11R0.141 CCOC(=O)CCC(Cl)C(=O)O Amb32680769 [0,2,0,0,0,0|0,0,0]=2 2467 B11R0.141 CCOC(=O)CCC(N)C(=O)O Amb6740305 [0,2,0,0,0,0|0,0,0]=2 2468 B11R0.141 CCOC(=O)CCC(O)C(=O)O Amb32941118 [0,2,0,0,0,0|0,0,0]=2 2469 B11R0.141 CCOC(=O)CC[C@@H](N)C(=O)O Amb22745269 [0,2,0,0,0,0|0,0,0]=2 2470 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O Amb8385328 [0,2,0,0,0,0|0,0,0]=2 2471 B11R0.141 CCOC(C)CCC(C)C(=O)O Amb33424999 [0,2,0,0,0,0|1,0,1]=4 2472 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O Amb16183956 [0,2,0,0,0,0|2,0,0]=4 2473 B11R0.147 C#CCOC(=O)CCCC(=O)O Amb6379035 [0,2,0,0,0,0|0,0,0]=2 2474 B11R0.147 C=CCNC(=O)CCCC(=O)O Amb1863934 [0,2,0,0,0,0|1,0,0]=3 2475 B11R0.147 CCCCC(=O)CCCC(=O)O Amb6305231 [0,2,0,0,0,0|1,0,0]=3 2476 B11R0.147 CCCCC(=O)NCCC(=O)O Amb5741939 [0,2,0,0,0,0|2,0,0]=4 2477 B11R0.147 CCCNC(=O)CCCC(=O)O Amb1841483 [0,2,0,0,0,0|1,0,0]=3 2478 B11R0.174 CCOC(=O)CCCC(=O)CC Amb6305807 [0,2,0,0,0,0|1,0,0]=3 2479 B11R0.174 COC(=O)CCNC(=O)CCN Amb18790280 [0,2,0,0,0,0|2,0,0]=4 2480 B11R0.174 COC(=O)CCNC(=O)CCN Amb32670623 [0,2,0,0,0,0|2,0,0]=4 2481 B11R0.180 CCOC(=O)CCCS(=O)(=O)Cl Amb8836234 [0,2,0,0,0,0|1,0,1]=4 2482 B11R0.180 CCOC(=O)CCCS(=O)(=O)F Amb32716742 [0,2,0,0,0,0|1,0,1]=4 2483 B11R0.180 CCOC(=O)CCCS(N)(=O)=O Amb19043080 [0,2,0,0,0,0|1,0,1]=4 2484 B11R0.63 CCC(=O)N(C)C(C)CC(=O)O Amb18862886 [0,2,0,0,0,0|2,0,0]=4 2485 B11R0.63 COC(=O)C(C)C(C)SC(C)=O Amb33307178 [0,2,0,0,0,0|2,0,0]=4 2486 B11R0.63 COC(=O)[C@@H](N)[C@@H](C)SC(C)=O Amb24117265 [0,2,0,0,0,0|2,0,0]=4 2487 B11R0.91 CCC(CC(=O)O)CC(=O)OC Amb33474984 [0,2,0,0,0,0|0,0,0]=2 2488 B11R0.91 COC(=O)CC(CF)CC(=O)O Amb33474631 [0,2,0,0,0,0|0,0,0]=2 2489 B11R0.110 COC(=O)CC(=O)CC(=O)OC Amb2725477 [0,2,0,0,0,0|0,0,1]=3 2490 B11R0.110 COC(=O)CC(C)CC(=O)OC Amb8629083 [0,2,0,0,0,0|0,0,0]=2 2491 B11R0.110 COC(=O)CC(C)CC(O)OC Amb31307770 [0,2,0,0,0,0|0,0,2]=4 2492 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22001699 [0,2,0,0,0,0|0,0,0]=2 2493 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22436847 [0,2,0,0,0,0|0,0,0]=2 2494 B11R0.110 COC(=O)CC(N)CC(=O)OC Amb22749880 [0,2,0,0,0,0|0,0,0]=2 2495 B11R0.110 COC(=O)CC(O)CC(=O)OC Amb10604229 [0,2,0,0,0,0|0,0,0]=2 2496 B11R0.110 COC(=O)CN(C)CC(=O)OC Amb18808625 [0,2,0,0,0,0|1,0,0]=3 2497 B11R0.255 CNC(=O)CS(=O)(=O)CC(=O)O Amb6257062 [0,2,0,0,0,0|2,0,0]=4 2498 B11R0.255 CNC(=O)NC(C)(C)CC(=O)O Amb27171789 [0,2,0,0,0,0|2,0,0]=4 2499 B11R0.255 COC(=O)CC(C)(C)CC(=O)O Amb18647813 [0,2,0,0,0,0|0,0,0]=2 2500 B11R0.255 COC(=O)CC(C)(C)CC(C)=O Amb18198272 [0,2,0,0,0,0|1,0,0]=3 2501 B11R0.255 COC(=O)CS(=O)(=O)CC(=O)O Amb9482256 [0,2,0,0,0,0|1,0,0]=3 2502 B11R0.300 COC(C)(C)CC(C)CC(=O)O Amb7797849 [0,2,0,0,0,0|1,0,1]=4 2503 B11R0.300 COC(C)(C)CC(N)CC(=O)O Amb33255684 [0,2,0,0,0,0|1,0,1]=4 2504 B11R0.300 COC(C)(C)CC(O)CC(=O)O Amb33172119 [0,2,0,0,0,0|1,0,1]=4 2505 B11R0.300 COC(C)(C)C[C@@H](O)CC(=O)O Amb33195965 [0,2,0,0,0,0|1,0,1]=4 2506 B11R0.300 COC(C)(C)C[C@H](O)CC(=O)O Amb33195963 [0,2,0,0,0,0|1,0,1]=4 2507 B11R0.117 CCC(=O)C(C)CC(C)C(=O)O Amb32759401 [0,2,0,0,0,0|1,0,0]=3 2508 B11R0.117 COC(=O)C(C)CC(C)C(=O)O Amb18647808 [0,2,0,0,0,0|0,0,0]=2 2509 B11R0.120 COC(=O)C(O)CNC(=O)CCl Amb33715367 [0,2,0,0,0,0|2,0,0]=4 2510 B11R0.120 COC(=O)CCC(=O)C(=O)OC Amb9871397 [0,2,0,0,0,0|0,0,1]=3 2511 B11R0.120 COC(=O)CCC(Br)C(=O)OC Amb22500129 [0,2,0,0,0,0|0,0,0]=2 2512 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb32666097 [0,2,0,0,0,0|0,0,0]=2 2513 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6366233 [0,2,0,0,0,0|0,0,0]=2 2514 B11R0.120 COC(=O)CCC(N)C(=O)OC Amb6458826 [0,2,0,0,0,0|0,0,0]=2 2515 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb16183941 [0,2,0,0,0,0|0,0,0]=2 2516 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC Amb22230568 [0,2,0,0,0,0|0,0,0]=2 2517 B11R0.120 COC(=O)CC[C@@H](O)C(=O)OC Amb33620357 [0,2,0,0,0,0|0,0,0]=2 2518 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb13884889 [0,2,0,0,0,0|0,0,0]=2 2519 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb3940075 [0,2,0,0,0,0|0,0,0]=2 2520 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC Amb8390403 [0,2,0,0,0,0|0,0,0]=2 2521 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC Amb33620358 [0,2,0,0,0,0|0,0,0]=2 2522 B11R0.120 COC(=O)CNC(=O)C(=O)OC Amb2447278 [0,2,0,0,0,0|1,0,1]=4 2523 B11R0.120 O=C(CCC(O)C(=O)O[Na])O[Na] Amb22371817 [0,2,0,0,0,0|1,0,0]=3 2524 B11R0.171 CCC(OC)C(N)CCC(=O)O Amb33320165 [0,2,0,0,0,0|1,0,1]=4 2525 B11R0.171 COC(OC)C(N)CCC(=O)O Amb33342014 [0,2,0,0,0,0|0,0,2]=4 2526 B11R0.173 CC(C)C(=O)N(C)CCC(=O)O Amb17400385 [0,2,0,0,0,0|2,0,0]=4 2527 B11R0.173 CC(SCC(=O)O)C(=O)N(C)C Amb9203225 [0,2,0,0,0,0|2,0,0]=4 2528 B11R0.173 CN(C)C(=O)C(N)CCC(N)=O Amb22261475 [0,2,0,0,0,0|2,0,0]=4 2529 B11R0.288 COC(=O)C(C)(C)CCC(=O)O Amb9677880 [0,2,0,0,0,0|0,0,0]=2 2530 B11R0.288 COC(=O)C(C)(C)CSC(C)=O Amb32653008 [0,2,0,0,0,0|2,0,0]=4 2531 B11R0.290 COC(=O)C(N)CCC(C)(C)O Amb33065678 [0,2,0,0,0,0|1,0,1]=4 2532 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb32620340 [0,2,0,0,0,0|1,0,1]=4 2533 B11R0.290 COC(=O)C(N)CCS(C)(=O)=O Amb9206205 [0,2,0,0,0,0|1,0,1]=4 2534 B11R0.290 COC(=O)C(N)CCS(N)(=O)=O Amb30585017 [0,2,0,0,0,0|1,0,1]=4 2535 B11R0.290 COC(=O)C(N)CCS(N)(=O)=O Amb32988154 [0,2,0,0,0,0|1,0,1]=4 2536 B11R0.290 COC(=O)[C@@H](N)CCS(C)(=O)=O Amb33804694 [0,2,0,0,0,0|1,0,1]=4 2537 B11R0.290 COC(=O)[C@@H](N)CCS(N)(=O)=O Amb32988138 [0,2,0,0,0,0|1,0,1]=4 2538 B11R0.290 COC(=O)[C@H](N)CCS(N)(=O)=O Amb32988145 [0,2,0,0,0,0|1,0,1]=4 2539 B11R0.200 COC(=O)CCCC(OC)OC Amb22338364 [0,2,0,0,0,0|0,0,2]=4 2540 B11R0.202 CC(C)S(=O)(=O)CCCC(=O)O Amb17503667 [0,2,0,0,0,0|2,0,0]=4 2541 B11R0.302 CCS(=O)(=O)CCC(N)C(=O)O Amb4018747 [0,2,0,0,0,0|2,0,0]=4 2542 B11R0.302 CCS(=O)(=O)CC[C@@H](N)C(=O)O Amb32789514 [0,2,0,0,0,0|2,0,0]=4 2543 B11R0.302 CCS(=O)(=O)CC[C@H](N)C(=O)O Amb32788585 [0,2,0,0,0,0|2,0,0]=4 2544 B11R0.302 COC(C)(C)CCC(C)C(=O)O Amb33473922 [0,2,0,0,0,0|1,0,1]=4 2545 B11R0.302 COC(C)(C)CCC(N)C(=O)O Amb33036609 [0,2,0,0,0,0|1,0,1]=4 2546 B11R0.302 COC(C)(C)CCC(O)C(=O)O Amb33358540 [0,2,0,0,0,0|1,0,1]=4 2547 B11R0.302 COC(C)(C)CC[C@@H](N)C(=O)O Amb33065527 [0,2,0,0,0,0|1,0,1]=4 2548 B11R0.302 COC(C)(C)CC[C@H](N)C(=O)O Amb33066246 [0,2,0,0,0,0|1,0,1]=4 2549 B11R0.21 CCC(CCC(C)C(=O)O)OC Amb33325431 [0,2,0,0,0,0|1,0,1]=4 2550 B11R0.21 COC(CCC(C)C(=O)O)OC Amb33340582 [0,2,0,0,0,0|0,0,2]=4 2551 B11R0.90 CCC(SCC(=O)NC)C(=O)O Amb17501361 [0,2,0,0,0,0|2,0,0]=4 2552 B11R0.150 CC(C)=C(C)CCC(N)C(=O)O Amb33308686 [0,2,0,0,0,0|2,0,0]=4 2553 B11R0.150 CC(C)=C(C)CC[C@@H](N)C(=O)O Amb33066034 [0,2,0,0,0,0|2,0,0]=4 2554 B11R0.150 CC(C)=C(C)CC[C@H](N)C(=O)O Amb33309186 [0,2,0,0,0,0|2,0,0]=4 2555 B11R0.201 CNC(=O)CSC(C)(C)C(=O)O Amb17501509 [0,2,0,0,0,0|2,0,0]=4 2556 B11R0.201 CNC(=O)NCC(F)(F)C(=O)O Amb27262644 [0,2,0,0,0,0|2,0,0]=4 2557 B11R0.201 COC(=O)CCC(C)(C)C(=O)O Amb18127171 [0,2,0,0,0,0|0,0,0]=2 2558 B11R0.201 COC(=O)CCC(C)(C)[N+](=O)[O-] Amb9809760 [0,2,0,0,0,0|1,0,1]=4 2559 B11R0.201 COC(=O)NNC(C)(C)C(=O)O Amb6479181 [0,2,0,0,0,0|2,0,0]=4 2560 B11R0.84 CC(C)(C)C(=O)CCCC(=O)O Amb6305222 [0,2,0,0,0,0|1,0,0]=3 2561 B11R0.84 CC(C)(C)C(=O)NCCC(=O)O Amb1119313 [0,2,0,0,0,0|2,0,0]=4 2562 B11R0.84 O=C(O)CCCC(=O)C(F)(F)F Amb6305246 [0,2,0,0,0,0|2,0,0]=4 2563 B9R1.1 CC1=CCC(C=O)CC1 Amb614508 [1,0,0,1,0,0|2,0,0]=4 2564 B9R1.1 CC1CCC(C=O)CO1 Amb35732769 [1,0,0,1,0,0|1,0,1]=4 2565 B9R1.1 O=C1CCC(CO)CC1 Amb10071596 [1,0,0,1,0,0|1,0,1]=4 2566 B9R1.1 O=C1CCC(CO)CN1 Amb19958990 [1,0,0,1,0,0|1,0,1]=4 2567 B9R1.1 O=C1COC(CO)CO1 Amb28315509 [1,0,0,1,0,0|1,0,1]=4 2568 B9R1.1 O=CC1CC=C(Cl)CC1 Amb18124712 [1,0,0,1,0,0|2,0,0]=4 2569 B9R1.1 O=CC1CCC(=O)CC1 Amb8385725 [1,0,0,1,0,0|1,0,0]=3 2570 B9R1.1 O=CC1CCS(=O)CC1 Amb28285176 [1,0,0,1,0,0|2,0,0]=4 2571 B9R1.1 O=CN1CCC(=O)CC1 Amb33545539 [1,0,0,1,0,0|2,0,0]=4 2572 B9R1.2 C=C1C=C(OC)CCC1 Amb27423877 [1,0,0,1,0,0|2,0,0]=4 2573 B9R1.2 CCC1=CC(=O)CCC1 Amb27599813 [1,0,0,1,0,0|2,0,0]=4 2574 B9R1.2 CNC1=CC(=O)CCC1 Amb2386653 [1,0,0,1,0,0|2,0,0]=4 2575 B9R1.2 COC1=CC(=O)CCC1 Amb19930192 [1,0,0,1,0,0|1,0,0]=3 2576 B9R1.2 COC1=CC(=O)NCC1 Amb27174359 [1,0,0,1,0,0|2,0,0]=4 2577 B9R1.2 COC1=CC(=O)SCC1 Amb27438098 [1,0,0,1,0,0|2,0,0]=4 2578 B9R1.2 COC1=CC(O)CCC1 Amb28194168 [1,0,0,1,0,0|1,0,1]=4 2579 B9R1.2 COC1CCCC(=O)C1 Amb20671002 [1,0,0,1,0,0|1,0,1]=4 2580 B9R1.2 COC1CCCC(=O)N1 Amb27594844 [1,0,0,1,0,0|1,0,1]=4 2581 B9R1.3 CC1=C(C)C(=O)CCC1 Amb17593288 [1,0,0,1,0,0|2,0,0]=4 2582 B9R1.3 CC1=C(Cl)CCCC1=O Amb4036614 [1,0,0,1,0,0|2,0,0]=4 2583 B9R1.3 CC1=C(N)CCCC1=O Amb27798039 [1,0,0,1,0,0|2,0,0]=4 2584 B9R1.3 CC1=C(O)CCCC1=O Amb25147218 [1,0,0,1,0,0|1,0,0]=3 2585 B9R1.3 CC1C(=O)CCCC1=O Amb3993683 [1,0,0,1,0,0|1,0,0]=3 2586 B9R1.3 CC1C(=O)CCNC1=O Amb25220145 [1,0,0,1,0,0|2,0,0]=4 2587 B9R1.3 CC1C(=O)CSCC1=O Amb27199104 [1,0,0,1,0,0|2,0,0]=4 2588 B9R1.3 CN1C(=O)CCCC1=O Amb22757472 [1,0,0,1,0,0|1,0,0]=3 2589 B9R1.3 CN1C(=O)CCNC1=O Amb26628800 [1,0,0,1,0,0|2,0,0]=4 2590 B9R1.3 CN1C(=O)CNCC1=O Amb17334097 [1,0,0,1,0,0|2,0,0]=4 2591 B9R1.3 CN1C(=O)CNCC1=O Amb32412577 [1,0,0,1,0,0|2,0,0]=4 2592 B9R1.3 CN1C(=O)CNCC1=O Amb33249619 [1,0,0,1,0,0|2,0,0]=4 2593 B9R1.3 O=C1CCCC(=O)C1=O Amb27838803 [1,0,0,1,0,0|2,0,0]=4 2594 B9R1.3 O=C1CCCC(=O)C1Br Amb33527290 [1,0,0,1,0,0|2,0,0]=4 2595 B9R1.3 O=C1CCCC(=O)C1Cl Amb25726716 [1,0,0,1,0,0|2,0,0]=4 2596 B9R1.3 O=C1CCCC(=O)N1Br Amb4015558 [1,0,0,1,0,0|2,0,0]=4 2597 B9R1.3 O=C1CCCC(O)=C1Cl Amb2724553 [1,0,0,1,0,0|2,0,0]=4 2598 B9R1.3 O=C1CCCC(O)=C1F Amb27599391 [1,0,0,1,0,0|2,0,0]=4 2599 B9R1.3 O=C1CCCC(O)=C1I Amb31291506 [1,0,0,1,0,0|2,0,0]=4 2600 B9R1.5 CC1C=CCCCC1=O Amb27600759 [1,0,0,1,0,0|2,0,0]=4 2601 B9R1.7 C=CCC1CCC(=O)C1 Amb26610303 [1,0,0,1,0,0|2,0,0]=4 2602 B9R1.7 C=CC[C@H]1COC(=O)N1 Amb28423413 [1,0,0,1,0,0|2,0,0]=4 2603 B9R1.7 CCCC1COC(=O)C1 Amb26560581 [1,0,0,1,0,0|1,0,1]=4 2604 B9R1.7 CCC[C@H]1COC(=O)C1 Amb33725639 [1,0,0,1,0,0|1,0,1]=4 2605 B9R1.7 O=C1CC(CCO)CN1 Amb23598230 [1,0,0,1,0,0|1,0,1]=4 2606 B9R1.7 O=CCC1CCC(=O)C1 Amb18642410 [1,0,0,1,0,0|1,0,0]=3 2607 B9R1.7 O=CCC1CCC(=O)O1 Amb27873383 [1,0,0,1,0,0|2,0,0]=4 2608 B9R1.7 O=CC[C@H]1CCC(=O)C1 Amb27961372 [1,0,0,1,0,0|1,0,0]=3 2609 B9R1.11 CNC(=O)C1CCCO1 Amb3445623 [1,0,0,1,0,0|1,0,1]=4 2610 B9R1.11 CNC(=O)[C@@H]1CCCO1 Amb25864777 [1,0,0,1,0,0|1,0,1]=4 2611 B9R1.11 COC(=O)C1C=CCC1 Amb23456135 [1,0,0,1,0,0|1,0,0]=3 2612 B9R1.11 COC(=O)C1C=CCN1 Amb17621965 [1,0,0,1,0,0|2,0,0]=4 2613 B9R1.11 COC(=O)C1C=CCN1 Amb2720249 [1,0,0,1,0,0|2,0,0]=4 2614 B9R1.11 COC(=O)C1C=CCO1 Amb28399993 [1,0,0,1,0,0|2,0,0]=4 2615 B9R1.11 COC(=O)C1CC=CC1 Amb2695401 [1,0,0,1,0,0|1,0,1]=4 2616 B9R1.11 COC(=O)C1CC=NO1 Amb25145656 [1,0,0,1,0,0|1,0,1]=4 2617 B9R1.11 COC(=O)C1CCC=N1 Amb25106874 [1,0,0,1,0,0|1,0,0]=3 2618 B9R1.11 COC(=O)C1CCCC1 Amb4021254 [1,0,0,1,0,0|1,0,1]=4 2619 B9R1.11 COC(=O)C1CCCN1 Amb33539333 [1,0,0,1,0,0|1,0,1]=4 2620 B9R1.11 COC(=O)C1CCCN1 Amb5492762 [1,0,0,1,0,0|1,0,1]=4 2621 B9R1.11 COC(=O)C1CCCO1 Amb8392933 [1,0,0,1,0,0|0,0,1]=3 2622 B9R1.11 COC(=O)C1CCCS1 Amb23590656 [1,0,0,1,0,0|0,1,1]=4 2623 B9R1.11 COC(=O)C1CCC[NH2+]1 Amb22045239 [1,0,0,1,0,0|1,0,1]=4 2624 B9R1.11 COC(=O)C1CCC[NH2+]1 Amb33513046 [1,0,0,1,0,0|1,0,1]=4 2625 B9R1.11 COC(=O)C1CCNC1 Amb2695367 [1,0,0,1,0,0|2,0,0]=4 2626 B9R1.11 COC(=O)C1CCNC1 Amb9721388 [1,0,0,1,0,0|2,0,0]=4 2627 B9R1.11 COC(=O)C1CCNN1 Amb27218833 [1,0,0,1,0,0|2,0,0]=4 2628 B9R1.11 COC(=O)C1CCNO1 Amb24607719 [1,0,0,1,0,0|1,0,0]=3 2629 B9R1.11 COC(=O)C1CCNO1 Amb32896053 [1,0,0,1,0,0|1,0,0]=3 2630 B9R1.11 COC(=O)C1CCOC1 Amb10610344 [1,0,0,1,0,0|2,0,0]=4 2631 B9R1.11 COC(=O)C1CCSC1 Amb24598032 [1,0,0,1,0,0|2,0,0]=4 2632 B9R1.11 COC(=O)C1CCSS1 Amb33483432 [1,0,0,1,0,0|1,1,0]=4 2633 B9R1.11 COC(=O)C1CNC=N1 Amb20668156 [1,0,0,1,0,0|2,0,0]=4 2634 B9R1.11 COC(=O)N1C=CCC1 Amb17843576 [1,0,0,1,0,0|2,0,0]=4 2635 B9R1.11 COC(=O)N1CCCO1 Amb27981531 [1,0,0,1,0,0|1,0,1]=4 2636 B9R1.11 COC(=O)[C@@H]1C=CCN1 Amb16183938 [1,0,0,1,0,0|2,0,0]=4 2637 B9R1.11 COC(=O)[C@@H]1C=CCN1 Amb22800018 [1,0,0,1,0,0|2,0,0]=4 2638 B9R1.11 COC(=O)[C@@H]1CCC=N1 Amb27249637 [1,0,0,1,0,0|1,0,0]=3 2639 B9R1.11 COC(=O)[C@@H]1CCCN1 Amb2700050 [1,0,0,1,0,0|1,0,1]=4 2640 B9R1.11 COC(=O)[C@@H]1CCCN1 Amb2720243 [1,0,0,1,0,0|1,0,1]=4 2641 B9R1.11 COC(=O)[C@@H]1CCCO1 Amb25113406 [1,0,0,1,0,0|0,0,1]=3 2642 B9R1.11 COC(=O)[C@@H]1CCNC1 Amb20241764 [1,0,0,1,0,0|2,0,0]=4 2643 B9R1.11 COC(=O)[C@@H]1CCNC1 Amb22225397 [1,0,0,1,0,0|2,0,0]=4 2644 B9R1.11 COC(=O)[C@@H]1CCNC1 Amb22405891 [1,0,0,1,0,0|2,0,0]=4 2645 B9R1.11 COC(=O)[C@@H]1CCOC1 Amb27167435 [1,0,0,1,0,0|2,0,0]=4 2646 B9R1.11 COC(=O)[C@@H]1CSC=N1 Amb28286149 [1,0,0,1,0,0|2,0,0]=4 2647 B9R1.11 COC(=O)[C@H]1C=CCN1 Amb27430886 [1,0,0,1,0,0|2,0,0]=4 2648 B9R1.11 COC(=O)[C@H]1CCCN1 Amb10844896 [1,0,0,1,0,0|1,0,1]=4 2649 B9R1.11 COC(=O)[C@H]1CCCN1 Amb2700059 [1,0,0,1,0,0|1,0,1]=4 2650 B9R1.11 COC(=O)[C@H]1CCC[NH2+]1 Amb6366044 [1,0,0,1,0,0|1,0,1]=4 2651 B9R1.11 COC(=O)[C@H]1CCNC1 Amb22405890 [1,0,0,1,0,0|2,0,0]=4 2652 B9R1.11 COC(=O)[C@H]1CCNC1 Amb22744897 [1,0,0,1,0,0|2,0,0]=4 2653 B9R1.11 COC(=O)[C@H]1CCNC1 Amb28398077 [1,0,0,1,0,0|2,0,0]=4 2654 B9R1.11 COC(=O)[C@H]1CCOC1 Amb23439173 [1,0,0,1,0,0|2,0,0]=4 2655 B9R1.39 C=CCCC1CNC1=O Amb28314166 [1,0,0,1,0,0|2,0,0]=4 2656 B9R1.49 C=C1CCCC(=O)NC1 Amb27252961 [1,0,0,1,0,0|2,0,0]=4 2657 B9R1.49 CC1=CCC(=O)CCC1 Amb27838790 [1,0,0,1,0,0|2,0,0]=4 2658 B9R1.49 O=C1C=CC(=O)CCC1 Amb28351041 [1,0,0,1,0,0|1,0,1]=4 2659 B9R1.49 O=C1CCC(=O)COC1 Amb2707216 [1,0,0,1,0,0|2,0,0]=4 2660 B9R1.49 O=C1CCCC(O)CN1 Amb22491274 [1,0,0,1,0,0|1,0,1]=4 2661 B9R1.49 O=C1CCCC(O)CO1 Amb28138759 [1,0,0,1,0,0|0,0,1]=3 2662 B9R1.49 O=C1CCCS(=O)CC1 Amb26476534 [1,0,0,1,0,0|2,0,0]=4 2663 B9R1.49 O=C1CCC[C@H](O)CC1 Amb27838657 [1,0,0,1,0,0|1,0,1]=4 2664 B9R1.49 O=C1CCNC(=O)CC1 Amb22490261 [1,0,0,1,0,0|2,0,0]=4 2665 B9R1.49 O=C1COC(=O)CCN1 Amb27168286 [1,0,0,1,0,0|1,0,0]=3 2666 B9R1.50 O=C1CCCCCCO1 Amb27468239 [1,0,0,1,0,0|1,0,1]=4 2667 B9R1.58 COC1CC(CC=O)C1 Amb27441194 [1,0,0,1,0,0|1,0,1]=4 2668 B9R1.79 COC(=O)CC1CCC1 Amb2697273 [1,0,0,1,0,0|1,0,1]=4 2669 B9R1.79 COC(=O)CC1CCN1 Amb27608136 [1,0,0,1,0,0|1,0,1]=4 2670 B9R1.79 COC(=O)CC1CNC1 Amb21960730 [1,0,0,1,0,0|2,0,0]=4 2671 B9R1.79 COC(=O)CC1CNC1 Amb21962978 [1,0,0,1,0,0|2,0,0]=4 2672 B9R1.79 COC(=O)CC1CNC1 Amb22057369 [1,0,0,1,0,0|2,0,0]=4 2673 B9R1.79 COC(=O)CC1COC1 Amb21960725 [1,0,0,1,0,0|2,0,0]=4 2674 B9R1.79 COC(=O)C[C@H]1CCN1 Amb27811905 [1,0,0,1,0,0|1,0,1]=4 2675 B9R1.80 COC(=O)CCC1CO1 Amb25377501 [1,0,0,1,0,0|0,0,1]=3 2676 B9R1.81 CCC(=O)N1CCC1=O Amb25190242 [1,0,0,1,0,0|2,0,0]=4 2677 B9R1.81 COC(=O)C1CCC1=O Amb26937068 [1,0,0,1,0,0|0,0,0]=2 2678 B9R1.81 COC(=O)C1CCC1C Amb25110041 [1,0,0,1,0,0|1,0,1]=4 2679 B9R1.81 COC(=O)C1CCC1N Amb25363640 [1,0,0,1,0,0|1,0,1]=4 2680 B9R1.81 COC(=O)C1CCC1N Amb32664922 [1,0,0,1,0,0|1,0,1]=4 2681 B9R1.81 COC(=O)C1CCN1C Amb26545071 [1,0,0,1,0,0|2,0,0]=4 2682 B9R1.81 COC(=O)C1CNC1=O Amb24665696 [1,0,0,1,0,0|1,0,0]=3 2683 B9R1.81 COC(=O)C1NCC1=O Amb28208249 [1,0,0,1,0,0|1,0,0]=3 2684 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb22232595 [1,0,0,1,0,0|1,0,1]=4 2685 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb23439308 [1,0,0,1,0,0|1,0,1]=4 2686 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb30633597 [1,0,0,1,0,0|1,0,1]=4 2687 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb33714361 [1,0,0,1,0,0|1,0,1]=4 2688 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N Amb33719044 [1,0,0,1,0,0|1,0,1]=4 2689 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Amb27617550 [1,0,0,1,0,0|1,0,1]=4 2690 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Amb33719045 [1,0,0,1,0,0|1,0,1]=4 2691 B9R1.81 COC(=O)[C@H]1CC[C@H]1C Amb25919237 [1,0,0,1,0,0|1,0,1]=4 2692 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Amb22232608 [1,0,0,1,0,0|1,0,1]=4 2693 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Amb34144031 [1,0,0,1,0,0|1,0,1]=4 2694 B9R1.88 C#CC1CC1C(=O)OC Amb27613668 [1,0,0,1,0,0|1,0,1]=4 2695 B9R1.88 C#C[C@@H]1C[C@H]1C(=O)OC Amb26547720 [1,0,0,1,0,0|1,0,1]=4 2696 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC Amb25861951 [1,0,0,1,0,0|1,0,1]=4 2697 B9R1.88 C=C[C@@H]1C[C@H]1C(=O)OC Amb28435247 [1,0,0,1,0,0|1,0,0]=3 2698 B9R1.88 CC[C@@H]1C[C@H]1C(=O)OC Amb27228248 [1,0,0,1,0,0|1,0,1]=4 2699 B9R1.88 COC(=O)C1CC1C#N Amb27262472 [1,0,0,1,0,0|1,0,1]=4 2700 B9R1.88 COC(=O)C1CC1C=O Amb24480363 [1,0,0,1,0,0|0,0,0]=2 2701 B9R1.88 COC(=O)C1CC1CN Amb22011650 [1,0,0,1,0,0|1,0,1]=4 2702 B9R1.88 COC(=O)C1CC1CN Amb22546318 [1,0,0,1,0,0|1,0,1]=4 2703 B9R1.88 COC(=O)C1CC1CO Amb25185377 [1,0,0,1,0,0|0,0,1]=3 2704 B9R1.88 COC(=O)C1CC1OC Amb35717357 [1,0,0,1,0,0|2,0,0]=4 2705 B9R1.88 COC(=O)C1OC1C=O Amb28253805 [1,0,0,1,0,0|1,0,0]=3 2706 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CBr Amb27489818 [1,0,0,1,0,0|1,0,1]=4 2707 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN Amb22900923 [1,0,0,1,0,0|1,0,1]=4 2708 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN Amb28468178 [1,0,0,1,0,0|1,0,1]=4 2709 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CO Amb24575289 [1,0,0,1,0,0|0,0,1]=3 2710 B9R1.88 COC(=O)[C@@H]1C[C@H]1C=O Amb27489067 [1,0,0,1,0,0|0,0,0]=2 2711 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr Amb35789287 [1,0,0,1,0,0|1,0,1]=4 2712 B9R1.88 COC(=O)[C@@H]1C[C@H]1CN Amb24517267 [1,0,0,1,0,0|1,0,1]=4 2713 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO Amb26035468 [1,0,0,1,0,0|0,0,1]=3 2714 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Amb27451981 [1,0,0,1,0,0|0,0,1]=3 2715 B9R1.88 COC(=O)[C@H]1C[C@H]1C#N Amb28287469 [1,0,0,1,0,0|1,0,1]=4 2716 B9R1.88 COC(=O)[C@H]1C[C@H]1C=O Amb27265977 [1,0,0,1,0,0|0,0,0]=2 2717 B9R1.88 COC(=O)[C@H]1O[C@@H]1C=O Amb27854798 [1,0,0,1,0,0|1,0,0]=3 2718 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO Amb8628624 [1,0,0,1,0,0|1,0,1]=4 2719 B9R1.132 C=CC1CCC(=O)C1C Amb28253911 [1,0,0,1,0,0|2,0,0]=4 2720 B9R1.132 C=CC1CCC(=O)N1C Amb25146894 [1,0,0,1,0,0|2,0,0]=4 2721 B9R1.132 C=C[C@@H]1CCC(=O)[C@H]1C Amb27880593 [1,0,0,1,0,0|2,0,0]=4 2722 B9R1.132 C=C[C@H]1CCC(=O)N1C Amb27862427 [1,0,0,1,0,0|2,0,0]=4 2723 B9R1.132 CC1=C(C=O)CCC1=O Amb27750321 [1,0,0,1,0,0|1,0,1]=4 2724 B9R1.132 CN1C(=O)CCC1C=O Amb24725330 [1,0,0,1,0,0|1,0,0]=3 2725 B9R1.132 CN1C(=O)CCC1CO Amb26447781 [1,0,0,1,0,0|1,0,1]=4 2726 B9R1.132 CN1C(=O)CC[C@@H]1CO Amb25032258 [1,0,0,1,0,0|1,0,1]=4 2727 B9R1.135 C=CCC1CC(=O)N1C Amb27392633 [1,0,0,1,0,0|2,0,0]=4 2728 B9R1.6 CC(=O)C1CC=CCC1 Amb27643727 [1,0,0,1,0,0|2,0,0]=4 2729 B9R1.6 CC(=O)C1CCC=NC1 Amb25073951 [1,0,0,1,0,0|2,0,0]=4 2730 B9R1.6 CC(=O)C1CCCOC1 Amb26932950 [1,0,0,1,0,0|1,0,1]=4 2731 B9R1.6 CC(=O)[C@@H]1CC=CCC1 Amb26643097 [1,0,0,1,0,0|2,0,0]=4 2732 B9R1.6 NC(=O)C1CC=CCC1 Amb16231370 [1,0,0,1,0,0|2,0,0]=4 2733 B9R1.6 NC(=O)C1CCCOC1 Amb9173672 [1,0,0,1,0,0|1,0,1]=4 2734 B9R1.6 NC(=O)[C@@H]1CC=CCC1 Amb24182044 [1,0,0,1,0,0|2,0,0]=4 2735 B9R1.6 O=C(Cl)C1CC=CCC1 Amb10844648 [1,0,0,1,0,0|2,0,0]=4 2736 B9R1.6 O=C(Cl)C1CC=COC1 Amb25189711 [1,0,0,1,0,0|1,0,1]=4 2737 B9R1.6 O=C(Cl)C1CCCOC1 Amb18280558 [1,0,0,1,0,0|1,0,1]=4 2738 B9R1.6 O=C(O)C1CC=CCC1 Amb2695197 [1,0,0,1,0,0|1,0,0]=3 2739 B9R1.6 O=C(O)C1CC=CCN1 Amb2698158 [1,0,0,1,0,0|2,0,0]=4 2740 B9R1.6 O=C(O)C1CC=CCO1 Amb18642584 [1,0,0,1,0,0|2,0,0]=4 2741 B9R1.6 O=C(O)C1CCCCC1 Amb2721294 [1,0,0,1,0,0|1,0,1]=4 2742 B9R1.6 O=C(O)C1CCCNC1 Amb6239367 [1,0,0,1,0,0|1,0,1]=4 2743 B9R1.6 O=C(O)C1CCCNC1 Amb9703145 [1,0,0,1,0,0|1,0,1]=4 2744 B9R1.6 O=C(O)C1CCCOC1 Amb1102367 [1,0,0,1,0,0|0,0,1]=3 2745 B9R1.6 O=C(O)C1CCCSC1 Amb33545067 [1,0,0,1,0,0|0,1,1]=4 2746 B9R1.6 O=C(O)C1CCNCC1 Amb2720245 [1,0,0,1,0,0|2,0,0]=4 2747 B9R1.6 O=C(O)C1CCNCC1 Amb932842 [1,0,0,1,0,0|2,0,0]=4 2748 B9R1.6 O=C(O)C1CCOCC1 Amb426862 [1,0,0,1,0,0|2,0,0]=4 2749 B9R1.6 O=C(O)C1CCSCC1 Amb6572253 [1,0,0,1,0,0|2,0,0]=4 2750 B9R1.6 O=C(O)C1CCSSC1 Amb26422767 [1,0,0,1,0,0|1,1,0]=4 2751 B9R1.6 O=C(O)C1CN=CNC1 Amb25146022 [1,0,0,1,0,0|2,0,0]=4 2752 B9R1.6 O=C(O)C1CN=CNC1 Amb28935019 [1,0,0,1,0,0|2,0,0]=4 2753 B9R1.6 O=C(O)C1COCCN1 Amb10607157 [1,0,0,1,0,0|1,0,1]=4 2754 B9R1.6 O=C(O)C1COCCN1 Amb2694767 [1,0,0,1,0,0|1,0,1]=4 2755 B9R1.6 O=C(O)C1COCCO1 Amb5399760 [1,0,0,1,0,0|1,0,1]=4 2756 B9R1.6 O=C(O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|1,0,0]=3 2757 B9R1.6 O=C(O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|2,0,0]=4 2758 B9R1.6 O=C(O)[C@@H]1CCC=NN1 Amb27468483 [1,0,0,1,0,0|2,0,0]=4 2759 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb16232354 [1,0,0,1,0,0|1,0,1]=4 2760 B9R1.6 O=C(O)[C@@H]1CCCNC1 Amb8628966 [1,0,0,1,0,0|1,0,1]=4 2761 B9R1.6 O=C(O)[C@@H]1CCCOC1 Amb26885613 [1,0,0,1,0,0|0,0,1]=3 2762 B9R1.6 O=C(O)[C@@H]1CCCSC1 Amb27826589 [1,0,0,1,0,0|0,1,1]=4 2763 B9R1.6 O=C(O)[C@@H]1COCCN1 Amb10576585 [1,0,0,1,0,0|1,0,1]=4 2764 B9R1.6 O=C(O)[C@@H]1COCCN1 Amb2696709 [1,0,0,1,0,0|1,0,1]=4 2765 B9R1.6 O=C(O)[C@@H]1COCCO1 Amb23438856 [1,0,0,1,0,0|1,0,1]=4 2766 B9R1.6 O=C(O)[C@H]1CC=CCC1 Amb17611453 [1,0,0,1,0,0|1,0,0]=3 2767 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [1,0,0,1,0,0|2,0,0]=4 2768 B9R1.6 O=C(O)[C@H]1CCC=NN1 Amb27596226 [1,0,0,1,0,0|2,0,0]=4 2769 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8384271 [1,0,0,1,0,0|1,0,1]=4 2770 B9R1.6 O=C(O)[C@H]1CCCNC1 Amb8389307 [1,0,0,1,0,0|1,0,1]=4 2771 B9R1.6 O=C(O)[C@H]1CCCSC1 Amb27809148 [1,0,0,1,0,0|0,1,1]=4 2772 B9R1.6 O=C(O)[C@H]1COCCN1 Amb16232575 [1,0,0,1,0,0|1,0,1]=4 2773 B9R1.6 O=C(O)[C@H]1COCCN1 Amb2696766 [1,0,0,1,0,0|1,0,1]=4 2774 B9R1.6 O=C(O)[C@H]1COCCO1 Amb26430807 [1,0,0,1,0,0|1,0,1]=4 2775 B9R1.9 COCCC1CC(=O)C1 Amb33457929 [1,0,0,1,0,0|1,0,1]=4 2776 B9R1.13 CC(=O)CC1CCOC1 Amb20622791 [1,0,0,1,0,0|1,0,1]=4 2777 B9R1.13 NC(=O)CC1CC=CC1 Amb27837715 [1,0,0,1,0,0|2,0,0]=4 2778 B9R1.13 NC(=O)C[C@H]1CCOC1 Amb27837647 [1,0,0,1,0,0|1,0,1]=4 2779 B9R1.13 O=C(Cl)CC1CCOC1 Amb22642272 [1,0,0,1,0,0|1,0,1]=4 2780 B9R1.13 O=C(O)CC1C=CCC1 Amb9703199 [1,0,0,1,0,0|1,0,1]=4 2781 B9R1.13 O=C(O)CC1CC=CC1 Amb25673915 [1,0,0,1,0,0|1,0,0]=3 2782 B9R1.13 O=C(O)CC1CCCC1 Amb16192937 [1,0,0,1,0,0|1,0,1]=4 2783 B9R1.13 O=C(O)CC1CCCC1 Amb3939847 [1,0,0,1,0,0|1,0,1]=4 2784 B9R1.13 O=C(O)CC1CCNC1 Amb2695002 [1,0,0,1,0,0|1,0,1]=4 2785 B9R1.13 O=C(O)CC1CCNC1 Amb33549788 [1,0,0,1,0,0|1,0,1]=4 2786 B9R1.13 O=C(O)CC1CCOC1 Amb2696440 [1,0,0,1,0,0|0,0,1]=3 2787 B9R1.13 O=C(O)CC1CCSC1 Amb18202318 [1,0,0,1,0,0|0,1,1]=4 2788 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb10067024 [1,0,0,1,0,0|1,0,1]=4 2789 B9R1.13 O=C(O)C[C@@H]1CCNC1 Amb26948232 [1,0,0,1,0,0|1,0,1]=4 2790 B9R1.13 O=C(O)C[C@@H]1CCOC1 Amb25887272 [1,0,0,1,0,0|0,0,1]=3 2791 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb2696648 [1,0,0,1,0,0|1,0,1]=4 2792 B9R1.13 O=C(O)C[C@H]1CCNC1 Amb8384306 [1,0,0,1,0,0|1,0,1]=4 2793 B9R1.13 O=C(O)C[C@H]1CCOC1 Amb23401495 [1,0,0,1,0,0|0,0,1]=3 2794 B9R1.41 CC(=O)C1CCC=C1C Amb26053403 [1,0,0,1,0,0|2,0,0]=4 2795 B9R1.41 CC1CCCC1C(=O)O Amb8496598 [1,0,0,1,0,0|1,0,1]=4 2796 B9R1.41 CC1NCCC1C(=O)O Amb18118138 [1,0,0,1,0,0|2,0,0]=4 2797 B9R1.41 CC1NCCC1C(=O)O Amb28555367 [1,0,0,1,0,0|2,0,0]=4 2798 B9R1.41 CC1OCCC1C(=O)O Amb33548509 [1,0,0,1,0,0|2,0,0]=4 2799 B9R1.41 CN1CCCC1C(=O)O Amb33545070 [1,0,0,1,0,0|1,0,1]=4 2800 B9R1.41 CN1CCCC1C(=O)O Amb8559038 [1,0,0,1,0,0|1,0,1]=4 2801 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb17935722 [1,0,0,1,0,0|1,0,1]=4 2802 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb18559228 [1,0,0,1,0,0|1,0,1]=4 2803 B9R1.41 CN1CCC[C@@H]1C(=O)O Amb22748316 [1,0,0,1,0,0|1,0,1]=4 2804 B9R1.41 CN1CCC[C@H]1C(=O)O Amb10604041 [1,0,0,1,0,0|1,0,1]=4 2805 B9R1.41 CN1CCC[C@H]1C(=O)O Amb22587172 [1,0,0,1,0,0|1,0,1]=4 2806 B9R1.41 CN1CCC[C@H]1C(=O)O Amb9825903 [1,0,0,1,0,0|1,0,1]=4 2807 B9R1.41 C[C@@H]1CCCC1C(=O)O Amb27167847 [1,0,0,1,0,0|1,0,1]=4 2808 B9R1.41 C[C@@H]1CCC[C@@H]1C(=O)O Amb10843957 [1,0,0,1,0,0|1,0,1]=4 2809 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O Amb10843949 [1,0,0,1,0,0|1,0,1]=4 2810 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O Amb27969130 [1,0,0,1,0,0|2,0,0]=4 2811 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O Amb18832568 [1,0,0,1,0,0|2,0,0]=4 2812 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O Amb22886528 [1,0,0,1,0,0|2,0,0]=4 2813 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O Amb25992190 [1,0,0,1,0,0|2,0,0]=4 2814 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O Amb10843959 [1,0,0,1,0,0|1,0,1]=4 2815 B9R1.41 C[C@H]1CCC[C@H]1C(=O)O Amb10843950 [1,0,0,1,0,0|1,0,1]=4 2816 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O Amb27655604 [1,0,0,1,0,0|2,0,0]=4 2817 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O Amb25253338 [1,0,0,1,0,0|2,0,0]=4 2818 B9R1.46 CC1CC1CCC(=O)O Amb27220003 [1,0,0,1,0,0|1,0,1]=4 2819 B9R1.48 CC1CCCCC(=O)O1 Amb27792220 [1,0,0,1,0,0|1,0,1]=4 2820 B9R1.59 C=C=CC1CC1C(=O)O Amb27257717 [1,0,0,1,0,0|1,0,1]=4 2821 B9R1.59 CC#CC1CC1C(=O)O Amb27406350 [1,0,0,1,0,0|1,0,1]=4 2822 B9R1.59 CC#C[C@@H]1C[C@H]1C(=O)O Amb27789635 [1,0,0,1,0,0|1,0,1]=4 2823 B9R1.59 CCCC1CC1C(=O)O Amb19001459 [1,0,0,1,0,0|1,0,1]=4 2824 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O Amb9901777 [1,0,0,1,0,0|1,0,1]=4 2825 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Amb25368727 [1,0,0,1,0,0|1,0,1]=4 2826 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O Amb27782329 [1,0,0,1,0,0|1,0,1]=4 2827 B9R1.59 CCOC1CC1C(=O)O Amb9677563 [1,0,0,1,0,0|2,0,0]=4 2828 B9R1.59 CCO[C@@H]1C[C@@H]1C(=O)O Amb27818165 [1,0,0,1,0,0|2,0,0]=4 2829 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O Amb25959626 [1,0,0,1,0,0|2,0,0]=4 2830 B9R1.59 COCC1CC1C(=O)O Amb27404704 [1,0,0,1,0,0|0,0,1]=3 2831 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O Amb33098418 [1,0,0,1,0,0|0,0,1]=3 2832 B9R1.59 COC[C@H]1C[C@H]1C(=O)O Amb33098416 [1,0,0,1,0,0|0,0,1]=3 2833 B9R1.59 CSCC1CC1C(=O)O Amb33272939 [1,0,0,1,0,0|0,1,1]=4 2834 B9R1.59 CSC[C@@H]1C[C@H]1C(=O)O Amb33272937 [1,0,0,1,0,0|0,1,1]=4 2835 B9R1.59 C\C=C\C1CC1C(=O)O Amb27169581 [1,0,0,1,0,0|1,0,0]=3 2836 B9R1.59 C\C=C\[C@@H]1C[C@H]1C(=O)O Amb27771439 [1,0,0,1,0,0|1,0,0]=3 2837 B9R1.84 CC(=O)CCC1COC1 Amb27670151 [1,0,0,1,0,0|1,0,1]=4 2838 B9R1.84 O=C(O)CCC1CCC1 Amb8011305 [1,0,0,1,0,0|1,0,1]=4 2839 B9R1.84 O=C(O)CCC1CCO1 Amb28280741 [1,0,0,1,0,0|2,0,0]=4 2840 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [1,0,0,1,0,0|2,0,0]=4 2841 B9R1.84 O=C(O)CNC1COC1 Amb22737320 [1,0,0,1,0,0|1,0,1]=4 2842 B9R1.84 O=C(O)COC1COC1 Amb24539538 [1,0,0,1,0,0|1,0,1]=4 2843 B9R1.84 O=C(O)CSC1COC1 Amb27589904 [1,0,0,1,0,0|1,0,1]=4 2844 B9R1.85 O=C(O)CCCC1CC1 Amb18832629 [1,0,0,1,0,0|1,0,1]=4 2845 B9R1.85 O=C(O)CCCC1CO1 Amb28453878 [1,0,0,1,0,0|0,0,1]=3 2846 B9R1.85 O=C(O)CCC[C@@H]1CO1 Amb27257665 [1,0,0,1,0,0|0,0,1]=3 2847 B9R1.86 CCC1CC1CC(=O)O Amb27249848 [1,0,0,1,0,0|1,0,1]=4 2848 B9R1.96 CCC1CCC1C(=O)O Amb25727014 [1,0,0,1,0,0|1,0,1]=4 2849 B9R1.96 CCN1CCC1C(=O)O Amb22011877 [1,0,0,1,0,0|2,0,0]=4 2850 B9R1.96 CCN1CC[C@@H]1C(=O)O Amb24634744 [1,0,0,1,0,0|2,0,0]=4 2851 B9R1.96 CCN1CC[C@H]1C(=O)O Amb25347394 [1,0,0,1,0,0|2,0,0]=4 2852 B9R1.96 COC1CCC1C(=O)O Amb26516125 [1,0,0,1,0,0|0,0,1]=3 2853 B9R1.96 COC1CCC1C(N)=O Amb27645560 [1,0,0,1,0,0|1,0,1]=4 2854 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O Amb34912847 [1,0,0,1,0,0|0,0,1]=3 2855 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O Amb26636288 [1,0,0,1,0,0|0,0,1]=3 2856 B9R1.96 C\C=C1/CN[C@@H]1C(=O)O Amb25075476 [1,0,0,1,0,0|2,0,0]=4 2857 B9R1.35 C=C(C)C1CCC(=O)N1 Amb27196085 [1,0,0,1,0,0|2,0,0]=4 2858 B9R1.35 C=C(C)C1CNC(=O)O1 Amb33199198 [1,0,0,1,0,0|2,0,0]=4 2859 B9R1.35 C=C1CCC(C(=O)O)C1 Amb28369274 [1,0,0,1,0,0|1,0,0]=3 2860 B9R1.35 C=C1CCC(C(C)=O)C1 Amb27476121 [1,0,0,1,0,0|2,0,0]=4 2861 B9R1.35 C=C1CN[C@@H](C(=O)O)C1 Amb27795857 [1,0,0,1,0,0|2,0,0]=4 2862 B9R1.35 C=C1CN[C@H](C(=O)O)C1 Amb27400250 [1,0,0,1,0,0|2,0,0]=4 2863 B9R1.35 CC(=O)C1C=C(C)CC1 Amb28137737 [1,0,0,1,0,0|2,0,0]=4 2864 B9R1.35 CC(=O)C1CCC(=O)C1 Amb24423910 [1,0,0,1,0,0|1,0,0]=3 2865 B9R1.35 CC(=O)C1CCC(=O)O1 Amb3428694 [1,0,0,1,0,0|0,0,0]=2 2866 B9R1.35 CC(=O)C1CCC(O)O1 Amb27838664 [1,0,0,1,0,0|0,0,2]=4 2867 B9R1.35 CC(=O)C1CC[C@@H](C)O1 Amb33423868 [1,0,0,1,0,0|1,0,1]=4 2868 B9R1.35 CC(=O)C1CN=C(C)O1 Amb26529070 [1,0,0,1,0,0|2,0,0]=4 2869 B9R1.35 CC(=O)C1CNC(=O)C1 Amb27488585 [1,0,0,1,0,0|2,0,0]=4 2870 B9R1.35 CC(=O)N1CCC(=O)C1 Amb18832698 [1,0,0,1,0,0|2,0,0]=4 2871 B9R1.35 CC(=O)N1CCC(=O)N1 Amb32721860 [1,0,0,1,0,0|2,0,0]=4 2872 B9R1.35 CC(=O)[C@@H]1CCC(=O)C1 Amb24407171 [1,0,0,1,0,0|1,0,0]=3 2873 B9R1.35 CC(=O)[C@@H]1CCC(=O)N1 Amb27167616 [1,0,0,1,0,0|1,0,0]=3 2874 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [1,0,0,1,0,0|0,0,0]=2 2875 B9R1.35 CC(=O)[C@@H]1CC[C@H](C)O1 Amb26958731 [1,0,0,1,0,0|1,0,1]=4 2876 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 Amb26590768 [1,0,0,1,0,0|1,0,0]=3 2877 B9R1.35 CC(=O)[C@H]1CCC(=O)N1 Amb27877407 [1,0,0,1,0,0|1,0,0]=3 2878 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [1,0,0,1,0,0|2,0,0]=4 2879 B9R1.35 CC(O)C1CCC(=O)O1 Amb25998293 [1,0,0,1,0,0|0,0,2]=4 2880 B9R1.35 CC1=CC(C(=O)O)NC1 Amb27751727 [1,0,0,1,0,0|2,0,0]=4 2881 B9R1.35 CC1=CC(C(=O)O)SC1 Amb10809142 [1,0,0,1,0,0|2,0,0]=4 2882 B9R1.35 CC1=NC(C(=O)O)CC1 Amb23438203 [1,0,0,1,0,0|1,0,0]=3 2883 B9R1.35 CC1=NC(C(=O)O)CC1 Amb32409643 [1,0,0,1,0,0|1,0,0]=3 2884 B9R1.35 CC1=NC(C(=O)O)CO1 Amb20621597 [1,0,0,1,0,0|2,0,0]=4 2885 B9R1.35 CC1=NC(C(=O)O)CS1 Amb18124720 [1,0,0,1,0,0|2,0,0]=4 2886 B9R1.35 CC1=NCC(C(=O)O)N1 Amb24599993 [1,0,0,1,0,0|2,0,0]=4 2887 B9R1.35 CC1=NCC(C(=O)O)S1 Amb27958674 [1,0,0,1,0,0|1,1,0]=4 2888 B9R1.35 CC1=NC[C@H](C(=O)O)N1 Amb27827434 [1,0,0,1,0,0|2,0,0]=4 2889 B9R1.35 CC1=N[C@@H](C(=O)O)CS1 Amb32676192 [1,0,0,1,0,0|2,0,0]=4 2890 B9R1.35 CC1=N[C@H](C(=O)O)CC1 Amb27455557 [1,0,0,1,0,0|1,0,0]=3 2891 B9R1.35 CC1=N[C@H](C(=O)O)CS1 Amb35648200 [1,0,0,1,0,0|2,0,0]=4 2892 B9R1.35 CC1CCC(C(=O)O)C1 Amb18642624 [1,0,0,1,0,0|1,0,1]=4 2893 B9R1.35 CC1CCC(C(=O)O)N1 Amb18832572 [1,0,0,1,0,0|1,0,1]=4 2894 B9R1.35 CC1CCC(C(=O)O)N1 Amb32652343 [1,0,0,1,0,0|1,0,1]=4 2895 B9R1.35 CC1CCC(C(=O)O)O1 Amb17593370 [1,0,0,1,0,0|0,0,2]=4 2896 B9R1.35 CC1CCC(C(=O)O)S1 Amb25719281 [1,0,0,1,0,0|0,1,1]=4 2897 B9R1.35 CC1CC[C@H](C(=O)O)N1 Amb22748252 [1,0,0,1,0,0|1,0,1]=4 2898 B9R1.35 CN1CCC(C(=O)O)C1 Amb3941190 [1,0,0,1,0,0|2,0,0]=4 2899 B9R1.35 CN1CCC(C(=O)O)C1 Amb9154860 [1,0,0,1,0,0|2,0,0]=4 2900 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22746030 [1,0,0,1,0,0|2,0,0]=4 2901 B9R1.35 CN1CC[C@@H](C(=O)O)C1 Amb22756448 [1,0,0,1,0,0|2,0,0]=4 2902 B9R1.35 CN1CC[C@H](C(=O)O)C1 Amb26635487 [1,0,0,1,0,0|2,0,0]=4 2903 B9R1.35 C[C@@H](N)[C@H]1CCC(=O)O1 Amb28456584 [1,0,0,1,0,0|1,0,1]=4 2904 B9R1.35 C[C@@H]1CCC(C(=O)O)O1 Amb33423875 [1,0,0,1,0,0|0,0,2]=4 2905 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)C1 Amb28429501 [1,0,0,1,0,0|1,0,1]=4 2906 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Amb31308105 [1,0,0,1,0,0|1,0,1]=4 2907 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)C1 Amb10843961 [1,0,0,1,0,0|1,0,1]=4 2908 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb24399449 [1,0,0,1,0,0|1,0,1]=4 2909 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Amb32652487 [1,0,0,1,0,0|1,0,1]=4 2910 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 Amb22886534 [1,0,0,1,0,0|0,0,2]=4 2911 B9R1.35 C[C@H](N)[C@H]1CCC(=O)O1 Amb27850574 [1,0,0,1,0,0|1,0,1]=4 2912 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb24598417 [1,0,0,1,0,0|1,0,1]=4 2913 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Amb35745779 [1,0,0,1,0,0|1,0,1]=4 2914 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 Amb24651587 [1,0,0,1,0,0|0,0,2]=4 2915 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 Amb33871500 [1,0,0,1,0,0|1,0,1]=4 2916 B9R1.35 NC(=O)C1CCC(=O)N1 Amb17142856 [1,0,0,1,0,0|2,0,0]=4 2917 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [1,0,0,1,0,0|1,0,0]=3 2918 B9R1.35 NC(=O)C1CNC(=O)C1 Amb1803351 [1,0,0,1,0,0|2,0,0]=4 2919 B9R1.35 NC(=O)C1CNC(=O)O1 Amb27200796 [1,0,0,1,0,0|2,0,0]=4 2920 B9R1.35 NC(=O)C1CSC(=O)C1 Amb27837681 [1,0,0,1,0,0|2,0,0]=4 2921 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 Amb4018786 [1,0,0,1,0,0|2,0,0]=4 2922 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [1,0,0,1,0,0|1,0,0]=3 2923 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 Amb27961076 [1,0,0,1,0,0|2,0,0]=4 2924 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 Amb26909560 [1,0,0,1,0,0|1,0,0]=3 2925 B9R1.35 NC(=S)C1CCC(=O)O1 Amb27791679 [1,0,0,1,0,0|1,1,0]=4 2926 B9R1.35 NC1=NC(C(=O)O)CC1 Amb32718833 [1,0,0,1,0,0|2,0,0]=4 2927 B9R1.35 NC1=N[C@@H](C(=O)O)CC1 Amb27202599 [1,0,0,1,0,0|2,0,0]=4 2928 B9R1.35 NC1CCC(C(=O)O)C1 Amb10066880 [1,0,0,1,0,0|1,0,1]=4 2929 B9R1.35 NC1CCC(C(=O)O)C1 Amb2694935 [1,0,0,1,0,0|1,0,1]=4 2930 B9R1.35 N[C@@H]1CCC(C(=O)O)C1 Amb27263056 [1,0,0,1,0,0|1,0,1]=4 2931 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb10066881 [1,0,0,1,0,0|1,0,1]=4 2932 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 Amb33801942 [1,0,0,1,0,0|1,0,1]=4 2933 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb33801272 [1,0,0,1,0,0|1,0,1]=4 2934 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Amb8516357 [1,0,0,1,0,0|1,0,1]=4 2935 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb22746692 [1,0,0,1,0,0|1,0,1]=4 2936 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Amb8516356 [1,0,0,1,0,0|1,0,1]=4 2937 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb10066883 [1,0,0,1,0,0|1,0,1]=4 2938 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Amb22756038 [1,0,0,1,0,0|1,0,1]=4 2939 B9R1.35 O=C(O)C1CCC(Br)C1 Amb2695404 [1,0,0,1,0,0|1,0,1]=4 2940 B9R1.35 O=C(O)C1CCC(F)C1 Amb22886545 [1,0,0,1,0,0|1,0,1]=4 2941 B9R1.35 O=C(O)C1CCC(I)C1 Amb23456141 [1,0,0,1,0,0|1,0,1]=4 2942 B9R1.35 O=C(O)C1CCC(O)C1 Amb21963572 [1,0,0,1,0,0|0,0,2]=4 2943 B9R1.35 O=C(O)C1CCC(S)C1 Amb27403449 [1,0,0,1,0,0|0,1,1]=4 2944 B9R1.35 O=C(O)C1CSS(=O)C1 Amb27165800 [1,0,0,1,0,0|2,0,0]=4 2945 B9R1.35 O=C(O)[C@@H]1CCC(=S)N1 Amb26857015 [1,0,0,1,0,0|1,1,0]=4 2946 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Amb22746558 [1,0,0,1,0,0|0,0,2]=4 2947 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Amb27784295 [1,0,0,1,0,0|0,0,2]=4 2948 B9R1.35 O=C(O)[C@@H]1CC[C@H](S)C1 Amb26438302 [1,0,0,1,0,0|0,1,1]=4 2949 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Amb26960428 [1,0,0,1,0,0|0,0,2]=4 2950 B9R1.35 O=C(O)[C@H]1CC[C@H](O)N1 Amb27421972 [1,0,0,1,0,0|1,0,1]=4 2951 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [1,0,0,1,0,0|0,0,2]=4 2952 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [1,0,0,1,0,0|0,0,2]=4 2953 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|1,0,0]=3 2954 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|1,0,0]=3 2955 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|1,0,0]=3 2956 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [1,0,0,1,0,0|2,0,0]=4 2957 B9R1.35 O=C1CCC(B(O)O)C1 Amb27866777 [1,0,0,1,0,0|1,0,1]=4 2958 B9R1.35 O=C1CCC(C(=O)Cl)C1 Amb25282784 [1,0,0,1,0,0|1,0,0]=3 2959 B9R1.35 O=C1CCC(C(=O)Cl)N1 Amb17142869 [1,0,0,1,0,0|2,0,0]=4 2960 B9R1.35 O=C1CCC(C(=O)Cl)O1 Amb24648754 [1,0,0,1,0,0|1,0,0]=3 2961 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|0,0,0]=2 2962 B9R1.35 O=C1CCC(C(=O)O)N1 Amb9703102 [1,0,0,1,0,0|1,0,0]=3 2963 B9R1.35 O=C1CCC(C(=O)O)O1 Amb20623076 [1,0,0,1,0,0|0,0,0]=2 2964 B9R1.35 O=C1CCC(C(=O)O)S1 Amb23439315 [1,0,0,1,0,0|0,1,0]=3 2965 B9R1.35 O=C1CCC(C(=O)[O-])N1 Amb8514777 [1,0,0,1,0,0|1,0,1]=4 2966 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 Amb22388653 [1,0,0,1,0,0|1,0,0]=3 2967 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|0,0,0]=2 2968 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb1995036 [1,0,0,1,0,0|1,0,0]=3 2969 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 Amb24099403 [1,0,0,1,0,0|1,0,0]=3 2970 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 Amb2722887 [1,0,0,1,0,0|0,0,0]=2 2971 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 Amb8395173 [1,0,0,1,0,0|1,0,1]=4 2972 B9R1.35 O=C1CC[C@H](C(=O)Cl)O1 Amb22747149 [1,0,0,1,0,0|1,0,0]=3 2973 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|0,0,0]=2 2974 B9R1.35 O=C1CC[C@H](C(=O)O)N1 Amb2694994 [1,0,0,1,0,0|1,0,0]=3 2975 B9R1.35 O=C1CC[C@H](C(=O)O)O1 Amb2720513 [1,0,0,1,0,0|0,0,0]=2 2976 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [1,0,0,1,0,0|1,0,0]=3 2977 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [1,0,0,1,0,0|1,0,0]=3 2978 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [1,0,0,1,0,0|1,0,0]=3 2979 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [1,0,0,1,0,0|1,0,0]=3 2980 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [1,0,0,1,0,0|1,0,0]=3 2981 B9R1.35 O=C1CSC(C(=O)Cl)O1 Amb25724287 [1,0,0,1,0,0|2,0,0]=4 2982 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [1,0,0,1,0,0|1,0,0]=3 2983 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [1,0,0,1,0,0|1,0,0]=3 2984 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|1,0,0]=3 2985 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|1,0,0]=3 2986 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|1,0,0]=3 2987 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|2,0,0]=4 2988 B9R1.35 O=C1NC(C(=O)O)CS1 Amb3319393 [1,0,0,1,0,0|2,0,0]=4 2989 B9R1.35 O=C1NCC(C(=O)O)N1 Amb2780032 [1,0,0,1,0,0|2,0,0]=4 2990 B9R1.35 O=C1NCC(C(=O)O)O1 Amb24112958 [1,0,0,1,0,0|1,0,0]=3 2991 B9R1.35 O=C1NCC(C(=O)O)S1 Amb24084914 [1,0,0,1,0,0|1,1,0]=4 2992 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 Amb3997304 [1,0,0,1,0,0|2,0,0]=4 2993 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 Amb25146207 [1,0,0,1,0,0|1,0,0]=3 2994 B9R1.35 O=C1NC[C@H](C(=O)O)N1 Amb24079612 [1,0,0,1,0,0|2,0,0]=4 2995 B9R1.35 O=C1NC[C@H](C(=O)O)O1 Amb27771494 [1,0,0,1,0,0|1,0,0]=3 2996 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|2,0,0]=4 2997 B9R1.35 O=C1N[C@@H](C(=O)O)CS1 Amb537246 [1,0,0,1,0,0|2,0,0]=4 2998 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|2,0,0]=4 2999 B9R1.35 O=C1N[C@H](C(=O)O)CS1 Amb1157856 [1,0,0,1,0,0|2,0,0]=4 3000 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|1,0,0]=3 3001 B9R1.35 O=C1SCC(C(=O)O)S1 Amb23504458 [1,0,0,1,0,0|1,1,0]=4 3002 B9R1.53 C=C1CC(CC(=O)O)C1 Amb35788335 [1,0,0,1,0,0|1,0,0]=3 3003 B9R1.53 C=C1CN(CC(=O)O)C1 Amb30026788 [1,0,0,1,0,0|2,0,0]=4 3004 B9R1.53 CC(=O)CC1CC(=O)N1 Amb26593659 [1,0,0,1,0,0|1,0,0]=3 3005 B9R1.53 CC(=O)OC1CC(=O)C1 Amb21961279 [1,0,0,1,0,0|2,0,0]=4 3006 B9R1.53 CC(=O)OC1CC(=O)N1 Amb8383894 [1,0,0,1,0,0|2,0,0]=4 3007 B9R1.53 CC(=O)O[C@@H]1CC(=O)N1 Amb27961491 [1,0,0,1,0,0|2,0,0]=4 3008 B9R1.53 CC(=O)SC1CC(=O)N1 Amb27225587 [1,0,0,1,0,0|2,0,0]=4 3009 B9R1.53 CC1CC(CC(=O)O)C1 Amb27461451 [1,0,0,1,0,0|1,0,1]=4 3010 B9R1.53 CN1CC(CC(=O)O)C1 Amb26596162 [1,0,0,1,0,0|2,0,0]=4 3011 B9R1.53 CN1CC(CC(=O)O)C1 Amb28895941 [1,0,0,1,0,0|2,0,0]=4 3012 B9R1.53 C[C@H]1C[C@H](CC(=O)O)C1 Amb27859343 [1,0,0,1,0,0|1,0,1]=4 3013 B9R1.53 NC(=O)CC1CC(=O)N1 Amb27186130 [1,0,0,1,0,0|2,0,0]=4 3014 B9R1.53 NC1CC(CC(=O)O)C1 Amb23440231 [1,0,0,1,0,0|1,0,1]=4 3015 B9R1.53 NC1CC(CC(=O)O)C1 Amb30585228 [1,0,0,1,0,0|1,0,1]=4 3016 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb23440232 [1,0,0,1,0,0|1,0,1]=4 3017 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 Amb24056536 [1,0,0,1,0,0|1,0,1]=4 3018 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb23440233 [1,0,0,1,0,0|1,0,1]=4 3019 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 Amb31291707 [1,0,0,1,0,0|1,0,1]=4 3020 B9R1.53 O=C(O)CC1CC(=O)C1 Amb27493654 [1,0,0,1,0,0|0,0,0]=2 3021 B9R1.53 O=C(O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|1,0,0]=3 3022 B9R1.53 O=C(O)CC1CC(F)C1 Amb27186311 [1,0,0,1,0,0|1,0,1]=4 3023 B9R1.53 O=C(O)C[C@H]1C[C@@H](O)C1 Amb26043308 [1,0,0,1,0,0|0,0,2]=4 3024 B9R1.53 O=C(O)C[C@H]1C[C@H](O)C1 Amb25204858 [1,0,0,1,0,0|0,0,2]=4 3025 B9R1.66 CC1(C)CCCC(=O)O1 Amb25863489 [1,0,0,1,0,0|1,0,1]=4 3026 B9R1.66 CC1(O)CCCC(=O)C1 Amb28202235 [1,0,0,1,0,0|1,0,1]=4 3027 B9R1.66 C[Si]1(C)CCCC(=O)O1 Amb27845166 [1,0,0,1,0,0|1,1,0]=4 3028 B9R1.66 O=C1CCCS(=O)(=O)C1 Amb13953230 [1,0,0,1,0,0|1,0,1]=4 3029 B9R1.161 C=C(C)C1CC1C(=O)O Amb25887453 [1,0,0,1,0,0|1,0,0]=3 3030 B9R1.161 C=C(C)[C@@H]1C[C@H]1C(=O)O Amb33199898 [1,0,0,1,0,0|1,0,0]=3 3031 B9R1.161 C=C(C)[C@H]1C[C@H]1C(C)=O Amb28054459 [1,0,0,1,0,0|2,0,0]=4 3032 B9R1.161 CC(=O)C1CC1C(C)=O Amb27861276 [1,0,0,1,0,0|1,0,0]=3 3033 B9R1.161 CC(=O)C1OC1C(N)=O Amb28383609 [1,0,0,1,0,0|2,0,0]=4 3034 B9R1.161 CC(=O)[C@@H]1C[C@H]1C(C)=O Amb28246517 [1,0,0,1,0,0|1,0,0]=3 3035 B9R1.161 CC(=O)[C@@H]1O[C@@H]1C(N)=O Amb27194051 [1,0,0,1,0,0|2,0,0]=4 3036 B9R1.161 CC(=O)[C@H]1C[C@H]1C(C)=O Amb28248083 [1,0,0,1,0,0|1,0,0]=3 3037 B9R1.161 CC(C)C1CC1C(=O)O Amb18285139 [1,0,0,1,0,0|1,0,1]=4 3038 B9R1.161 CC(C)[C@@H]1C[C@H]1C(=O)O Amb33360310 [1,0,0,1,0,0|1,0,1]=4 3039 B9R1.161 CC(N)C1CC1C(=O)O Amb27441985 [1,0,0,1,0,0|1,0,1]=4 3040 B9R1.161 CC(O)C1CC1C(=O)O Amb25888760 [1,0,0,1,0,0|0,0,2]=4 3041 B9R1.161 CC(O)[C@@H]1C[C@@H]1C(=O)O Amb28457538 [1,0,0,1,0,0|0,0,2]=4 3042 B9R1.161 CC(O)[C@@H]1C[C@H]1C(=O)O Amb27489157 [1,0,0,1,0,0|0,0,2]=4 3043 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|1,0,0]=3 3044 B9R1.161 NC(=O)C1CC1C(N)=O Amb27661569 [1,0,0,1,0,0|2,0,0]=4 3045 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [1,0,0,1,0,0|2,0,0]=4 3046 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|1,0,0]=3 3047 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|1,0,0]=3 3048 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|1,0,0]=3 3049 B9R1.161 O=C(O)C1CC1B(O)O Amb27599742 [1,0,0,1,0,0|1,0,1]=4 3050 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|1,0,0]=3 3051 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|0,0,0]=2 3052 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] Amb9197005 [1,0,0,1,0,0|1,0,1]=4 3053 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [1,0,0,1,0,0|1,0,0]=3 3054 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|0,0,0]=2 3055 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Amb25109456 [1,0,0,1,0,0|1,0,1]=4 3056 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [1,0,0,1,0,0|1,0,0]=3 3057 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|0,0,0]=2 3058 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] Amb26439479 [1,0,0,1,0,0|1,0,1]=4 3059 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|0,0,0]=2 3060 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [1,0,0,1,0,0|1,0,0]=3 3061 B9R1.166 CC1(C)CCC1C(=O)O Amb25032090 [1,0,0,1,0,0|1,0,1]=4 3062 B9R1.166 O=C(O)C1CCS1(=O)=O Amb33309510 [1,0,0,1,0,0|1,0,1]=4 3063 B9R1.170 CC(=O)CC1CC1(C)O Amb28461242 [1,0,0,1,0,0|1,0,1]=4 3064 B9R1.170 CC1(C)CC1CC(=O)O Amb25145962 [1,0,0,1,0,0|1,0,1]=4 3065 B9R1.10 O=C1CCP(=O)(O)CC1 Amb27838625 [0,0,0,1,1,0|2,0,0]=4 3066 B9R1.69 CC1=CC(=O)CCC1=O Amb28455194 [0,0,0,1,1,0|2,0,0]=4 3067 B9R1.69 CC1NC(=O)CCC1=O Amb27874094 [0,0,0,1,1,0|2,0,0]=4 3068 B9R1.69 CC1OC(=O)COC1=O Amb27421415 [0,0,0,1,1,0|2,0,0]=4 3069 B9R1.69 CN1CC(=O)CCC1=O Amb23555663 [0,0,0,1,1,0|2,0,0]=4 3070 B9R1.82 C=C1CC(C(=O)OC)C1 Amb21962131 [0,0,0,1,1,0|2,0,0]=4 3071 B9R1.82 COC(=O)C1CC(=O)C1 Amb17597687 [0,0,0,1,1,0|1,0,0]=3 3072 B9R1.82 COC(=O)C1CC(=O)N1 Amb24711580 [0,0,0,1,1,0|1,0,0]=3 3073 B9R1.82 COC(=O)C1CC(C)O1 Amb22737249 [0,0,0,1,1,0|1,0,1]=4 3074 B9R1.82 COC(=O)C1CC(O)C1 Amb19516177 [0,0,0,1,1,0|1,0,1]=4 3075 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Amb22747568 [0,0,0,1,1,0|1,0,0]=3 3076 B9R1.82 COC(=O)[C@@H]1CC(=S)N1 Amb24478569 [0,0,0,1,1,0|1,1,0]=4 3077 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 Amb24056487 [0,0,0,1,1,0|1,0,1]=4 3078 B9R1.82 COC(=O)[C@@H]1C[C@H](C)O1 Amb26885653 [0,0,0,1,1,0|1,0,1]=4 3079 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 Amb22754751 [0,0,0,1,1,0|1,0,1]=4 3080 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 Amb22746996 [0,0,0,1,1,0|1,0,1]=4 3081 B9R1.95 COC1CC(C(=O)O)C1 Amb8011538 [0,0,0,1,1,0|1,0,1]=4 3082 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 Amb23440276 [0,0,0,1,1,0|1,0,1]=4 3083 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 Amb23440277 [0,0,0,1,1,0|1,0,1]=4 3084 B11R1.20 CC(=O)NC1CCC(=O)CC1 Amb1162738 [0,0,0,1,0,1|2,0,0]=4 3085 B11R1.20 CC(=O)OC1CCC(=O)CC1 Amb8391813 [0,0,0,1,0,1|2,0,0]=4 3086 B11R1.20 CC(=O)SC1CCC(=O)CC1 Amb26449704 [0,0,0,1,0,1|2,0,0]=4 3087 B11R1.20 CC1CCC(CC(=O)O)CO1 Amb29866063 [0,0,0,1,0,1|1,0,1]=4 3088 B11R1.20 CC1CNC(CC(=O)O)CO1 Amb27462541 [0,0,0,1,0,1|1,0,1]=4 3089 B11R1.20 NC(=O)CC1CCC(=O)CC1 Amb28048062 [0,0,0,1,0,1|2,0,0]=4 3090 B11R1.20 NC(=O)CC1CNC(=O)CO1 Amb27638841 [0,0,0,1,0,1|2,0,0]=4 3091 B11R1.20 NC(=O)CN1CCC(=O)CC1 Amb6264556 [0,0,0,1,0,1|2,0,0]=4 3092 B11R1.20 NC(=O)NC1CCC(=O)CC1 Amb9517811 [0,0,0,1,0,1|2,0,0]=4 3093 B11R1.20 O=C(O)CC1=NNC(=O)CC1 Amb27946715 [0,0,0,1,0,1|2,0,0]=4 3094 B11R1.20 O=C(O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,1|1,0,0]=3 3095 B11R1.20 O=C(O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|1,0,0]=3 3096 B11R1.20 O=C(O)CC1CNC(=O)CN1 Amb24655930 [0,0,0,1,0,1|1,0,0]=3 3097 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb21955570 [0,0,0,1,0,1|1,0,0]=3 3098 B11R1.20 O=C(O)CN1CCC(=O)CC1 Amb2721845 [0,0,0,1,0,1|1,0,0]=3 3099 B11R1.20 O=C(O)C[C@H]1CNC(=O)CN1 Amb27473255 [0,0,0,1,0,1|1,0,0]=3 3100 B11R1.20 O=C1CCC(OC(=O)Cl)CC1 Amb33296969 [0,0,0,1,0,1|2,0,0]=4 3101 B11R1.23 C=C1CCNC(C(=O)OC)C1 Amb27750430 [0,0,0,1,0,1|2,0,0]=4 3102 B11R1.23 CCC(=O)C1CCC=C(C)O1 Amb27225432 [0,0,0,1,0,1|2,0,0]=4 3103 B11R1.23 CCC(=O)C1CCCC(=O)C1 Amb27226521 [0,0,0,1,0,1|2,0,0]=4 3104 B11R1.23 CCC(=O)N1CCCC(=O)C1 Amb27267527 [0,0,0,1,0,1|2,0,0]=4 3105 B11R1.23 CNC(=O)C1CCCC(=O)C1 Amb25351444 [0,0,0,1,0,1|2,0,0]=4 3106 B11R1.23 CNC(=O)C1CCCC(=O)N1 Amb27981911 [0,0,0,1,0,1|2,0,0]=4 3107 B11R1.23 COC(=O)C1=CC(=O)CCC1 Amb22284374 [0,0,0,1,0,1|1,0,0]=3 3108 B11R1.23 COC(=O)C1C=C(C)CNC1 Amb18644736 [0,0,0,1,0,1|2,0,0]=4 3109 B11R1.23 COC(=O)C1C=CCC(=O)C1 Amb25700306 [0,0,0,1,0,1|1,0,1]=4 3110 B11R1.23 COC(=O)C1CC(=O)CCN1 Amb13889092 [0,0,0,1,0,1|1,0,0]=3 3111 B11R1.23 COC(=O)C1CC(=O)CCO1 Amb25309255 [0,0,0,1,0,1|1,0,0]=3 3112 B11R1.23 COC(=O)C1CC(O)CCN1 Amb21856404 [0,0,0,1,0,1|1,0,1]=4 3113 B11R1.23 COC(=O)C1CC(O)CCN1 Amb21963536 [0,0,0,1,0,1|1,0,1]=4 3114 B11R1.23 COC(=O)C1CC=CC(=O)C1 Amb24633337 [0,0,0,1,0,1|1,0,1]=4 3115 B11R1.23 COC(=O)C1CCCC(=O)C1 Amb33543758 [0,0,0,1,0,1|1,0,0]=3 3116 B11R1.23 COC(=O)C1CCCC(=O)N1 Amb13886339 [0,0,0,1,0,1|1,0,0]=3 3117 B11R1.23 COC(=O)C1CCCC(N)=N1 Amb27803936 [0,0,0,1,0,1|2,0,0]=4 3118 B11R1.23 COC(=O)C1CCCC(O)C1 Amb19516181 [0,0,0,1,0,1|1,0,1]=4 3119 B11R1.23 COC(=O)C1CCN=C(N)C1 Amb27402999 [0,0,0,1,0,1|2,0,0]=4 3120 B11R1.23 COC(=O)C1CCN=C(N)C1 Amb28652911 [0,0,0,1,0,1|2,0,0]=4 3121 B11R1.23 COC(=O)C1CCNC(=O)C1 Amb21922898 [0,0,0,1,0,1|1,0,0]=3 3122 B11R1.23 COC(=O)C1CCNC(=O)N1 Amb27596662 [0,0,0,1,0,1|1,0,0]=3 3123 B11R1.23 COC(=O)C1CCNC(=S)C1 Amb28195132 [0,0,0,1,0,1|1,1,0]=4 3124 B11R1.23 COC(=O)C1CCOC(=O)N1 Amb25044321 [0,0,0,1,0,1|1,0,0]=3 3125 B11R1.23 COC(=O)C1CNCC(=O)N1 Amb18126111 [0,0,0,1,0,1|1,0,0]=3 3126 B11R1.23 COC(=O)C1CNCC(C)O1 Amb24761259 [0,0,0,1,0,1|1,0,1]=4 3127 B11R1.23 COC(=O)C1CNCC(C)O1 Amb32652650 [0,0,0,1,0,1|1,0,1]=4 3128 B11R1.23 COC(=O)C1CNCC(O)C1 Amb13885763 [0,0,0,1,0,1|1,0,1]=4 3129 B11R1.23 COC(=O)C1CNCC(O)C1 Amb17739877 [0,0,0,1,0,1|1,0,1]=4 3130 B11R1.23 COC(=O)C1CNC[C@@H](C)O1 Amb25684325 [0,0,0,1,0,1|1,0,1]=4 3131 B11R1.23 COC(=O)C1CNC[C@@H](C)O1 Amb32652686 [0,0,0,1,0,1|1,0,1]=4 3132 B11R1.23 COC(=O)C1CNNC(=O)C1 Amb2437236 [0,0,0,1,0,1|2,0,0]=4 3133 B11R1.23 COC(=O)C1COCC(=O)C1 Amb25086714 [0,0,0,1,0,1|1,0,0]=3 3134 B11R1.23 COC(=O)C1COCC(=O)N1 Amb24118077 [0,0,0,1,0,1|1,0,0]=3 3135 B11R1.23 COC(=O)C1COCC(O)C1 Amb27408385 [0,0,0,1,0,1|1,0,1]=4 3136 B11R1.23 COC(=O)C1CS(=O)CCN1 Amb26035292 [0,0,0,1,0,1|2,0,0]=4 3137 B11R1.23 COC(=O)N1CCCC(=O)C1 Amb22490336 [0,0,0,1,0,1|1,0,0]=3 3138 B11R1.23 COC(=O)N1CCCC(O)C1 Amb9173673 [0,0,0,1,0,1|1,0,1]=4 3139 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 Amb13889085 [0,0,0,1,0,1|1,0,0]=3 3140 B11R1.23 COC(=O)[C@@H]1CC(=O)CCO1 Amb25794184 [0,0,0,1,0,1|1,0,0]=3 3141 B11R1.23 COC(=O)[C@@H]1CC=CC(=O)N1 Amb25734856 [0,0,0,1,0,1|1,0,1]=4 3142 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 Amb24486283 [0,0,0,1,0,1|1,0,0]=3 3143 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 Amb25375349 [0,0,0,1,0,1|1,0,0]=3 3144 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](O)C1 Amb22899456 [0,0,0,1,0,1|1,0,1]=4 3145 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 Amb27844007 [0,0,0,1,0,1|1,0,1]=4 3146 B11R1.23 COC(=O)[C@@H]1CCOC(=O)N1 Amb25785572 [0,0,0,1,0,1|1,0,0]=3 3147 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 Amb25759494 [0,0,0,1,0,1|1,0,0]=3 3148 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](C)O1 Amb32668808 [0,0,0,1,0,1|1,0,1]=4 3149 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](C)O1 Amb32668809 [0,0,0,1,0,1|1,0,1]=4 3150 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O)C1 Amb33620324 [0,0,0,1,0,1|1,0,1]=4 3151 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O)C1 Amb33738361 [0,0,0,1,0,1|1,0,1]=4 3152 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)O1 Amb34914989 [0,0,0,1,0,1|1,0,1]=4 3153 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)O1 Amb35745789 [0,0,0,1,0,1|1,0,1]=4 3154 B11R1.23 COC(=O)[C@@H]1COC[C@H](O)C1 Amb27974537 [0,0,0,1,0,1|1,0,1]=4 3155 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 Amb22748265 [0,0,0,1,0,1|1,0,1]=4 3156 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 Amb30628604 [0,0,0,1,0,1|1,0,1]=4 3157 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 Amb10606654 [0,0,0,1,0,1|1,0,1]=4 3158 B11R1.23 COC(=O)[C@H]1CC=CC(=O)N1 Amb26419606 [0,0,0,1,0,1|1,0,1]=4 3159 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 Amb25084961 [0,0,0,1,0,1|1,0,0]=3 3160 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 Amb27862528 [0,0,0,1,0,1|1,0,0]=3 3161 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 Amb25198846 [0,0,0,1,0,1|1,0,1]=4 3162 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 Amb25225913 [0,0,0,1,0,1|1,0,1]=4 3163 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 Amb26632942 [0,0,0,1,0,1|1,0,0]=3 3164 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)O1 Amb24555590 [0,0,0,1,0,1|1,0,1]=4 3165 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)O1 Amb32652224 [0,0,0,1,0,1|1,0,1]=4 3166 B11R1.23 COC(=O)[C@H]1CSCC(=O)N1 Amb27879944 [0,0,0,1,0,1|1,0,0]=3 3167 B11R1.23 COC(=O)[C@H]1C[C@@H](O)CCN1 Amb26573656 [0,0,0,1,0,1|1,0,1]=4 3168 B11R1.39 C=C1CCN(CC(=O)OC)C1 Amb30028138 [0,0,0,1,0,1|2,0,0]=4 3169 B11R1.39 CNC(=O)CC1COC(=O)C1 Amb28064615 [0,0,0,1,0,1|2,0,0]=4 3170 B11R1.39 COC(=N)CC1CNC(=O)O1 Amb27768558 [0,0,0,1,0,1|1,0,0]=3 3171 B11R1.39 COC(=O)CC1=NC(=O)CS1 Amb585521 [0,0,0,1,0,1|1,0,1]=4 3172 B11R1.39 COC(=O)CC1C=CC(=O)C1 Amb28351402 [0,0,0,1,0,1|1,0,1]=4 3173 B11R1.39 COC(=O)CC1CC(O)CS1 Amb27448818 [0,0,0,1,0,1|1,0,1]=4 3174 B11R1.39 COC(=O)CC1CCC(=O)C1 Amb21962984 [0,0,0,1,0,1|1,0,0]=3 3175 B11R1.39 COC(=O)CC1CCC(O)C1 Amb26009531 [0,0,0,1,0,1|1,0,1]=4 3176 B11R1.39 COC(=O)CC1CCC(O)O1 Amb27652891 [0,0,0,1,0,1|0,0,2]=4 3177 B11R1.39 COC(=O)CC1CNC(=O)C1 Amb23453157 [0,0,0,1,0,1|1,0,0]=3 3178 B11R1.39 COC(=O)CC1COC(=O)N1 Amb27184103 [0,0,0,1,0,1|1,0,0]=3 3179 B11R1.39 COC(=O)CC1CSC(N)=N1 Amb4479368 [0,0,0,1,0,1|2,0,0]=4 3180 B11R1.39 COC(=O)CN1CCC(O)C1 Amb18177629 [0,0,0,1,0,1|1,0,1]=4 3181 B11R1.39 COC(=O)CN1CC[C@@H](O)C1 Amb27782944 [0,0,0,1,0,1|1,0,1]=4 3182 B11R1.39 COC(=O)CN1CC[C@H](O)C1 Amb27875017 [0,0,0,1,0,1|1,0,1]=4 3183 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 Amb25922870 [0,0,0,1,0,1|1,0,0]=3 3184 B11R1.39 COC(=O)C[C@@H]1CC[C@@H](O)C1 Amb26957023 [0,0,0,1,0,1|1,0,1]=4 3185 B11R1.39 COC(=O)C[C@@H]1CC[C@H](O)C1 Amb25054455 [0,0,0,1,0,1|1,0,1]=4 3186 B11R1.39 COC(=O)C[C@@H]1CNC(=O)N1 Amb28046451 [0,0,0,1,0,1|1,0,0]=3 3187 B11R1.39 COC(=O)C[C@@H]1C[C@@H](O)CN1 Amb27626754 [0,0,0,1,0,1|1,0,1]=4 3188 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 Amb26494429 [0,0,0,1,0,1|1,0,0]=3 3189 B11R1.39 COC(=O)C[C@H]1C[C@H](O)CS1 Amb27451551 [0,0,0,1,0,1|1,0,1]=4 3190 B11R1.39 COC(=O)NC1CCC(O)C1 Amb27832474 [0,0,0,1,0,1|1,0,1]=4 3191 B11R1.39 COC(=O)NC1CNC(=O)C1 Amb27425284 [0,0,0,1,0,1|2,0,0]=4 3192 B11R1.39 COC(=O)\C=C1\CCC(=O)N1 Amb27483108 [0,0,0,1,0,1|1,0,1]=4 3193 B11R1.43 COC1CNC(CC(=O)O)C1 Amb25149435 [0,0,0,1,0,1|1,0,1]=4 3194 B11R1.43 CO[C@@H]1CCN(CC(=O)O)C1 Amb27660698 [0,0,0,1,0,1|1,0,1]=4 3195 B11R1.43 CO[C@@H]1CCN(CC(=O)O)C1 Amb27982842 [0,0,0,1,0,1|1,0,1]=4 3196 B11R1.43 CO[C@@H]1CN[C@H](CC(=O)O)C1 Amb27818160 [0,0,0,1,0,1|1,0,1]=4 3197 B11R1.43 CO[C@H]1CNC(CC(=O)O)C1 Amb32990264 [0,0,0,1,0,1|1,0,1]=4 3198 B11R1.75 C=C1CCN(CCC(=O)O)C1 Amb30028136 [0,0,0,1,0,1|2,0,0]=4 3199 B11R1.75 CC(=O)CCC1CCC(=O)C1 Amb25984891 [0,0,0,1,0,1|2,0,0]=4 3200 B11R1.75 CC(=O)CCC1CCC(=O)N1 Amb27438091 [0,0,0,1,0,1|2,0,0]=4 3201 B11R1.75 CC(=O)CCC1CCC(=O)O1 Amb27750716 [0,0,0,1,0,1|2,0,0]=4 3202 B11R1.75 CC(=O)CSC1COC(=O)O1 Amb27840334 [0,0,0,1,0,1|2,0,0]=4 3203 B11R1.75 CC(=O)OCC1CCC(=O)C1 Amb25821465 [0,0,0,1,0,1|2,0,0]=4 3204 B11R1.75 CC(=O)OCC1CNC(=O)C1 Amb28436007 [0,0,0,1,0,1|2,0,0]=4 3205 B11R1.75 CC(=O)OCC1COC(=O)N1 Amb27411851 [0,0,0,1,0,1|2,0,0]=4 3206 B11R1.75 CC(=O)OC[C@@H]1CCC(=O)C1 Amb27749663 [0,0,0,1,0,1|2,0,0]=4 3207 B11R1.75 CC1CC(NCC(=O)O)CO1 Amb35728621 [0,0,0,1,0,1|1,0,1]=4 3208 B11R1.75 NC(=O)NCC1CNC(=O)C1 Amb27881825 [0,0,0,1,0,1|2,0,0]=4 3209 B11R1.75 NC(=O)OCC1COC(=O)O1 Amb28121041 [0,0,0,1,0,1|2,0,0]=4 3210 B11R1.75 O=C(O)CCC1=NNC(=O)C1 Amb18200284 [0,0,0,1,0,1|2,0,0]=4 3211 B11R1.75 O=C(O)CCC1=NOC(=O)C1 Amb27209293 [0,0,0,1,0,1|1,0,0]=3 3212 B11R1.75 O=C(O)CCC1CCC(=O)N1 Amb551261 [0,0,0,1,0,1|1,0,0]=3 3213 B11R1.75 O=C(O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|1,0,0]=3 3214 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [0,0,0,1,0,1|1,0,0]=3 3215 B11R1.75 O=C(O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|0,0,0]=2 3216 B11R1.75 O=C(O)CCC1NC(=O)CS1 Amb27758647 [0,0,0,1,0,1|2,0,0]=4 3217 B11R1.75 O=C(O)CCN1CC(=O)ON1 Amb27865614 [0,0,0,1,0,1|1,0,0]=3 3218 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 Amb27622656 [0,0,0,1,0,1|1,0,0]=3 3219 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 Amb27627802 [0,0,0,1,0,1|1,0,0]=3 3220 B11R1.75 O=C(O)CC[C@H]1COC(=O)C1 Amb28123271 [0,0,0,1,0,1|0,0,0]=2 3221 B11R1.75 O=C(O)CNC1CNC(=O)C1 Amb26879759 [0,0,0,1,0,1|1,0,0]=3 3222 B11R1.75 O=C(O)CSC1CCC(=O)N1 Amb2428430 [0,0,0,1,0,1|2,0,0]=4 3223 B11R1.75 O=C([O-])CNC1CNC(=O)C1 Amb33457267 [0,0,0,1,0,1|1,0,1]=4 3224 B11R1.145 O=C1CCCOC(=O)CCC1 Amb28074815 [0,0,0,1,0,1|2,0,0]=4 3225 B11R1.147 O=C(O)CCC1CC(=O)N1O Amb27176442 [0,0,0,1,0,1|2,0,0]=4 3226 B11R1.147 O=C(O)CC[C@@H]1CC(=O)N1O Amb28385712 [0,0,0,1,0,1|2,0,0]=4 3227 B11R1.159 CC(=O)[C@H]1CCCC(=O)[C@@H]1C Amb28194631 [0,0,0,1,0,1|2,0,0]=4 3228 B11R1.159 CC1=C(C(=O)O)CCCC1=O Amb18125678 [0,0,0,1,0,1|1,0,0]=3 3229 B11R1.159 CC1=CCCC(C(=O)O)C1C Amb27864075 [0,0,0,1,0,1|2,0,0]=4 3230 B11R1.159 CC1C(=O)CCCC1C(N)=O Amb25231274 [0,0,0,1,0,1|2,0,0]=4 3231 B11R1.159 CN1C(=O)CCCC1C(=O)O Amb18830654 [0,0,0,1,0,1|1,0,0]=3 3232 B11R1.159 CN1C(=O)COCC1C(=O)O Amb27969427 [0,0,0,1,0,1|1,0,0]=3 3233 B11R1.159 C[C@@H]1C(=O)CCC[C@H]1C(N)=O Amb28321944 [0,0,0,1,0,1|2,0,0]=4 3234 B11R1.159 O=C1NCCC(C(=O)O)C1O Amb25145722 [0,0,0,1,0,1|2,0,0]=4 3235 B11R1.224 COC(=O)CCC1CC(=O)C1 Amb27672904 [0,0,0,1,0,1|1,0,0]=3 3236 B11R1.224 COC(=O)CNC1CC(O)C1 Amb32410255 [0,0,0,1,0,1|1,0,1]=4 3237 B11R1.224 COC(=O)NCC1CC(O)C1 Amb28077998 [0,0,0,1,0,1|1,0,1]=4 3238 B11R1.227 COC(=O)C1CCCS1(=O)=O Amb35723019 [0,0,0,1,0,1|1,0,1]=4 3239 B11R1.262 COC1CC(CCC(=O)O)C1 Amb33802500 [0,0,0,1,0,1|1,0,1]=4 3240 B11R1.262 COC1CC(NCC(=O)O)C1 Amb27986578 [0,0,0,1,0,1|1,0,1]=4 3241 B11R1.266 COC1=CCCC(C(=O)O)C1 Amb28244804 [0,0,0,1,0,1|1,0,0]=3 3242 B11R1.266 COC1=NCCC(C(=O)O)C1 Amb32668294 [0,0,0,1,0,1|1,0,0]=3 3243 B11R1.266 COC1CCCC(C(=O)O)C1 Amb3939936 [0,0,0,1,0,1|1,0,1]=4 3244 B11R1.266 COC1CCCC(C(=O)O)O1 Amb27483979 [0,0,0,1,0,1|0,0,2]=4 3245 B11R1.266 COC1CNCC(C(=O)O)C1 Amb28050836 [0,0,0,1,0,1|1,0,1]=4 3246 B11R1.266 CO[C@H]1CCC[C@@H](C(=O)O)C1 Amb28411305 [0,0,0,1,0,1|1,0,1]=4 3247 B11R1.266 CO[C@H]1CCN[C@@H](C(=O)O)C1 Amb27984982 [0,0,0,1,0,1|1,0,1]=4 3248 B11R1.313 C=C1C(=O)CCC1CC(=O)O Amb25700924 [0,0,0,1,0,1|1,0,1]=4 3249 B11R1.313 CC(=O)C[C@@H]1CCC(=O)[C@H]1C Amb26024208 [0,0,0,1,0,1|2,0,0]=4 3250 B11R1.313 CC(=O)C[C@H]1CCC(=O)[C@H]1C Amb27212451 [0,0,0,1,0,1|2,0,0]=4 3251 B11R1.313 CC1=C(CC(=O)O)CCC1=O Amb27791857 [0,0,0,1,0,1|1,0,0]=3 3252 B11R1.313 CC1C(=O)CCC1CC(=O)O Amb18125960 [0,0,0,1,0,1|1,0,0]=3 3253 B11R1.313 CN1C(=O)CCC1CC(=O)O Amb6316139 [0,0,0,1,0,1|1,0,0]=3 3254 B11R1.313 CN1C(=O)CC[C@@H]1CC(=O)O Amb27658937 [0,0,0,1,0,1|1,0,0]=3 3255 B11R1.313 C[C@@H]1C(=O)CC[C@H]1CC(=O)O Amb28385685 [0,0,0,1,0,1|1,0,0]=3 3256 B11R1.565 CC(=O)N1CCCC(=O)CC1 Amb13783681 [0,0,0,1,0,1|2,0,0]=4 3257 B11R1.565 NC(=O)C1CCCC(=O)NC1 Amb27963105 [0,0,0,1,0,1|2,0,0]=4 3258 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [0,0,0,1,0,1|1,0,0]=3 3259 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [0,0,0,1,0,1|1,0,0]=3 3260 B11R1.565 O=C1CCC(C(=O)O)CNN1 Amb27427640 [0,0,0,1,0,1|2,0,0]=4 3261 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [0,0,0,1,0,1|1,0,0]=3 3262 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [0,0,0,1,0,1|1,0,0]=3 3263 B11R1.849 CNC(=O)[C@@H]1C[C@@H]1NC(C)=O Amb28127574 [0,0,0,1,0,1|2,0,0]=4 3264 B11R1.849 COC(=O)C1CC1CC(=O)O Amb26081648 [0,0,0,1,0,1|0,0,0]=2 3265 B11R1.849 COC(=O)C1CC1NC(C)=O Amb27782147 [0,0,0,1,0,1|1,0,0]=3 3266 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(=O)Cl Amb32721008 [0,0,0,1,0,1|2,0,0]=4 3267 B11R1.849 COC(=O)[C@@H]1C[C@@H]1CS(N)=O Amb32721009 [0,0,0,1,0,1|2,0,0]=4 3268 B11R1.849 COC(=O)[C@@H]1C[C@@H]1OC(C)=O Amb25383234 [0,0,0,1,0,1|1,0,0]=3 3269 B11R1.849 COC(=O)[C@@H]1C[C@H]1CC(=O)O Amb26660739 [0,0,0,1,0,1|0,0,0]=2 3270 B11R1.857 COC(=O)CN1CCS1(=O)=O Amb27785596 [0,0,0,1,0,1|1,0,1]=4 3271 B11R1.870 C#CC(=O)N1CCC1C(=O)O Amb27771057 [0,0,0,1,0,1|1,0,1]=4 3272 B11R1.870 C=C(C)C1CCC1C(=O)OC Amb25366544 [0,0,0,1,0,1|2,0,0]=4 3273 B11R1.870 C=CC(=O)N1CCC1C(=O)O Amb27442509 [0,0,0,1,0,1|1,0,1]=4 3274 B11R1.870 CCC(=O)N1CCC1C(N)=O Amb33251170 [0,0,0,1,0,1|2,0,0]=4 3275 B11R1.870 CNC(=O)C1=C(C(=O)O)CC1 Amb27781546 [0,0,0,1,0,1|1,0,1]=4 3276 B11R1.870 CNC(=O)C1CCC1C(=O)O Amb27447635 [0,0,0,1,0,1|1,0,0]=3 3277 B11R1.870 CNC(=O)N1CCC1C(N)=O Amb33251996 [0,0,0,1,0,1|2,0,0]=4 3278 B11R1.870 COC(=O)C1C=CC1C(=O)Cl Amb27945674 [0,0,0,1,0,1|1,0,1]=4 3279 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [0,0,0,1,0,1|0,0,1]=3 3280 B11R1.870 COC(=O)C1CCC1C(=O)O Amb25844392 [0,0,0,1,0,1|0,0,0]=2 3281 B11R1.870 COC(=O)C1CCN1C(=O)Cl Amb25351297 [0,0,0,1,0,1|1,0,0]=3 3282 B11R1.870 COC(=O)N1CCC1C(=O)O Amb25690182 [0,0,0,1,0,1|0,0,0]=2 3283 B11R1.870 COC(=O)N1CCC1C(N)=O Amb33251997 [0,0,0,1,0,1|1,0,0]=3 3284 B11R1.870 COC(=O)N1CC[C@H]1C(=O)O Amb26481329 [0,0,0,1,0,1|0,0,0]=2 3285 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [0,0,0,1,0,1|0,0,1]=3 3286 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [0,0,0,1,0,1|0,0,1]=3 3287 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb23439085 [0,0,0,1,0,1|0,0,0]=2 3288 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(=O)Cl Amb32720832 [0,0,0,1,0,1|2,0,0]=4 3289 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(=O)[O-] Amb32755610 [0,0,0,1,0,1|1,0,1]=4 3290 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1S(N)=O Amb32720833 [0,0,0,1,0,1|2,0,0]=4 3291 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O Amb26948041 [0,0,0,1,0,1|0,0,0]=2 3292 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [0,0,0,1,0,1|0,0,1]=3 3293 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28247482 [0,0,0,1,0,1|0,0,0]=2 3294 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O Amb28138440 [0,0,0,1,0,1|0,0,0]=2 3295 B11R1.870 CON(C)C1CCC1C(=O)O Amb35673335 [0,0,0,1,0,1|2,0,0]=4 3296 B11R1.870 O=C(O)C1CCN1C(=O)CCl Amb28240357 [0,0,0,1,0,1|2,0,0]=4 3297 B11R1.870 O=C(O)[C@@H]1CCN1C(=O)CCl Amb26888776 [0,0,0,1,0,1|2,0,0]=4 3298 B11R1.870 O=C(O)[C@@H]1CCN1C(=O)CS Amb27632740 [0,0,0,1,0,1|2,0,0]=4 3299 B11R1.892 COC(=O)C[C@@H]1C[C@H]1C(C)=O Amb28080099 [0,0,0,1,0,1|1,0,0]=3 3300 B11R1.892 COC(=O)C[C@H]1C[C@H]1C(C)=O Amb28080101 [0,0,0,1,0,1|1,0,0]=3 3301 B11R1.15 CCNC(=O)C1CCC(=O)N1 Amb27176321 [0,1,0,1,0,0|2,0,0]=4 3302 B11R1.15 CCNC(=O)C1CCC(=O)O1 Amb27456317 [0,1,0,1,0,0|1,0,0]=3 3303 B11R1.15 CCOC(=O)C1CCC(=O)C1 Amb2699967 [0,1,0,1,0,0|1,0,0]=3 3304 B11R1.15 CCOC(=O)C1CCC(=O)N1 Amb2137255 [0,1,0,1,0,0|1,0,0]=3 3305 B11R1.15 CCOC(=O)C1CCC(=O)O1 Amb27827981 [0,1,0,1,0,0|0,0,0]=2 3306 B11R1.15 CCOC(=O)C1CCC(=S)N1 Amb25774356 [0,1,0,1,0,0|1,1,0]=4 3307 B11R1.15 CCOC(=O)C1CCC(Cl)O1 Amb27484108 [0,1,0,1,0,0|1,0,1]=4 3308 B11R1.15 CCOC(=O)C1CCC(O)C1 Amb22754536 [0,1,0,1,0,0|1,0,1]=4 3309 B11R1.15 CCOC(=O)C1CNC(=O)C1 Amb20075873 [0,1,0,1,0,0|2,0,0]=4 3310 B11R1.15 CCOC(=O)C1COC(=O)C1 Amb20669139 [0,1,0,1,0,0|2,0,0]=4 3311 B11R1.15 CCOC(=O)N1CCC(=O)C1 Amb2687716 [0,1,0,1,0,0|2,0,0]=4 3312 B11R1.15 CCOC(=O)N1CCC(=O)N1 Amb24565619 [0,1,0,1,0,0|2,0,0]=4 3313 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 Amb2613478 [0,1,0,1,0,0|1,0,0]=3 3314 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)O1 Amb22226711 [0,1,0,1,0,0|0,0,0]=2 3315 B11R1.15 CCOC(=O)[C@@H]1CCC(=S)N1 Amb26870562 [0,1,0,1,0,0|1,1,0]=4 3316 B11R1.15 CCOC(=O)[C@@H]1CCC(O)N1 Amb27945675 [0,1,0,1,0,0|1,0,1]=4 3317 B11R1.15 CCOC(=O)[C@@H]1CCC(O)O1 Amb27425160 [0,1,0,1,0,0|0,0,2]=4 3318 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](O)O1 Amb24613347 [0,1,0,1,0,0|0,0,2]=4 3319 B11R1.15 CCOC(=O)[C@@H]1COC(=O)N1 Amb19929335 [0,1,0,1,0,0|2,0,0]=4 3320 B11R1.15 CCOC(=O)[C@@H]1CSC(=O)N1 Amb6358121 [0,1,0,1,0,0|2,0,0]=4 3321 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 Amb26936549 [0,1,0,1,0,0|1,0,0]=3 3322 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 Amb6356197 [0,1,0,1,0,0|1,0,0]=3 3323 B11R1.15 CCOC(=O)[C@H]1CCC(=O)O1 Amb8396250 [0,1,0,1,0,0|0,0,0]=2 3324 B11R1.15 CCOC(=O)[C@H]1CNC(=O)C1 Amb27791997 [0,1,0,1,0,0|2,0,0]=4 3325 B11R1.15 CCOC(=O)[C@H]1CSC(=O)N1 Amb28135391 [0,1,0,1,0,0|2,0,0]=4 3326 B11R1.15 CCSC(=O)[C@@H]1CCC(=O)N1 Amb25275281 [0,1,0,1,0,0|1,1,0]=4 3327 B11R1.15 COCC(=O)C1CCC(C)O1 Amb27952213 [0,1,0,1,0,0|1,0,1]=4 3328 B11R1.15 COCC(=O)N1CCC(=O)N1 Amb32721859 [0,1,0,1,0,0|2,0,0]=4 3329 B11R1.15 CONC(=O)C1CCC(=O)O1 Amb28125388 [0,1,0,1,0,0|0,0,0]=2 3330 B11R1.15 CONC(=O)C1CCC(C)O1 Amb27753536 [0,1,0,1,0,0|1,0,1]=4 3331 B11R1.15 CONC(=O)C1CCC(O)C1 Amb27598308 [0,1,0,1,0,0|1,0,1]=4 3332 B11R1.15 CONC(=O)C1CNC(=O)C1 Amb27247181 [0,1,0,1,0,0|2,0,0]=4 3333 B11R1.15 CONC(=O)C1CNC(=O)N1 Amb27425272 [0,1,0,1,0,0|2,0,0]=4 3334 B11R1.15 CONC(=O)[C@@H]1CCC(=O)N1 Amb27607214 [0,1,0,1,0,0|1,0,0]=3 3335 B11R1.15 CONC(=O)[C@H]1CCC(=O)N1 Amb27265499 [0,1,0,1,0,0|1,0,0]=3 3336 B11R1.15 O=C1CCC(C(=O)OCCl)N1 Amb24371305 [0,1,0,1,0,0|1,0,0]=3 3337 B11R1.15 O=C1CC[C@@H](C(=O)OCCl)N1 Amb24450211 [0,1,0,1,0,0|1,0,0]=3 3338 B11R1.62 CC[C@@H]1C(=O)N[C@H]1CC(=O)O Amb27439855 [0,1,0,1,0,0|2,0,0]=4 3339 B11R1.62 CC[C@H]1C(=O)N[C@@H]1CC(=O)O Amb27776770 [0,1,0,1,0,0|2,0,0]=4 3340 B11R1.64 C=CN1C(=O)CC[C@H]1C(=O)O Amb24456799 [0,1,0,1,0,0|1,0,1]=4 3341 B11R1.64 CCC1C(=O)CC[C@H]1C(=O)O Amb27865586 [0,1,0,1,0,0|1,0,0]=3 3342 B11R1.64 CCN1C(=O)CCC1C(=O)O Amb18288294 [0,1,0,1,0,0|1,0,0]=3 3343 B11R1.64 CCN1C(=O)CC[C@H]1C(=O)O Amb25108137 [0,1,0,1,0,0|1,0,0]=3 3344 B11R1.64 CCN1C(=O)OCC1C(=O)O Amb26636760 [0,1,0,1,0,0|2,0,0]=4 3345 B11R1.64 CCN1C(=O)OC[C@@H]1C(=O)O Amb26888777 [0,1,0,1,0,0|2,0,0]=4 3346 B11R1.64 CC[C@@H]1C(=O)CC[C@H]1C(=O)O Amb27233378 [0,1,0,1,0,0|1,0,0]=3 3347 B11R1.64 CC[C@@H]1C(=O)NC[C@H]1C(=O)O Amb28319505 [0,1,0,1,0,0|2,0,0]=4 3348 B11R1.64 CC[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18830650 [0,1,0,1,0,0|2,0,0]=4 3349 B11R1.64 CC[C@H]1C(=O)OC[C@H]1C(=O)O Amb27639476 [0,1,0,1,0,0|2,0,0]=4 3350 B11R1.64 CON1C(=O)CCC1C(C)O Amb28077942 [0,1,0,1,0,0|1,0,1]=4 3351 B11R1.64 NCC1C(=O)CCC1C(=O)O Amb27495236 [0,1,0,1,0,0|1,0,0]=3 3352 B11R1.64 O=C(O)C1CCC(=O)C1CCl Amb28396682 [0,1,0,1,0,0|1,0,0]=3 3353 B11R1.90 C=C(C)CCC1COCC1=O Amb35639035 [0,1,0,1,0,0|2,0,0]=4 3354 B11R1.90 CC(=O)CCC1CCNC1=O Amb18200449 [0,1,0,1,0,0|2,0,0]=4 3355 B11R1.90 CC(=O)CCN1CCOC1=O Amb8388287 [0,1,0,1,0,0|2,0,0]=4 3356 B11R1.90 CC(=O)CSC1CCOC1=O Amb27840333 [0,1,0,1,0,0|2,0,0]=4 3357 B11R1.90 CC1OCCC1CCC(=O)O Amb33427953 [0,1,0,1,0,0|1,0,1]=4 3358 B11R1.90 NC(=O)CCN1CCOC1=O Amb18787749 [0,1,0,1,0,0|2,0,0]=4 3359 B11R1.90 NC(=O)CC[C@@H]1NCOC1=O Amb28255565 [0,1,0,1,0,0|1,0,0]=3 3360 B11R1.90 NC(=O)CN[C@H]1CCOC1=O Amb27946688 [0,1,0,1,0,0|2,0,0]=4 3361 B11R1.90 NS(=O)CCC1CCOC1=O Amb32720769 [0,1,0,1,0,0|2,0,0]=4 3362 B11R1.90 O=C(O)CCC1=CCOC1=O Amb27596612 [0,1,0,1,0,0|0,0,1]=3 3363 B11R1.90 O=C(O)CCC1=CONC1=O Amb27637001 [0,1,0,1,0,0|0,0,2]=4 3364 B11R1.90 O=C(O)CCC1C=NNC1=O Amb27966307 [0,1,0,1,0,0|1,0,1]=4 3365 B11R1.90 O=C(O)CCC1C=NOC1=O Amb27438724 [0,1,0,1,0,0|0,0,1]=3 3366 B11R1.90 O=C(O)CCC1CCCC1=O Amb17400002 [0,1,0,1,0,0|1,0,0]=3 3367 B11R1.90 O=C(O)CCC1CCOC1=O Amb10669454 [0,1,0,1,0,0|0,0,0]=2 3368 B11R1.90 O=C(O)CCC1CCSC1=O Amb27233557 [0,1,0,1,0,0|0,1,0]=3 3369 B11R1.90 O=C(O)CCC1N=CNC1=O Amb25028108 [0,1,0,1,0,0|1,0,1]=4 3370 B11R1.90 O=C(O)CCN1CCCC1=O Amb1138316 [0,1,0,1,0,0|2,0,0]=4 3371 B11R1.90 O=C(O)CCN1CCNC1=O Amb19002909 [0,1,0,1,0,0|2,0,0]=4 3372 B11R1.90 O=C(O)CCN1CCOC1=O Amb6673441 [0,1,0,1,0,0|1,0,0]=3 3373 B11R1.90 O=C(O)CCN1CCSC1=O Amb1106160 [0,1,0,1,0,0|1,1,0]=4 3374 B11R1.90 O=C(O)CNC1CCNC1=O Amb35694004 [0,1,0,1,0,0|2,0,0]=4 3375 B11R1.90 O=C(O)CSC1CCOC1=O Amb33535328 [0,1,0,1,0,0|1,0,0]=3 3376 B11R1.90 O=C1OCCC1CCS(=O)Cl Amb32720768 [0,1,0,1,0,0|2,0,0]=4 3377 B11R1.90 O=C1OCCC1CCS(=O)[O-] Amb32754913 [0,1,0,1,0,0|1,0,1]=4 3378 B11R1.120 CCOC1CC(CC(=O)O)C1 Amb26997305 [0,1,0,1,0,0|1,0,1]=4 3379 B11R1.124 CCOC1=NC(C(=O)O)CC1 Amb27168038 [0,1,0,1,0,0|1,0,0]=3 3380 B11R1.124 COCC1=N[C@@H](C(=O)O)CS1 Amb35637184 [0,1,0,1,0,0|2,0,0]=4 3381 B11R1.124 COCC1=N[C@H](C(=O)O)CS1 Amb35648208 [0,1,0,1,0,0|2,0,0]=4 3382 B11R1.124 COCC1CCC(C(=O)O)C1 Amb25780193 [0,1,0,1,0,0|1,0,1]=4 3383 B11R1.124 COCC1CCC(C(=O)O)N1 Amb24441382 [0,1,0,1,0,0|1,0,1]=4 3384 B11R1.124 COCC1CCC(C(=O)O)O1 Amb18988012 [0,1,0,1,0,0|0,0,2]=4 3385 B11R1.124 COC[C@@H]1CC[C@@H](C(=O)O)N1 Amb24547011 [0,1,0,1,0,0|1,0,1]=4 3386 B11R1.124 COC[C@@H]1CC[C@H](C(=O)O)C1 Amb27768044 [0,1,0,1,0,0|1,0,1]=4 3387 B11R1.124 COC[C@@H]1CC[C@H](C(=O)O)N1 Amb25919696 [0,1,0,1,0,0|1,0,1]=4 3388 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)C1 Amb27781461 [0,1,0,1,0,0|1,0,1]=4 3389 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)N1 Amb25369771 [0,1,0,1,0,0|1,0,1]=4 3390 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)O1 Amb27217029 [0,1,0,1,0,0|0,0,2]=4 3391 B11R1.124 CO\N=C1/CCC(C(=O)O)C1 Amb28207180 [0,1,0,1,0,0|1,0,0]=3 3392 B11R1.157 CC(=O)CC1CC=CC(=O)C1 Amb27785422 [0,1,0,1,0,0|2,0,0]=4 3393 B11R1.157 CC(=O)CN1CCOC(=O)C1 Amb27866493 [0,1,0,1,0,0|2,0,0]=4 3394 B11R1.157 CC1CC(CC(=O)O)CCO1 Amb27865036 [0,1,0,1,0,0|1,0,1]=4 3395 B11R1.157 O=C(O)CC1CCCC(=O)C1 Amb8487121 [0,1,0,1,0,0|1,0,0]=3 3396 B11R1.157 O=C(O)CC1CCCC(=O)N1 Amb18200018 [0,1,0,1,0,0|2,0,0]=4 3397 B11R1.157 O=C(O)CC1CCNC(=O)C1 Amb18200020 [0,1,0,1,0,0|1,0,0]=3 3398 B11R1.157 O=C(O)CC1CNCC(=O)N1 Amb25800398 [0,1,0,1,0,0|2,0,0]=4 3399 B11R1.157 O=C(O)CN1CCCC(=O)C1 Amb18200026 [0,1,0,1,0,0|2,0,0]=4 3400 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb2235553 [0,1,0,1,0,0|2,0,0]=4 3401 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb32668970 [0,1,0,1,0,0|2,0,0]=4 3402 B11R1.157 O=C(O)CN1CCOC(=O)C1 Amb1093951 [0,1,0,1,0,0|1,0,0]=3 3403 B11R1.157 O=C(O)CN1CCOC(=O)S1 Amb28124198 [0,1,0,1,0,0|2,0,0]=4 3404 B11R1.157 O=C(O)C[C@@H]1CCCC(=O)N1 Amb27397390 [0,1,0,1,0,0|2,0,0]=4 3405 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 Amb28289879 [0,1,0,1,0,0|1,0,0]=3 3406 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 Amb27983727 [0,1,0,1,0,0|2,0,0]=4 3407 B11R1.166 C=C1CC[C@@H](C(=O)O)[C@@H](N)C1 Amb28056027 [0,1,0,1,0,0|2,0,0]=4 3408 B11R1.166 CC(=O)C1CCC(=O)C=C1C Amb28194490 [0,1,0,1,0,0|2,0,0]=4 3409 B11R1.166 CC(=O)C1CCC(=O)NC1C Amb27848310 [0,1,0,1,0,0|2,0,0]=4 3410 B11R1.166 CC(=O)[C@@H]1CCC(=O)C[C@@H]1C Amb24571662 [0,1,0,1,0,0|2,0,0]=4 3411 B11R1.166 CC(=O)[C@H]1CCC(=O)C[C@H]1C Amb26032690 [0,1,0,1,0,0|2,0,0]=4 3412 B11R1.166 CC1=C(C(=O)O)CCC(=O)N1 Amb25087837 [0,1,0,1,0,0|1,0,1]=4 3413 B11R1.166 CC1=CC(=O)CCC1C(=O)O Amb25189150 [0,1,0,1,0,0|1,0,0]=3 3414 B11R1.166 CC1=CC(O)C(C(=O)O)CC1 Amb28285405 [0,1,0,1,0,0|2,0,0]=4 3415 B11R1.166 CC1=CCC(C(=O)O)C(C)C1 Amb18125766 [0,1,0,1,0,0|2,0,0]=4 3416 B11R1.166 CC1=CCC(C(=O)O)[C@@H](C)C1 Amb27233603 [0,1,0,1,0,0|2,0,0]=4 3417 B11R1.166 CC1=CCC(C(=O)O)[C@H](C)C1 Amb27808251 [0,1,0,1,0,0|2,0,0]=4 3418 B11R1.166 CC1=CC[C@@H](C(=O)O)[C@H](C)C1 Amb25697299 [0,1,0,1,0,0|2,0,0]=4 3419 B11R1.166 CC1=CC[C@H](C(=O)O)[C@@H](C)C1 Amb24601788 [0,1,0,1,0,0|2,0,0]=4 3420 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,1,0,1,0,0|1,0,0]=3 3421 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,1,0,1,0,0|1,0,0]=3 3422 B11R1.166 CC1NC(=O)CCC1C(N)=O Amb27186417 [0,1,0,1,0,0|2,0,0]=4 3423 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,1,0,1,0,0|1,0,0]=3 3424 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,1,0,1,0,0|1,0,0]=3 3425 B11R1.166 C[C@H]1CCC(C(=O)O)[C@H](C)O1 Amb27801338 [0,1,0,1,0,0|1,0,1]=4 3426 B11R1.166 NC(=O)C1CNC(=O)CC1O Amb27843739 [0,1,0,1,0,0|2,0,0]=4 3427 B11R1.172 O=C(O)CCCC1=CCCC1 Amb18125777 [0,1,0,1,0,0|2,0,0]=4 3428 B11R1.172 O=C(O)CCCC1=NCCN1 Amb27674406 [0,1,0,1,0,0|2,0,0]=4 3429 B11R1.172 O=C(O)CCCC1CCCO1 Amb26990705 [0,1,0,1,0,0|1,0,1]=4 3430 B11R1.172 O=C(O)CCCC1CCOC1 Amb24755490 [0,1,0,1,0,0|1,0,1]=4 3431 B11R1.172 O=C(O)CCCc1ccco1 Amb18125675 [0,1,0,1,0,0|1,0,1]=4 3432 B11R1.172 O=C(O)CCCc1ccno1 Amb18200545 [0,1,0,1,0,0|1,0,1]=4 3433 B11R1.172 O=C(O)CCCc1ccoc1 Amb25385034 [0,1,0,1,0,0|1,0,1]=4 3434 B11R1.172 O=C(O)CCCc1ccon1 Amb24062140 [0,1,0,1,0,0|1,0,1]=4 3435 B11R1.172 O=C(O)CCCc1cnco1 Amb18200538 [0,1,0,1,0,0|1,0,1]=4 3436 B11R1.172 O=C(O)CCCc1cocn1 Amb18200521 [0,1,0,1,0,0|1,0,1]=4 3437 B11R1.172 O=C(O)CCCc1ncco1 Amb18559420 [0,1,0,1,0,0|1,0,1]=4 3438 B11R1.172 O=C(O)CCCc1ncon1 Amb18200268 [0,1,0,1,0,0|1,0,1]=4 3439 B11R1.172 O=C(O)CCCc1nnco1 Amb17138462 [0,1,0,1,0,0|1,0,1]=4 3440 B11R1.201 CCOC(=O)CC1CC(=O)C1 Amb24764656 [0,1,0,1,0,0|1,0,0]=3 3441 B11R1.201 CCOC(=O)CC1CC(O)C1 Amb22737535 [0,1,0,1,0,0|1,0,1]=4 3442 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 Amb24183444 [0,1,0,1,0,0|1,0,1]=4 3443 B11R1.201 CCOC(=O)C[C@H]1C[C@H](O)C1 Amb24183445 [0,1,0,1,0,0|1,0,1]=4 3444 B11R1.645 CC(=O)C[C@@H]1CC(=O)C=C1C Amb25143940 [0,1,0,1,0,0|2,0,0]=4 3445 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,1,0,1,0,0|2,0,0]=4 3446 B11R1.645 CC1=CC(C)C(CC(=O)O)C1 Amb18125745 [0,1,0,1,0,0|2,0,0]=4 3447 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,1,0,1,0,0|2,0,0]=4 3448 B11R1.645 CC1CC(CC(=O)O)C(C)O1 Amb28249579 [0,1,0,1,0,0|1,0,1]=4 3449 B11R1.645 CN1OC(=O)C=C1CC(=O)O Amb28245636 [0,1,0,1,0,0|0,0,2]=4 3450 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18830651 [0,1,0,1,0,0|1,0,0]=3 3451 B11R1.645 O=C(O)CC1CC(=O)NC1=O Amb6739994 [0,1,0,1,0,0|1,0,1]=4 3452 B11R1.645 O=C(O)CC1CC(=O)OC1=O Amb1091982 [0,1,0,1,0,0|0,0,1]=3 3453 B11R1.645 O=C(O)CC1NC(=O)OC1=O Amb24419989 [0,1,0,1,0,0|1,0,1]=4 3454 B11R1.674 CC1NC(=O)C1CCC(=O)O Amb27790507 [0,1,0,1,0,0|1,0,0]=3 3455 B11R1.674 C[C@@H]1NC(=O)[C@H]1CCC(=O)O Amb27852429 [0,1,0,1,0,0|1,0,0]=3 3456 B11R1.720 O=C(O)CCCC(=O)C1CC1 Amb6305217 [0,1,0,1,0,0|1,0,0]=3 3457 B11R1.720 O=C(O)CCNC(=O)C1CC1 Amb1120565 [0,1,0,1,0,0|2,0,0]=4 3458 B11R1.816 CCCC(=O)C1CC1C(=O)O Amb25384586 [0,1,0,1,0,0|1,0,0]=3 3459 B11R1.816 CCNC(=O)[C@@H]1C[C@@H]1C(=O)O Amb27627222 [0,1,0,1,0,0|1,0,0]=3 3460 B11R1.816 CCNC(=O)[C@@H]1C[C@H]1C(=O)O Amb33192486 [0,1,0,1,0,0|1,0,0]=3 3461 B11R1.816 CCNC(=O)[C@H]1O[C@@H]1C(=O)O Amb28254425 [0,1,0,1,0,0|2,0,0]=4 3462 B11R1.816 CCOC(=O)C1CC1B(O)O Amb24314277 [0,1,0,1,0,0|1,0,1]=4 3463 B11R1.816 CCOC(=O)C1CC1C(=O)Cl Amb26990583 [0,1,0,1,0,0|1,0,0]=3 3464 B11R1.816 CCOC(=O)C1CC1C(=O)O Amb10068403 [0,1,0,1,0,0|0,0,0]=2 3465 B11R1.816 CCOC(=O)C1CC1C(C)=O Amb27672424 [0,1,0,1,0,0|1,0,0]=3 3466 B11R1.816 CCOC(=O)C1CC1[N+](=O)[O-] Amb25383936 [0,1,0,1,0,0|1,0,1]=4 3467 B11R1.816 CCOC(=O)C1OC1C(=O)Cl Amb24763069 [0,1,0,1,0,0|2,0,0]=4 3468 B11R1.816 CCOC(=O)C1OC1C(=O)O Amb27990205 [0,1,0,1,0,0|1,0,0]=3 3469 B11R1.816 CCOC(=O)C1OC1C(C)=O Amb27269962 [0,1,0,1,0,0|2,0,0]=4 3470 B11R1.816 CCOC(=O)C1OC1C(N)=O Amb25386163 [0,1,0,1,0,0|2,0,0]=4 3471 B11R1.816 CCOC(=O)[C@@H]1C[C@@H]1C(=O)O Amb26081202 [0,1,0,1,0,0|0,0,0]=2 3472 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1B(O)O Amb27671790 [0,1,0,1,0,0|1,0,1]=4 3473 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O Amb26083579 [0,1,0,1,0,0|0,0,0]=2 3474 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(C)=O Amb27673582 [0,1,0,1,0,0|1,0,0]=3 3475 B11R1.816 CCOC(=O)[C@@H]1O[C@@H]1C(=O)O Amb25384257 [0,1,0,1,0,0|1,0,0]=3 3476 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O Amb22736069 [0,1,0,1,0,0|0,0,0]=2 3477 B11R1.816 CCOC(=O)[C@H]1O[C@@H]1C(=O)O Amb25383061 [0,1,0,1,0,0|1,0,0]=3 3478 B11R1.816 CCOC(C)C1CC1C(=O)O Amb33425707 [0,1,0,1,0,0|1,0,1]=4 3479 B11R1.816 CCOC(C)[C@@H]1C[C@H]1C(=O)O Amb33425411 [0,1,0,1,0,0|1,0,1]=4 3480 B11R1.816 COCC(C)C1CC1C(=O)O Amb27988212 [0,1,0,1,0,0|1,0,1]=4 3481 B11R1.816 CONC(=O)[C@@H]1C[C@@H]1C(=O)O Amb27219235 [0,1,0,1,0,0|0,0,0]=2 3482 B11R1.924 CC1(CCCC(=O)O)COC1 Amb27989338 [0,1,0,1,0,0|1,0,1]=4 3483 B11R1.50 COC1CC(N)C(C(=O)O)O1 Amb27442999 [0,1,0,1,0,0|0,0,2]=4 3484 B11R1.50 COC1CC(O)C(C(=O)O)O1 Amb28195185 [0,1,0,1,0,0|0,0,2]=4 3485 B11R1.50 C\C=C1/C[C@H](C(=O)O)[C@H](N)C1 Amb28140698 [0,1,0,1,0,0|2,0,0]=4 3486 B11R1.80 CC1=C(C)CC(CC(=O)O)C1 Amb25361000 [0,1,0,1,0,0|2,0,0]=4 3487 B11R1.80 CN1CC(CC(=O)O)CC1=O Amb8009856 [0,1,0,1,0,0|1,0,0]=3 3488 B11R1.80 CN1CC(CC(=O)O)OC1=O Amb18830410 [0,1,0,1,0,0|2,0,0]=4 3489 B11R1.80 CN1N=C(CC(=O)O)CC1=O Amb8826408 [0,1,0,1,0,0|1,0,1]=4 3490 B11R1.80 O=C(O)CC1CC(=O)C(=O)C1 Amb9782770 [0,1,0,1,0,0|1,0,0]=3 3491 B11R1.225 C=C1CC(N)C(C(=O)OC)C1 Amb25299258 [0,1,0,1,0,0|2,0,0]=4 3492 B11R1.225 CCC(=O)[C@H]1OC(=O)N[C@@H]1C Amb28250916 [0,1,0,1,0,0|2,0,0]=4 3493 B11R1.225 COC(=O)C1=CC(=O)CC1C Amb27867193 [0,1,0,1,0,0|1,0,1]=4 3494 B11R1.225 COC(=O)C1CC(=O)CC1C Amb27948667 [0,1,0,1,0,0|1,0,0]=3 3495 B11R1.225 COC(=O)C1CC(=O)CN1C Amb27199079 [0,1,0,1,0,0|2,0,0]=4 3496 B11R1.225 COC(=O)C1CC(O)CC1N Amb26459825 [0,1,0,1,0,0|1,0,1]=4 3497 B11R1.225 COC(=O)C1CC(O)CC1N Amb32683452 [0,1,0,1,0,0|1,0,1]=4 3498 B11R1.225 COC(=O)C1NC(=O)CC1F Amb27601967 [0,1,0,1,0,0|1,0,0]=3 3499 B11R1.225 COC(=O)C1NC(=O)CC1O Amb27176450 [0,1,0,1,0,0|1,0,0]=3 3500 B11R1.225 COC(=O)C1NC(=O)OC1C Amb27617364 [0,1,0,1,0,0|2,0,0]=4 3501 B11R1.225 COC(=O)C1OC(C)CC1C Amb28366985 [0,1,0,1,0,0|1,0,1]=4 3502 B11R1.225 COC(=O)N1CC(=O)CC1C Amb25341417 [0,1,0,1,0,0|2,0,0]=4 3503 B11R1.225 COC(=O)[C@@H]1CC(=O)CN1C Amb25893450 [0,1,0,1,0,0|2,0,0]=4 3504 B11R1.225 COC(=O)[C@@H]1C[C@H](O)C[C@@H]1N Amb32683524 [0,1,0,1,0,0|1,0,1]=4 3505 B11R1.225 COC(=O)[C@@H]1C[C@H](O)C[C@@H]1N Amb32683525 [0,1,0,1,0,0|1,0,1]=4 3506 B11R1.225 COC(=O)[C@@H]1C[C@H](O)C[C@H]1N Amb28320505 [0,1,0,1,0,0|1,0,1]=4 3507 B11R1.225 COC(=O)[C@@H]1NC(=O)C[C@@H]1C Amb27635775 [0,1,0,1,0,0|1,0,0]=3 3508 B11R1.225 COC(=O)[C@@H]1NC(=O)C[C@@H]1F Amb28435001 [0,1,0,1,0,0|1,0,0]=3 3509 B11R1.225 COC(=O)[C@H]1NC(=O)C[C@@H]1F Amb27197202 [0,1,0,1,0,0|1,0,0]=3 3510 B11R1.225 COC(=O)[C@H]1NC(=O)C[C@H]1C Amb27799766 [0,1,0,1,0,0|1,0,0]=3 3511 B11R1.225 COC(=O)[C@H]1NC(=O)C[C@H]1F Amb27452051 [0,1,0,1,0,0|1,0,0]=3 3512 B11R1.225 COC(=O)[C@H]1NC(=O)O[C@@H]1C Amb26425659 [0,1,0,1,0,0|2,0,0]=4 3513 B11R1.225 COC(=O)[C@H]1NC(=O)O[C@H]1C Amb28144756 [0,1,0,1,0,0|2,0,0]=4 3514 B11R1.673 C=C1C[C@@H](N)[C@@H](C(=O)O)C1C Amb27195864 [0,1,0,1,0,0|2,0,0]=4 3515 B11R1.673 CN1C(=N)CC(O)[C@H]1C(=O)O Amb25028079 [0,1,0,1,0,0|2,0,0]=4 3516 B11R1.673 C[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O Amb27472015 [0,1,0,1,0,0|2,0,0]=4 3517 B11R1.673 C[C@H]1OC(=O)N(C)[C@@H]1C(=O)O Amb27634869 [0,1,0,1,0,0|2,0,0]=4 3518 B11R1.815 COC(=O)CC(O)C1OC1C Amb27673880 [0,1,0,1,0,0|1,0,1]=4 3519 B11R1.815 COC(=O)CC(O)[C@@H]1O[C@H]1C Amb28079995 [0,1,0,1,0,0|1,0,1]=4 3520 B11R1.873 C=C1C(C(=O)O)C1C(=O)OC Amb27863431 [0,1,0,1,0,0|0,0,1]=3 3521 B11R1.873 COC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)O Amb28320477 [0,1,0,1,0,0|0,0,0]=2 3522 B11R1.873 COC(=O)[C@H]1[C@H](C)[C@H]1C(=O)O Amb25974979 [0,1,0,1,0,0|0,0,0]=2 3523 B11R1.1039 CC1CC(N)(CC(=O)O)CO1 Amb33254626 [0,1,0,1,0,0|1,0,1]=4 3524 B11R1.1039 CC1CC(O)(CC(=O)O)CO1 Amb29850212 [0,1,0,1,0,0|1,0,1]=4 3525 B11R1.1039 NC1(CC(=O)O)CNC(=O)C1 Amb27634133 [0,1,0,1,0,0|1,0,0]=3 3526 B11R1.1039 O=C(O)CC1(O)CCC(=O)O1 Amb27823336 [0,1,0,1,0,0|2,0,0]=4 3527 B11R1.1081 COC1CC(N)(CC(=O)O)C1 Amb26011118 [0,1,0,1,0,0|1,0,1]=4 3528 B11R1.21 C=C1CCC(C(=O)O)CC1N Amb27651677 [0,1,0,1,0,0|2,0,0]=4 3529 B11R1.21 C=C1CC[C@@H](C(=O)O)C[C@@H]1N Amb28142351 [0,1,0,1,0,0|2,0,0]=4 3530 B11R1.21 CC1=C(C)CC(C(=O)O)CC1 Amb7088978 [0,1,0,1,0,0|2,0,0]=4 3531 B11R1.21 CC1=C(C)C[C@@H](C(=O)O)CC1 Amb24432806 [0,1,0,1,0,0|2,0,0]=4 3532 B11R1.21 CC1CC(C(=O)O)CCC1=O Amb25172803 [0,1,0,1,0,0|1,0,0]=3 3533 B11R1.21 CC1CC(C(=O)O)CNC1=O Amb28129105 [0,1,0,1,0,0|1,0,0]=3 3534 B11R1.21 CC1CC(C(N)=O)CCC1=O Amb27661682 [0,1,0,1,0,0|2,0,0]=4 3535 B11R1.21 CN1CC(C(=O)O)CCC1=O Amb22799390 [0,1,0,1,0,0|1,0,0]=3 3536 B11R1.21 CN1CC(C(=O)O)CCC1=O Amb6890404 [0,1,0,1,0,0|1,0,0]=3 3537 B11R1.21 CN1CC(C(=O)O)CNC1=O Amb25920671 [0,1,0,1,0,0|2,0,0]=4 3538 B11R1.21 CN1CC(C(=O)O)NCC1=O Amb27839721 [0,1,0,1,0,0|2,0,0]=4 3539 B11R1.21 CN1CC(C(=O)O)NCC1=O Amb30584778 [0,1,0,1,0,0|2,0,0]=4 3540 B11R1.21 CN1CC(C(=O)O)OCC1=O Amb27434934 [0,1,0,1,0,0|2,0,0]=4 3541 B11R1.21 CN1N=C(C(=O)O)CCC1=O Amb6335757 [0,1,0,1,0,0|1,0,1]=4 3542 B11R1.21 C[C@@H]1C[C@H](C(=O)O)CCC1=O Amb27863430 [0,1,0,1,0,0|1,0,0]=3 3543 B11R1.21 NC1CC(C(=O)O)CNC1=O Amb27441294 [0,1,0,1,0,0|1,0,0]=3 3544 B11R1.21 O=C(O)C1CCC(=O)N(P)C1 Amb27163995 [0,1,0,1,0,0|1,0,0]=3 3545 B11R1.21 O=C1CC(C(=O)O)CNC1=O Amb27427532 [0,1,0,1,0,0|1,0,1]=4 3546 B11R1.21 O=C1NC(C(=O)O)COC1=O Amb28132729 [0,1,0,1,0,0|1,0,1]=4 3547 B11R1.22 C=C1CCC(C(=O)OC)CC1 Amb26026534 [0,1,0,1,0,0|2,0,0]=4 3548 B11R1.22 CNC(=O)C1CCC(=O)CC1 Amb26327084 [0,1,0,1,0,0|2,0,0]=4 3549 B11R1.22 COC(=O)C1=NNC(=O)CC1 Amb19930081 [0,1,0,1,0,0|1,0,1]=4 3550 B11R1.22 COC(=O)C1C=CC(=O)CC1 Amb27948565 [0,1,0,1,0,0|1,0,0]=3 3551 B11R1.22 COC(=O)C1CC=C(Br)CC1 Amb24749863 [0,1,0,1,0,0|2,0,0]=4 3552 B11R1.22 COC(=O)C1CC=C(C)CC1 Amb22493627 [0,1,0,1,0,0|2,0,0]=4 3553 B11R1.22 COC(=O)C1CCC(=O)CC1 Amb4477304 [0,1,0,1,0,0|1,0,0]=3 3554 B11R1.22 COC(=O)C1CCC(=O)CO1 Amb24569287 [0,1,0,1,0,0|0,0,0]=2 3555 B11R1.22 COC(=O)C1CCC(=O)NC1 Amb19957331 [0,1,0,1,0,0|1,0,0]=3 3556 B11R1.22 COC(=O)C1CCC(=O)SC1 Amb27445750 [0,1,0,1,0,0|0,1,0]=3 3557 B11R1.22 COC(=O)C1CCC(N)=NC1 Amb24062483 [0,1,0,1,0,0|2,0,0]=4 3558 B11R1.22 COC(=O)C1CCC(N)=NC1 Amb28652915 [0,1,0,1,0,0|2,0,0]=4 3559 B11R1.22 COC(=O)C1CCC(N)CO1 Amb28421880 [0,1,0,1,0,0|1,0,1]=4 3560 B11R1.22 COC(=O)C1CCC(O)CC1 Amb2695239 [0,1,0,1,0,0|1,0,1]=4 3561 B11R1.22 COC(=O)C1CCC(O)CO1 Amb26566250 [0,1,0,1,0,0|0,0,2]=4 3562 B11R1.22 COC(=O)C1CNC(=O)CN1 Amb24419888 [0,1,0,1,0,0|2,0,0]=4 3563 B11R1.22 COC(=O)C1CNC(=O)OC1 Amb27199734 [0,1,0,1,0,0|1,0,0]=3 3564 B11R1.22 COC(=O)N1C=CC(=O)CC1 Amb25976125 [0,1,0,1,0,0|2,0,0]=4 3565 B11R1.22 COC(=O)N1CCC(=O)CC1 Amb6668942 [0,1,0,1,0,0|2,0,0]=4 3566 B11R1.22 COC(=O)[C@@H]1CC=C(C)CC1 Amb26337856 [0,1,0,1,0,0|2,0,0]=4 3567 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 Amb27633633 [0,1,0,1,0,0|1,0,0]=3 3568 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 Amb24571184 [0,1,0,1,0,0|1,0,1]=4 3569 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb10608895 [0,1,0,1,0,0|2,0,0]=4 3570 B11R1.22 COC(=O)[C@H]1CC=C(C)CC1 Amb25684213 [0,1,0,1,0,0|2,0,0]=4 3571 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 Amb27965494 [0,1,0,1,0,0|1,0,0]=3 3572 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 Amb23439292 [0,1,0,1,0,0|1,0,1]=4 3573 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 Amb22756640 [0,1,0,1,0,0|1,0,1]=4 3574 B11R1.22 NNC(=O)C1CCC(=O)NC1 Amb27176275 [0,1,0,1,0,0|2,0,0]=4 3575 B11R1.22 N\C(=N/O)C1CCC(=O)NC1 Amb26545022 [0,1,0,1,0,0|2,0,0]=4 3576 B11R1.22 O=C1CCN(C(=O)CO)CC1 Amb18183137 [0,1,0,1,0,0|2,0,0]=4 3577 B11R1.296 COC(=O)C(N)C1CC(=O)N1 Amb28368665 [0,1,0,1,0,0|1,0,0]=3 3578 B11R1.672 CN1C(=O)C(N)CC1C(=O)O Amb28323541 [0,1,0,1,0,0|1,0,0]=3 3579 B11R1.672 CN1C(=O)C(N)CC1C(N)=O Amb27959204 [0,1,0,1,0,0|2,0,0]=4 3580 B11R1.672 CN1CC(C(=O)O)N(C)C1=O Amb22642302 [0,1,0,1,0,0|2,0,0]=4 3581 B11R1.672 CN1C[C@@H](C(=O)O)N(C)C1=O Amb25322026 [0,1,0,1,0,0|2,0,0]=4 3582 B11R1.853 COC(=O)C1CC(C(=O)O)C1 Amb22504357 [0,1,0,1,0,0|0,0,0]=2 3583 B11R1.853 COC(=O)C1CC(C(=O)O)N1 Amb27176562 [0,1,0,1,0,0|0,0,0]=2 3584 B11R1.853 COC(=O)C1CC(C(=O)[O-])C1 Amb34197082 [0,1,0,1,0,0|0,0,1]=3 3585 B11R1.853 COC(=O)C1CC(C(C)=O)C1 Amb25069415 [0,1,0,1,0,0|1,0,0]=3 3586 B11R1.853 COC(=O)C1CC(C(N)=O)C1 Amb27794863 [0,1,0,1,0,0|1,0,0]=3 3587 B11R1.853 COC(=O)C1CC(S(=O)[O-])C1 Amb32754690 [0,1,0,1,0,0|1,0,1]=4 3588 B11R1.853 COC(=O)C1CN(C(=O)Cl)C1 Amb33296734 [0,1,0,1,0,0|2,0,0]=4 3589 B11R1.853 COC(=O)C1CN(C(C)=O)C1 Amb21865555 [0,1,0,1,0,0|2,0,0]=4 3590 B11R1.853 COC(=O)N1CC(C(N)=O)C1 Amb27208303 [0,1,0,1,0,0|2,0,0]=4 3591 B11R1.853 COC(=O)[C@H]1C[C@@H](C(=O)O)C1 Amb7970124 [0,1,0,1,0,0|0,0,0]=2 3592 B11R1.853 COC(=O)[C@H]1C[C@@H](C(C)=O)C1 Amb28074663 [0,1,0,1,0,0|1,0,0]=3 3593 B11R1.853 COC(=O)[C@H]1C[C@@H](C(N)=O)C1 Amb28118959 [0,1,0,1,0,0|1,0,0]=3 3594 B11R1.853 COC(=O)[C@H]1C[C@@H](S(=O)Cl)C1 Amb32720654 [0,1,0,1,0,0|2,0,0]=4 3595 B11R1.853 COC(=O)[C@H]1C[C@@H](S(N)=O)C1 Amb32720655 [0,1,0,1,0,0|2,0,0]=4 3596 B11R1.853 COC(=O)[C@H]1C[C@H](C(=O)O)C1 Amb26446375 [0,1,0,1,0,0|0,0,0]=2 3597 B11R1.853 COC(=O)[C@H]1C[C@H](S(=O)Cl)C1 Amb32720651 [0,1,0,1,0,0|2,0,0]=4 3598 B11R1.853 COC(=O)[C@H]1C[C@H](S(=O)[O-])C1 Amb32754784 [0,1,0,1,0,0|1,0,1]=4 3599 B11R1.853 COC(=O)[C@H]1C[C@H](S(N)=O)C1 Amb32720652 [0,1,0,1,0,0|2,0,0]=4 3600 B11R1.853 COC(=O)[C@H]1C[C@H]([N+](=O)[O-])C1 Amb33189283 [0,1,0,1,0,0|1,0,1]=4 3601 B11R1.866 COC(=O)C1CCS(=O)(=O)C1 Amb26957326 [0,1,0,1,0,0|1,0,1]=4 3602 B11R1.866 COC(=O)C1CCS(=O)(=O)N1 Amb26060657 [0,1,0,1,0,0|1,0,1]=4 3603 B11R1.866 COC(=O)[C@@H]1CCC(C)(C)O1 Amb27588951 [0,1,0,1,0,0|1,0,1]=4 3604 B11R1.885 COC(=O)C1(C)C=C(C)CC1 Amb22365124 [0,1,0,1,0,0|2,0,0]=4 3605 B11R1.885 COC(=O)C1(C)CCC(=O)C1 Amb23454224 [0,1,0,1,0,0|1,0,0]=3 3606 B11R1.885 COC(=O)C1(C)CCC(=O)N1 Amb23596470 [0,1,0,1,0,0|1,0,0]=3 3607 B11R1.885 COC(=O)C1(C)CCC(=O)O1 Amb28410378 [0,1,0,1,0,0|0,0,0]=2 3608 B11R1.885 COC(=O)C1(C)COC(=O)O1 Amb28069494 [0,1,0,1,0,0|1,0,0]=3 3609 B11R1.885 COC(=O)C1(N)CCC(O)C1 Amb29867577 [0,1,0,1,0,0|1,0,1]=4 3610 B11R1.885 COC(=O)[C@@]1(C)CCC(=O)N1 Amb32676967 [0,1,0,1,0,0|1,0,0]=3 3611 B11R1.885 COC(=O)[C@]1(C)COC(=O)N1 Amb28239527 [0,1,0,1,0,0|2,0,0]=4 3612 B11R1.888 COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)O Amb33339044 [0,1,0,1,0,0|0,0,0]=2 3613 B11R1.888 COC(C)C1(C)CC1C(=O)O Amb27823478 [0,1,0,1,0,0|1,0,1]=4 3614 B11R1.44 CCC1=NC(C(=O)OC)CC1 Amb23560256 [0,1,0,1,0,0|2,0,0]=4 3615 B11R1.44 COC(=O)C1CCC(C=O)C1 Amb18644789 [0,1,0,1,0,0|1,0,1]=4 3616 B11R1.44 COC(=O)C1CCC(CN)O1 Amb28989504 [0,1,0,1,0,0|1,0,1]=4 3617 B11R1.44 COC(=O)C1CCC(CO)C1 Amb26448823 [0,1,0,1,0,0|1,0,1]=4 3618 B11R1.44 COC(=O)C1CCC(CO)O1 Amb13951705 [0,1,0,1,0,0|0,0,2]=4 3619 B11R1.44 COC(=O)C1CCC(OC)=N1 Amb5718958 [0,1,0,1,0,0|1,0,0]=3 3620 B11R1.44 COC(=O)C1CN=C(CCl)O1 Amb35789085 [0,1,0,1,0,0|2,0,0]=4 3621 B11R1.44 COC(=O)C1CN=C(CN)O1 Amb35788303 [0,1,0,1,0,0|2,0,0]=4 3622 B11R1.44 COC(=O)N1C=C(C=O)CC1 Amb18125828 [0,1,0,1,0,0|2,0,0]=4 3623 B11R1.44 COC(=O)[C@@H]1CCC(OC)=N1 Amb24408985 [0,1,0,1,0,0|1,0,0]=3 3624 B11R1.44 COC(=O)[C@@H]1CCC(SC)=N1 Amb33622746 [0,1,0,1,0,0|1,1,0]=4 3625 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C=O)C1 Amb25335264 [0,1,0,1,0,0|1,0,1]=4 3626 B11R1.44 COC(=O)[C@@H]1CC[C@H](C=O)C1 Amb27799242 [0,1,0,1,0,0|1,0,1]=4 3627 B11R1.44 COC(=O)[C@@H]1CC[C@H](CN)O1 Amb25231224 [0,1,0,1,0,0|1,0,1]=4 3628 B11R1.44 COC(=O)[C@@H]1CC[C@H](CO)C1 Amb6299837 [0,1,0,1,0,0|1,0,1]=4 3629 B11R1.44 COC(=O)[C@@H]1CC[C@H](CO)O1 Amb25168854 [0,1,0,1,0,0|0,0,2]=4 3630 B11R1.44 COC(=O)[C@H]1CC[C@@H](C=O)C1 Amb32757572 [0,1,0,1,0,0|1,0,1]=4 3631 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)C1 Amb26970565 [0,1,0,1,0,0|1,0,1]=4 3632 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)O1 Amb27775833 [0,1,0,1,0,0|0,0,2]=4 3633 B11R1.264 COC(=O)CC1CC(C=O)C1 Amb28080501 [0,1,0,1,0,0|1,0,1]=4 3634 B11R1.264 COC(=O)CC1CC(CO)C1 Amb26659103 [0,1,0,1,0,0|1,0,1]=4 3635 B11R1.264 COC(=O)CC1CC(OC)C1 Amb28080515 [0,1,0,1,0,0|1,0,1]=4 3636 B11R1.851 CNC(=O)[C@@H]1C[C@H]1C(=O)NC Amb28123007 [0,1,0,1,0,0|2,0,0]=4 3637 B11R1.851 COC(=O)C1CC1C(=O)CBr Amb27673314 [0,1,0,1,0,0|1,0,0]=3 3638 B11R1.851 COC(=O)C1CC1C(O)C#N Amb28410607 [0,1,0,1,0,0|1,0,1]=4 3639 B11R1.851 COC(=O)C1CC1C(O)CO Amb26083753 [0,1,0,1,0,0|0,0,2]=4 3640 B11R1.851 COC(=O)C1NC1C(=O)OC Amb10610624 [0,1,0,1,0,0|1,0,0]=3 3641 B11R1.851 COC(=O)C1OC1C(=O)OC Amb26660195 [0,1,0,1,0,0|1,0,0]=3 3642 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)CBr Amb24764513 [0,1,0,1,0,0|1,0,0]=3 3643 B11R1.851 COC(=O)[C@@H]1C[C@H]1C(=O)OC Amb8514860 [0,1,0,1,0,0|0,0,0]=2 3644 B11R1.851 COC(=O)[C@@H]1N[C@H]1C(=O)OC Amb19374707 [0,1,0,1,0,0|1,0,0]=3 3645 B11R1.851 COC(=O)[C@H]1C[C@H]1C(=O)OC Amb8514859 [0,1,0,1,0,0|0,0,0]=2 3646 B11R1.851 COC(=O)[C@H]1N[C@@H]1C(=O)OC Amb33858168 [0,1,0,1,0,0|1,0,0]=3 3647 B11R1.865 C=C1C(=O)CCC1C(=O)OC Amb28461258 [0,1,0,1,0,0|1,0,0]=3 3648 B11R1.865 C=C1C(=O)CC[C@H]1C(=O)OC Amb27164692 [0,1,0,1,0,0|1,0,0]=3 3649 B11R1.865 C=C1C(=O)NCC1C(=O)OC Amb28240308 [0,1,0,1,0,0|2,0,0]=4 3650 B11R1.865 CCC(=O)C1CCC(=O)C1C Amb27861256 [0,1,0,1,0,0|2,0,0]=4 3651 B11R1.865 CCC(=O)C1CCC(=O)N1C Amb27165209 [0,1,0,1,0,0|2,0,0]=4 3652 B11R1.865 CN1C(=O)CC[C@H]1C(=O)NO Amb24612788 [0,1,0,1,0,0|1,0,0]=3 3653 B11R1.865 CNC(=O)[C@@H]1CCC(=O)N1C Amb28366803 [0,1,0,1,0,0|2,0,0]=4 3654 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C Amb27249501 [0,1,0,1,0,0|2,0,0]=4 3655 B11R1.865 COC(=O)C1CCC(=O)C1C Amb25288216 [0,1,0,1,0,0|1,0,0]=3 3656 B11R1.865 COC(=O)C1CCC(=O)C1N Amb27623256 [0,1,0,1,0,0|1,0,0]=3 3657 B11R1.865 COC(=O)C1CCC(=O)N1C Amb13887226 [0,1,0,1,0,0|1,0,0]=3 3658 B11R1.865 COC(=O)C1CCC(C)C1=O Amb5395490 [0,1,0,1,0,0|1,0,1]=4 3659 B11R1.865 COC(=O)C1CCC(O)C1C Amb26014485 [0,1,0,1,0,0|1,0,1]=4 3660 B11R1.865 COC(=O)C1CCC(O)C1O Amb23456142 [0,1,0,1,0,0|0,0,2]=4 3661 B11R1.865 COC(=O)C1CCN(C)C1=O Amb26373300 [0,1,0,1,0,0|2,0,0]=4 3662 B11R1.865 COC(=O)C1CNC(=O)C1=O Amb24311954 [0,1,0,1,0,0|1,0,1]=4 3663 B11R1.865 COC(=O)C1CNC(=O)C1N Amb27152947 [0,1,0,1,0,0|2,0,0]=4 3664 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C Amb10602465 [0,1,0,1,0,0|1,0,0]=3 3665 B11R1.865 COC(=O)[C@H]1CCC(=O)N1C Amb10602464 [0,1,0,1,0,0|1,0,0]=3 3666 B11R1.865 COC(=O)[C@H]1CCC(O)[C@@H]1C Amb27970896 [0,1,0,1,0,0|1,0,1]=4 3667 B11R1.865 COC(=O)[C@H]1CC[C@@H](Cl)[C@@H]1O Amb27192139 [0,1,0,1,0,0|1,0,1]=4 3668 B11R1.76 O=C1CC(CS(=O)(=O)Cl)CO1 Amb27437978 [0,1,0,1,0,0|1,0,1]=4 3669 B11R1.515 CC1C(C(=O)O)CCS1(=O)=O Amb28118967 [0,1,0,1,0,0|2,0,0]=4 3670 B11R1.515 CN1C(C(=O)O)CCS1(=O)=O Amb27219337 [0,1,0,1,0,0|2,0,0]=4 3671 B11R1.710 CC1(C)CC(CC(=O)O)CO1 Amb27468095 [0,1,0,1,0,0|1,0,1]=4 3672 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 Amb1154428 [0,1,0,1,0,0|2,0,0]=4 3673 B11R1.727 CC1(C)CCC(C(=O)O)CO1 Amb24312659 [0,1,0,1,0,0|1,0,1]=4 3674 B11R1.727 CP1(=O)CCC(C(=O)O)CC1 Amb26893335 [0,1,0,1,0,0|2,0,0]=4 3675 B11R1.727 N=S1(=O)CCC(C(=O)O)CC1 Amb33249821 [0,1,0,1,0,0|2,0,0]=4 3676 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Amb2416634 [0,1,0,1,0,0|2,0,0]=4 3677 B11R1.3 COC1CCC(C(=O)O)CC1 Amb3939863 [0,1,0,1,0,0|1,0,1]=4 3678 B11R1.3 CON1CCC(C(=O)O)CC1 Amb26881350 [0,1,0,1,0,0|2,0,0]=4 3679 B11R1.3 CON1CCC(C(=O)O)CC1 Amb28921116 [0,1,0,1,0,0|2,0,0]=4 3680 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 Amb27760413 [0,1,0,1,0,0|1,0,1]=4 3681 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 Amb24183374 [0,1,0,1,0,0|1,0,1]=4 3682 B11R1.3 O=CC1=CNC(C(=O)O)CC1 Amb33735075 [0,1,0,1,0,0|2,0,0]=4 3683 B11R1.3 O=CN1CCC(C(=O)O)CC1 Amb2688606 [0,1,0,1,0,0|2,0,0]=4 3684 B11R1.3 O=C[C@H]1CC[C@H](C(=O)O)CC1 Amb25909662 [0,1,0,1,0,0|1,0,1]=4 3685 B11R1.473 COC1CCC(C(=O)O)C1N Amb27437876 [0,1,0,1,0,0|1,0,1]=4 3686 B11R1.473 CO[C@H]1CC[C@@H](C(=O)O)[C@@H]1N Amb27666963 [0,1,0,1,0,0|1,0,1]=4 3687 B11R1.682 CCC(OC)C1CC1C(=O)O Amb24763057 [0,1,0,1,0,0|1,0,1]=4 3688 B11R1.682 CCC(OC)[C@@H]1C[C@H]1C(=O)O Amb33320141 [0,1,0,1,0,0|1,0,1]=4 3689 B11R1.682 COC(OC)C1CC1C(=O)O Amb26660588 [0,1,0,1,0,0|0,0,2]=4 3690 B11R1.682 COC(OC)[C@@H]1C[C@H]1C(=O)O Amb33342033 [0,1,0,1,0,0|0,0,2]=4 3691 B11R1.220 CC(=O)C1(C)CCC(=O)CC1 Amb22497449 [0,1,0,1,0,0|2,0,0]=4 3692 B11R1.220 CC(=O)C1(C)COC(=O)OC1 Amb27630064 [0,1,0,1,0,0|2,0,0]=4 3693 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 Amb22227990 [0,1,0,1,0,0|1,0,0]=3 3694 B11R1.220 CC1(C(=O)O)CCC(=O)NC1 Amb28284956 [0,1,0,1,0,0|1,0,0]=3 3695 B11R1.220 CC1(C(=O)O)COC(=O)OC1 Amb26866279 [0,1,0,1,0,0|1,0,0]=3 3696 B11R1.220 CC1(C(=O)O)COS(=O)OC1 Amb27875085 [0,1,0,1,0,0|2,0,0]=4 3697 B11R1.220 CC1=CCC(C)(C(=O)O)CC1 Amb18125736 [0,1,0,1,0,0|2,0,0]=4 3698 B11R1.220 CC1=CCC(O)(C(=O)O)CC1 Amb27407725 [0,1,0,1,0,0|2,0,0]=4 3699 B11R1.220 CC1CCC(N)(C(=O)O)CO1 Amb35694652 [0,1,0,1,0,0|1,0,1]=4 3700 B11R1.220 CC1CCC(O)(C(=O)O)CO1 Amb29850026 [0,1,0,1,0,0|1,0,1]=4 3701 B11R1.220 NC(=O)C1(N)CCC(=O)NC1 Amb27440634 [0,1,0,1,0,0|2,0,0]=4 3702 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 Amb16183881 [0,1,0,1,0,0|1,0,0]=3 3703 B11R1.220 NC1(C(=O)O)CCS(=O)CC1 Amb28250020 [0,1,0,1,0,0|2,0,0]=4 3704 B11R1.220 O=C(O)C1(O)CC=C(F)CC1 Amb27409103 [0,1,0,1,0,0|2,0,0]=4 3705 B11R1.220 O=C1CCC(F)(C(=O)O)CC1 Amb24533003 [0,1,0,1,0,0|1,0,0]=3 3706 B11R1.220 O=C1CCC(O)(C(=O)O)CC1 Amb27467622 [0,1,0,1,0,0|1,0,0]=3 3707 B11R1.226 C=C1C[C@@H](C(=O)OC)NC1=O Amb25074022 [0,1,0,1,0,0|1,0,1]=4 3708 B11R1.226 COC(=O)C1CC(=O)C(Br)C1 Amb27756219 [0,1,0,1,0,0|1,0,0]=3 3709 B11R1.226 COC(=O)C1CC(=O)N(C)C1 Amb17621654 [0,1,0,1,0,0|2,0,0]=4 3710 B11R1.226 COC(=O)C1CC(C)C(O)C1 Amb27206047 [0,1,0,1,0,0|1,0,1]=4 3711 B11R1.226 COC(=O)C1CC(N)C(O)C1 Amb25228978 [0,1,0,1,0,0|1,0,1]=4 3712 B11R1.226 COC(=O)C1CC(O)C(=O)O1 Amb27605255 [0,1,0,1,0,0|0,0,0]=2 3713 B11R1.226 COC(=O)C1CC(O)C(F)C1 Amb22898817 [0,1,0,1,0,0|1,0,1]=4 3714 B11R1.226 COC(=O)C1CC(O)C(O)C1 Amb25686051 [0,1,0,1,0,0|1,0,1]=4 3715 B11R1.226 COC(=O)C1C[C@@H](O)[C@H](Br)C1 Amb24112913 [0,1,0,1,0,0|1,0,1]=4 3716 B11R1.226 COC(=O)C1C[C@H](N)[C@@H](O)C1 Amb27457656 [0,1,0,1,0,0|1,0,1]=4 3717 B11R1.226 COC(=O)C1C[C@H](O)[C@H](O)C1 Amb25357463 [0,1,0,1,0,0|1,0,1]=4 3718 B11R1.226 COC(=O)[C@@H]1CC(O)C(=O)N1 Amb24392740 [0,1,0,1,0,0|1,0,0]=3 3719 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)N1 Amb27841236 [0,1,0,1,0,0|1,0,0]=3 3720 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)[C@H](C)O1 Amb28194278 [0,1,0,1,0,0|1,0,1]=4 3721 B11R1.226 COC(=O)[C@@H]1C[C@H](N)[C@@H](O)C1 Amb27419877 [0,1,0,1,0,0|1,0,1]=4 3722 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)N1 Amb24555635 [0,1,0,1,0,0|1,0,0]=3 3723 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb26922301 [0,1,0,1,0,0|0,0,0]=2 3724 B11R1.226 COC(=O)[C@@H]1C[C@H](O)[C@@H](F)C1 Amb28186085 [0,1,0,1,0,0|1,0,1]=4 3725 B11R1.226 COC(=O)[C@@H]1C[C@H](O)[C@H](O)C1 Amb28065366 [0,1,0,1,0,0|1,0,1]=4 3726 B11R1.226 COC(=O)[C@H]1C=C(C)[C@H](O)C1 Amb27457637 [0,1,0,1,0,0|2,0,0]=4 3727 B11R1.226 COC(=O)[C@H]1C[C@@H](N)C(=O)N1 Amb28051811 [0,1,0,1,0,0|1,0,0]=3 3728 B11R1.226 COC(=O)[C@H]1C[C@@H](N)[C@H](O)C1 Amb25263789 [0,1,0,1,0,0|1,0,1]=4 3729 B11R1.226 COC(=O)[C@H]1C[C@@H](O)C(=O)O1 Amb28249106 [0,1,0,1,0,0|0,0,0]=2 3730 B11R1.226 COC(=O)[C@H]1C[C@@H](O)[C@H](C)O1 Amb28194255 [0,1,0,1,0,0|1,0,1]=4 3731 B11R1.226 COC(=O)[C@H]1C[C@H](N)C(=O)N1 Amb27202006 [0,1,0,1,0,0|1,0,0]=3 3732 B11R1.226 COC(=O)[C@H]1C[C@H](O)[C@@H](F)C1 Amb24630860 [0,1,0,1,0,0|1,0,1]=4 3733 B11R1.226 COC(=O)[C@H]1C[C@H](O)[C@H](O)C1 Amb28065833 [0,1,0,1,0,0|1,0,1]=4 3734 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [0,1,0,1,0,0|1,0,0]=3 3735 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [0,1,0,1,0,0|2,0,0]=4 3736 B11R1.314 CC(C)C(=O)C1CCC(=O)N1 Amb25939164 [0,1,0,1,0,0|2,0,0]=4 3737 B11R1.314 CC(C)C(=O)C1CCC(=O)O1 Amb28253778 [0,1,0,1,0,0|1,0,0]=3 3738 B11R1.314 CC(C)C(=O)[C@@H]1CCC(=O)O1 Amb27260922 [0,1,0,1,0,0|1,0,0]=3 3739 B11R1.314 CC1CC(C(C)C(=O)O)CO1 Amb29866067 [0,1,0,1,0,0|1,0,1]=4 3740 B11R1.314 CC1CC(C(F)C(=O)O)CO1 Amb29866068 [0,1,0,1,0,0|1,0,1]=4 3741 B11R1.314 CC1CC(C(N)C(=O)O)CO1 Amb35660772 [0,1,0,1,0,0|1,0,1]=4 3742 B11R1.314 CC1CC(C(O)C(=O)O)CO1 Amb29850322 [0,1,0,1,0,0|1,0,1]=4 3743 B11R1.314 CN(C)C(=O)C1CCC(=O)N1 Amb27793084 [0,1,0,1,0,0|2,0,0]=4 3744 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)N1 Amb26417971 [0,1,0,1,0,0|2,0,0]=4 3745 B11R1.314 CN(C)C(=O)[C@@H]1CCC(=O)O1 Amb26405148 [0,1,0,1,0,0|1,0,0]=3 3746 B11R1.314 CN(C)C(=O)[C@H]1CCC(=O)O1 Amb26426357 [0,1,0,1,0,0|1,0,0]=3 3747 B11R1.314 CN(O)C(=O)C1CCC(=O)N1 Amb27474498 [0,1,0,1,0,0|2,0,0]=4 3748 B11R1.314 NC(=O)C(N)C1CCC(=O)C1 Amb27159565 [0,1,0,1,0,0|2,0,0]=4 3749 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,1,0,1,0,0|1,0,0]=3 3750 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,1,0,1,0,0|2,0,0]=4 3751 B11R1.314 NC(C(=O)O)C1CN=C(Cl)C1 Amb28281848 [0,1,0,1,0,0|2,0,0]=4 3752 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,1,0,1,0,0|1,0,0]=3 3753 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,1,0,1,0,0|1,0,0]=3 3754 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,1,0,1,0,0|2,0,0]=4 3755 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,1,0,1,0,0|1,0,0]=3 3756 B11R1.321 COC1CC(C(F)C(=O)O)C1 Amb28350565 [0,1,0,1,0,0|1,0,1]=4 3757 B11R1.868 CCC(=O)[C@@H]1C[C@@]1(C)C(=O)O Amb27440410 [0,1,0,1,0,0|1,0,0]=3 3758 B11R1.868 COC(=O)C1CC1(C)C(=O)O Amb27617493 [0,1,0,1,0,0|0,0,0]=2 3759 B11R1.868 COC(=O)C1CC1(C)C(C)=O Amb26477359 [0,1,0,1,0,0|1,0,0]=3 3760 B11R1.868 COC(=O)[C@@H]1C[C@]1(C)C(=O)O Amb32680275 [0,1,0,1,0,0|0,0,0]=2 3761 B11R1.1270 CC1=C(C)[C@@](C)(C(=O)O)CC1 Amb27781527 [0,1,0,1,0,0|2,0,0]=4 3762 B11R1.1270 CC1=C(C)[C@](C)(C(=O)O)CC1 Amb24739606 [0,1,0,1,0,0|2,0,0]=4 3763 B11R1.1270 CN1C(=O)CCC1(C)C(=O)O Amb23515115 [0,1,0,1,0,0|1,0,0]=3 3764 B11R1.1270 CN1C(=O)CCC1(C)C(N)=O Amb23515109 [0,1,0,1,0,0|2,0,0]=4 3765 B11R1.1270 CN1C(=O)CC[C@@]1(O)C(=O)O Amb27260856 [0,1,0,1,0,0|1,0,0]=3 3766 B11R1.153 CC(C)C(=O)CC1CC(=O)N1 Amb32676999 [0,1,0,1,0,0|2,0,0]=4 3767 B11R1.175 CC(C)C1=N[C@H](C(=O)O)CC1 Amb25152719 [0,1,0,1,0,0|2,0,0]=4 3768 B11R1.315 C=C1CCC(C(=O)O)C1(C)C Amb27666872 [0,1,0,1,0,0|2,0,0]=4 3769 B11R1.677 O=C(O)CC1CC(=O)C1(Cl)Cl Amb28249506 [0,1,0,1,0,0|2,0,0]=4 3770 B11R1.704 CN(C)C(=O)C1CC1C(=O)O Amb17606127 [0,1,0,1,0,0|1,0,0]=3 3771 B11R1.704 CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O Amb26530933 [0,1,0,1,0,0|1,0,0]=3 3772 B11R1.704 CN(C)C(=O)[C@@H]1C[C@@H]1C(N)=O Amb28062023 [0,1,0,1,0,0|2,0,0]=4 3773 B11R1.704 CN(C)C(=O)[C@@H]1C[C@H]1C(=O)O Amb27818089 [0,1,0,1,0,0|1,0,0]=3 3774 B11R1.704 CN(O)C(=O)C1CC1C(=O)O Amb27787869 [0,1,0,1,0,0|1,0,0]=3 3775 B11R2.68 O=C1N[C@@H]2C[C@H]1CCC2=O Amb27630004 [0,0,0,2,0,0|2,0,0]=4 3776 B11R2.1839 O=C(O)C12CCC(C1)OC2 Amb33620694 [0,0,0,2,0,0|1,0,1]=4 3777 B11R2.60 O=C1CCC2C(=O)CCC12 Amb2781807 [0,0,0,2,0,0|2,0,0]=4 3778 B11R2.60 O=C1OCC2C(=O)OCC12 Amb8487114 [0,0,0,2,0,0|2,0,0]=4 3779 B11R2.60 O=C1OC[C@@H]2C(O)CC[C@H]12 Amb27981491 [0,0,0,2,0,0|1,0,1]=4 3780 B11R2.60 O=C1OC[C@H]2[C@@H](O)CC[C@@H]12 Amb27427934 [0,0,0,2,0,0|1,0,1]=4 3781 B11R2.60 O=C1OC[C@H]2[C@@H]1CC[C@H]2O Amb27851474 [0,0,0,2,0,0|1,0,1]=4 3782 B11R2.66 O=C1CC2C(=O)OCC2O1 Amb27213119 [0,0,0,2,0,0|2,0,0]=4 3783 B11R2.66 O=C1CC2CCC(=O)C2O1 Amb28062982 [0,0,0,2,0,0|1,0,0]=3 3784 B11R2.66 O=C1CC2CNC(=O)C2N1 Amb27976247 [0,0,0,2,0,0|2,0,0]=4 3785 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2C1 Amb27631333 [0,0,0,2,0,0|1,0,0]=3 3786 B11R2.66 O=C1C[C@H]2COC(=O)N2C1 Amb28050525 [0,0,0,2,0,0|2,0,0]=4 3787 B11R2.66 O=C1C[C@H]2CO[C@H](O)[C@H]2O1 Amb27208045 [0,0,0,2,0,0|0,0,2]=4 3788 B11R2.66 O=C1OC2CNC(=O)C2O1 Amb32831017 [0,0,0,2,0,0|2,0,0]=4 3789 B11R2.66 O=C1OC[C@H]2C[C@@H](O)C[C@@H]12 Amb27970854 [0,0,0,2,0,0|1,0,1]=4 3790 B11R2.911 COC(=O)C1CCC2OC21 Amb25918077 [0,0,0,2,0,0|1,0,1]=4 3791 B11R2.914 COC(=O)C1CC2OC2C1 Amb18633179 [0,0,0,2,0,0|1,0,1]=4 3792 B11R2.914 COC(=O)C1C[C@@H]2O[C@@H]2C1 Amb31204614 [0,0,0,2,0,0|1,0,1]=4 3793 B11R2.914 COC(=O)C1C[C@@H]2O[C@H]2C1 Amb22756936 [0,0,0,2,0,0|1,0,1]=4 3794 B11R2.914 COC(=O)[C@H]1C[C@@H]2O[C@@H]2C1 Amb22756937 [0,0,0,2,0,0|1,0,1]=4 3795 B11R2.972 CO[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12 Amb33620687 [0,0,0,2,0,0|1,0,1]=4 3796 B11R2.139 C12CC(=O)CC1CC(=O)C2 Amb17779325 [0,0,0,2,0,0|2,0,0]=4 3797 B11R2.139 O=C1CC2CC(=O)CC2C1 Amb21520316 [0,0,0,2,0,0|2,0,0]=4 3798 B11R2.139 O=C1CC2CC(O)CC2O1 Amb27646561 [0,0,0,2,0,0|1,0,1]=4 3799 B11R2.139 O=C1C[C@@H]2C[C@H](O)C[C@@H]2O1 Amb28062968 [0,0,0,2,0,0|1,0,1]=4 3800 B11R2.139 O=C1C[C@@H]2C[C@H](O)C[C@H]2O1 Amb2684309 [0,0,0,2,0,0|1,0,1]=4 3801 B11R2.139 O=C1C[C@H]2C[C@@H](O)C[C@H]2O1 Amb22801805 [0,0,0,2,0,0|1,0,1]=4 3802 B11R2.530 O=C(O)C1C2CCC(=O)C21 Amb25263963 [0,0,0,2,0,0|1,0,0]=3 3803 B11R2.530 O=C(O)[C@@H]1[C@H]2C(=O)CC[C@@H]12 Amb25970058 [0,0,0,2,0,0|1,0,0]=3 3804 B11R2.530 O=C(O)[C@@H]1[C@H]2CCC(=O)[C@H]21 Amb25174904 [0,0,0,2,0,0|1,0,0]=3 3805 B11R2.530 O=C(O)[C@@H]1[C@H]2COC(=O)[C@H]21 Amb27815456 [0,0,0,2,0,0|0,0,0]=2 3806 B11R2.113 O=C1CC(C2CCC2=O)N1 Amb32679327 [0,0,0,2,0,0|2,0,0]=4 3807 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [1,0,0,0,1,0|1,0,1]=4 3808 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [1,0,0,0,1,0|1,0,0]=3 3809 B7R0.6 C=C(C)CCC(C)=O Amb9024770 [1,0,0,0,1,0|2,0,0]=4 3810 B7R0.6 C=C(C)CCC(N)=O Amb27838318 [1,0,0,0,1,0|2,0,0]=4 3811 B7R0.6 C=C(C)NCC(=O)O Amb9173757 [1,0,0,0,1,0|2,0,0]=4 3812 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [1,0,0,0,1,0|1,0,1]=4 3813 B7R0.6 C=C(Cl)CCC(C)=O Amb28316194 [1,0,0,0,1,0|2,0,0]=4 3814 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [1,0,0,0,1,0|1,0,1]=4 3815 B7R0.6 CC(=O)CCB(O)O Amb25095502 [1,0,0,0,1,0|1,0,1]=4 3816 B7R0.6 CC(=O)CCC(=O)O Amb534169 [1,0,0,0,1,0|0,0,0]=2 3817 B7R0.6 CC(=O)CCC(=S)Cl Amb28049019 [1,0,0,0,1,0|1,1,0]=4 3818 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [1,0,0,0,1,0|1,0,0]=3 3819 B7R0.6 CC(=O)CCC(C)=S Amb27226729 [1,0,0,0,1,0|1,1,0]=4 3820 B7R0.6 CC(=O)CCC(C)O Amb25829594 [1,0,0,0,1,0|1,0,1]=4 3821 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [1,0,0,0,1,0|1,0,0]=3 3822 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [1,0,0,0,1,0|0,1,0]=3 3823 B7R0.6 CC(=O)CC[C@@H](C)O Amb22351150 [1,0,0,0,1,0|1,0,1]=4 3824 B7R0.6 CC(=O)CC[N+](=O)[O-] Amb18198961 [1,0,0,0,1,0|1,0,1]=4 3825 B7R0.6 CC(=O)CNC(C)=O Amb6297294 [1,0,0,0,1,0|2,0,0]=4 3826 B7R0.6 CC(=O)COC(C)=O Amb8517567 [1,0,0,0,1,0|2,0,0]=4 3827 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,0,0,0,1,0|1,0,0]=3 3828 B7R0.6 CC(=O)NCC(N)=O Amb17231824 [1,0,0,0,1,0|2,0,0]=4 3829 B7R0.6 CC(=O)OCC(=O)Cl Amb3939160 [1,0,0,0,1,0|2,0,0]=4 3830 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,0,0,0,1,0|1,0,0]=3 3831 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [1,0,0,0,1,0|2,0,0]=4 3832 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [1,0,0,0,1,0|2,0,0]=4 3833 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [1,0,0,0,1,0|2,0,0]=4 3834 B7R0.6 CC(=O)\C=C\C(=O)O Amb2722867 [1,0,0,0,1,0|0,0,2]=4 3835 B7R0.6 CC(=O)\N=C\C(=O)O Amb27262053 [1,0,0,0,1,0|1,0,1]=4 3836 B7R0.6 CC(=S)NCC(=O)O Amb24325138 [1,0,0,0,1,0|1,1,0]=4 3837 B7R0.6 CC(=S)SCC(=O)O Amb25963237 [1,0,0,0,1,0|1,1,0]=4 3838 B7R0.6 CC(Br)CCC(=O)O Amb18124528 [1,0,0,0,1,0|1,0,1]=4 3839 B7R0.6 CC(C)=CCC(=O)O Amb6274419 [1,0,0,0,1,0|1,0,1]=4 3840 B7R0.6 CC(C)CCC(=O)O Amb1153016 [1,0,0,0,1,0|1,0,1]=4 3841 B7R0.6 CC(I)CCC(=O)O Amb25938596 [1,0,0,0,1,0|1,0,1]=4 3842 B7R0.6 CC(N)CCC(=O)O Amb17593212 [1,0,0,0,1,0|1,0,1]=4 3843 B7R0.6 CC(N)CCC(=O)O Amb19515603 [1,0,0,0,1,0|1,0,1]=4 3844 B7R0.6 CC(O)CCC(=O)O Amb18294804 [1,0,0,0,1,0|0,0,2]=4 3845 B7R0.6 CC(S)CCC(=O)O Amb8471198 [1,0,0,0,1,0|0,1,1]=4 3846 B7R0.6 CN(C)CCC(=O)O Amb19888182 [1,0,0,0,1,0|2,0,0]=4 3847 B7R0.6 CN(C)CCC(=O)O Amb6633385 [1,0,0,0,1,0|2,0,0]=4 3848 B7R0.6 CN(N)CCC(=O)O Amb2698078 [1,0,0,0,1,0|2,0,0]=4 3849 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [1,0,0,0,1,0|1,0,0]=3 3850 B7R0.6 CS(=O)NCC(=O)O Amb25237322 [1,0,0,0,1,0|2,0,0]=4 3851 B7R0.6 C[C@@H](N)CCC(=O)O Amb25960628 [1,0,0,0,1,0|1,0,1]=4 3852 B7R0.6 C[C@@H](N)CCC(=O)O Amb35753110 [1,0,0,0,1,0|1,0,1]=4 3853 B7R0.6 C[C@H](N)CCC(=O)O Amb25047328 [1,0,0,0,1,0|1,0,1]=4 3854 B7R0.6 C[C@H](N)CCC(=O)O Amb35752545 [1,0,0,0,1,0|1,0,1]=4 3855 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [1,0,0,0,1,0|0,0,2]=4 3856 B7R0.6 C[C@H](S)CCC(=O)O Amb27170326 [1,0,0,0,1,0|0,1,1]=4 3857 B7R0.6 C[S+](C)CCC(=O)O Amb8390782 [1,0,0,0,1,0|2,0,0]=4 3858 B7R0.6 C\C(Cl)=C\CC(=O)O Amb27975492 [1,0,0,0,1,0|1,0,1]=4 3859 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [1,0,0,0,1,0|2,0,0]=4 3860 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [1,0,0,0,1,0|1,0,0]=3 3861 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [1,0,0,0,1,0|2,0,0]=4 3862 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [1,0,0,0,1,0|2,0,0]=4 3863 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [1,0,0,0,1,0|1,1,0]=4 3864 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [1,0,0,0,1,0|2,0,0]=4 3865 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [1,0,0,0,1,0|0,0,2]=4 3866 B7R0.6 O=C(O)CCB(O)O Amb24640288 [1,0,0,0,1,0|1,0,1]=4 3867 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [1,0,0,0,1,0|0,0,0]=2 3868 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [1,0,0,0,1,0|0,0,0]=2 3869 B7R0.6 O=C(O)CCP(O)O Amb27424479 [1,0,0,0,1,0|1,0,1]=4 3870 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [1,0,0,0,1,0|1,0,0]=3 3871 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [1,0,0,0,1,0|1,0,1]=4 3872 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [1,0,0,0,1,0|1,0,1]=4 3873 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [1,0,0,0,1,0|1,1,0]=4 3874 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [1,0,0,0,1,0|2,0,0]=4 3875 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [1,0,0,0,1,0|0,0,2]=4 3876 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [1,0,0,0,1,0|0,0,2]=4 3877 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [1,0,0,0,1,0|0,0,2]=4 3878 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [1,0,0,0,1,0|0,0,2]=4 3879 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [1,0,0,0,1,0|0,0,2]=4 3880 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [1,0,0,0,1,0|2,0,0]=4 3881 B7R0.2 C=C(CC)CC(=O)O Amb18641782 [0,0,0,0,2,0|2,0,0]=4 3882 B7R0.2 CCC(=O)CC(=O)O Amb18641869 [0,0,0,0,2,0|1,0,0]=3 3883 B7R0.2 CCC(=O)CC(C)=O Amb9775078 [0,0,0,0,2,0|2,0,0]=4 3884 B7R0.2 CCC(=O)CC(N)=O Amb8384375 [0,0,0,0,2,0|2,0,0]=4 3885 B7R0.2 CCS(=O)CC(=O)O Amb10608063 [0,0,0,0,2,0|2,0,0]=4 3886 B7R0.2 CNC(=O)CC(=O)O Amb33529761 [0,0,0,0,2,0|1,0,0]=3 3887 B7R0.2 CNC(=O)CC(=O)[O-] Amb35747299 [0,0,0,0,2,0|1,0,1]=4 3888 B7R0.2 CNC(=O)CC(C)=O Amb6891968 [0,0,0,0,2,0|2,0,0]=4 3889 B7R0.2 COC(=O)CC(=N)N Amb18831173 [0,0,0,0,2,0|2,0,0]=4 3890 B7R0.2 COC(=O)CC(=N)N Amb19516886 [0,0,0,0,2,0|2,0,0]=4 3891 B7R0.2 COC(=O)CC(=O)Cl Amb3939073 [0,0,0,0,2,0|1,0,0]=3 3892 B7R0.2 COC(=O)CC(=O)O Amb16232032 [0,0,0,0,2,0|0,0,0]=2 3893 B7R0.2 COC(=O)CC(=O)[O-] Amb2780363 [0,0,0,0,2,0|0,0,1]=3 3894 B7R0.2 COC(=O)CC(=O)[O-] Amb34915950 [0,0,0,0,2,0|0,0,1]=3 3895 B7R0.2 COC(=O)CC(C)=O Amb6608655 [0,0,0,0,2,0|1,0,0]=3 3896 B7R0.2 COC(=O)CC(C)O Amb9277785 [0,0,0,0,2,0|1,0,1]=4 3897 B7R0.2 COC(=O)CC(N)=O Amb22043417 [0,0,0,0,2,0|1,0,0]=3 3898 B7R0.2 COC(=O)CC(N)=S Amb6254935 [0,0,0,0,2,0|1,1,0]=4 3899 B7R0.2 COC(=O)CN(=O)=O Amb20621013 [0,0,0,0,2,0|1,0,1]=4 3900 B7R0.2 COC(=O)CN(C)O Amb28411029 [0,0,0,0,2,0|2,0,0]=4 3901 B7R0.2 COC(=O)CS(=O)Cl Amb26599559 [0,0,0,0,2,0|2,0,0]=4 3902 B7R0.2 COC(=O)CS(=O)[O-] Amb27191884 [0,0,0,0,2,0|1,0,1]=4 3903 B7R0.2 COC(=O)CS(C)=O Amb20626166 [0,0,0,0,2,0|2,0,0]=4 3904 B7R0.2 COC(=O)CS(N)=O Amb32720320 [0,0,0,0,2,0|2,0,0]=4 3905 B7R0.2 COC(=O)C[C@@H](C)O Amb2725551 [0,0,0,0,2,0|1,0,1]=4 3906 B7R0.2 COC(=O)C[C@H](C)O Amb8397299 [0,0,0,0,2,0|1,0,1]=4 3907 B7R0.2 COC(=O)C[N+](=O)[O-] Amb1101938 [0,0,0,0,2,0|1,0,1]=4 3908 B7R0.2 COC(=S)CC(N)=O Amb27230798 [0,0,0,0,2,0|1,1,0]=4 3909 B7R0.2 COC(C)CC(=O)O Amb4001695 [0,0,0,0,2,0|1,0,1]=4 3910 B7R0.2 CON(C)CC(=O)O Amb8010467 [0,0,0,0,2,0|2,0,0]=4 3911 B7R0.2 CO[C@H](C)CC(=O)O Amb27266082 [0,0,0,0,2,0|1,0,1]=4 3912 B7R0.2 CO\C(C)=C/C(=O)O Amb2611888 [0,0,0,0,2,0|1,0,1]=4 3913 B7R0.2 CO\C(C)=C\C(=O)O Amb27631657 [0,0,0,0,2,0|1,0,1]=4 3914 B7R0.2 C\C=C(\Cl)CC(=O)O Amb25174797 [0,0,0,0,2,0|2,0,0]=4 3915 B7R0.2 NNC(=O)CC(=O)O Amb25073925 [0,0,0,0,2,0|2,0,0]=4 3916 B7R0.2 O=C(O)CC(=O)CCl Amb18124484 [0,0,0,0,2,0|2,0,0]=4 3917 B11R0.111 CCC(=O)CCCCCC(=O)O Amb6305228 [0,0,0,0,0,2|1,0,0]=3 3918 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [0,0,0,0,0,2|0,0,0]=2 3919 B11R0.111 COC(=O)CCCCCC(=O)[O-] Amb34915140 [0,0,0,0,0,2|0,0,1]=3 3920 B11R0.111 COC(=O)CCCCCS(=O)Cl Amb32720463 [0,0,0,0,0,2|2,0,0]=4 3921 B11R0.111 COC(=O)CCCCCS(=O)[O-] Amb32754397 [0,0,0,0,0,2|1,0,1]=4 3922 B11R0.111 COC(=O)CCCCCS(N)=O Amb32720464 [0,0,0,0,0,2|2,0,0]=4 3923 B11R0.111 COC(=O)CCCSCC(N)=S Amb17503398 [0,0,0,0,0,2|1,1,0]=4