0 B10R0.3 C=C(C)CCCC(=O)OCC Amb6298922 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.3 C=C(Cl)CCCC(=O)OCC Amb6298914 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.3 CCCC(=O)CCCC(=O)O Amb6305240 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.3 CCCC(=O)NCCC(=O)O Amb5741938 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.3 CCCC(=O)NCCS(C)=O Amb24073122 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.3 CCCC(=O)N\C=C/C(=O)O Amb27974152 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.3 CCCC(=O)N\C=C\C(=O)O Amb28057486 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.3 CCCC(C)CCCC(=O)O Amb20669051 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.3 CCCC(C)CCCC(C)=O Amb32668762 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.3 CCCC(C)CCOC(C)=O Amb24087389 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.3 CCCC(S)CCOC(C)=O Amb10071332 [0,0,0,0,0,0|2,1,1]=4 11 B10R0.3 CCNC(=N)NCCC(N)=O Amb18182364 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.3 CCNC(=O)CCCC(=O)O Amb3365014 [0,0,0,0,0,0|1,0,0]=1 13 B10R0.3 CCNC(=O)CONC(C)=O Amb27270548 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.3 CCNC(=O)CONC(N)=O Amb27270549 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.3 CCNC(=O)NCCC(=N)N Amb27987101 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.3 CCNC(=O)NCCC(=O)O Amb1136873 [0,0,0,0,0,0|2,0,0]=2 17 B10R0.3 CCNC(=O)NCCC(C)O Amb27266736 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.3 CCNC(=O)NCCC(N)=S Amb18183967 [0,0,0,0,0,0|3,1,0]=4 19 B10R0.3 CCNC(=O)NCCS(C)=O Amb28387552 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.3 CCNC(=O)NCC[C@@H](C)O Amb28352070 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.3 CCNC(=O)NCC[C@H](C)O Amb28352071 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.3 CCNC(=O)NOCC(N)=O Amb27269661 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.3 CCNC(=S)NCCC(N)=O Amb27266873 [0,0,0,0,0,0|3,1,0]=4 24 B10R0.3 CCOC(=O)CCCC(=O)Cl Amb6608947 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.3 CCOC(=O)CCCC(=O)O Amb3939878 [0,0,0,0,0,0|1,0,0]=1 26 B10R0.3 CCOC(=O)CCCC(C)=O Amb4605993 [0,0,0,0,0,0|2,0,0]=2 27 B10R0.3 CCOC(=O)CCCC(C)C Amb33734423 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.3 CCOC(=O)CCCC(C)N Amb33803847 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.3 CCOC(=O)CCCC(C)O Amb30982937 [0,0,0,0,0,0|2,0,1]=3 30 B10R0.3 CCOC(=O)CCCN(C)C Amb2782901 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.3 CCOC(=O)CCCS(=O)Cl Amb32720324 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.3 CCOC(=O)CCCS(=O)[O-] Amb32754209 [0,0,0,0,0,0|2,0,1]=3 33 B10R0.3 CCOC(=O)CCCS(N)=O Amb32720325 [0,0,0,0,0,0|3,0,0]=3 34 B10R0.3 CCOC(=O)CCNC(N)=O Amb4035329 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.3 CCOC(=O)CNCC(N)=O Amb6714658 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.3 CCOC(=O)CNNC(C)=O Amb24103449 [0,0,0,0,0,0|4,0,0]=4 37 B10R0.3 CCOC(=O)NCCC(=O)O Amb6247333 [0,0,0,0,0,0|2,0,0]=2 38 B10R0.3 CCOC(=O)N\N=C\C(=O)O Amb26660453 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.3 CCOC(C)CCCC(=O)O Amb33425000 [0,0,0,0,0,0|2,0,1]=3 40 B10R0.3 CN(CCN)CCCC(=O)O Amb32684701 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.3 CN(CCN)CCCC(=O)O Amb32684702 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.3 CN(CCO)CCCC(=O)Cl Amb17142983 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.3 CN(CCO)CCCC(=O)O Amb5767540 [0,0,0,0,0,0|3,0,0]=3 44 B10R0.3 CN(CCO)CCCC(N)=O Amb17142896 [0,0,0,0,0,0|4,0,0]=4 45 B10R0.3 COCC(=O)NCCC(=O)O Amb1121155 [0,0,0,0,0,0|2,0,0]=2 46 B10R0.3 CONC(=O)CCNC(C)=O Amb16970858 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.3 C\C=C\C(=O)NCCC(=O)O Amb9722353 [0,0,0,0,0,0|1,0,2]=3 48 B10R0.3 C\C=C\C(=O)NOCC(=O)O Amb27269915 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 N#CCC(=O)NCCC(N)=O Amb9416051 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.3 NCCC(=O)NCCC(=O)O Amb533809 [0,0,0,0,0,0|2,0,0]=2 51 B10R0.3 O=C(O)CCNC(=O)\C=C\Cl Amb7969475 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.1 C=C(Br)CCCC(=O)OC Amb24717516 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.1 C=C(C)CCCC(=O)OC Amb25995990 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.1 C=C(C)CCOC(=O)CC Amb27770403 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.1 C=C(CC)CNCC(=O)O Amb27661467 [1,0,0,0,0,0|2,0,0]=3 56 B9R0.1 C=CC(=O)CCCC(=O)O Amb27770363 [1,0,0,0,0,0|0,0,2]=3 57 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,0,0,0,0,0|1,0,2]=4 58 B9R0.1 C=CC(=O)NCCC(=O)O Amb6257105 [1,0,0,0,0,0|1,0,2]=4 59 B9R0.1 C=CC(=O)OCCC(=O)O Amb18644058 [1,0,0,0,0,0|1,0,2]=4 60 B9R0.1 CC(=O)CCCC(=O)NO Amb27980256 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.1 CC(=O)SCCC(=O)CCl Amb24436675 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.1 CCC(=N)NCCC(N)=O Amb27181001 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.1 CCC(=O)CCCC(C)C Amb9031663 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.1 CCC(=O)CCCN(C)C Amb27960845 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.1 CCC(=O)CCC[N+](=O)[O-] Amb27636062 [1,0,0,0,0,0|1,0,1]=3 67 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,0,0,0,0,0|1,0,0]=2 68 B9R0.1 CCC(=O)NCCC(C)=O Amb17102869 [1,0,0,0,0,0|2,0,0]=3 69 B9R0.1 CCC(=O)NCCC(N)=O Amb17231982 [1,0,0,0,0,0|2,0,0]=3 70 B9R0.1 CCC(=O)NCCC(N)=S Amb17232333 [1,0,0,0,0,0|2,1,0]=4 71 B9R0.1 CCC(=O)NOCC(N)=O Amb27390237 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.1 CCC(=O)OCOC(=O)Cl Amb25212596 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [1,0,0,0,0,0|1,0,0]=2 75 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [1,0,0,0,0,0|1,0,1]=3 76 B9R0.1 CCC(C)CCCC(C)=O Amb24424926 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.1 CCC(C)COCC(=O)O Amb28368866 [1,0,0,0,0,0|2,0,1]=4 78 B9R0.1 CCC(C)OCCC(=O)O Amb27947378 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [1,0,0,0,0,0|0,0,2]=3 80 B9R0.1 CCC(O)CSCC(=O)O Amb18792573 [1,0,0,0,0,0|1,0,2]=4 81 B9R0.1 CCN(C)CCCC(C)=O Amb9659156 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.1 CCS(=O)CCNC(C)=O Amb27616407 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.1 CCS(=O)CCNC(N)=O Amb27806812 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.1 CCS(=O)NOCC(=O)O Amb27249429 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.1 CC[C@@H](O)CCCC(C)=O Amb27227255 [1,0,0,0,0,0|1,0,2]=4 87 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [1,0,0,0,0,0|1,0,1]=3 88 B9R0.1 CC\C(C)=C\CCC(=O)O Amb27474810 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.1 CC\C(C)=C\CCC(C)=O Amb2721172 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.1 CNC(=N)NCCC(=O)O Amb26014274 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.1 CNC(=O)CCCC(=O)[O-] Amb24271120 [1,0,0,0,0,0|1,0,1]=3 92 B9R0.1 CNC(=O)CNCC(=O)O Amb8943036 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.1 CNC(=O)CNCC(C)=O Amb27789643 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.1 CNC(=O)CSCC(=O)O Amb6251930 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.1 CNC(=O)CSCC(N)=O Amb27170981 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,0,0,0,0,0|2,0,0]=3 98 B9R0.1 CNC(=O)NOCC(=O)O Amb27970392 [1,0,0,0,0,0|3,0,0]=4 99 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.1 COC(=O)CCCC(=O)Cl Amb3939328 [1,0,0,0,0,0|2,0,0]=3 101 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [1,0,0,0,0,0|1,0,0]=2 102 B9R0.1 COC(=O)CCCC(=O)[O-] Amb33948529 [1,0,0,0,0,0|1,0,1]=3 103 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,0,0,0,0,0|2,0,0]=3 104 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.1 COC(=O)CCCC(N)=O Amb27882411 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,0,0,0,0,0|2,1,0]=4 107 B9R0.1 COC(=O)CCCS(=O)Cl Amb26409514 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.1 COC(=O)CCCS(=O)[O-] Amb25914636 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.1 COC(=O)CCCS(N)=O Amb32720319 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.1 COC(=O)CCC[C@H](C)O Amb27839593 [1,0,0,0,0,0|2,0,1]=4 112 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [1,0,0,0,0,0|2,0,1]=4 113 B9R0.1 COC(=O)CCNC(C)=O Amb15691935 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.1 COC(=O)CCOC(C)=O Amb27972208 [1,0,0,0,0,0|3,0,0]=4 116 B9R0.1 COC(=O)CCSC(=O)Cl Amb26446360 [1,0,0,0,0,0|3,0,0]=4 117 B9R0.1 COC(=O)CCSC(N)=O Amb28254662 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.1 COC(=O)CNCC(=O)O Amb7766422 [1,0,0,0,0,0|2,0,0]=3 119 B9R0.1 COC(=O)COCC(=O)O Amb25305044 [1,0,0,0,0,0|2,0,0]=3 120 B9R0.1 COC(=O)COCC(C)=O Amb8392403 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.1 COC(=O)CSCC(=O)O Amb33532171 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.1 COC(=O)CSCC(C)=O Amb2444691 [1,0,0,0,0,0|3,0,0]=4 123 B9R0.1 COC(=O)NCCC(=O)O Amb6468177 [1,0,0,0,0,0|2,0,0]=3 124 B9R0.1 COC(=O)OCCC(C)=O Amb28049880 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.1 COC(=S)SCCC(=O)O Amb27983821 [1,0,0,0,0,0|2,1,0]=4 126 B9R0.1 CON(C)CCCC(=O)O Amb28126925 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.1 CSC(=N)NCCC(=O)O Amb28193743 [1,0,0,0,0,0|3,0,0]=4 128 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.1 N=C(CN)NCCC(=O)O Amb28346899 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.1 NC(=O)CCNC(=O)CBr Amb27786158 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.1 NC(=O)CCNC(=O)CCl Amb9415901 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.1 NC(=O)CCNC(=O)CS Amb27981235 [1,0,0,0,0,0|3,0,0]=4 133 B9R0.1 NC(=O)CCOC(=O)CO Amb28136694 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [1,0,0,0,0,0|1,0,0]=2 136 B9R0.1 NCC(=O)CNCC(=O)O Amb27979091 [1,0,0,0,0,0|2,0,0]=3 137 B9R0.1 NCC(=O)NCCC(=O)O Amb4018061 [1,0,0,0,0,0|2,0,0]=3 138 B9R0.1 NCC(=O)ONCC(=O)O Amb27625948 [1,0,0,0,0,0|3,0,0]=4 139 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [1,0,0,0,0,0|1,0,0]=2 142 B9R0.1 O=C(O)CCCC(=O)NO Amb27494720 [1,0,0,0,0,0|2,0,0]=3 143 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.1 O=C(O)CCNC(=O)CBr Amb17609911 [1,0,0,0,0,0|2,0,0]=3 145 B9R0.1 O=C(O)CCNC(=O)CCl Amb2781692 [1,0,0,0,0,0|2,0,0]=3 146 B9R0.1 O=C(O)CCNC(=O)CO Amb24478846 [1,0,0,0,0,0|2,0,0]=3 147 B9R0.2 C#CCCCCCC(=O)O Amb22232010 [1,0,0,0,0,0|0,0,3]=4 148 B9R0.2 C#CCOCCCC(=O)O Amb9208659 [1,0,0,0,0,0|1,0,2]=4 149 B9R0.2 C#CCSCCCC(=O)O Amb17503626 [1,0,0,0,0,0|1,0,2]=4 150 B9R0.2 C#C\C=C\CCCC(=O)O Amb27227921 [1,0,0,0,0,0|0,0,3]=4 151 B9R0.2 C=C(C)CCCCCCC Amb6298940 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [1,0,0,0,0,0|0,0,3]=4 153 B9R0.2 C=CCOCCCC(=O)O Amb33531507 [1,0,0,0,0,0|1,0,2]=4 154 B9R0.2 C=CCSCCCC(=O)O Amb27392354 [1,0,0,0,0,0|1,0,2]=4 155 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [1,0,0,0,0,0|0,0,3]=4 156 B9R0.2 CC(=O)CCCCCCN Amb25147578 [1,0,0,0,0,0|2,0,1]=4 157 B9R0.2 CC(=O)CCCCCCN Amb32663700 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.2 CC(=O)CCCSCCO Amb9660259 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.2 CCC#CCCCC(=O)O Amb27628844 [1,0,0,0,0,0|0,0,2]=3 160 B9R0.2 CCC#CCCCC(C)=O Amb27836855 [1,0,0,0,0,0|1,0,2]=4 161 B9R0.2 CCC#CCOCC(=O)O Amb27425006 [1,0,0,0,0,0|1,0,2]=4 162 B9R0.2 CCCC#CCCC(=O)O Amb27663886 [1,0,0,0,0,0|0,0,2]=3 163 B9R0.2 CCCC#CCCC(N)=O Amb28054810 [1,0,0,0,0,0|1,0,2]=4 164 B9R0.2 CCCC=C=CCC(=O)O Amb27814505 [1,0,0,0,0,0|0,0,2]=3 165 B9R0.2 CCCCC#CCC(=O)O Amb26327934 [1,0,0,0,0,0|0,0,3]=4 166 B9R0.2 CCCCCC#CC(=O)O Amb2778506 [1,0,0,0,0,0|0,0,3]=4 167 B9R0.2 CCCCCCCB(O)O Amb13890611 [1,0,0,0,0,0|1,0,2]=4 168 B9R0.2 CCCCCCCC(=O)Cl Amb3940245 [1,0,0,0,0,0|1,0,1]=3 169 B9R0.2 CCCCCCCC(=O)O Amb3940371 [1,0,0,0,0,0|0,0,1]=2 170 B9R0.2 CCCCCCCC(=O)S Amb10561702 [1,0,0,0,0,0|0,1,1]=3 171 B9R0.2 CCCCCCCC(=O)[O-] Amb33756883 [1,0,0,0,0,0|0,0,2]=3 172 B9R0.2 CCCCCCCC(=O)[O-] Amb8515835 [1,0,0,0,0,0|0,0,2]=3 173 B9R0.2 CCCCCCCC(C)=O Amb6891951 [1,0,0,0,0,0|1,0,1]=3 174 B9R0.2 CCCCCCCC(N)=O Amb8999028 [1,0,0,0,0,0|1,0,1]=3 175 B9R0.2 CCCCCCCP(O)O Amb28042243 [1,0,0,0,0,0|1,0,2]=4 176 B9R0.2 CCCCCCCS(=O)Cl Amb32720351 [1,0,0,0,0,0|2,0,1]=4 177 B9R0.2 CCCCCCCS(=O)[O-] Amb32754186 [1,0,0,0,0,0|1,0,2]=4 178 B9R0.2 CCCCCCCS(N)=O Amb32720352 [1,0,0,0,0,0|2,0,1]=4 179 B9R0.2 CCCCCCC[C@@H](C)O Amb22362646 [1,0,0,0,0,0|1,0,2]=4 180 B9R0.2 CCCCCCC[C@H](C)O Amb22362633 [1,0,0,0,0,0|1,0,2]=4 181 B9R0.2 CCCCCCC[N+](=O)[O-] Amb17672611 [1,0,0,0,0,0|1,0,2]=4 182 B9R0.2 CCCCCCNC(C)=O Amb3368460 [1,0,0,0,0,0|2,0,1]=4 183 B9R0.2 CCCCCCNC(N)=O Amb23569596 [1,0,0,0,0,0|2,0,1]=4 184 B9R0.2 CCCCCCOC(=O)Cl Amb10070637 [1,0,0,0,0,0|2,0,1]=4 185 B9R0.2 CCCCCCOC(C)=O Amb8513414 [1,0,0,0,0,0|2,0,1]=4 186 B9R0.2 CCCCCCOC(N)=O Amb22495526 [1,0,0,0,0,0|2,0,1]=4 187 B9R0.2 CCCCCCSC(=O)Cl Amb28421765 [1,0,0,0,0,0|2,0,1]=4 188 B9R0.2 CCCCCCSC(C)=O Amb27837874 [1,0,0,0,0,0|2,0,1]=4 189 B9R0.2 CCCCCNCC(N)=O Amb6708061 [1,0,0,0,0,0|2,0,1]=4 190 B9R0.2 CCCCCOCC(=O)O Amb8902706 [1,0,0,0,0,0|1,0,1]=3 191 B9R0.2 CCCCCSCC(=O)O Amb6249571 [1,0,0,0,0,0|1,0,1]=3 192 B9R0.2 CCCCNCCC(=O)O Amb7755713 [1,0,0,0,0,0|1,0,1]=3 193 B9R0.2 CCCCNCCC(C)=O Amb26381876 [1,0,0,0,0,0|2,0,1]=4 194 B9R0.2 CCCCNCCC(N)=O Amb8841106 [1,0,0,0,0,0|2,0,1]=4 195 B9R0.2 CCCCOCCC(N)=O Amb27480748 [1,0,0,0,0,0|2,0,1]=4 196 B9R0.2 CCCCSCCC(=O)O Amb1032992 [1,0,0,0,0,0|1,0,1]=3 197 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [1,0,0,0,0,0|0,0,3]=4 198 B9R0.2 CCCNCCCC(=O)O Amb1109953 [1,0,0,0,0,0|1,0,0]=2 199 B9R0.2 CCCNCCOC(N)=O Amb27828395 [1,0,0,0,0,0|3,0,0]=4 200 B9R0.2 CCCOCCCC(=N)N Amb8874875 [1,0,0,0,0,0|3,0,0]=4 201 B9R0.2 CCCOCCCC(=O)O Amb8874517 [1,0,0,0,0,0|1,0,0]=2 202 B9R0.2 CCCOCCCC(N)=S Amb8874843 [1,0,0,0,0,0|2,1,0]=4 203 B9R0.2 CCCOCCOC(=O)Cl Amb26963668 [1,0,0,0,0,0|3,0,0]=4 204 B9R0.2 CCCOCCOC(C)=O Amb25354004 [1,0,0,0,0,0|3,0,0]=4 205 B9R0.2 CCCOCCOC(N)=O Amb27265626 [1,0,0,0,0,0|3,0,0]=4 206 B9R0.2 CCCONCCC(=O)O Amb27233908 [1,0,0,0,0,0|2,0,0]=3 207 B9R0.2 CCCSCCCC(=O)O Amb6680215 [1,0,0,0,0,0|1,0,0]=2 208 B9R0.2 CCCSCCCC(C)=O Amb9660304 [1,0,0,0,0,0|2,0,0]=3 209 B9R0.2 CCCSCCNC(N)=O Amb28345909 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [1,0,0,0,0,0|0,0,1]=2 211 B9R0.2 CCC\C=C/COC(N)=O Amb27413052 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.2 CCC\C=C\C=C\C(=O)O Amb32953792 [1,0,0,0,0,0|0,0,3]=4 213 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [1,0,0,0,0,0|0,0,1]=2 214 B9R0.2 CCC\C=C\CCC(C)=O Amb33359154 [1,0,0,0,0,0|1,0,1]=3 215 B9R0.2 CCC\C=C\CCC(C)O Amb33424849 [1,0,0,0,0,0|1,0,2]=4 216 B9R0.2 CCC\C=C\CCC(N)=O Amb27493443 [1,0,0,0,0,0|1,0,1]=3 217 B9R0.2 CCC\C=C\CC[C@@H](C)O Amb33424845 [1,0,0,0,0,0|1,0,2]=4 218 B9R0.2 CCC\C=C\CC[C@H](C)O Amb33424847 [1,0,0,0,0,0|1,0,2]=4 219 B9R0.2 CCC\C=C\CC[N+](=O)[O-] Amb33424827 [1,0,0,0,0,0|1,0,2]=4 220 B9R0.2 CCC\C=C\COC(C)=O Amb8515402 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.2 CCC\C=N\NCC(=O)O Amb27432508 [1,0,0,0,0,0|2,0,0]=3 222 B9R0.2 CCC\C=N\NCC(N)=O Amb27853075 [1,0,0,0,0,0|3,0,0]=4 223 B9R0.2 CCC\C=N\OCC(N)=O Amb27255660 [1,0,0,0,0,0|3,0,0]=4 224 B9R0.2 CCNCCCCC(=O)O Amb24385094 [1,0,0,0,0,0|1,0,1]=3 225 B9R0.2 CCNCCCCC(=O)O Amb32686610 [1,0,0,0,0,0|1,0,1]=3 226 B9R0.2 CCNCCCCC(C)=O Amb27951143 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.2 CCNCCCCC(N)=O Amb27964384 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.2 CCOCCCCC(=O)O Amb9207786 [1,0,0,0,0,0|1,0,1]=3 229 B9R0.2 CCOCCCCC(C)=O Amb9659807 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.2 CCOCCOCC(=O)O Amb6258165 [1,0,0,0,0,0|2,0,1]=4 231 B9R0.2 CCOCSCCC(=O)O Amb27447358 [1,0,0,0,0,0|2,0,1]=4 232 B9R0.2 CCONCCCC(=O)O Amb27839067 [1,0,0,0,0,0|2,0,0]=3 233 B9R0.2 CCSCCCCC(=O)O Amb7782874 [1,0,0,0,0,0|1,0,1]=3 234 B9R0.2 CCSCCSCC(=O)O Amb28126747 [1,0,0,0,0,0|2,0,1]=4 235 B9R0.2 CC\C=C\CCOC(C)=O Amb9134795 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.2 CC\C=C\CNCC(=O)O Amb27422845 [1,0,0,0,0,0|1,0,1]=3 237 B9R0.2 CNCCCCCC(C)=O Amb25728176 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.2 CNCCCCCC(N)=O Amb27625362 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.2 CNCCOCCC(=O)O Amb18111840 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.2 CNCCSCCC(=O)O Amb27442544 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.2 COCCCCCC(=O)O Amb10607872 [1,0,0,0,0,0|1,0,1]=3 242 B9R0.2 COCCCCCC(C)=O Amb27227265 [1,0,0,0,0,0|2,0,1]=4 243 B9R0.2 COCCCOCC(=O)O Amb25304314 [1,0,0,0,0,0|2,0,1]=4 244 B9R0.2 COCCNCCC(=O)O Amb33527038 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.2 COCCNCCC(=O)O Amb7755691 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.2 COCCOCCC(=O)O Amb6268336 [1,0,0,0,0,0|2,0,1]=4 247 B9R0.2 CO\N=C\CCCC(C)=O Amb27267149 [1,0,0,0,0,0|3,0,0]=4 248 B9R0.2 CSCCCCCC(=O)O Amb27444761 [1,0,0,0,0,0|1,0,1]=3 249 B9R0.2 CSCCCNCC(=O)O Amb8827601 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.2 CSCCCOCC(=O)O Amb28042679 [1,0,0,0,0,0|2,0,1]=4 251 B9R0.2 CSCCNCCC(=O)O Amb25055507 [1,0,0,0,0,0|2,0,1]=4 252 B9R0.2 CS\C=C\CCCC(C)=O Amb28054428 [1,0,0,0,0,0|2,0,1]=4 253 B9R0.2 C[NH2+]CCCCCC(=O)O Amb9791271 [1,0,0,0,0,0|1,0,1]=3 254 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [1,0,0,0,0,0|0,0,3]=4 255 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [1,0,0,0,0,0|0,0,3]=4 256 B9R0.2 N#CCCCCCC(=O)O Amb18643705 [1,0,0,0,0,0|1,0,2]=4 257 B9R0.2 N#CCSCCCC(=O)O Amb17501766 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.2 NC(=O)CCCCCCBr Amb27654995 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.2 NC(=O)CCCCCCCl Amb27254212 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.2 NCCCCCCC(=O)O Amb1151254 [1,0,0,0,0,0|1,0,1]=3 261 B9R0.2 NCCCCCCC(=O)O Amb16232099 [1,0,0,0,0,0|1,0,1]=3 262 B9R0.2 NCCCCCCC(=O)[O-] Amb32663972 [1,0,0,0,0,0|1,0,2]=4 263 B9R0.2 NCCCCNCC(=O)O Amb27800960 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.2 NCCCCSCC(=O)O Amb17500919 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.2 NCCCNCCC(=O)O Amb27959846 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.2 NCCCOCCC(=O)O Amb18111494 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.2 NCCCSCCC(=O)O Amb24496605 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.2 NCCNCCNC(=O)O Amb24069145 [1,0,0,0,0,0|3,0,0]=4 269 B9R0.2 NCCOCCCC(=O)O Amb18111467 [1,0,0,0,0,0|2,0,0]=3 270 B9R0.2 NCCSCCCC(=O)O Amb17500468 [1,0,0,0,0,0|2,0,0]=3 271 B9R0.2 NCCSSCCC(=O)O Amb17608062 [1,0,0,0,0,0|3,0,0]=4 272 B9R0.2 NOCCCCCC(=O)O Amb32708458 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.2 O=C(Cl)CCCSCCCl Amb27644536 [1,0,0,0,0,0|3,0,0]=4 274 B9R0.2 O=C(O)CCCC#CCO Amb27391720 [1,0,0,0,0,0|1,0,2]=4 275 B9R0.2 O=C(O)CCCCCCBr Amb10071514 [1,0,0,0,0,0|1,0,1]=3 276 B9R0.2 O=C(O)CCCCCCCl Amb17594087 [1,0,0,0,0,0|1,0,1]=3 277 B9R0.2 O=C(O)CCCCCCF Amb25132501 [1,0,0,0,0,0|1,0,1]=3 278 B9R0.2 O=C(O)CCCCCCO Amb9787028 [1,0,0,0,0,0|1,0,1]=3 279 B9R0.2 O=C(O)CCCCCCS Amb24710334 [1,0,0,0,0,0|1,0,1]=3 280 B9R0.2 O=C(O)CCCCCNBr Amb28054088 [1,0,0,0,0,0|2,0,1]=4 281 B9R0.2 O=C(O)CCCNCCO Amb9333522 [1,0,0,0,0,0|2,0,0]=3 282 B9R0.2 O=C(O)CCCOCCO Amb6680919 [1,0,0,0,0,0|2,0,0]=3 283 B9R0.2 O=C(O)CCCSCCF Amb27614997 [1,0,0,0,0,0|2,0,0]=3 284 B9R0.2 O=C(O)CCCSCCO Amb9481728 [1,0,0,0,0,0|2,0,0]=3 285 B9R0.2 O=C(O)CCC\C=C/CO Amb27425001 [1,0,0,0,0,0|1,0,1]=3 286 B9R0.2 O=C(O)CCNCCCF Amb28049536 [1,0,0,0,0,0|2,0,1]=4 287 B9R0.2 O=C(O)CCNCCCO Amb9239888 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.2 O=C(O)CCOCCCO Amb24476864 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.2 O=C(O)CCSCCCCl Amb26421708 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.2 O=C(O)CCSCCCF Amb27251653 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.2 O=C(O)CCSSCCO Amb17615366 [1,0,0,0,0,0|3,0,0]=4 292 B9R0.2 O=C(O)CNCCCCO Amb28063278 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.2 O=C(O)COCCCCF Amb27770553 [1,0,0,0,0,0|2,0,1]=4 294 B9R0.2 O=C(O)COCCCCO Amb27465121 [1,0,0,0,0,0|2,0,1]=4 295 B9R0.2 O=C(O)CSCCCCCl Amb27165750 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.2 O=C(O)CSCCCCF Amb28062594 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [1,0,0,0,0,0|1,0,2]=4 298 B9R0.5 C#CCCCC(=O)CCN Amb28074139 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.5 C#CCCCC(=O)CNC Amb28050467 [1,0,0,0,0,0|2,0,1]=4 300 B9R0.5 C#CCCCC(=O)COC Amb28041300 [1,0,0,0,0,0|2,0,1]=4 301 B9R0.5 C#CCCCC(=O)CSC Amb27594998 [1,0,0,0,0,0|2,0,1]=4 302 B9R0.5 C#CCCCC(=O)OCC Amb18115788 [1,0,0,0,0,0|2,0,1]=4 303 B9R0.5 C#CCCNC(=O)CCC Amb27258455 [1,0,0,0,0,0|2,0,1]=4 304 B9R0.5 C#CCCOC(=O)CCC Amb28349346 [1,0,0,0,0,0|2,0,1]=4 305 B9R0.5 C=C(CCC)CCCCCl Amb27835284 [1,0,0,0,0,0|2,0,1]=4 306 B9R0.5 C=CCCCC(=O)CCO Amb27262946 [1,0,0,0,0,0|2,0,0]=3 307 B9R0.5 C=CCCCC(=O)CSC Amb28182451 [1,0,0,0,0,0|2,0,0]=3 308 B9R0.5 C=CCCNC(=O)CNC Amb28074863 [1,0,0,0,0,0|3,0,0]=4 309 B9R0.5 C=CCCNC(=O)CSC Amb28126093 [1,0,0,0,0,0|3,0,0]=4 310 B9R0.5 C=CCCNC(=O)OCC Amb27237340 [1,0,0,0,0,0|3,0,0]=4 311 B9R0.5 C=CCNCC(=O)CCBr Amb27606999 [1,0,0,0,0,0|3,0,0]=4 312 B9R0.5 C=CCNCC(=O)COC Amb28050357 [1,0,0,0,0,0|3,0,0]=4 313 B9R0.5 C=CCNCC(=O)OCC Amb6706547 [1,0,0,0,0,0|3,0,0]=4 314 B9R0.5 C=CCOCC(=O)CCC Amb27171042 [1,0,0,0,0,0|2,0,0]=3 315 B9R0.5 C=CCOCC(=O)OCC Amb9208693 [1,0,0,0,0,0|3,0,0]=4 316 B9R0.5 C=CCSCC(=O)COC Amb27777112 [1,0,0,0,0,0|3,0,0]=4 317 B9R0.5 CC#CCCC(=O)CCC Amb28186245 [1,0,0,0,0,0|1,0,2]=4 318 B9R0.5 CCCC(=O)CCCCN Amb28058184 [1,0,0,0,0,0|1,0,1]=3 319 B9R0.5 CCCC(=O)CCCSC Amb27758287 [1,0,0,0,0,0|2,0,0]=3 320 B9R0.5 CCCC(=O)COCCCl Amb27244905 [1,0,0,0,0,0|2,0,1]=4 321 B9R0.5 CCCC(=O)COCCN Amb27413187 [1,0,0,0,0,0|2,0,1]=4 322 B9R0.5 CCCC(=O)CSCCO Amb18800667 [1,0,0,0,0,0|1,0,1]=3 323 B9R0.5 CCCC(=O)NCCC#N Amb17399856 [1,0,0,0,0,0|2,0,1]=4 324 B9R0.5 CCCC(=O)NCCC=O Amb17102167 [1,0,0,0,0,0|1,0,0]=2 325 B9R0.5 CCCC(=O)NCCSC Amb8504701 [1,0,0,0,0,0|3,0,0]=4 326 B9R0.5 CCCC(=O)NOCCO Amb28293706 [1,0,0,0,0,0|2,0,1]=4 327 B9R0.5 CCCC(=O)OCCC#N Amb18643713 [1,0,0,0,0,0|2,0,1]=4 328 B9R0.5 CCCC(=O)OCCC=O Amb28049893 [1,0,0,0,0,0|1,0,0]=2 329 B9R0.5 CCCC(=O)OCCCN Amb27272615 [1,0,0,0,0,0|2,0,1]=4 330 B9R0.5 CCCC(=O)OCCCO Amb28292589 [1,0,0,0,0,0|1,0,1]=3 331 B9R0.5 CCCC(=O)\C=C\CCO Amb27409476 [1,0,0,0,0,0|0,0,3]=4 332 B9R0.5 CCCC(C)CCCC=O Amb27425021 [1,0,0,0,0,0|1,0,1]=3 333 B9R0.5 CCCC(C)CCCCO Amb28046661 [1,0,0,0,0,0|1,0,2]=4 334 B9R0.5 CCCC(F)CCCCO Amb27856506 [1,0,0,0,0,0|1,0,2]=4 335 B9R0.5 CCCCCC(=O)CCC Amb2720457 [1,0,0,0,0,0|1,0,1]=3 336 B9R0.5 CCCCCC(=O)CCO Amb27627789 [1,0,0,0,0,0|2,0,1]=4 337 B9R0.5 CCCCCC(=O)COC Amb27171123 [1,0,0,0,0,0|2,0,1]=4 338 B9R0.5 CCCCCC(=O)NCC Amb3373540 [1,0,0,0,0,0|2,0,1]=4 339 B9R0.5 CCCCNC(=O)CCC Amb5797594 [1,0,0,0,0,0|2,0,1]=4 340 B9R0.5 CCCSCC(=O)CCC Amb18800477 [1,0,0,0,0,0|2,0,1]=4 341 B9R0.5 CCC[C@@H](F)CCCCO Amb27617034 [1,0,0,0,0,0|1,0,2]=4 342 B9R0.5 CCC[C@H](C)CCCCO Amb27972560 [1,0,0,0,0,0|1,0,2]=4 343 B9R0.5 CCC[C@H](F)CCCCO Amb27835909 [1,0,0,0,0,0|1,0,2]=4 344 B9R0.5 CCC[C@H](N)CCCCO Amb27799723 [1,0,0,0,0,0|1,0,2]=4 345 B9R0.5 CCC\C(C)=C\CCC=O Amb27224748 [1,0,0,0,0,0|1,0,1]=3 346 B9R0.5 CCNC(=O)CCCC#N Amb28063756 [1,0,0,0,0,0|2,0,1]=4 347 B9R0.5 CCNC(=O)CCCCBr Amb17239684 [1,0,0,0,0,0|2,0,1]=4 348 B9R0.5 CCNC(=O)CCCNC Amb28126927 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.5 CCNC(=O)CCCOC Amb27179856 [1,0,0,0,0,0|3,0,0]=4 350 B9R0.5 CCNC(=O)CCNC=O Amb27255900 [1,0,0,0,0,0|2,0,0]=3 351 B9R0.5 CCNC(=O)CNCCO Amb9246603 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.5 CCNC(=O)NCCCO Amb4018873 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.5 CCOC(=O)CCCC#N Amb16233123 [1,0,0,0,0,0|2,0,1]=4 354 B9R0.5 CCOC(=O)CCCC=O Amb22230665 [1,0,0,0,0,0|1,0,0]=2 355 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [1,0,0,0,0,0|2,0,1]=4 356 B9R0.5 CCOC(=O)CCCCI Amb4006406 [1,0,0,0,0,0|2,0,1]=4 357 B9R0.5 CCOC(=O)CCCCN Amb10807401 [1,0,0,0,0,0|2,0,1]=4 358 B9R0.5 CCOC(=O)CCCCN Amb33527726 [1,0,0,0,0,0|2,0,1]=4 359 B9R0.5 CCOC(=O)CCCNC Amb9204023 [1,0,0,0,0,0|3,0,0]=4 360 B9R0.5 CCOC(=O)CCCOC Amb27837737 [1,0,0,0,0,0|3,0,0]=4 361 B9R0.5 CCOC(=O)CCCSC Amb25058939 [1,0,0,0,0,0|3,0,0]=4 362 B9R0.5 CCOC(=O)CCN=C=O Amb3939286 [1,0,0,0,0,0|2,0,1]=4 363 B9R0.5 CCOC(=O)COCCO Amb24113532 [1,0,0,0,0,0|2,0,1]=4 364 B9R0.5 CCOC(=O)OCCC=O Amb28287679 [1,0,0,0,0,0|2,0,0]=3 365 B9R0.5 CCOC(=O)OCCCO Amb28050600 [1,0,0,0,0,0|2,0,1]=4 366 B9R0.5 CCOC(=O)OCNC=O Amb22370493 [1,0,0,0,0,0|3,0,0]=4 367 B9R0.5 CCOC(=O)\C=C\CC=O Amb26587773 [1,0,0,0,0,0|1,0,2]=4 368 B9R0.5 CCOC(C)CCCC=O Amb33424998 [1,0,0,0,0,0|2,0,1]=4 369 B9R0.5 CC\C=C(\C)CCCC=O Amb27850024 [1,0,0,0,0,0|1,0,1]=3 370 B9R0.5 COCC(=O)CCCCN Amb28050471 [1,0,0,0,0,0|2,0,1]=4 371 B9R0.5 COCC(=O)OCCCO Amb26408081 [1,0,0,0,0,0|2,0,1]=4 372 B9R0.5 CO\C=C(/C)CCCC=O Amb27199142 [1,0,0,0,0,0|2,0,1]=4 373 B9R0.5 C\C(=C/CO)CCCC=O Amb28287918 [1,0,0,0,0,0|2,0,1]=4 374 B9R0.5 C\C=C\C(=O)CCCC=O Amb25743030 [1,0,0,0,0,0|0,0,2]=3 375 B9R0.5 C\C=C\C(=O)OCCC=O Amb27401196 [1,0,0,0,0,0|1,0,2]=4 376 B9R0.5 C\C=C\CCC(=O)COC Amb27424966 [1,0,0,0,0,0|2,0,1]=4 377 B9R0.5 C\C=C\CCC(=O)NCC Amb25338258 [1,0,0,0,0,0|2,0,1]=4 378 B9R0.5 C\C=C\CNC(=O)CCC Amb28199119 [1,0,0,0,0,0|2,0,1]=4 379 B9R0.5 C\C=C\COC(=O)CCC Amb28349676 [1,0,0,0,0,0|2,0,1]=4 380 B9R0.5 NCCC(=O)OCCCO Amb27482412 [1,0,0,0,0,0|2,0,1]=4 381 B9R0.5 O=C(CCBr)NCCCO Amb17331230 [1,0,0,0,0,0|2,0,1]=4 382 B9R0.5 O=C(CCCl)NCCCO Amb17327508 [1,0,0,0,0,0|2,0,1]=4 383 B9R0.5 O=C(CCO)OCCCO Amb27652860 [1,0,0,0,0,0|2,0,1]=4 384 B9R0.5 [C-]#[N+]CCCC(=O)OCC Amb2235706 [1,0,0,0,0,0|3,0,0]=4 385 B11R0.1 CCCC(=O)N\C(C)=C\C(=O)O Amb28051882 [0,1,0,0,0,0|1,0,2]=4 386 B11R0.1 CCCC(N)CC(C)CC(=O)O Amb32669799 [0,1,0,0,0,0|1,0,1]=3 387 B11R0.1 CCOC(=O)CC(=O)CC(C)=O Amb16192546 [0,1,0,0,0,0|2,0,1]=4 388 B11R0.1 CCOC(=O)CC(C)CN(=O)=O Amb8391643 [0,1,0,0,0,0|2,0,1]=4 389 B11R0.1 CNCC(N)CC(C)CC(=O)O Amb32669818 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.1 CSCC(N)CC(C)CC(=O)O Amb32669809 [0,1,0,0,0,0|2,0,1]=4 391 B11R0.6 CC(C)=CC(=O)NCCC(=O)O Amb9212211 [0,1,0,0,0,0|1,0,2]=4 392 B11R0.6 CC(C)CC(=O)NCCC(=O)O Amb1115700 [0,1,0,0,0,0|1,0,0]=2 393 B11R0.6 CC(C)CC(C)OCCC(=O)O Amb6281156 [0,1,0,0,0,0|2,0,1]=4 394 B11R0.6 CC(C)NC(=O)CCCC(=O)O Amb9250806 [0,1,0,0,0,0|1,0,0]=2 395 B11R0.6 CC(C)NC(=O)CSCC(=O)O Amb1124265 [0,1,0,0,0,0|2,0,0]=3 396 B11R0.6 CC(C)NC(=O)NCCC(=O)O Amb1138267 [0,1,0,0,0,0|2,0,0]=3 397 B11R0.45 CCN(CCO)CCCC(=O)O Amb5768362 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.59 C=C(C)CCC(N)C(=O)OCC Amb33065872 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.59 CCCC(C)C(N)CCC(=O)O Amb33324100 [0,1,0,0,0,0|1,0,1]=3 400 B11R0.59 CCCC(C)N(C)CCC(=O)O Amb33718983 [0,1,0,0,0,0|2,0,1]=4 401 B11R0.59 CCNC(=O)C(C)SCC(=O)O Amb9203227 [0,1,0,0,0,0|2,0,0]=3 402 B11R0.59 CCOC(=O)C(N)CCC(C)=O Amb32864915 [0,1,0,0,0,0|2,0,0]=3 403 B11R0.59 CCOC(=O)C(N)CCC(C)O Amb33036585 [0,1,0,0,0,0|2,0,1]=4 404 B11R0.59 CCOC(=O)C(N)CCS(C)=O Amb33066328 [0,1,0,0,0,0|3,0,0]=4 405 B11R0.59 CCOC(=O)C(N)COC(C)=O Amb33802355 [0,1,0,0,0,0|3,0,0]=4 406 B11R0.59 CCOC(=O)[C@@H](N)CCS(C)=O Amb33802361 [0,1,0,0,0,0|3,0,0]=4 407 B11R0.59 CCOC(=O)[C@H]([NH3+])CSC(C)=O Amb28464001 [0,1,0,0,0,0|3,0,0]=4 408 B11R0.59 CCOC(C)C(N)CCC(=O)O Amb33425725 [0,1,0,0,0,0|2,0,1]=4 409 B11R0.104 C#CCS(=O)(=O)CCCC(=O)O Amb17503696 [0,1,0,0,0,0|1,0,2]=4 410 B11R0.104 C=CCS(=O)(=O)CCCC(=O)O Amb17503662 [0,1,0,0,0,0|1,0,2]=4 411 B11R0.104 CCCS(=O)(=O)CCCC(=O)O Amb9303334 [0,1,0,0,0,0|1,0,0]=2 412 B11R0.104 CCCS(=O)(=O)NCCC(=O)O Amb1110896 [0,1,0,0,0,0|2,0,0]=3 413 B11R0.104 N#CCS(=O)(=O)CCCC(=O)O Amb17503666 [0,1,0,0,0,0|2,0,1]=4 414 B11R0.104 NCCS(=O)(=O)CCCC(=O)O Amb17500610 [0,1,0,0,0,0|2,0,0]=3 415 B11R0.104 O=C(O)CCCS(=O)(=O)CCCl Amb24062755 [0,1,0,0,0,0|2,0,0]=3 416 B11R0.141 CCCC(C)CCC(C)C(=O)O Amb33079033 [0,1,0,0,0,0|1,0,1]=3 417 B11R0.141 CCCN(C)CC[C@@H](N)C(=O)O Amb32698169 [0,1,0,0,0,0|2,0,0]=3 418 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O Amb19134042 [0,1,0,0,0,0|1,0,0]=2 419 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Amb8390594 [0,1,0,0,0,0|1,0,0]=2 420 B11R0.141 CCOC(=O)CCC(Br)C(=O)O Amb32941131 [0,1,0,0,0,0|1,0,0]=2 421 B11R0.141 CCOC(=O)CCC(Cl)C(=O)O Amb32680769 [0,1,0,0,0,0|1,0,0]=2 422 B11R0.141 CCOC(=O)CCC(N)C(=O)O Amb6740305 [0,1,0,0,0,0|1,0,0]=2 423 B11R0.141 CCOC(=O)CCC(O)C(=O)O Amb32941118 [0,1,0,0,0,0|1,0,0]=2 424 B11R0.141 CCOC(=O)CC[C@@H](N)C(=O)O Amb22745269 [0,1,0,0,0,0|1,0,0]=2 425 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O Amb8385328 [0,1,0,0,0,0|1,0,0]=2 426 B11R0.141 CCOC(C)CCC(C)C(=O)O Amb33424999 [0,1,0,0,0,0|2,0,1]=4 427 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O Amb16183956 [0,1,0,0,0,0|2,0,1]=4 428 B11R0.147 C#CCOC(=O)CCCC(=O)O Amb6379035 [0,1,0,0,0,0|0,0,2]=3 429 B11R0.147 C=CCNC(=O)CCCC(=O)O Amb1863934 [0,1,0,0,0,0|0,0,2]=3 430 B11R0.147 CCCCC(=O)CCCC(=O)O Amb6305231 [0,1,0,0,0,0|0,0,0]=1 431 B11R0.147 CCCCC(=O)NCCC(=O)O Amb5741939 [0,1,0,0,0,0|1,0,0]=2 432 B11R0.147 CCCCN(C)CCCC(=O)Cl Amb17143107 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.147 CCCNC(=O)CCCC(=O)O Amb1841483 [0,1,0,0,0,0|0,0,0]=1 434 B11R0.174 CCCC(=O)NCCC(O)CO Amb32645135 [0,1,0,0,0,0|1,0,2]=4 435 B11R0.174 CCOC(=O)CCCC(=O)CC Amb6305807 [0,1,0,0,0,0|2,0,0]=3 436 B11R0.174 COC(=O)CCNC(=O)CCN Amb18790280 [0,1,0,0,0,0|2,0,0]=3 437 B11R0.174 COC(=O)CCNC(=O)CCN Amb32670623 [0,1,0,0,0,0|2,0,0]=3 438 B11R0.180 CCOC(=O)CCCS(=O)(=O)Cl Amb8836234 [0,1,0,0,0,0|2,0,1]=4 439 B11R0.180 CCOC(=O)CCCS(=O)(=O)F Amb32716742 [0,1,0,0,0,0|2,0,1]=4 440 B11R0.180 CCOC(=O)CCCS(N)(=O)=O Amb19043080 [0,1,0,0,0,0|2,0,1]=4 441 B11R0.180 O=C(CCCl)NCCS(=O)(=O)O Amb17327901 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.15 C=C(CCCl)C1CCC(=O)C1 Amb28119806 [0,0,0,1,0,0|3,0,0]=4 443 B11R1.15 C=C1CCN(C(=O)CCC)C1 Amb29878804 [0,0,0,1,0,0|3,0,0]=4 444 B11R1.15 CCCC(=O)C1CCC(N)C1 Amb24376732 [0,0,0,1,0,0|2,0,1]=4 445 B11R1.15 CCCC(=O)N1CCC(=O)C1 Amb27195381 [0,0,0,1,0,0|2,0,0]=3 446 B11R1.15 CCCC(=O)N1CCC(=O)N1 Amb32721862 [0,0,0,1,0,0|2,0,0]=3 447 B11R1.15 CCCC(C)C1CCC(=O)C1 Amb28197702 [0,0,0,1,0,0|2,0,1]=4 448 B11R1.15 CCCC(C)C1CNC(=O)O1 Amb26501463 [0,0,0,1,0,0|2,0,1]=4 449 B11R1.15 CCCS(=O)C1CCC(=O)C1 Amb27617417 [0,0,0,1,0,0|2,0,0]=3 450 B11R1.15 CCCS(=O)N1CCC(=O)C1 Amb28142224 [0,0,0,1,0,0|3,0,0]=4 451 B11R1.15 CCC[C@@H](O)[C@@H]1CCC(=O)O1 Amb27980571 [0,0,0,1,0,0|0,0,2]=3 452 B11R1.15 CCC[C@@H](O)[C@@H]1COC(=O)O1 Amb27651732 [0,0,0,1,0,0|1,0,2]=4 453 B11R1.15 CCC[C@@H](O)[C@H]1CCC(=O)O1 Amb28064044 [0,0,0,1,0,0|0,0,2]=3 454 B11R1.15 CCNC(=O)C1CCC(=O)N1 Amb27176321 [0,0,0,1,0,0|2,0,0]=3 455 B11R1.15 CCNC(=O)C1CCC(=O)O1 Amb27456317 [0,0,0,1,0,0|1,0,0]=2 456 B11R1.15 CCNC(=O)C1CCC(C)O1 Amb27484217 [0,0,0,1,0,0|2,0,1]=4 457 B11R1.15 CCNC(=O)C1CNC(=O)N1 Amb27604954 [0,0,0,1,0,0|3,0,0]=4 458 B11R1.15 CCNC(=O)C1COC(=O)N1 Amb27809419 [0,0,0,1,0,0|3,0,0]=4 459 B11R1.15 CCNC(=O)[C@@H]1CC[C@@H](O)C1 Amb27766292 [0,0,0,1,0,0|2,0,1]=4 460 B11R1.15 CCOC(=O)C1CCC(=O)C1 Amb2699967 [0,0,0,1,0,0|2,0,0]=3 461 B11R1.15 CCOC(=O)C1CCC(=O)N1 Amb2137255 [0,0,0,1,0,0|2,0,0]=3 462 B11R1.15 CCOC(=O)C1CCC(=O)O1 Amb27827981 [0,0,0,1,0,0|1,0,0]=2 463 B11R1.15 CCOC(=O)C1CCC(=S)N1 Amb25774356 [0,0,0,1,0,0|2,1,0]=4 464 B11R1.15 CCOC(=O)C1CCC(Cl)O1 Amb27484108 [0,0,0,1,0,0|2,0,1]=4 465 B11R1.15 CCOC(=O)C1CCC(O)C1 Amb22754536 [0,0,0,1,0,0|2,0,1]=4 466 B11R1.15 CCOC(=O)C1CNC(=O)C1 Amb20075873 [0,0,0,1,0,0|3,0,0]=4 467 B11R1.15 CCOC(=O)C1COC(=O)C1 Amb20669139 [0,0,0,1,0,0|3,0,0]=4 468 B11R1.15 CCOC(=O)N1CCC(=O)C1 Amb2687716 [0,0,0,1,0,0|3,0,0]=4 469 B11R1.15 CCOC(=O)N1CCC(=O)N1 Amb24565619 [0,0,0,1,0,0|3,0,0]=4 470 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 Amb2613478 [0,0,0,1,0,0|2,0,0]=3 471 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)O1 Amb22226711 [0,0,0,1,0,0|1,0,0]=2 472 B11R1.15 CCOC(=O)[C@@H]1CCC(=S)N1 Amb26870562 [0,0,0,1,0,0|2,1,0]=4 473 B11R1.15 CCOC(=O)[C@@H]1CCC(O)N1 Amb27945675 [0,0,0,1,0,0|2,0,1]=4 474 B11R1.15 CCOC(=O)[C@@H]1CCC(O)O1 Amb27425160 [0,0,0,1,0,0|1,0,2]=4 475 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](O)O1 Amb24613347 [0,0,0,1,0,0|1,0,2]=4 476 B11R1.15 CCOC(=O)[C@@H]1COC(=O)N1 Amb19929335 [0,0,0,1,0,0|3,0,0]=4 477 B11R1.15 CCOC(=O)[C@@H]1CSC(=O)N1 Amb6358121 [0,0,0,1,0,0|3,0,0]=4 478 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 Amb26936549 [0,0,0,1,0,0|2,0,0]=3 479 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 Amb6356197 [0,0,0,1,0,0|2,0,0]=3 480 B11R1.15 CCOC(=O)[C@H]1CCC(=O)O1 Amb8396250 [0,0,0,1,0,0|1,0,0]=2 481 B11R1.15 CCOC(=O)[C@H]1CNC(=O)C1 Amb27791997 [0,0,0,1,0,0|3,0,0]=4 482 B11R1.15 CCOC(=O)[C@H]1CSC(=O)N1 Amb28135391 [0,0,0,1,0,0|3,0,0]=4 483 B11R1.15 CCSC(=O)[C@@H]1CCC(=O)N1 Amb25275281 [0,0,0,1,0,0|2,0,0]=3 484 B11R1.15 CNCC(=O)C1CC[C@@H](C)O1 Amb33423398 [0,0,0,1,0,0|2,0,1]=4 485 B11R1.15 COCC(=O)C1CCC(C)O1 Amb27952213 [0,0,0,1,0,0|2,0,1]=4 486 B11R1.15 COCC(=O)N1CCC(=O)N1 Amb32721859 [0,0,0,1,0,0|3,0,0]=4 487 B11R1.15 CONC(=O)C1CCC(=O)O1 Amb28125388 [0,0,0,1,0,0|2,0,0]=3 488 B11R1.15 CONC(=O)[C@@H]1CCC(=O)N1 Amb27607214 [0,0,0,1,0,0|3,0,0]=4 489 B11R1.15 CONC(=O)[C@H]1CCC(=O)N1 Amb27265499 [0,0,0,1,0,0|3,0,0]=4 490 B11R1.15 CSCC(=O)C1CCC(C)O1 Amb28454088 [0,0,0,1,0,0|2,0,1]=4 491 B11R1.15 C[C@@H]1CCC(C(=O)CCN)O1 Amb33423405 [0,0,0,1,0,0|2,0,1]=4 492 B11R1.15 O=C1CC(C(=O)CCO)CO1 Amb27749730 [0,0,0,1,0,0|3,0,0]=4 493 B11R1.15 O=C1CCC(C(=O)OCCl)N1 Amb24371305 [0,0,0,1,0,0|3,0,0]=4 494 B11R1.15 O=C1CCN(C(=O)CCCl)N1 Amb27645458 [0,0,0,1,0,0|3,0,0]=4 495 B11R1.15 O=C1CC[C@@H](C(=O)OCCl)N1 Amb24450211 [0,0,0,1,0,0|3,0,0]=4 496 B11R1.62 CCC1C(=O)NC1CC(C)O Amb27810889 [0,0,0,1,0,0|2,0,1]=4 497 B11R1.62 CC[C@@H]1C(=O)N[C@@H]1SC(C)=O Amb27631970 [0,0,0,1,0,0|3,0,0]=4 498 B11R1.62 CC[C@@H]1C(=O)N[C@H]1CC(=O)O Amb27439855 [0,0,0,1,0,0|1,0,0]=2 499 B11R1.62 CC[C@@H]1C(=O)N[C@H]1C[C@H](C)O Amb27969235 [0,0,0,1,0,0|2,0,1]=4 500 B11R1.62 CC[C@H]1C(=O)NC1OC(C)=O Amb27851216 [0,0,0,1,0,0|3,0,0]=4 501 B11R1.62 CC[C@H]1C(=O)N[C@@H]1CC(=O)O Amb27776770 [0,0,0,1,0,0|1,0,0]=2 502 B11R1.62 CC[C@H]1C(=O)N[C@H]1OC(C)=O Amb27841323 [0,0,0,1,0,0|3,0,0]=4 503 B11R1.64 C=CN1C(=O)CC[C@H]1C(=O)O Amb24456799 [0,0,0,1,0,0|1,0,2]=4 504 B11R1.64 CC1CCC(C(=O)O)C1CN Amb20623956 [0,0,0,1,0,0|2,0,1]=4 505 B11R1.64 CCC1=C(C(=O)O)COC1=O Amb27657534 [0,0,0,1,0,0|1,0,2]=4 506 B11R1.64 CCC1C(=O)CC[C@H]1C(=O)O Amb27865586 [0,0,0,1,0,0|0,0,0]=1 507 B11R1.64 CCC1C(=O)NN=C1C(=O)O Amb25335547 [0,0,0,1,0,0|2,0,1]=4 508 B11R1.64 CCC1C(=O)OCN1C(C)=O Amb27645148 [0,0,0,1,0,0|3,0,0]=4 509 B11R1.64 CCC1C(C(=O)O)CCN1C Amb27863902 [0,0,0,1,0,0|2,0,0]=3 510 B11R1.64 CCC1C(C(=O)O)CCN1C Amb32665015 [0,0,0,1,0,0|2,0,0]=3 511 B11R1.64 CCN1C(=O)CCC1C(=O)O Amb18288294 [0,0,0,1,0,0|1,0,0]=2 512 B11R1.64 CCN1C(=O)CC[C@H]1C(=O)O Amb25108137 [0,0,0,1,0,0|1,0,0]=2 513 B11R1.64 CCN1C(=O)OCC1C(=O)O Amb26636760 [0,0,0,1,0,0|2,0,0]=3 514 B11R1.64 CCN1C(=O)OC[C@@H]1C(=O)O Amb26888777 [0,0,0,1,0,0|2,0,0]=3 515 B11R1.64 CC[C@@H]1C(=O)C=C[C@H]1C(=O)O Amb27640542 [0,0,0,1,0,0|0,0,2]=3 516 B11R1.64 CC[C@@H]1C(=O)CC[C@H]1C(=O)O Amb27233378 [0,0,0,1,0,0|0,0,0]=1 517 B11R1.64 CC[C@@H]1C(=O)NC[C@H]1C(=O)O Amb28319505 [0,0,0,1,0,0|1,0,0]=2 518 B11R1.64 CC[C@@H]1[C@@H](C(=O)O)CCN1C Amb18199982 [0,0,0,1,0,0|2,0,0]=3 519 B11R1.64 CC[C@@H]1[C@@H](C(=O)O)CCN1C Amb28722109 [0,0,0,1,0,0|2,0,0]=3 520 B11R1.64 CC[C@H]1C(=O)C=C[C@@H]1C(=O)O Amb25911910 [0,0,0,1,0,0|0,0,2]=3 521 B11R1.64 CC[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18830650 [0,0,0,1,0,0|1,0,0]=2 522 B11R1.64 CC[C@H]1C(=O)OCN1C(C)=O Amb27490878 [0,0,0,1,0,0|3,0,0]=4 523 B11R1.64 CC[C@H]1C(=O)OC[C@H]1C(=O)O Amb27639476 [0,0,0,1,0,0|1,0,0]=2 524 B11R1.64 NCC1C(=O)CCC1C(=O)O Amb27495236 [0,0,0,1,0,0|1,0,0]=2 525 B11R1.64 O=C(O)C1CCC(=O)C1CCl Amb28396682 [0,0,0,1,0,0|1,0,0]=2 526 B11R1.90 C=C(C)CCC1CCCC1=O Amb28351409 [0,0,0,1,0,0|2,0,0]=3 527 B11R1.90 C=C(C)CCC1COCC1=O Amb35639035 [0,0,0,1,0,0|3,0,0]=4 528 B11R1.90 CC(=O)CCC1CCCN1C Amb25145698 [0,0,0,1,0,0|3,0,0]=4 529 B11R1.90 CC(=O)CCC1CCNC1=O Amb18200449 [0,0,0,1,0,0|2,0,0]=3 530 B11R1.90 CC(=O)CCN1CCCC1=O Amb27791410 [0,0,0,1,0,0|2,0,0]=3 531 B11R1.90 CC(=O)CCN1CCOC1=O Amb8388287 [0,0,0,1,0,0|3,0,0]=4 532 B11R1.90 CC(=O)CCN1CCSC1=O Amb27838182 [0,0,0,1,0,0|3,0,0]=4 533 B11R1.90 CC(=O)CSC1CCNC1=O Amb27979314 [0,0,0,1,0,0|3,0,0]=4 534 B11R1.90 CC(=O)CSC1CCOC1=O Amb27840333 [0,0,0,1,0,0|3,0,0]=4 535 B11R1.90 CC(=O)NCC1CCCC1=O Amb27840284 [0,0,0,1,0,0|2,0,0]=3 536 B11R1.90 CC(=O)OCC1CCCC1=O Amb25990779 [0,0,0,1,0,0|2,0,0]=3 537 B11R1.90 CC(=O)OC[C@@H]1CCCC1=O Amb28382804 [0,0,0,1,0,0|2,0,0]=3 538 B11R1.90 CC(C)=CCC1CCCC1=O Amb18787452 [0,0,0,1,0,0|2,0,1]=4 539 B11R1.90 CC(C)CCC1CCCC1=O Amb18177373 [0,0,0,1,0,0|2,0,1]=4 540 B11R1.90 CC(O)CCC1CCCC1=O Amb28410791 [0,0,0,1,0,0|1,0,1]=3 541 B11R1.90 CC(O)CCC1CCNC1=O Amb27241365 [0,0,0,1,0,0|2,0,1]=4 542 B11R1.90 CC(O)CCN1CCCC1=O Amb18183160 [0,0,0,1,0,0|2,0,1]=4 543 B11R1.90 CC1OCCC1CCC(=O)O Amb33427953 [0,0,0,1,0,0|2,0,1]=4 544 B11R1.90 CN1CCCC1CCC(=O)O Amb17504569 [0,0,0,1,0,0|2,0,0]=3 545 B11R1.90 CN1CCCC1CCC(=O)O Amb28872305 [0,0,0,1,0,0|2,0,0]=3 546 B11R1.90 CS(=O)CCC1CCNC1=O Amb27626088 [0,0,0,1,0,0|3,0,0]=4 547 B11R1.90 CS(=O)CCC1CSCC1=O Amb27874515 [0,0,0,1,0,0|3,0,0]=4 548 B11R1.90 C[C@H]1CCC[C@@H]1CCC(=O)O Amb28455731 [0,0,0,1,0,0|1,0,1]=3 549 B11R1.90 C\C(Cl)=C/CC1CCCC1=O Amb27440096 [0,0,0,1,0,0|2,0,1]=4 550 B11R1.90 NC(=O)CCN1CCCC1=O Amb10809368 [0,0,0,1,0,0|2,0,0]=3 551 B11R1.90 NC(=O)CCN1CCCC1=S Amb25118728 [0,0,0,1,0,0|2,1,0]=4 552 B11R1.90 NC(=O)CCN1CCNC1=O Amb27853994 [0,0,0,1,0,0|3,0,0]=4 553 B11R1.90 NC(=O)CCN1CCOC1=O Amb18787749 [0,0,0,1,0,0|3,0,0]=4 554 B11R1.90 NC(=O)CC[C@@H]1NCOC1=O Amb28255565 [0,0,0,1,0,0|3,0,0]=4 555 B11R1.90 NC(=O)CNC1CCSC1=O Amb27751535 [0,0,0,1,0,0|3,0,0]=4 556 B11R1.90 NC(=O)CN[C@H]1CCOC1=O Amb27946688 [0,0,0,1,0,0|3,0,0]=4 557 B11R1.90 NC(=O)CSC1CCCC1=O Amb27262109 [0,0,0,1,0,0|2,0,0]=3 558 B11R1.90 NC(=S)CCN1CCCC1=O Amb6278994 [0,0,0,1,0,0|2,1,0]=4 559 B11R1.90 NS(=O)CCC1CCOC1=O Amb32720769 [0,0,0,1,0,0|3,0,0]=4 560 B11R1.90 N[C@@H]1CCC[C@H]1CCC(=O)O Amb28244799 [0,0,0,1,0,0|1,0,1]=3 561 B11R1.90 O=C(Cl)OCN1CCCC1=O Amb33297066 [0,0,0,1,0,0|3,0,0]=4 562 B11R1.90 O=C(O)CCC1=CCOC1=O Amb27596612 [0,0,0,1,0,0|1,0,2]=4 563 B11R1.90 O=C(O)CCC1C=NNC1=O Amb27966307 [0,0,0,1,0,0|2,0,1]=4 564 B11R1.90 O=C(O)CCC1C=NOC1=O Amb27438724 [0,0,0,1,0,0|2,0,1]=4 565 B11R1.90 O=C(O)CCC1CCCC1=O Amb17400002 [0,0,0,1,0,0|0,0,0]=1 566 B11R1.90 O=C(O)CCC1CCCC1F Amb27623706 [0,0,0,1,0,0|1,0,1]=3 567 B11R1.90 O=C(O)CCC1CCOC1=O Amb10669454 [0,0,0,1,0,0|1,0,0]=2 568 B11R1.90 O=C(O)CCC1CCSC1=O Amb27233557 [0,0,0,1,0,0|1,0,0]=2 569 B11R1.90 O=C(O)CCC1N=CNC1=O Amb25028108 [0,0,0,1,0,0|2,0,1]=4 570 B11R1.90 O=C(O)CCC1NCCC1O Amb27162121 [0,0,0,1,0,0|1,0,2]=4 571 B11R1.90 O=C(O)CCC1OCCC1O Amb27755061 [0,0,0,1,0,0|1,0,2]=4 572 B11R1.90 O=C(O)CCN1CCCC1=O Amb1138316 [0,0,0,1,0,0|1,0,0]=2 573 B11R1.90 O=C(O)CCN1CCNC1=O Amb19002909 [0,0,0,1,0,0|2,0,0]=3 574 B11R1.90 O=C(O)CCN1CCOC1=O Amb6673441 [0,0,0,1,0,0|2,0,0]=3 575 B11R1.90 O=C(O)CCN1CCSC1=O Amb1106160 [0,0,0,1,0,0|2,0,0]=3 576 B11R1.90 O=C(O)CCN1CCSC1=S Amb27945417 [0,0,0,1,0,0|2,1,0]=4 577 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O Amb27640642 [0,0,0,1,0,0|1,0,2]=4 578 B11R1.90 O=C(O)CNC1CCNC1=O Amb35694004 [0,0,0,1,0,0|2,0,0]=3 579 B11R1.90 O=C(O)CSC1CCCC1O Amb18292041 [0,0,0,1,0,0|1,0,2]=4 580 B11R1.90 O=C(O)CSC1CCOC1=O Amb33535328 [0,0,0,1,0,0|2,0,0]=3 581 B11R1.90 O=C1CCCC1CC=C(Cl)Cl Amb35704016 [0,0,0,1,0,0|2,0,1]=4 582 B11R1.90 O=C1OCCC1CCS(=O)Cl Amb32720768 [0,0,0,1,0,0|3,0,0]=4 583 B11R1.90 O=C1OCCC1CCS(=O)[O-] Amb32754913 [0,0,0,1,0,0|2,0,1]=4 584 B11R1.120 CCCC1CC(CC(=O)O)C1 Amb25384948 [0,0,0,1,0,0|1,0,1]=3 585 B11R1.120 CCCN1CC(CC(=O)O)C1 Amb27670973 [0,0,0,1,0,0|2,0,0]=3 586 B11R1.120 CCOC1CC(CC(=O)O)C1 Amb26997305 [0,0,0,1,0,0|2,0,1]=4 587 B11R1.120 O=C(O)CC1CN(CCO)C1 Amb27670961 [0,0,0,1,0,0|3,0,0]=4 588 B11R1.124 CCCC1=NC(C(=O)O)CO1 Amb27965418 [0,0,0,1,0,0|2,0,0]=3 589 B11R1.124 CCCC1=NC(C(=O)O)CS1 Amb27768481 [0,0,0,1,0,0|2,0,0]=3 590 B11R1.124 CCCC1=N[C@@H](C(=O)O)CS1 Amb35637183 [0,0,0,1,0,0|2,0,0]=3 591 B11R1.124 CCCC1=N[C@H](C(=O)O)CO1 Amb26880393 [0,0,0,1,0,0|2,0,0]=3 592 B11R1.124 CCCC1=N[C@H](C(=O)O)CS1 Amb35648206 [0,0,0,1,0,0|2,0,0]=3 593 B11R1.124 CCCC1CC(C(=O)O)CO1 Amb27791855 [0,0,0,1,0,0|2,0,1]=4 594 B11R1.124 CCCC1CCC(C(=O)O)O1 Amb27857074 [0,0,0,1,0,0|0,0,2]=3 595 B11R1.124 CCCC1CC[C@@H](C(=O)O)N1 Amb27478099 [0,0,0,1,0,0|1,0,1]=3 596 B11R1.124 CCCC1CN[C@H](C(=O)O)C1 Amb24487717 [0,0,0,1,0,0|2,0,1]=4 597 B11R1.124 CCCN1CCC(C(=O)O)C1 Amb18302805 [0,0,0,1,0,0|2,0,0]=3 598 B11R1.124 CCCN1CCC(C(C)=O)C1 Amb24722835 [0,0,0,1,0,0|3,0,0]=4 599 B11R1.124 CCC[C@@H]1CC[C@@H](C(=O)Cl)C1 Amb25335438 [0,0,0,1,0,0|2,0,1]=4 600 B11R1.124 CCC[C@@H]1CC[C@@H](C(=O)O)N1 Amb28400213 [0,0,0,1,0,0|1,0,1]=3 601 B11R1.124 CCC[C@H]1CN[C@H](C(=O)O)C1 Amb26636529 [0,0,0,1,0,0|2,0,1]=4 602 B11R1.124 CCOC1=NC(C(=O)O)CC1 Amb27168038 [0,0,0,1,0,0|2,0,0]=3 603 B11R1.124 CNCC1CCC(C(=O)O)O1 Amb25140444 [0,0,0,1,0,0|1,0,2]=4 604 B11R1.124 COCC1=N[C@@H](C(=O)O)CS1 Amb35637184 [0,0,0,1,0,0|3,0,0]=4 605 B11R1.124 COCC1=N[C@H](C(=O)O)CS1 Amb35648208 [0,0,0,1,0,0|3,0,0]=4 606 B11R1.124 COCC1CCC(C(=O)O)C1 Amb25780193 [0,0,0,1,0,0|2,0,1]=4 607 B11R1.124 COCC1CCC(C(=O)O)N1 Amb24441382 [0,0,0,1,0,0|2,0,1]=4 608 B11R1.124 COCC1CCC(C(=O)O)O1 Amb18988012 [0,0,0,1,0,0|1,0,2]=4 609 B11R1.124 COC[C@@H]1CC[C@@H](C(=O)O)N1 Amb24547011 [0,0,0,1,0,0|2,0,1]=4 610 B11R1.124 COC[C@@H]1CC[C@H](C(=O)O)C1 Amb27768044 [0,0,0,1,0,0|2,0,1]=4 611 B11R1.124 COC[C@@H]1CC[C@H](C(=O)O)N1 Amb25919696 [0,0,0,1,0,0|2,0,1]=4 612 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)C1 Amb27781461 [0,0,0,1,0,0|2,0,1]=4 613 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)N1 Amb25369771 [0,0,0,1,0,0|2,0,1]=4 614 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)O1 Amb27217029 [0,0,0,1,0,0|1,0,2]=4 615 B11R1.124 CO\N=C1/CCC(C(=O)O)C1 Amb28207180 [0,0,0,1,0,0|3,0,0]=4 616 B11R1.124 CSCC1=N[C@@H](C(=O)O)CS1 Amb35637186 [0,0,0,1,0,0|3,0,0]=4 617 B11R1.124 CSCC1=N[C@H](C(=O)O)CS1 Amb35648210 [0,0,0,1,0,0|3,0,0]=4 618 B11R1.124 O=C(O)[C@@H]1CSC(CCO)=N1 Amb35648209 [0,0,0,1,0,0|3,0,0]=4 619 B11R1.124 O=C(O)[C@H]1CSC(CCO)=N1 Amb35637185 [0,0,0,1,0,0|3,0,0]=4 620 B11R1.145 O=C1CCCOC(=O)CCC1 Amb28074815 [0,0,0,1,0,0|0,0,0]=1 621 B11R1.145 O=C1CSCC(=O)NCCN1 Amb21953187 [0,0,0,1,0,0|3,0,0]=4 622 B11R1.157 C=C(C)CC1CCCC(=O)C1 Amb27869333 [0,0,0,1,0,0|2,0,0]=3 623 B11R1.157 C=C1CCCN(CC(N)=O)C1 Amb27604108 [0,0,0,1,0,0|3,0,0]=4 624 B11R1.157 CC(=O)CC1C=C(C)CCC1 Amb28074792 [0,0,0,1,0,0|2,0,1]=4 625 B11R1.157 CC(=O)CC1CC=CC(=O)C1 Amb27785422 [0,0,0,1,0,0|1,0,2]=4 626 B11R1.157 CC(=O)CC1CCCC(=O)N1 Amb24634713 [0,0,0,1,0,0|2,0,0]=3 627 B11R1.157 CC(=O)CC1CCCC(N)C1 Amb24685265 [0,0,0,1,0,0|2,0,1]=4 628 B11R1.157 CC(=O)CN1CCOC(=O)C1 Amb27866493 [0,0,0,1,0,0|3,0,0]=4 629 B11R1.157 CC(=O)C[C@H]1CCCC(C)=N1 Amb27861188 [0,0,0,1,0,0|3,0,0]=4 630 B11R1.157 CC(=O)S[C@@H]1CCCC(=O)C1 Amb28200665 [0,0,0,1,0,0|2,0,0]=3 631 B11R1.157 CC(C)=CC1CCCC(=O)C1 Amb27800894 [0,0,0,1,0,0|2,0,1]=4 632 B11R1.157 CC(C)CC1CCCC(=O)C1 Amb24485995 [0,0,0,1,0,0|2,0,1]=4 633 B11R1.157 CC(O)CC1CCCC(=O)N1 Amb28127974 [0,0,0,1,0,0|2,0,1]=4 634 B11R1.157 CC(O)CC1CCCC(=O)O1 Amb28065238 [0,0,0,1,0,0|2,0,1]=4 635 B11R1.157 CC1=C[C@H](CC(=O)O)CCC1 Amb27823732 [0,0,0,1,0,0|1,0,1]=3 636 B11R1.157 CC1CC(CC(=O)O)CCN1 Amb8387924 [0,0,0,1,0,0|2,0,1]=4 637 B11R1.157 CC1CC(CC(=O)O)CCO1 Amb27865036 [0,0,0,1,0,0|2,0,1]=4 638 B11R1.157 CC1CCCC(CC(=O)O)C1 Amb6749251 [0,0,0,1,0,0|1,0,1]=3 639 B11R1.157 CC1CCCC(CC(=O)O)N1 Amb8387931 [0,0,0,1,0,0|2,0,1]=4 640 B11R1.157 CC1CCCC(CC(=O)O)O1 Amb18126127 [0,0,0,1,0,0|2,0,1]=4 641 B11R1.157 CC1CCCN(CC(=O)O)C1 Amb2721846 [0,0,0,1,0,0|2,0,1]=4 642 B11R1.157 CC1CCNC(CC(=O)O)C1 Amb8387930 [0,0,0,1,0,0|2,0,1]=4 643 B11R1.157 CC1CNCC(CC(=O)O)C1 Amb28652860 [0,0,0,1,0,0|2,0,1]=4 644 B11R1.157 CC1CNCC(CC(=O)O)C1 Amb8387927 [0,0,0,1,0,0|2,0,1]=4 645 B11R1.157 CN(C)CC1CCCC(=O)C1 Amb26041263 [0,0,0,1,0,0|3,0,0]=4 646 B11R1.157 CN(C)CC1CCCC(=O)C1 Amb33328734 [0,0,0,1,0,0|3,0,0]=4 647 B11R1.157 CN1CCCC(CC(=O)O)C1 Amb13885805 [0,0,0,1,0,0|2,0,0]=3 648 B11R1.157 CN1CCCC(CC(=O)O)C1 Amb34914084 [0,0,0,1,0,0|2,0,0]=3 649 B11R1.157 CN1CCCC(CC(N)=O)C1 Amb27485694 [0,0,0,1,0,0|3,0,0]=4 650 B11R1.157 CN1CCNC(CC(=O)O)C1 Amb18830480 [0,0,0,1,0,0|3,0,0]=4 651 B11R1.157 CN1CCOC(CC(=O)O)C1 Amb18061928 [0,0,0,1,0,0|3,0,0]=4 652 B11R1.157 CS(=O)CC1CCCC(=O)C1 Amb30013482 [0,0,0,1,0,0|2,0,0]=3 653 B11R1.157 C[C@@H](O)C[C@H]1CCCC(=O)O1 Amb27213971 [0,0,0,1,0,0|2,0,1]=4 654 B11R1.157 C[C@@H]1CCC[C@H](CC(=O)O)O1 Amb27657703 [0,0,0,1,0,0|2,0,1]=4 655 B11R1.157 C[C@H](O)C[C@@H]1CCCC(=O)O1 Amb27218939 [0,0,0,1,0,0|2,0,1]=4 656 B11R1.157 N=C1NCCC(CC(=O)O)N1 Amb27863459 [0,0,0,1,0,0|3,0,0]=4 657 B11R1.157 NC(=O)CC1CCCC(=O)N1 Amb19515424 [0,0,0,1,0,0|2,0,0]=3 658 B11R1.157 NC(=O)CC1CCCC(N)C1 Amb18964224 [0,0,0,1,0,0|2,0,1]=4 659 B11R1.157 NC(=O)CC1CNCC(=O)N1 Amb27636641 [0,0,0,1,0,0|3,0,0]=4 660 B11R1.157 NC(=S)CC1CCCC(=O)N1 Amb19374370 [0,0,0,1,0,0|2,1,0]=4 661 B11R1.157 O=C(O)CC1C=C(Cl)CCC1 Amb27407075 [0,0,0,1,0,0|1,0,1]=3 662 B11R1.157 O=C(O)CC1CCCC(=O)C1 Amb8487121 [0,0,0,1,0,0|0,0,0]=1 663 B11R1.157 O=C(O)CC1CCCC(=O)N1 Amb18200018 [0,0,0,1,0,0|1,0,0]=2 664 B11R1.157 O=C(O)CC1CCCC(F)C1 Amb24651233 [0,0,0,1,0,0|1,0,1]=3 665 B11R1.157 O=C(O)CC1CCCC(O)C1 Amb18645020 [0,0,0,1,0,0|0,0,2]=3 666 B11R1.157 O=C(O)CC1CCNC(=O)C1 Amb18200020 [0,0,0,1,0,0|1,0,0]=2 667 B11R1.157 O=C(O)CC1CNCC(=O)N1 Amb25800398 [0,0,0,1,0,0|2,0,0]=3 668 B11R1.157 O=C(O)CN1CCC=C(Br)C1 Amb30013669 [0,0,0,1,0,0|2,0,1]=4 669 B11R1.157 O=C(O)CN1CCC=C(Cl)C1 Amb35696199 [0,0,0,1,0,0|2,0,1]=4 670 B11R1.157 O=C(O)CN1CCCC(=O)C1 Amb18200026 [0,0,0,1,0,0|1,0,0]=2 671 B11R1.157 O=C(O)CN1CCCC(F)C1 Amb30028543 [0,0,0,1,0,0|2,0,1]=4 672 B11R1.157 O=C(O)CN1CCCC(O)C1 Amb15701257 [0,0,0,1,0,0|1,0,2]=4 673 B11R1.157 O=C(O)CN1CCC[C@@H](O)C1 Amb22224754 [0,0,0,1,0,0|1,0,2]=4 674 B11R1.157 O=C(O)CN1CCC[C@H](O)C1 Amb22224789 [0,0,0,1,0,0|1,0,2]=4 675 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb2235553 [0,0,0,1,0,0|2,0,0]=3 676 B11R1.157 O=C(O)CN1CCNC(=O)C1 Amb32668970 [0,0,0,1,0,0|2,0,0]=3 677 B11R1.157 O=C(O)CN1CCOC(=O)C1 Amb1093951 [0,0,0,1,0,0|2,0,0]=3 678 B11R1.157 O=C(O)CN1CCOC(=O)S1 Amb28124198 [0,0,0,1,0,0|3,0,0]=4 679 B11R1.157 O=C(O)C[C@@H]1CCCC(=O)N1 Amb27397390 [0,0,0,1,0,0|1,0,0]=2 680 B11R1.157 O=C(O)C[C@@H]1CCC[C@@H](F)C1 Amb34912969 [0,0,0,1,0,0|1,0,1]=3 681 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 Amb28289879 [0,0,0,1,0,0|0,0,0]=1 682 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 Amb27983727 [0,0,0,1,0,0|1,0,0]=2 683 B11R1.157 O=C(O)C[C@H]1CCC[C@@H](F)C1 Amb34912973 [0,0,0,1,0,0|1,0,1]=3 684 B11R1.157 O=C1CCCC(C[N+](=O)[O-])C1 Amb28194873 [0,0,0,1,0,0|1,0,1]=3 685 B11R1.166 C=C(C)[C@@H]1CCC(=O)C[C@H]1O Amb28202205 [0,0,0,1,0,0|3,0,0]=4 686 B11R1.166 C=C(C)[C@H]1CCC(=O)C[C@@H]1O Amb27428321 [0,0,0,1,0,0|3,0,0]=4 687 B11R1.166 C=C1CC[C@@H](C(=O)O)[C@@H](N)C1 Amb28056027 [0,0,0,1,0,0|2,0,0]=3 688 B11R1.166 CC(=O)C1CCC(=O)C=C1C Amb28194490 [0,0,0,1,0,0|1,0,2]=4 689 B11R1.166 CC(=O)C1CCC(=O)NC1C Amb27848310 [0,0,0,1,0,0|2,0,0]=3 690 B11R1.166 CC(=O)C1CCC(C)=CC1C Amb25100211 [0,0,0,1,0,0|2,0,1]=4 691 B11R1.166 CC(=O)C1CCC(C)CC1C Amb28423633 [0,0,0,1,0,0|2,0,1]=4 692 B11R1.166 CC(=O)N1CCS(=O)CC1C Amb27757172 [0,0,0,1,0,0|3,0,0]=4 693 B11R1.166 CC(=O)[C@@H]1CC=C(C)C[C@H]1C Amb28052227 [0,0,0,1,0,0|2,0,1]=4 694 B11R1.166 CC(=O)[C@@H]1CCC(=O)C[C@@H]1C Amb24571662 [0,0,0,1,0,0|1,0,0]=2 695 B11R1.166 CC(=O)[C@@H]1CCC(C)=C[C@@H]1C Amb27632382 [0,0,0,1,0,0|2,0,1]=4 696 B11R1.166 CC(=O)[C@@H]1CC[C@H](O)C[C@H]1C Amb27220610 [0,0,0,1,0,0|1,0,2]=4 697 B11R1.166 CC(=O)[C@H]1CCC(=O)C[C@H]1C Amb26032690 [0,0,0,1,0,0|1,0,0]=2 698 B11R1.166 CC(=O)[C@H]1CCC(C)=C[C@H]1C Amb27768049 [0,0,0,1,0,0|2,0,1]=4 699 B11R1.166 CC(C)C1CCC(=O)CC1C Amb26987611 [0,0,0,1,0,0|2,0,1]=4 700 B11R1.166 CC(C)[C@@H]1CCC(=O)C[C@H]1C Amb25179432 [0,0,0,1,0,0|2,0,1]=4 701 B11R1.166 CC(C)[C@H]1CCC(=O)C[C@@H]1C Amb27847537 [0,0,0,1,0,0|2,0,1]=4 702 B11R1.166 CC1=C(C(=O)O)CCC(=O)N1 Amb25087837 [0,0,0,1,0,0|1,0,2]=4 703 B11R1.166 CC1=CC(=O)CCC1C(=O)O Amb25189150 [0,0,0,1,0,0|0,0,2]=3 704 B11R1.166 CC1=CC(O)C(C(=O)O)CC1 Amb28285405 [0,0,0,1,0,0|2,0,1]=4 705 B11R1.166 CC1=CCC(C(=O)O)C(C)C1 Amb18125766 [0,0,0,1,0,0|1,0,1]=3 706 B11R1.166 CC1=CCC(C(=O)O)C(C)N1 Amb27165803 [0,0,0,1,0,0|2,0,1]=4 707 B11R1.166 CC1=CCC(C(=O)O)N(C)C1 Amb8011553 [0,0,0,1,0,0|2,0,1]=4 708 B11R1.166 CC1=CCC(C(=O)O)[C@@H](C)C1 Amb27233603 [0,0,0,1,0,0|1,0,1]=3 709 B11R1.166 CC1=CCC(C(=O)O)[C@H](C)C1 Amb27808251 [0,0,0,1,0,0|1,0,1]=3 710 B11R1.166 CC1=CCC(C(N)=O)C(C)C1 Amb27758341 [0,0,0,1,0,0|2,0,1]=4 711 B11R1.166 CC1=CC[C@@H](C(=O)O)[C@H](C)C1 Amb25697299 [0,0,0,1,0,0|1,0,1]=3 712 B11R1.166 CC1=CC[C@H](C(=O)O)[C@@H](C)C1 Amb24601788 [0,0,0,1,0,0|1,0,1]=3 713 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,0,0,1,0,0|0,0,0]=1 714 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,0,0,1,0,0|1,0,0]=2 715 B11R1.166 CC1CC(C)C(C(=O)O)CN1 Amb33330510 [0,0,0,1,0,0|2,0,1]=4 716 B11R1.166 CC1CC(C)C(C(=O)O)CN1 Amb33330511 [0,0,0,1,0,0|2,0,1]=4 717 B11R1.166 CC1CC(Cl)CCC1C(=O)Cl Amb26507571 [0,0,0,1,0,0|2,0,1]=4 718 B11R1.166 CC1CCC(C(=O)O)C(C)N1 Amb25138873 [0,0,0,1,0,0|2,0,1]=4 719 B11R1.166 CC1CCC(C(=O)O)C(C)N1 Amb28594206 [0,0,0,1,0,0|2,0,1]=4 720 B11R1.166 CC1CCC(C(N)=O)C(C)C1 Amb27876093 [0,0,0,1,0,0|2,0,1]=4 721 B11R1.166 CC1CNC(C(=O)O)C(C)C1 Amb26560226 [0,0,0,1,0,0|2,0,1]=4 722 B11R1.166 CC1CNC(C(=O)O)C(C)C1 Amb33338906 [0,0,0,1,0,0|2,0,1]=4 723 B11R1.166 CC1NC(=O)CCC1C(N)=O Amb27186417 [0,0,0,1,0,0|2,0,0]=3 724 B11R1.166 CN1CCC(C(=O)O)C(F)C1 Amb24555473 [0,0,0,1,0,0|3,0,0]=4 725 B11R1.166 CN1CCC(C(=O)O)C(F)C1 Amb33734262 [0,0,0,1,0,0|3,0,0]=4 726 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,0,0,1,0,0|0,0,0]=1 727 B11R1.166 C[C@@H]1CC[C@H](C(=O)O)[C@H](O)C1 Amb27472461 [0,0,0,1,0,0|2,0,1]=4 728 B11R1.166 C[C@@H]1C[C@@H](Cl)CC[C@@H]1C(=O)Cl Amb27251490 [0,0,0,1,0,0|2,0,1]=4 729 B11R1.166 C[C@@H]1N[C@H](C)CC[C@@H]1C(=O)O Amb28345999 [0,0,0,1,0,0|2,0,1]=4 730 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,0,0,1,0,0|0,0,0]=1 731 B11R1.166 C[C@H]1CCC(C(=O)O)[C@H](C)O1 Amb27801338 [0,0,0,1,0,0|2,0,1]=4 732 B11R1.166 C[C@H]1CC[C@@H](C(=O)O)[C@@H](C)N1 Amb27655911 [0,0,0,1,0,0|2,0,1]=4 733 B11R1.166 C[C@H]1CC[C@H](C(=O)O)[C@H](O)C1 Amb26602933 [0,0,0,1,0,0|2,0,1]=4 734 B11R1.166 C[C@H]1C[C@@H](Cl)CC[C@@H]1C(=O)Cl Amb28054808 [0,0,0,1,0,0|2,0,1]=4 735 B11R1.166 NC(=O)C1CNC(=O)CC1O Amb27843739 [0,0,0,1,0,0|3,0,0]=4 736 B11R1.166 N[C@@H]1C[C@@H](O)CC[C@@H]1C(=O)O Amb24546400 [0,0,0,1,0,0|1,0,2]=4 737 B11R1.166 N[C@@H]1C[C@@H](O)CC[C@H]1C(=O)O Amb27630523 [0,0,0,1,0,0|1,0,2]=4 738 B11R1.166 N[C@H]1C[C@@H](O)CC[C@@H]1C(=O)O Amb27195777 [0,0,0,1,0,0|1,0,2]=4 739 B11R1.166 N[C@H]1C[C@@H](O)CC[C@H]1C(=O)O Amb28457447 [0,0,0,1,0,0|1,0,2]=4 740 B11R1.172 CC(=O)CCC=C1CCCC1 Amb28202156 [0,0,0,1,0,0|2,0,1]=4 741 B11R1.172 CC(=O)CCCC1CCCC1 Amb26076138 [0,0,0,1,0,0|2,0,1]=4 742 B11R1.172 CC(=O)CCCN1CCCC1 Amb9659032 [0,0,0,1,0,0|3,0,0]=4 743 B11R1.172 NC(=O)CCCC1CCCO1 Amb27818759 [0,0,0,1,0,0|1,0,2]=4 744 B11R1.172 NC(=O)CCCN1CCCC1 Amb17142881 [0,0,0,1,0,0|3,0,0]=4 745 B11R1.172 NC(=O)CNCC1=CCCC1 Amb28080566 [0,0,0,1,0,0|3,0,0]=4 746 B11R1.172 O=C(O)CCCC1=CCCC1 Amb18125777 [0,0,0,1,0,0|1,0,0]=2 747 B11R1.172 O=C(O)CCCC1=NCCN1 Amb27674406 [0,0,0,1,0,0|2,0,0]=3 748 B11R1.172 O=C(O)CCCC1CCCC1 Amb19149142 [0,0,0,1,0,0|1,0,1]=3 749 B11R1.172 O=C(O)CCCC1CCCN1 Amb18199969 [0,0,0,1,0,0|1,0,1]=3 750 B11R1.172 O=C(O)CCCC1CCCO1 Amb26990705 [0,0,0,1,0,0|0,0,2]=3 751 B11R1.172 O=C(O)CCCC1CCCS1 Amb26659241 [0,0,0,1,0,0|0,1,1]=3 752 B11R1.172 O=C(O)CCCC1CCOC1 Amb24755490 [0,0,0,1,0,0|2,0,1]=4 753 B11R1.172 O=C(O)CCCC1CCSC1 Amb27989571 [0,0,0,1,0,0|2,0,1]=4 754 B11R1.172 O=C(O)CCCN1CCCC1 Amb2607773 [0,0,0,1,0,0|2,0,0]=3 755 B11R1.172 O=C(O)CCCN1CCCC1 Amb33551514 [0,0,0,1,0,0|2,0,0]=3 756 B11R1.172 O=C(O)CCNC1=NCCC1 Amb10976572 [0,0,0,1,0,0|2,0,0]=3 757 B11R1.172 O=C(O)CCNC1=NCCN1 Amb4006099 [0,0,0,1,0,0|3,0,0]=4 758 B11R1.172 O=C(O)CCNC1CCCC1 Amb1109669 [0,0,0,1,0,0|2,0,1]=4 759 B11R1.172 O=C(O)CCNC1CCCC1 Amb13951292 [0,0,0,1,0,0|2,0,1]=4 760 B11R1.172 O=C(O)CCOC1CCCC1 Amb6275835 [0,0,0,1,0,0|2,0,1]=4 761 B11R1.172 O=C(O)CCSC1=NCCS1 Amb3551842 [0,0,0,1,0,0|2,1,0]=4 762 B11R1.172 O=C(O)CCSC1CCCC1 Amb6274643 [0,0,0,1,0,0|2,0,1]=4 763 B11R1.172 O=C(O)CNCC1CCCN1 Amb27673661 [0,0,0,1,0,0|2,0,1]=4 764 B11R1.172 O=C(O)CNCC1CCCO1 Amb7766544 [0,0,0,1,0,0|1,0,2]=4 765 B11R1.172 O=C(O)COCC1CCCC1 Amb21963936 [0,0,0,1,0,0|2,0,1]=4 766 B11R1.172 O=C(O)COCC1CCCN1 Amb19516849 [0,0,0,1,0,0|2,0,1]=4 767 B11R1.172 O=C(O)COCC1CCCN1 Amb22587360 [0,0,0,1,0,0|2,0,1]=4 768 B11R1.172 O=C(O)COCC1CCCO1 Amb9720381 [0,0,0,1,0,0|1,0,2]=4 769 B11R1.172 O=C(O)CSCC1=CCCC1 Amb28080558 [0,0,0,1,0,0|2,0,0]=3 770 B11R1.172 O=C(O)CSCC1CCCO1 Amb9708921 [0,0,0,1,0,0|1,0,2]=4 771 B11R1.201 CCCC(=O)CC1CC(N)C1 Amb33132571 [0,0,0,1,0,0|2,0,1]=4 772 B11R1.201 CCCC(=O)CN1CC(O)C1 Amb27672879 [0,0,0,1,0,0|2,0,1]=4 773 B11R1.201 CCOC(=O)CC1CC(=O)C1 Amb24764656 [0,0,0,1,0,0|2,0,0]=3 774 B11R1.201 CCOC(=O)CC1CC(O)C1 Amb22737535 [0,0,0,1,0,0|2,0,1]=4 775 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 Amb24183444 [0,0,0,1,0,0|2,0,1]=4 776 B11R1.201 CCOC(=O)C[C@H]1C[C@H](O)C1 Amb24183445 [0,0,0,1,0,0|2,0,1]=4 777 B11R1.424 NCC1C(=O)CCCS1(=O)=O Amb18195809 [0,0,0,1,0,0|2,0,1]=4 778 B11R1.565 CC(=O)C1=CCCC(=O)CC1 Amb24357309 [0,0,0,1,0,0|1,0,2]=4 779 B11R1.565 CC(=O)C1CCCC(C)CC1 Amb27459498 [0,0,0,1,0,0|2,0,1]=4 780 B11R1.565 CC(=O)N1CCCC(=O)CC1 Amb13783681 [0,0,0,1,0,0|2,0,0]=3 781 B11R1.565 CC(=O)N1CCCS(=O)CC1 Amb27267342 [0,0,0,1,0,0|3,0,0]=4 782 B11R1.565 CC(=O)N1CCNC(=O)CC1 Amb18183058 [0,0,0,1,0,0|3,0,0]=4 783 B11R1.565 CC(=O)N1CCOC(=O)CC1 Amb28045882 [0,0,0,1,0,0|3,0,0]=4 784 B11R1.565 CC(=O)[C@H]1CCC[C@H](C)CC1 Amb28054029 [0,0,0,1,0,0|2,0,1]=4 785 B11R1.565 CC(C)C1CCCC(=O)CC1 Amb24487595 [0,0,0,1,0,0|2,0,1]=4 786 B11R1.565 CC1CCCC(C(=O)O)CC1 Amb24487583 [0,0,0,1,0,0|1,0,1]=3 787 B11R1.565 CC1CCNC(C(=O)O)CC1 Amb27441897 [0,0,0,1,0,0|2,0,1]=4 788 B11R1.565 CN1CCCC(C(=O)O)CC1 Amb18199975 [0,0,0,1,0,0|2,0,0]=3 789 B11R1.565 CN1CCNC(C(=O)O)CC1 Amb27246780 [0,0,0,1,0,0|3,0,0]=4 790 B11R1.565 NC(=O)C1CCCC(=O)NC1 Amb27963105 [0,0,0,1,0,0|2,0,0]=3 791 B11R1.565 NC(=O)N1CCNC(=O)CC1 Amb18799778 [0,0,0,1,0,0|3,0,0]=4 792 B11R1.565 NC1CCCC(C(=O)O)CC1 Amb33743493 [0,0,0,1,0,0|1,0,1]=3 793 B11R1.565 NC1CCCC(C(=O)O)CC1 Amb33743673 [0,0,0,1,0,0|1,0,1]=3 794 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [0,0,0,1,0,0|1,0,0]=2 795 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [0,0,0,1,0,0|1,0,0]=2 796 B11R1.565 O=C1CCC(C(=O)O)CNN1 Amb27427640 [0,0,0,1,0,0|2,0,0]=3 797 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [0,0,0,1,0,0|0,0,0]=1 798 B11R1.565 O=C1CCCC(C(F)F)CC1 Amb28207881 [0,0,0,1,0,0|2,0,1]=4 799 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [0,0,0,1,0,0|2,0,0]=3 800 B11R1.645 CC(=O)C[C@@H]1CC(=O)C=C1C Amb25143940 [0,0,0,1,0,0|1,0,2]=4 801 B11R1.645 CC1=CC(=O)OC1CC(=O)O Amb18125925 [0,0,0,1,0,0|1,0,2]=4 802 B11R1.645 CC1=CC(C)C(CC(=O)O)C1 Amb18125745 [0,0,0,1,0,0|1,0,1]=3 803 B11R1.645 CC1CC(=O)OC1CC(=O)O Amb28458582 [0,0,0,1,0,0|1,0,0]=2 804 B11R1.645 CC1CC(CC(=O)O)C(C)O1 Amb28249579 [0,0,0,1,0,0|2,0,1]=4 805 B11R1.645 CC1CC(O)CN1CC(=O)O Amb27483321 [0,0,0,1,0,0|1,0,2]=4 806 B11R1.645 CC1CN(C)CC1CC(=O)O Amb27645490 [0,0,0,1,0,0|2,0,0]=3 807 B11R1.645 CN1CC(N)C(CC(=O)O)C1 Amb18199902 [0,0,0,1,0,0|3,0,0]=4 808 B11R1.645 CN1CC(O)C(CC(=O)O)C1 Amb18199871 [0,0,0,1,0,0|3,0,0]=4 809 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18830651 [0,0,0,1,0,0|1,0,0]=2 810 B11R1.645 O=C(O)CC1CC(=O)NC1=O Amb6739994 [0,0,0,1,0,0|2,0,1]=4 811 B11R1.645 O=C(O)CC1CC(=O)OC1=O Amb1091982 [0,0,0,1,0,0|2,0,1]=4 812 B11R1.674 CC1NC(=O)C1CCC(=O)O Amb27790507 [0,0,0,1,0,0|1,0,0]=2 813 B11R1.674 C[C@@H]1NC(=O)[C@H]1CCC(=O)O Amb27852429 [0,0,0,1,0,0|1,0,0]=2 814 B11R1.720 CC(=O)CCCC(C)C1CC1 Amb32729550 [0,0,0,1,0,0|2,0,1]=4 815 B11R1.720 CC(=O)CCNC(=O)C1CC1 Amb17102872 [0,0,0,1,0,0|2,0,0]=3 816 B11R1.720 CC(=O)SCNC(=O)C1CC1 Amb27673432 [0,0,0,1,0,0|3,0,0]=4 817 B11R1.720 CC(CCCC(=O)O)C1CC1 Amb33473957 [0,0,0,1,0,0|1,0,1]=3 818 B11R1.720 CC(COCC(=O)O)C1CC1 Amb32729522 [0,0,0,1,0,0|2,0,1]=4 819 B11R1.720 CC(N)CCCC(=O)C1CC1 Amb33307278 [0,0,0,1,0,0|2,0,1]=4 820 B11R1.720 CC(O)CCNC(=O)C1CC1 Amb27266735 [0,0,0,1,0,0|2,0,1]=4 821 B11R1.720 CC(OCCC(=O)O)C1CC1 Amb32430457 [0,0,0,1,0,0|2,0,1]=4 822 B11R1.720 C[C@@H](O)CCNC(=O)C1CC1 Amb28387030 [0,0,0,1,0,0|2,0,1]=4 823 B11R1.720 C[C@H](O)CCNC(=O)C1CC1 Amb27989034 [0,0,0,1,0,0|2,0,1]=4 824 B11R1.720 C\C(=N/OCC(=O)O)C1CC1 Amb27492400 [0,0,0,1,0,0|3,0,0]=4 825 B11R1.720 NC(=O)CCNC(=O)C1CC1 Amb17232170 [0,0,0,1,0,0|2,0,0]=3 826 B11R1.720 NC(=S)CCNC(=O)C1CC1 Amb17232901 [0,0,0,1,0,0|2,1,0]=4 827 B11R1.720 O=C(Cl)OCOC(=O)C1CC1 Amb32676387 [0,0,0,1,0,0|3,0,0]=4 828 B11R1.720 O=C(O)CCCC(=O)C1CC1 Amb6305217 [0,0,0,1,0,0|0,0,0]=1 829 B11R1.720 O=C(O)CCNC(=O)C1CC1 Amb1120565 [0,0,0,1,0,0|1,0,0]=2 830 B11R1.720 O=C(O)\C=N\NC(=O)C1CC1 Amb27756886 [0,0,0,1,0,0|2,0,1]=4 831 B11R1.816 C=C(C)[C@@H]1C[C@H]1C(=O)CCC Amb27672557 [0,0,0,1,0,0|2,0,0]=3 832 B11R1.816 CCCC(=O)C1CC1C(=O)O Amb25384586 [0,0,0,1,0,0|0,0,0]=1 833 B11R1.816 CCCC(=O)C1OC1C(N)=O Amb26081624 [0,0,0,1,0,0|2,0,0]=3 834 B11R1.816 CCCC(=O)[C@@H]1O[C@@H]1C(N)=O Amb25383052 [0,0,0,1,0,0|2,0,0]=3 835 B11R1.816 CCCC(C)C1CC1C(=O)O Amb26082561 [0,0,0,1,0,0|1,0,1]=3 836 B11R1.816 CCCC(C)C1CC1C(C)=O Amb27671584 [0,0,0,1,0,0|2,0,1]=4 837 B11R1.816 CCCC(C)[C@@H]1C[C@H]1C(=O)O Amb33322343 [0,0,0,1,0,0|1,0,1]=3 838 B11R1.816 CCNC(=O)C1CC1[N+](=O)[O-] Amb27857774 [0,0,0,1,0,0|2,0,1]=4 839 B11R1.816 CCNC(=O)[C@@H]1C[C@@H]1C(=O)O Amb27627222 [0,0,0,1,0,0|1,0,0]=2 840 B11R1.816 CCNC(=O)[C@@H]1C[C@H]1C(=O)O Amb33192486 [0,0,0,1,0,0|1,0,0]=2 841 B11R1.816 CCNC(=O)[C@H]1O[C@@H]1C(=O)O Amb28254425 [0,0,0,1,0,0|2,0,0]=3 842 B11R1.816 CCOC(=O)C1CC1B(O)O Amb24314277 [0,0,0,1,0,0|2,0,1]=4 843 B11R1.816 CCOC(=O)C1CC1C(=O)Cl Amb26990583 [0,0,0,1,0,0|2,0,0]=3 844 B11R1.816 CCOC(=O)C1CC1C(=O)O Amb10068403 [0,0,0,1,0,0|1,0,0]=2 845 B11R1.816 CCOC(=O)C1CC1C(C)=O Amb27672424 [0,0,0,1,0,0|2,0,0]=3 846 B11R1.816 CCOC(=O)C1CC1[N+](=O)[O-] Amb25383936 [0,0,0,1,0,0|2,0,1]=4 847 B11R1.816 CCOC(=O)C1OC1C(=O)Cl Amb24763069 [0,0,0,1,0,0|3,0,0]=4 848 B11R1.816 CCOC(=O)C1OC1C(=O)O Amb27990205 [0,0,0,1,0,0|2,0,0]=3 849 B11R1.816 CCOC(=O)C1OC1C(C)=O Amb27269962 [0,0,0,1,0,0|3,0,0]=4 850 B11R1.816 CCOC(=O)C1OC1C(N)=O Amb25386163 [0,0,0,1,0,0|3,0,0]=4 851 B11R1.816 CCOC(=O)[C@@H]1C[C@@H]1C(=O)O Amb26081202 [0,0,0,1,0,0|1,0,0]=2 852 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1B(O)O Amb27671790 [0,0,0,1,0,0|2,0,1]=4 853 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O Amb26083579 [0,0,0,1,0,0|1,0,0]=2 854 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(C)=O Amb27673582 [0,0,0,1,0,0|2,0,0]=3 855 B11R1.816 CCOC(=O)[C@@H]1O[C@@H]1C(=O)O Amb25384257 [0,0,0,1,0,0|2,0,0]=3 856 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O Amb22736069 [0,0,0,1,0,0|1,0,0]=2 857 B11R1.816 CCOC(=O)[C@H]1O[C@@H]1C(=O)O Amb25383061 [0,0,0,1,0,0|2,0,0]=3 858 B11R1.816 CCOC(C)C1CC1C(=O)O Amb33425707 [0,0,0,1,0,0|2,0,1]=4 859 B11R1.816 CCOC(C)[C@@H]1C[C@H]1C(=O)O Amb33425411 [0,0,0,1,0,0|2,0,1]=4 860 B11R1.816 CC\C=C(/C)[C@@H]1C[C@H]1C(C)=O Amb28351529 [0,0,0,1,0,0|2,0,1]=4 861 B11R1.816 COCC(C)C1CC1C(=O)O Amb27988212 [0,0,0,1,0,0|2,0,1]=4 862 B11R1.816 CONC(=O)[C@@H]1C[C@@H]1C(=O)O Amb27219235 [0,0,0,1,0,0|2,0,0]=3 863 B11R1.824 CCCC(=O)C1CCC1(C)C Amb27797923 [0,0,0,1,0,0|2,0,1]=4 864 B11R1.924 CC(=O)CCCC1(O)CCC1 Amb28079636 [0,0,0,1,0,0|1,0,2]=4 865 B11R1.924 CC1(CCCC(=O)O)COC1 Amb27989338 [0,0,0,1,0,0|2,0,1]=4 866 B11R1.924 CC1(CNCC(=O)O)CCC1 Amb27271467 [0,0,0,1,0,0|2,0,1]=4 867 B11R1.924 CC1(COCC(=O)O)CCC1 Amb27988226 [0,0,0,1,0,0|2,0,1]=4 868 B11R1.924 O=C(O)CCCC1(O)CCC1 Amb28079693 [0,0,0,1,0,0|0,0,2]=3 869 B9R0.48 C#CCC(=O)NCC(=O)O Amb27641047 [0,0,0,0,1,0|1,0,2]=4 870 B9R0.48 C=C(Br)COC(=O)CCC Amb28070432 [0,0,0,0,1,0|3,0,0]=4 871 B9R0.48 C=C(C)CCC(=O)CCN Amb27467366 [0,0,0,0,1,0|3,0,0]=4 872 B9R0.48 C=C(C)CCC(=O)OCC Amb22270105 [0,0,0,0,1,0|3,0,0]=4 873 B9R0.48 C=C(C)COC(=O)CCC Amb27805708 [0,0,0,0,1,0|3,0,0]=4 874 B9R0.48 C=C(CCC)CCC(=O)O Amb27475552 [0,0,0,0,1,0|1,0,0]=2 875 B9R0.48 C=CNC(=O)CCC(=O)O Amb24505247 [0,0,0,0,1,0|1,0,2]=4 876 B9R0.48 CC(CCCl)CCC(=O)O Amb27834348 [0,0,0,0,1,0|2,0,1]=4 877 B9R0.48 CC(CCN)CCC(=O)O Amb18124749 [0,0,0,0,1,0|2,0,1]=4 878 B9R0.48 CC(CCS)CCC(=O)O Amb28291582 [0,0,0,0,1,0|2,0,1]=4 879 B9R0.48 CCCC(=O)CCB(O)O Amb28049896 [0,0,0,0,1,0|1,0,1]=3 880 B9R0.48 CCCC(=O)CCC(C)=O Amb2721037 [0,0,0,0,1,0|1,0,0]=2 881 B9R0.48 CCCC(=O)CCC(C)C Amb9031590 [0,0,0,0,1,0|2,0,1]=4 882 B9R0.48 CCCC(=O)CCC(C)N Amb27866591 [0,0,0,0,1,0|2,0,1]=4 883 B9R0.48 CCCC(=O)CCC(Cl)Cl Amb27658976 [0,0,0,0,1,0|2,0,1]=4 884 B9R0.48 CCCC(=O)CCN(C)C Amb28422505 [0,0,0,0,1,0|3,0,0]=4 885 B9R0.48 CCCC(=O)COC(C)=O Amb28437151 [0,0,0,0,1,0|2,0,0]=3 886 B9R0.48 CCCC(=O)NCC(=O)O Amb5741675 [0,0,0,0,1,0|1,0,0]=2 887 B9R0.48 CCCC(=O)NCC(C)O Amb9275481 [0,0,0,0,1,0|2,0,1]=4 888 B9R0.48 CCCC(=O)NCC(N)=O Amb17231980 [0,0,0,0,1,0|2,0,0]=3 889 B9R0.48 CCCC(=O)NNC(C)=O Amb28453795 [0,0,0,0,1,0|3,0,0]=4 890 B9R0.48 CCCC(=O)OCC(=O)O Amb27655588 [0,0,0,0,1,0|1,0,0]=2 891 B9R0.48 CCCC(=O)OCC(C)=O Amb28350457 [0,0,0,0,1,0|2,0,0]=3 892 B9R0.48 CCCC(=O)OCC(C)O Amb26603876 [0,0,0,0,1,0|2,0,1]=4 893 B9R0.48 CCCC(=O)SCC(=O)O Amb27400351 [0,0,0,0,1,0|1,0,0]=2 894 B9R0.48 CCCC(C)CCC(=O)O Amb28193257 [0,0,0,0,1,0|1,0,1]=3 895 B9R0.48 CCCC(C)CCC(C)=O Amb10807385 [0,0,0,0,1,0|2,0,1]=4 896 B9R0.48 CCCC(C)OCC(=O)O Amb18124782 [0,0,0,0,1,0|2,0,1]=4 897 B9R0.48 CCCC(Cl)CCC(=O)Cl Amb27831367 [0,0,0,0,1,0|2,0,1]=4 898 B9R0.48 CCCC(N)CCC(=O)O Amb1014101 [0,0,0,0,1,0|1,0,1]=3 899 B9R0.48 CCCC(O)CCC(=O)O Amb17689110 [0,0,0,0,1,0|0,0,2]=3 900 B9R0.48 CCCC(O)CCC(=O)[O-] Amb17778117 [0,0,0,0,1,0|0,0,3]=4 901 B9R0.48 CCCC(O)CCC(=O)[O-] Amb2386295 [0,0,0,0,1,0|0,0,3]=4 902 B9R0.48 CCCN(C)CCC(=O)O Amb33546079 [0,0,0,0,1,0|2,0,0]=3 903 B9R0.48 CCCN(C)CCC(=O)O Amb8899165 [0,0,0,0,1,0|2,0,0]=3 904 B9R0.48 CCCN(C)CCC(N)=O Amb27454732 [0,0,0,0,1,0|3,0,0]=4 905 B9R0.48 CCCN(O)CCC(=O)O Amb27196070 [0,0,0,0,1,0|1,0,1]=3 906 B9R0.48 CCCS(=O)CCC(=O)O Amb18792575 [0,0,0,0,1,0|1,0,0]=2 907 B9R0.48 CCCS(=O)NCC(N)=O Amb27613567 [0,0,0,0,1,0|3,0,0]=4 908 B9R0.48 CCC[C@@H](O)CCC(=O)O Amb28050107 [0,0,0,0,1,0|0,0,2]=3 909 B9R0.48 CCC[C@H](C)CCC(=O)O Amb24446759 [0,0,0,0,1,0|1,0,1]=3 910 B9R0.48 CCC[C@H](O)CCC(=O)O Amb27618330 [0,0,0,0,1,0|0,0,2]=3 911 B9R0.48 CCC[C@H](O)CCC(N)=O Amb27765010 [0,0,0,0,1,0|1,0,2]=4 912 B9R0.48 CCNC(=O)CCC(=O)O Amb2967295 [0,0,0,0,1,0|1,0,0]=2 913 B9R0.48 CCNC(=O)CCC(C)=O Amb17334212 [0,0,0,0,1,0|2,0,0]=3 914 B9R0.48 CCNC(=O)CCC(C)O Amb17334243 [0,0,0,0,1,0|2,0,1]=4 915 B9R0.48 CCNC(=O)CCC(N)=O Amb17142864 [0,0,0,0,1,0|2,0,0]=3 916 B9R0.48 CCNC(=O)NCC(=O)O Amb1129570 [0,0,0,0,1,0|2,0,0]=3 917 B9R0.48 CCNC(=O)NCC(C)=O Amb28194385 [0,0,0,0,1,0|3,0,0]=4 918 B9R0.48 CCNC(=O)OCC(=O)O Amb27173452 [0,0,0,0,1,0|2,0,0]=3 919 B9R0.48 CCNC(=O)OCC(C)=O Amb27660754 [0,0,0,0,1,0|3,0,0]=4 920 B9R0.48 CCNC(=O)OCC(N)=O Amb28126696 [0,0,0,0,1,0|3,0,0]=4 921 B9R0.48 CCNC(=O)\C=C/C(=O)O Amb1235096 [0,0,0,0,1,0|1,0,2]=4 922 B9R0.48 CCNC(=O)\C=C\C(=O)O Amb9251696 [0,0,0,0,1,0|1,0,2]=4 923 B9R0.48 CCNC(=S)NCC(=O)O Amb25857780 [0,0,0,0,1,0|2,1,0]=4 924 B9R0.48 CCNC(=S)OCC(=O)O Amb28343116 [0,0,0,0,1,0|2,1,0]=4 925 B9R0.48 CCOC(=O)CCB(O)O Amb25244100 [0,0,0,0,1,0|2,0,1]=4 926 B9R0.48 CCOC(=O)CCC(=O)Cl Amb3939960 [0,0,0,0,1,0|2,0,0]=3 927 B9R0.48 CCOC(=O)CCC(=O)O Amb1151260 [0,0,0,0,1,0|1,0,0]=2 928 B9R0.48 CCOC(=O)CCC(C)=O Amb4605992 [0,0,0,0,1,0|2,0,0]=3 929 B9R0.48 CCOC(=O)CCC(C)O Amb26877286 [0,0,0,0,1,0|2,0,1]=4 930 B9R0.48 CCOC(=O)CCC(N)=O Amb8997750 [0,0,0,0,1,0|2,0,0]=3 931 B9R0.48 CCOC(=O)CCS(=O)Cl Amb25945213 [0,0,0,0,1,0|3,0,0]=4 932 B9R0.48 CCOC(=O)CCS(=O)O Amb24551974 [0,0,0,0,1,0|2,0,0]=3 933 B9R0.48 CCOC(=O)CCS(=O)[O-] Amb26074084 [0,0,0,0,1,0|2,0,1]=4 934 B9R0.48 CCOC(=O)CCS(C)=O Amb18788306 [0,0,0,0,1,0|3,0,0]=4 935 B9R0.48 CCOC(=O)CCS(N)=O Amb32719564 [0,0,0,0,1,0|3,0,0]=4 936 B9R0.48 CCOC(=O)CC[C@@H](C)O Amb27486190 [0,0,0,0,1,0|2,0,1]=4 937 B9R0.48 CCOC(=O)CC[C@H](C)O Amb28370101 [0,0,0,0,1,0|2,0,1]=4 938 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Amb22739667 [0,0,0,0,1,0|2,0,1]=4 939 B9R0.48 CCOC(=O)CNC(C)=O Amb33534694 [0,0,0,0,1,0|3,0,0]=4 940 B9R0.48 CCOC(=O)CNC(N)=O Amb2438049 [0,0,0,0,1,0|3,0,0]=4 941 B9R0.48 CCOC(=O)COC(=O)Cl Amb27803973 [0,0,0,0,1,0|3,0,0]=4 942 B9R0.48 CCOC(=O)NCC(=O)O Amb6246368 [0,0,0,0,1,0|2,0,0]=3 943 B9R0.48 CCOC(=O)NCC(N)=O Amb27392498 [0,0,0,0,1,0|3,0,0]=4 944 B9R0.48 CCOC(=O)OCC(=O)O Amb25367281 [0,0,0,0,1,0|2,0,0]=3 945 B9R0.48 CCOC(=O)\C=C/C(=O)O Amb24462678 [0,0,0,0,1,0|1,0,2]=4 946 B9R0.48 CCOC(=O)\C=C\C(=O)O Amb2189151 [0,0,0,0,1,0|1,0,2]=4 947 B9R0.48 CCOC(=S)NCC(=O)O Amb26481347 [0,0,0,0,1,0|2,1,0]=4 948 B9R0.48 CCOC(=S)SCC(=O)O Amb4017675 [0,0,0,0,1,0|2,1,0]=4 949 B9R0.48 CCOC(C)CCC(=O)O Amb24690847 [0,0,0,0,1,0|2,0,1]=4 950 B9R0.48 CCSC(=O)CCC(C)=O Amb28253786 [0,0,0,0,1,0|2,0,0]=3 951 B9R0.48 CCSC(=O)CNC(C)=O Amb25146289 [0,0,0,0,1,0|3,0,0]=4 952 B9R0.48 CCSC(=S)SCC(=O)O Amb28385725 [0,0,0,0,1,0|2,1,0]=4 953 B9R0.48 CCS\C(S)=N/CC(=O)O Amb21862600 [0,0,0,0,1,0|2,1,0]=4 954 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [0,0,0,0,1,0|1,0,1]=3 955 B9R0.48 CC\C=C(/C)CCC(C)=O Amb27464326 [0,0,0,0,1,0|2,0,1]=4 956 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [0,0,0,0,1,0|1,0,1]=3 957 B9R0.48 CN(CCCl)CCC(=O)O Amb27949173 [0,0,0,0,1,0|3,0,0]=4 958 B9R0.48 CN(CCN)CCC(=O)O Amb28382339 [0,0,0,0,1,0|3,0,0]=4 959 B9R0.48 CN(CCO)CCC(=O)O Amb5774461 [0,0,0,0,1,0|3,0,0]=4 960 B9R0.48 CNCC(=O)NCC(=O)O Amb19010138 [0,0,0,0,1,0|2,0,0]=3 961 B9R0.48 CNOC(=O)CCC(=O)O Amb28126710 [0,0,0,0,1,0|2,0,0]=3 962 B9R0.48 COCC(=O)CCC(=O)O Amb27797755 [0,0,0,0,1,0|1,0,0]=2 963 B9R0.48 COCC(=O)COC(C)=O Amb27599018 [0,0,0,0,1,0|3,0,0]=4 964 B9R0.48 COCC(=O)NCC(=O)O Amb1118442 [0,0,0,0,1,0|2,0,0]=3 965 B9R0.48 COCC(=O)OCC(N)=O Amb27456203 [0,0,0,0,1,0|3,0,0]=4 966 B9R0.48 COCC(Cl)CCC(=O)O Amb27456486 [0,0,0,0,1,0|2,0,1]=4 967 B9R0.48 COCC(N)CCC(=O)O Amb33036364 [0,0,0,0,1,0|2,0,1]=4 968 B9R0.48 COCC(O)CCC(=O)O Amb33036250 [0,0,0,0,1,0|1,0,2]=4 969 B9R0.48 CONC(=O)CCC(=O)O Amb27839045 [0,0,0,0,1,0|2,0,0]=3 970 B9R0.48 CSCC(=O)NCC(N)=O Amb28189006 [0,0,0,0,1,0|3,0,0]=4 971 B9R0.48 CSCC(N)CCC(=O)O Amb33272065 [0,0,0,0,1,0|2,0,1]=4 972 B9R0.48 CSCC(O)CCC(=O)O Amb27490998 [0,0,0,0,1,0|1,0,2]=4 973 B9R0.48 C[C@@H](CCO)CCC(=O)O Amb28250798 [0,0,0,0,1,0|2,0,1]=4 974 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [0,0,0,0,1,0|2,0,1]=4 975 B9R0.48 C\C=C\C(=O)NCC(=O)O Amb9719598 [0,0,0,0,1,0|1,0,2]=4 976 B9R0.48 C\C=C\C(=O)SCC(=O)O Amb27400187 [0,0,0,0,1,0|1,0,2]=4 977 B9R0.48 C\C=N\C(=O)CCC(=O)O Amb27217285 [0,0,0,0,1,0|1,0,1]=3 978 B9R0.48 N#CCC(=O)CCC(=O)O Amb24053663 [0,0,0,0,1,0|1,0,1]=3 979 B9R0.48 NC(CCF)CCC(=O)O Amb33480872 [0,0,0,0,1,0|2,0,1]=4 980 B9R0.48 NCCC(=O)NCC(=O)O Amb28555431 [0,0,0,0,1,0|2,0,0]=3 981 B9R0.48 NCCC(=O)NCC(=O)O Amb4035945 [0,0,0,0,1,0|2,0,0]=3 982 B9R0.48 NCCC(N)CCC(=O)O Amb27390542 [0,0,0,0,1,0|2,0,1]=4 983 B9R0.48 NCNC(=O)CCC(=O)O Amb27753445 [0,0,0,0,1,0|2,0,0]=3 984 B9R0.48 N[C@H](CCS)CCC(=O)O Amb27857300 [0,0,0,0,1,0|2,0,1]=4 985 B9R0.48 O=C(O)CCC(=O)NCO Amb28132582 [0,0,0,0,1,0|2,0,0]=3 986 B9R0.48 O=C(O)CCC(O)CCO Amb28121295 [0,0,0,0,1,0|1,0,2]=4 987 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [0,0,0,0,1,0|1,0,1]=3 988 B11R0.176 C=C(Br)CCCCC(=O)OCC Amb6298919 [0,0,0,0,0,1|3,0,0]=4 989 B11R0.176 C=C(C)CCCCC(=O)OCC Amb6298923 [0,0,0,0,0,1|3,0,0]=4 990 B11R0.176 C=C(Cl)CCCCC(=O)OCC Amb6298915 [0,0,0,0,0,1|3,0,0]=4 991 B11R0.176 CC(=O)NCCNC(=O)CCBr Amb17330603 [0,0,0,0,0,1|3,0,0]=4 992 B11R0.176 CC(=O)NCCNC(=O)CCCl Amb9415120 [0,0,0,0,0,1|3,0,0]=4 993 B11R0.176 CCCC(=O)CCCCC(=O)O Amb6305241 [0,0,0,0,0,1|0,0,0]=1 994 B11R0.176 CCCC(=O)NCCCC(=O)O Amb5741969 [0,0,0,0,0,1|0,0,0]=1 995 B11R0.176 CCOC(=O)CCCCC(=O)O Amb3939942 [0,0,0,0,0,1|1,0,0]=2 996 B11R0.176 CCOC(=O)CCCCC(N)=O Amb33623115 [0,0,0,0,0,1|2,0,0]=3 997 B11R0.176 CCOC(=O)CCCOC(C)=O Amb17613918 [0,0,0,0,0,1|2,0,0]=3 998 B11R0.176 CCOC(=O)NCCCC(=O)O Amb6249852 [0,0,0,0,0,1|1,0,0]=2 999 B11R0.176 O=C(O)CCCC[C@@H](S)CCS Amb24099064 [0,0,0,0,0,1|1,1,1]=4 1000 B8R0.6 C#CCCCC(=O)CC Amb27837514 [2,0,0,0,0,0|1,0,1]=4 1001 B8R0.6 C=C(CC)CCCCO Amb25057130 [2,0,0,0,0,0|1,0,1]=4 1002 B8R0.6 C=CCCCC(=O)CBr Amb27966828 [2,0,0,0,0,0|2,0,0]=4 1003 B8R0.6 C=CCCCC(=O)CC Amb27249620 [2,0,0,0,0,0|1,0,0]=3 1004 B8R0.6 C=CCCCC(=O)OC Amb22730759 [2,0,0,0,0,0|2,0,0]=4 1005 B8R0.6 C=CCOCC(=O)CC Amb27181141 [2,0,0,0,0,0|2,0,0]=4 1006 B8R0.6 C=CCSCC(=O)CC Amb27856651 [2,0,0,0,0,0|2,0,0]=4 1007 B8R0.6 CCC(=O)CCCCO Amb27867195 [2,0,0,0,0,0|0,0,1]=3 1008 B8R0.6 CCC(=O)CSCCO Amb4165967 [2,0,0,0,0,0|1,0,1]=4 1009 B8R0.6 CCC(=O)NCCC=O Amb17102166 [2,0,0,0,0,0|1,0,0]=3 1010 B8R0.6 CCC(=O)NCCCO Amb5797471 [2,0,0,0,0,0|1,0,1]=4 1011 B8R0.6 CCC(=O)OCCCO Amb28138647 [2,0,0,0,0,0|1,0,1]=4 1012 B8R0.6 CCC(C)CCCC=O Amb18642680 [2,0,0,0,0,0|1,0,1]=4 1013 B8R0.6 CCCCCC(=O)CC Amb8513554 [2,0,0,0,0,0|1,0,1]=4 1014 B8R0.6 CC\C(C)=C\CCC=O Amb28131737 [2,0,0,0,0,0|1,0,1]=4 1015 B8R0.6 CNC(=O)CCCCO Amb17231874 [2,0,0,0,0,0|1,0,1]=4 1016 B8R0.6 COC(=O)CCCCO Amb22641583 [2,0,0,0,0,0|1,0,1]=4 1017 B8R0.7 C#CCCCCC(=O)O Amb2721485 [2,0,0,0,0,0|0,0,2]=4 1018 B8R0.7 C=C(C)CCCCCC Amb6298939 [2,0,0,0,0,0|2,0,0]=4 1019 B8R0.7 C=CCCCCC(=O)O Amb6299578 [2,0,0,0,0,0|0,0,2]=4 1020 B8R0.7 CC#CCCCC(=O)O Amb28046337 [2,0,0,0,0,0|0,0,2]=4 1021 B8R0.7 CC(=O)CCCCCBr Amb27401578 [2,0,0,0,0,0|2,0,0]=4 1022 B8R0.7 CC(=O)CCCCCCl Amb26591097 [2,0,0,0,0,0|2,0,0]=4 1023 B8R0.7 CC(=O)CCCCCN Amb22641918 [2,0,0,0,0,0|2,0,0]=4 1024 B8R0.7 CC(=O)CCCCCN Amb24113384 [2,0,0,0,0,0|2,0,0]=4 1025 B8R0.7 CC(=O)CCCCCO Amb27237283 [2,0,0,0,0,0|2,0,0]=4 1026 B8R0.7 CCC#CCCC(=O)O Amb28046178 [2,0,0,0,0,0|0,0,2]=4 1027 B8R0.7 CCCC#CCC(=O)O Amb17593307 [2,0,0,0,0,0|0,0,2]=4 1028 B8R0.7 CCCCC#CC(=O)O Amb2721486 [2,0,0,0,0,0|0,0,2]=4 1029 B8R0.7 CCCCCCB(O)O Amb2722519 [2,0,0,0,0,0|1,0,1]=4 1030 B8R0.7 CCCCCCC(=O)Cl Amb3940244 [2,0,0,0,0,0|1,0,0]=3 1031 B8R0.7 CCCCCCC(=O)O Amb34915914 [2,0,0,0,0,0|0,0,0]=2 1032 B8R0.7 CCCCCCC(=O)O Amb3499439 [2,0,0,0,0,0|0,0,0]=2 1033 B8R0.7 CCCCCCC(=O)[O-] Amb22729026 [2,0,0,0,0,0|0,0,1]=3 1034 B8R0.7 CCCCCCC(C)=O Amb6891961 [2,0,0,0,0,0|1,0,0]=3 1035 B8R0.7 CCCCCCC(C)O Amb3940385 [2,0,0,0,0,0|1,0,1]=4 1036 B8R0.7 CCCCCCC(N)=O Amb8858816 [2,0,0,0,0,0|1,0,0]=3 1037 B8R0.7 CCCCCCC(O)O Amb27451028 [2,0,0,0,0,0|0,0,2]=4 1038 B8R0.7 CCCCCC[C@@H](C)O Amb8513616 [2,0,0,0,0,0|1,0,1]=4 1039 B8R0.7 CCCCCC[N+](=O)[O-] Amb17618424 [2,0,0,0,0,0|1,0,1]=4 1040 B8R0.7 CCCCCNC(N)=O Amb6246936 [2,0,0,0,0,0|2,0,0]=4 1041 B8R0.7 CCCCCOC(=O)Cl Amb10844803 [2,0,0,0,0,0|2,0,0]=4 1042 B8R0.7 CCCCCOC(N)=O Amb27655610 [2,0,0,0,0,0|2,0,0]=4 1043 B8R0.7 CCCCNCC(=O)Cl Amb27189998 [2,0,0,0,0,0|2,0,0]=4 1044 B8R0.7 CCCCNCC(=O)O Amb7766471 [2,0,0,0,0,0|1,0,0]=3 1045 B8R0.7 CCCCNCC(N)=O Amb1126543 [2,0,0,0,0,0|2,0,0]=4 1046 B8R0.7 CCCCNCC(N)=O Amb7969721 [2,0,0,0,0,0|2,0,0]=4 1047 B8R0.7 CCCCOCC(=O)O Amb8514871 [2,0,0,0,0,0|1,0,0]=3 1048 B8R0.7 CCCCOCC(N)=O Amb27855875 [2,0,0,0,0,0|2,0,0]=4 1049 B8R0.7 CCCCSCC(=O)O Amb1138789 [2,0,0,0,0,0|1,0,0]=3 1050 B8R0.7 CCCC\C=C\C(=O)O Amb17778752 [2,0,0,0,0,0|0,0,2]=4 1051 B8R0.7 CCCNCCC(=O)O Amb18633174 [2,0,0,0,0,0|1,0,0]=3 1052 B8R0.7 CCCNCCC(=O)O Amb2372065 [2,0,0,0,0,0|1,0,0]=3 1053 B8R0.7 CCCNCCC(C)=O Amb24700442 [2,0,0,0,0,0|2,0,0]=4 1054 B8R0.7 CCCNCC[PH](=O)O Amb28056179 [2,0,0,0,0,0|2,0,0]=4 1055 B8R0.7 CCCOCCC(=O)O Amb8874502 [2,0,0,0,0,0|1,0,0]=3 1056 B8R0.7 CCCOCCC(C)=O Amb8874915 [2,0,0,0,0,0|2,0,0]=4 1057 B8R0.7 CCCONCC(=O)O Amb27401902 [2,0,0,0,0,0|2,0,0]=4 1058 B8R0.7 CCC\C=C/CC(C)=O Amb27974039 [2,0,0,0,0,0|1,0,1]=4 1059 B8R0.7 CCC\C=C\CC(=O)O Amb18642602 [2,0,0,0,0,0|0,0,1]=3 1060 B8R0.7 CCC\C=C\CC(C)=O Amb33429740 [2,0,0,0,0,0|1,0,1]=4 1061 B8R0.7 CCNCCCC(=O)O Amb30585148 [2,0,0,0,0,0|1,0,0]=3 1062 B8R0.7 CCNCCCC(=O)O Amb6253896 [2,0,0,0,0,0|1,0,0]=3 1063 B8R0.7 CCNCCCC(N)=O Amb24709859 [2,0,0,0,0,0|2,0,0]=4 1064 B8R0.7 CCOCCCC(=O)O Amb6257602 [2,0,0,0,0,0|1,0,0]=3 1065 B8R0.7 CCO\C=N\CC(=O)O Amb27440832 [2,0,0,0,0,0|2,0,0]=4 1066 B8R0.7 CCSCCCC(=O)O Amb6680204 [2,0,0,0,0,0|1,0,0]=3 1067 B8R0.7 CCSCCCC(C)=O Amb9660283 [2,0,0,0,0,0|2,0,0]=4 1068 B8R0.7 CCSSCCC(=O)O Amb27837279 [2,0,0,0,0,0|2,0,0]=4 1069 B8R0.7 CC\C=C/CCC(=O)O Amb25831265 [2,0,0,0,0,0|0,0,1]=3 1070 B8R0.7 CC\C=C\CCC(=O)O Amb18642608 [2,0,0,0,0,0|0,0,1]=3 1071 B8R0.7 CC\C=C\CCC(C)=O Amb24523649 [2,0,0,0,0,0|1,0,1]=4 1072 B8R0.7 CC\C=C\CCC(N)=O Amb27221048 [2,0,0,0,0,0|1,0,1]=4 1073 B8R0.7 CNCCCCC(=O)O Amb10605773 [2,0,0,0,0,0|1,0,0]=3 1074 B8R0.7 CNCCCCC(=O)O Amb24340485 [2,0,0,0,0,0|1,0,0]=3 1075 B8R0.7 CNCCCCC(N)=O Amb27780478 [2,0,0,0,0,0|2,0,0]=4 1076 B8R0.7 CNCCOCC(=O)O Amb18630741 [2,0,0,0,0,0|2,0,0]=4 1077 B8R0.7 COCCCCC(=O)O Amb9207785 [2,0,0,0,0,0|1,0,0]=3 1078 B8R0.7 COCCCCC(C)=O Amb9659801 [2,0,0,0,0,0|2,0,0]=4 1079 B8R0.7 COCCNCC(=O)O Amb19514667 [2,0,0,0,0,0|2,0,0]=4 1080 B8R0.7 COCCNCC(=O)O Amb7766415 [2,0,0,0,0,0|2,0,0]=4 1081 B8R0.7 COCCOCC(=O)O Amb2721259 [2,0,0,0,0,0|2,0,0]=4 1082 B8R0.7 COCCSCC(=O)O Amb6245777 [2,0,0,0,0,0|2,0,0]=4 1083 B8R0.7 COCOCCC(=O)O Amb27784860 [2,0,0,0,0,0|2,0,0]=4 1084 B8R0.7 COCSCCC(=O)O Amb27263382 [2,0,0,0,0,0|2,0,0]=4 1085 B8R0.7 CSCCCCC(=O)O Amb17503764 [2,0,0,0,0,0|1,0,0]=3 1086 B8R0.7 CSCCCCC(C)=O Amb27815140 [2,0,0,0,0,0|2,0,0]=4 1087 B8R0.7 CSCCCCC(N)=O Amb27662727 [2,0,0,0,0,0|2,0,0]=4 1088 B8R0.7 CSCCNCC(=O)O Amb24401934 [2,0,0,0,0,0|2,0,0]=4 1089 B8R0.7 CSCCNCC(=O)O Amb28934977 [2,0,0,0,0,0|2,0,0]=4 1090 B8R0.7 CSCCOCC(=O)O Amb27392229 [2,0,0,0,0,0|2,0,0]=4 1091 B8R0.7 CSCCSCC(=O)O Amb27964765 [2,0,0,0,0,0|2,0,0]=4 1092 B8R0.7 CSC\C=C\CC(=O)O Amb28072070 [2,0,0,0,0,0|1,0,1]=4 1093 B8R0.7 CSSCCCC(=O)O Amb25269470 [2,0,0,0,0,0|2,0,0]=4 1094 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [2,0,0,0,0,0|0,0,1]=3 1095 B8R0.7 C\C=C\CCCC(C)=O Amb24466633 [2,0,0,0,0,0|1,0,1]=4 1096 B8R0.7 C\C=C\CSCC(=O)O Amb9727556 [2,0,0,0,0,0|1,0,1]=4 1097 B8R0.7 N#CCCCCC(=O)O Amb17593332 [2,0,0,0,0,0|1,0,1]=4 1098 B8R0.7 NC(=O)CCCCCBr Amb2685265 [2,0,0,0,0,0|2,0,0]=4 1099 B8R0.7 NC(=O)CCCCCCl Amb27392074 [2,0,0,0,0,0|2,0,0]=4 1100 B8R0.7 NC(=O)CCCCCF Amb27837777 [2,0,0,0,0,0|2,0,0]=4 1101 B8R0.7 NC(=O)CCCCCO Amb22524369 [2,0,0,0,0,0|2,0,0]=4 1102 B8R0.7 NCCCCCC(=O)Cl Amb17142873 [2,0,0,0,0,0|2,0,0]=4 1103 B8R0.7 NCCCCCC(=O)O Amb17607928 [2,0,0,0,0,0|1,0,0]=3 1104 B8R0.7 NCCCCCC(=O)O Amb1905625 [2,0,0,0,0,0|1,0,0]=3 1105 B8R0.7 NCCCCCC(=O)[O-] Amb28990947 [2,0,0,0,0,0|1,0,1]=4 1106 B8R0.7 NCCCOCC(=O)O Amb18111435 [2,0,0,0,0,0|2,0,0]=4 1107 B8R0.7 NCCCOCC(=O)O Amb31217489 [2,0,0,0,0,0|2,0,0]=4 1108 B8R0.7 NCCCSCC(=O)O Amb17500676 [2,0,0,0,0,0|2,0,0]=4 1109 B8R0.7 NCCNCCC(=O)O Amb20668304 [2,0,0,0,0,0|2,0,0]=4 1110 B8R0.7 NCCNCCC(=O)O Amb22058790 [2,0,0,0,0,0|2,0,0]=4 1111 B8R0.7 NCCOCCC(=O)O Amb18630461 [2,0,0,0,0,0|2,0,0]=4 1112 B8R0.7 NCCOCCC(=O)O Amb33330744 [2,0,0,0,0,0|2,0,0]=4 1113 B8R0.7 NCCSCCC(=O)O Amb21988844 [2,0,0,0,0,0|2,0,0]=4 1114 B8R0.7 NOCCCCC(=O)O Amb27596055 [2,0,0,0,0,0|2,0,0]=4 1115 B8R0.7 O=C(Cl)CCCCCBr Amb2685267 [2,0,0,0,0,0|2,0,0]=4 1116 B8R0.7 O=C(Cl)CCCCCCl Amb10844967 [2,0,0,0,0,0|2,0,0]=4 1117 B8R0.7 O=C(Cl)CCCCCO Amb28056558 [2,0,0,0,0,0|2,0,0]=4 1118 B8R0.7 O=C(F)CCCCCCl Amb27173031 [2,0,0,0,0,0|2,0,0]=4 1119 B8R0.7 O=C(O)CCCCCBr Amb2081955 [2,0,0,0,0,0|1,0,0]=3 1120 B8R0.7 O=C(O)CCCCCCl Amb18796646 [2,0,0,0,0,0|1,0,0]=3 1121 B8R0.7 O=C(O)CCCCCF Amb26063796 [2,0,0,0,0,0|1,0,0]=3 1122 B8R0.7 O=C(O)CCCCCI Amb22736492 [2,0,0,0,0,0|1,0,0]=3 1123 B8R0.7 O=C(O)CCCCCO Amb8515991 [2,0,0,0,0,0|1,0,0]=3 1124 B8R0.7 O=C(O)CCCCNO Amb28410171 [2,0,0,0,0,0|2,0,0]=4 1125 B8R0.7 O=C(O)CCNCCF Amb27954272 [2,0,0,0,0,0|2,0,0]=4 1126 B8R0.7 O=C(O)CCNCCO Amb1110010 [2,0,0,0,0,0|2,0,0]=4 1127 B8R0.7 O=C(O)CCNCCS Amb28285239 [2,0,0,0,0,0|2,0,0]=4 1128 B8R0.7 O=C(O)CCOCCBr Amb24057757 [2,0,0,0,0,0|2,0,0]=4 1129 B8R0.7 O=C(O)CCOCCF Amb27807548 [2,0,0,0,0,0|2,0,0]=4 1130 B8R0.7 O=C(O)CCOCCO Amb6680916 [2,0,0,0,0,0|2,0,0]=4 1131 B8R0.7 O=C(O)CCOCCS Amb27226892 [2,0,0,0,0,0|2,0,0]=4 1132 B8R0.7 O=C(O)CCSCCBr Amb27468126 [2,0,0,0,0,0|2,0,0]=4 1133 B8R0.7 O=C(O)CCSCCF Amb27172860 [2,0,0,0,0,0|2,0,0]=4 1134 B8R0.7 O=C(O)CCSCCS Amb18126456 [2,0,0,0,0,0|2,0,0]=4 1135 B8R0.7 O=C(O)CNCCCCl Amb28055692 [2,0,0,0,0,0|2,0,0]=4 1136 B8R0.7 O=C(O)CNCCCF Amb27649256 [2,0,0,0,0,0|2,0,0]=4 1137 B8R0.7 O=C(O)CNCCCO Amb9325805 [2,0,0,0,0,0|2,0,0]=4 1138 B8R0.7 O=C(O)COCCCO Amb28288633 [2,0,0,0,0,0|2,0,0]=4 1139 B8R0.7 O=C(O)C\C=C/CCO Amb28410474 [2,0,0,0,0,0|1,0,1]=4 1140 B8R0.7 O=C(O)C\C=C\CCO Amb27221056 [2,0,0,0,0,0|1,0,1]=4 1141 B8R0.7 O=C(O)C\C=C\CCS Amb27421360 [2,0,0,0,0,0|1,0,1]=4 1142 B8R0.7 O=C([O-])CCCCCO Amb22491268 [2,0,0,0,0,0|1,0,1]=4 1143 B8R0.7 O=CCCCCC(=O)O Amb18642763 [2,0,0,0,0,0|1,0,1]=4 1144 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [2,0,0,0,0,0|1,0,0]=3 1145 B8R0.28 C=C(C)CCCC(C)=O Amb17739959 [2,0,0,0,0,0|2,0,0]=4 1146 B8R0.28 C=C(C)CCCC(N)=O Amb27837767 [2,0,0,0,0,0|2,0,0]=4 1147 B8R0.28 C=C(C)CSCC(=O)O Amb6280447 [2,0,0,0,0,0|2,0,0]=4 1148 B8R0.28 C=C(F)CCCC(=O)O Amb22641515 [2,0,0,0,0,0|1,0,1]=4 1149 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [2,0,0,0,0,0|0,0,0]=2 1150 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [2,0,0,0,0,0|1,0,0]=3 1151 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [2,0,0,0,0,0|1,0,0]=3 1152 B8R0.28 CC(=O)CCC[N+](=O)[O-] Amb18203187 [2,0,0,0,0,0|1,0,1]=4 1153 B8R0.28 CC(=O)CCNC(C)=O Amb17102868 [2,0,0,0,0,0|2,0,0]=4 1154 B8R0.28 CC(=O)CCOC(C)=O Amb4605918 [2,0,0,0,0,0|2,0,0]=4 1155 B8R0.28 CC(=O)CSCC(=O)O Amb26415891 [2,0,0,0,0,0|1,0,0]=3 1156 B8R0.28 CC(=O)CSCC(=O)[O-] Amb20622616 [2,0,0,0,0,0|1,0,1]=4 1157 B8R0.28 CC(=O)CSCC(N)=O Amb27411260 [2,0,0,0,0,0|2,0,0]=4 1158 B8R0.28 CC(=O)NCCC(=O)O Amb1104704 [2,0,0,0,0,0|1,0,0]=3 1159 B8R0.28 CC(=O)NCCC(N)=O Amb8997734 [2,0,0,0,0,0|2,0,0]=4 1160 B8R0.28 CC(=O)NCCS(=O)O Amb27638053 [2,0,0,0,0,0|2,0,0]=4 1161 B8R0.28 CC(=O)NOCC(=O)O Amb25921073 [2,0,0,0,0,0|2,0,0]=4 1162 B8R0.28 CC(=O)OCCC(=O)O Amb18642866 [2,0,0,0,0,0|1,0,0]=3 1163 B8R0.28 CC(=O)OCCC(N)=O Amb25921090 [2,0,0,0,0,0|2,0,0]=4 1164 B8R0.28 CC(=O)SCCC(=O)Cl Amb26637117 [2,0,0,0,0,0|2,0,0]=4 1165 B8R0.28 CC(=O)SCCC(=O)O Amb17607685 [2,0,0,0,0,0|1,0,0]=3 1166 B8R0.28 CC(=O)\C=C\CC(=O)O Amb26900226 [2,0,0,0,0,0|0,0,2]=4 1167 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [2,0,0,0,0,0|1,0,1]=4 1168 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [2,0,0,0,0,0|1,0,1]=4 1169 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [2,0,0,0,0,0|1,0,1]=4 1170 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [2,0,0,0,0,0|1,0,1]=4 1171 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [2,0,0,0,0,0|1,0,1]=4 1172 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [2,0,0,0,0,0|0,0,2]=4 1173 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [2,0,0,0,0,0|2,0,0]=4 1174 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [2,0,0,0,0,0|2,0,0]=4 1175 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [2,0,0,0,0,0|2,0,0]=4 1176 B8R0.28 NC(=O)CCCC(=O)O Amb5718388 [2,0,0,0,0,0|1,0,0]=3 1177 B8R0.28 NC(=O)COCC(=O)O Amb3429648 [2,0,0,0,0,0|2,0,0]=4 1178 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [2,0,0,0,0,0|2,0,0]=4 1179 B8R0.28 NC(=O)NCCC(=O)O Amb6567400 [2,0,0,0,0,0|2,0,0]=4 1180 B8R0.28 NC(=O)SCCC(=O)O Amb28340935 [2,0,0,0,0,0|2,0,0]=4 1181 B8R0.28 NC(=S)CCCC(=O)O Amb27956588 [2,0,0,0,0,0|1,1,0]=4 1182 B8R0.28 O=C(Cl)CCCC(=O)Cl Amb3940242 [2,0,0,0,0,0|2,0,0]=4 1183 B8R0.28 O=C(O)CCCC(=O)O Amb4037276 [2,0,0,0,0,0|1,0,0]=3 1184 B8R0.28 O=C(O)CCC[N+](=O)[O-] Amb24711043 [2,0,0,0,0,0|2,0,0]=4 1185 B8R0.28 O=C(O)CNCC(=O)O Amb3940364 [2,0,0,0,0,0|2,0,0]=4 1186 B8R0.28 O=C(O)COCC(=O)O Amb4433967 [2,0,0,0,0,0|2,0,0]=4 1187 B8R0.28 O=C(O)CSCC(=O)O Amb6608738 [2,0,0,0,0,0|2,0,0]=4 1188 B8R0.28 O=C([O-])COCC(=O)O Amb9787328 [2,0,0,0,0,0|2,0,0]=4 1189 B8R0.4 C=CCCCCCCC Amb3940502 [2,0,0,0,0,0|1,0,1]=4 1190 B8R0.4 CCCCCCCC=O Amb6891949 [2,0,0,0,0,0|0,0,1]=3 1191 B8R0.4 CCCCCCCCO Amb6608788 [2,0,0,0,0,0|0,0,2]=4 1192 B8R0.4 CCCCCOCC=O Amb27230502 [2,0,0,0,0,0|1,0,1]=4 1193 B8R0.4 CCCCOCCC=O Amb27880111 [2,0,0,0,0,0|1,0,1]=4 1194 B8R0.4 CCCOCCCC=O Amb27795367 [2,0,0,0,0,0|1,0,0]=3 1195 B8R0.4 CCCOCCCCO Amb27395455 [2,0,0,0,0,0|1,0,1]=4 1196 B8R0.4 CCCSCCCCO Amb9370795 [2,0,0,0,0,0|1,0,1]=4 1197 B8R0.4 CCCSCCNC=O Amb27630895 [2,0,0,0,0,0|2,0,0]=4 1198 B8R0.4 CCC\C=C\CCC=O Amb33172232 [2,0,0,0,0,0|0,0,1]=3 1199 B8R0.4 CCC\C=C\COC=O Amb22231662 [2,0,0,0,0,0|1,0,1]=4 1200 B8R0.4 CCSCCCCC=O Amb24690525 [2,0,0,0,0,0|1,0,1]=4 1201 B8R0.4 CC\C=C/CCCCO Amb22052636 [2,0,0,0,0,0|0,0,2]=4 1202 B8R0.4 CC\C=C/CCOC=O Amb22230430 [2,0,0,0,0,0|1,0,1]=4 1203 B8R0.4 CC\C=C\CCCC=O Amb33171685 [2,0,0,0,0,0|0,0,1]=3 1204 B8R0.4 CC\C=C\CCOC=O Amb25147211 [2,0,0,0,0,0|1,0,1]=4 1205 B8R0.4 COCCCCCC=O Amb27467958 [2,0,0,0,0,0|1,0,1]=4 1206 B8R0.4 COCOCCCC=O Amb27234488 [2,0,0,0,0,0|2,0,0]=4 1207 B8R0.4 COC\C=C\CCC=O Amb26931864 [2,0,0,0,0,0|1,0,1]=4 1208 B8R0.4 CO\N=C\CCCC=O Amb27408636 [2,0,0,0,0,0|2,0,0]=4 1209 B8R0.4 CSCCCCCC=O Amb27981887 [2,0,0,0,0,0|1,0,1]=4 1210 B8R0.4 O=CCCCCCCBr Amb22755463 [2,0,0,0,0,0|1,0,1]=4 1211 B8R0.4 O=CCCCCCCCl Amb27262031 [2,0,0,0,0,0|1,0,1]=4 1212 B8R0.4 O=CCCC\C=C\CO Amb27169480 [2,0,0,0,0,0|1,0,1]=4 1213 B8R0.4 O=CCC\C=C\CCBr Amb25961650 [2,0,0,0,0,0|1,0,1]=4 1214 B8R0.1 C#CCCC(=O)CCC Amb8869650 [2,0,0,0,0,0|0,0,2]=4 1215 B8R0.1 C=C(CCO)CCC=O Amb28367058 [2,0,0,0,0,0|2,0,0]=4 1216 B8R0.1 C=CCCC(=O)CCC Amb9031599 [2,0,0,0,0,0|0,0,1]=3 1217 B8R0.1 C=CCCC(=O)OCC Amb10601809 [2,0,0,0,0,0|1,0,1]=4 1218 B8R0.1 C=CCOC(=O)CCC Amb3940492 [2,0,0,0,0,0|1,0,1]=4 1219 B8R0.1 CCCC(=O)CCC=O Amb18642627 [2,0,0,0,0,0|0,0,0]=2 1220 B8R0.1 CCCC(=O)CCCF Amb28182770 [2,0,0,0,0,0|1,0,0]=3 1221 B8R0.1 CCCC(=O)CCCN Amb27866597 [2,0,0,0,0,0|1,0,0]=3 1222 B8R0.1 CCCC(=O)C\C=N/O Amb27838762 [2,0,0,0,0,0|1,0,1]=4 1223 B8R0.1 CCCC(=O)C\C=N\O Amb27260514 [2,0,0,0,0,0|1,0,1]=4 1224 B8R0.1 CCCC(=O)NCC=O Amb17102055 [2,0,0,0,0,0|1,0,0]=3 1225 B8R0.1 CCCC(=O)NCCCl Amb17103189 [2,0,0,0,0,0|2,0,0]=4 1226 B8R0.1 CCCC(=O)NCCI Amb27225208 [2,0,0,0,0,0|2,0,0]=4 1227 B8R0.1 CCCC(=O)NCCN Amb6242301 [2,0,0,0,0,0|2,0,0]=4 1228 B8R0.1 CCCC(=O)NCCO Amb5797547 [2,0,0,0,0,0|1,0,0]=3 1229 B8R0.1 CCCC(=O)NNC=O Amb28070383 [2,0,0,0,0,0|2,0,0]=4 1230 B8R0.1 CCCC(=O)OCCBr Amb25087679 [2,0,0,0,0,0|2,0,0]=4 1231 B8R0.1 CCCC(=O)OCCF Amb27448709 [2,0,0,0,0,0|2,0,0]=4 1232 B8R0.1 CCCC(=O)OCCO Amb25937003 [2,0,0,0,0,0|1,0,0]=3 1233 B8R0.1 CCCC(=O)SCCBr Amb27264823 [2,0,0,0,0,0|2,0,0]=4 1234 B8R0.1 CCCC(=O)SCCO Amb27841882 [2,0,0,0,0,0|1,0,0]=3 1235 B8R0.1 CCCC(=O)\C=C\CO Amb27806763 [2,0,0,0,0,0|0,0,2]=4 1236 B8R0.1 CCCC(C)CCC=O Amb25032222 [2,0,0,0,0,0|1,0,1]=4 1237 B8R0.1 CCCC(C)CCCO Amb25135097 [2,0,0,0,0,0|1,0,1]=4 1238 B8R0.1 CCCC(O)CCCO Amb4035231 [2,0,0,0,0,0|0,0,2]=4 1239 B8R0.1 CCCCC(=O)CCC Amb3940685 [2,0,0,0,0,0|0,0,1]=3 1240 B8R0.1 CCCCC(=O)CCN Amb28186730 [2,0,0,0,0,0|1,0,1]=4 1241 B8R0.1 CCCCC(=O)CNC Amb25824276 [2,0,0,0,0,0|1,0,1]=4 1242 B8R0.1 CCCCC(=O)COC Amb19374627 [2,0,0,0,0,0|1,0,1]=4 1243 B8R0.1 CCCCC(=O)CSC Amb27837495 [2,0,0,0,0,0|1,0,1]=4 1244 B8R0.1 CCCCC(=O)OCC Amb6296060 [2,0,0,0,0,0|1,0,1]=4 1245 B8R0.1 CCCOC(=O)CCC Amb8517637 [2,0,0,0,0,0|1,0,1]=4 1246 B8R0.1 CCCS(=O)CCCBr Amb27398529 [2,0,0,0,0,0|2,0,0]=4 1247 B8R0.1 CCC[C@@H](C)CCCO Amb28292905 [2,0,0,0,0,0|1,0,1]=4 1248 B8R0.1 CCC[C@H](C)CCCO Amb28065801 [2,0,0,0,0,0|1,0,1]=4 1249 B8R0.1 CCC[C@H](O)CCCO Amb28049112 [2,0,0,0,0,0|0,0,2]=4 1250 B8R0.1 CCNC(=O)CCC=O Amb27665109 [2,0,0,0,0,0|1,0,0]=3 1251 B8R0.1 CCNC(=O)CCCCl Amb1136094 [2,0,0,0,0,0|2,0,0]=4 1252 B8R0.1 CCNC(=O)CCCN Amb6270972 [2,0,0,0,0,0|2,0,0]=4 1253 B8R0.1 CCNC(=O)CCCO Amb17231872 [2,0,0,0,0,0|1,0,0]=3 1254 B8R0.1 CCNC(=O)NCCO Amb9361462 [2,0,0,0,0,0|2,0,0]=4 1255 B8R0.1 CCOC(=N)CCCO Amb27390716 [2,0,0,0,0,0|2,0,0]=4 1256 B8R0.1 CCOC(=O)CCC=O Amb17593369 [2,0,0,0,0,0|1,0,0]=3 1257 B8R0.1 CCOC(=O)CCCBr Amb3940218 [2,0,0,0,0,0|2,0,0]=4 1258 B8R0.1 CCOC(=O)CCCCl Amb1153203 [2,0,0,0,0,0|2,0,0]=4 1259 B8R0.1 CCOC(=O)CCCN Amb2720231 [2,0,0,0,0,0|2,0,0]=4 1260 B8R0.1 CCOC(=O)CCCN Amb3938993 [2,0,0,0,0,0|2,0,0]=4 1261 B8R0.1 CCOC(=O)CCCO Amb22733346 [2,0,0,0,0,0|1,0,0]=3 1262 B8R0.1 CCOC(=O)CCCS Amb27424650 [2,0,0,0,0,0|1,1,0]=4 1263 B8R0.1 CCOC(=O)CCNO Amb27406192 [2,0,0,0,0,0|2,0,0]=4 1264 B8R0.1 CCOC(=O)CNC=O Amb16232466 [2,0,0,0,0,0|2,0,0]=4 1265 B8R0.1 CCOC(=O)NCCO Amb3939457 [2,0,0,0,0,0|2,0,0]=4 1266 B8R0.1 CCOC(=O)OCCO Amb28072969 [2,0,0,0,0,0|2,0,0]=4 1267 B8R0.1 CCSC(=O)CCCBr Amb27440205 [2,0,0,0,0,0|2,0,0]=4 1268 B8R0.1 CCSC(=O)CCCCl Amb27412565 [2,0,0,0,0,0|2,0,0]=4 1269 B8R0.1 CCSC(=O)CNC=O Amb27873219 [2,0,0,0,0,0|2,0,0]=4 1270 B8R0.1 CC\C=C(\C)CCCO Amb28192896 [2,0,0,0,0,0|1,0,1]=4 1271 B8R0.1 CNCC(=O)NCCO Amb8866820 [2,0,0,0,0,0|2,0,0]=4 1272 B8R0.1 COCC(=O)CCC=O Amb28343164 [2,0,0,0,0,0|1,0,0]=3 1273 B8R0.1 COCC(=O)CCCCl Amb27838444 [2,0,0,0,0,0|2,0,0]=4 1274 B8R0.1 COCC(=O)CCCO Amb27869244 [2,0,0,0,0,0|1,0,0]=3 1275 B8R0.1 COCC(=O)NCCO Amb25828239 [2,0,0,0,0,0|2,0,0]=4 1276 B8R0.1 COCC(=O)OCCO Amb28366893 [2,0,0,0,0,0|2,0,0]=4 1277 B8R0.1 CONC(=O)CCC=O Amb27837664 [2,0,0,0,0,0|2,0,0]=4 1278 B8R0.1 CONC(=O)CCCO Amb27810629 [2,0,0,0,0,0|2,0,0]=4 1279 B8R0.1 C\C=C\C(=O)CCC=O Amb24610089 [2,0,0,0,0,0|0,0,2]=4 1280 B8R0.1 C\C=C\CC(=O)CCC Amb26475319 [2,0,0,0,0,0|1,0,1]=4 1281 B8R0.1 O=C(CCBr)CCCCl Amb24434557 [2,0,0,0,0,0|2,0,0]=4 1282 B8R0.1 O=C(CCBr)NCCO Amb17325574 [2,0,0,0,0,0|2,0,0]=4 1283 B8R0.1 O=C(CCCl)NCCO Amb17326981 [2,0,0,0,0,0|2,0,0]=4 1284 B8R0.1 O=C(CCO)NCCO Amb28197638 [2,0,0,0,0,0|2,0,0]=4 1285 B8R0.1 O=C(CCS)NCCO Amb24417502 [2,0,0,0,0,0|2,0,0]=4 1286 B8R0.1 O=C(CCS)OCCO Amb2721244 [2,0,0,0,0,0|2,0,0]=4 1287 B10R0.44 CCC(=O)NC(C)CC(C)=O Amb28326445 [1,1,0,0,0,0|2,0,0]=4 1288 B10R0.44 CCC(C)CC(O)CC(=O)O Amb33036189 [1,1,0,0,0,0|1,0,1]=4 1289 B10R0.44 CCC(N)CC(C)CC(=O)O Amb32669801 [1,1,0,0,0,0|1,0,1]=4 1290 B10R0.44 CNC(=O)CS(=O)CC(=O)O Amb18796112 [1,1,0,0,0,0|2,0,0]=4 1291 B10R0.44 CNC(=O)NC(C)CC(=O)O Amb18290552 [1,1,0,0,0,0|2,0,0]=4 1292 B10R0.44 COC(=O)CC(C)CC(=O)O Amb2689808 [1,1,0,0,0,0|1,0,0]=3 1293 B10R0.44 COC(=O)CC(C)CC(C)=O Amb32668276 [1,1,0,0,0,0|2,0,0]=4 1294 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33621255 [1,1,0,0,0,0|1,0,0]=3 1295 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33747103 [1,1,0,0,0,0|1,0,0]=3 1296 B10R0.57 CCC(=O)N(C)CCC(=O)O Amb17400039 [1,1,0,0,0,0|1,0,0]=3 1297 B10R0.57 CCC(C)C(N)CCC(=O)O Amb33172378 [1,1,0,0,0,0|1,0,1]=4 1298 B10R0.57 CC[C@H](C)[C@@H](N)CCC(=O)O Amb30526641 [1,1,0,0,0,0|1,0,1]=4 1299 B10R0.57 CNC(=O)C(C)NCC(=O)O Amb9325887 [1,1,0,0,0,0|2,0,0]=4 1300 B10R0.57 CNC(=O)C(C)SCC(=O)O Amb9203226 [1,1,0,0,0,0|2,0,0]=4 1301 B10R0.57 CNC(=O)C(N)CCC(=O)O Amb27987066 [1,1,0,0,0,0|1,0,0]=3 1302 B10R0.57 CNC(=O)N(C)CCC(=O)O Amb18977475 [1,1,0,0,0,0|2,0,0]=4 1303 B10R0.57 CNC(=O)[C@@H](N)CCC(=O)O Amb27671844 [1,1,0,0,0,0|1,0,0]=3 1304 B10R0.57 COC(=O)C(N)CCC(C)=O Amb32645698 [1,1,0,0,0,0|2,0,0]=4 1305 B10R0.57 COC(=O)C(N)CCC(N)=O Amb32752608 [1,1,0,0,0,0|2,0,0]=4 1306 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O Amb8390399 [1,1,0,0,0,0|1,0,0]=3 1307 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O Amb8629195 [1,1,0,0,0,0|2,0,0]=4 1308 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33801734 [1,1,0,0,0,0|1,0,0]=3 1309 B10R0.57 COC(=O)[C@H](N)CCC(=O)O Amb33866552 [1,1,0,0,0,0|1,0,0]=3 1310 B10R0.57 COC(=O)[C@H](N)CCC(=O)[O-] Amb34915024 [1,1,0,0,0,0|1,0,1]=4 1311 B10R0.57 COC(=O)[C@H](N)CCC(N)=O Amb8629196 [1,1,0,0,0,0|2,0,0]=4 1312 B10R0.57 NC(CCC(=O)O)C(=O)NO Amb27987067 [1,1,0,0,0,0|2,0,0]=4 1313 B10R0.57 NNC(=O)C(N)CCC(=O)O Amb27987068 [1,1,0,0,0,0|2,0,0]=4 1314 B10R0.59 CCC(=O)CCCC(=O)OC Amb17593954 [1,1,0,0,0,0|0,0,0]=2 1315 B10R0.59 CNC(=O)CCCC(=O)NC Amb25384409 [1,1,0,0,0,0|2,0,0]=4 1316 B10R0.59 CNC(=O)NCCC(=O)OC Amb27266771 [1,1,0,0,0,0|2,0,0]=4 1317 B10R0.59 COC(=O)CCCC(=O)OC Amb8513144 [1,1,0,0,0,0|1,0,0]=3 1318 B10R0.59 COC(=O)CCNC(=O)CCl Amb5722346 [1,1,0,0,0,0|2,0,0]=4 1319 B10R0.59 COC(=O)CNCC(=O)OC Amb2759492 [1,1,0,0,0,0|2,0,0]=4 1320 B10R0.59 COC(=O)CNCC(=O)OC Amb6707561 [1,1,0,0,0,0|2,0,0]=4 1321 B10R0.59 COC(=O)COCC(=O)OC Amb9787367 [1,1,0,0,0,0|2,0,0]=4 1322 B10R0.59 COC(=O)CSCC(=O)OC Amb839594 [1,1,0,0,0,0|2,0,0]=4 1323 B10R0.59 COC(=O)NCCC(=O)NO Amb27988901 [1,1,0,0,0,0|2,0,0]=4 1324 B10R0.59 O=C(CCCC(=O)NO)NO Amb25383708 [1,1,0,0,0,0|2,0,0]=4 1325 B10R0.60 COC(=O)CCCP(=O)(O)O Amb22831922 [1,1,0,0,0,0|2,0,0]=4 1326 B10R0.65 CCC(C)(C)CCCC(=O)O Amb16233621 [1,1,0,0,0,0|1,0,1]=4 1327 B10R0.65 CCS(=O)(=O)CCCC(=O)O Amb9303285 [1,1,0,0,0,0|1,0,0]=3 1328 B10R0.65 CCS(=O)(=O)NCCC(=O)O Amb1119258 [1,1,0,0,0,0|2,0,0]=4 1329 B10R0.65 CNS(=O)(=O)CCCC(=O)O Amb6741779 [1,1,0,0,0,0|2,0,0]=4 1330 B10R0.77 CCC(CC)CCCC(=O)O Amb33080333 [1,1,0,0,0,0|1,0,1]=4 1331 B10R0.77 CCC(CCCC(=O)O)OC Amb33359882 [1,1,0,0,0,0|0,0,2]=4 1332 B10R0.77 CCN(CC)CCCC(=O)O Amb8455324 [1,1,0,0,0,0|2,0,0]=4 1333 B10R0.82 C=C(CCC(=O)OC)C(=O)O Amb30584741 [1,1,0,0,0,0|1,0,1]=4 1334 B10R0.82 CCC(=O)CCC(C)[N+](=O)[O-] Amb22436809 [1,1,0,0,0,0|1,0,1]=4 1335 B10R0.82 CCC(=O)NC[C@H](O)C(=O)O Amb27670709 [1,1,0,0,0,0|1,0,0]=3 1336 B10R0.82 CCC(C)CCC(C)C(=O)O Amb22641847 [1,1,0,0,0,0|1,0,1]=4 1337 B10R0.82 CCN(C)CC[C@@H](N)C(=O)O Amb32698166 [1,1,0,0,0,0|2,0,0]=4 1338 B10R0.82 CNC(=O)CCC(N)C(=O)O Amb18645293 [1,1,0,0,0,0|1,0,0]=3 1339 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)O Amb27986317 [1,1,0,0,0,0|2,0,0]=4 1340 B10R0.82 CNC(=O)CSC(C)C(=O)O Amb6257259 [1,1,0,0,0,0|2,0,0]=4 1341 B10R0.82 CNC(=O)NCC(C)C(=O)O Amb18300018 [1,1,0,0,0,0|2,0,0]=4 1342 B10R0.82 CNC(=O)SC[C@H](N)C(=O)O Amb17617278 [1,1,0,0,0,0|2,0,0]=4 1343 B10R0.82 COC(=O)CCC(Br)C(=O)O Amb18134592 [1,1,0,0,0,0|1,0,0]=3 1344 B10R0.82 COC(=O)CCC(Cl)C(=O)O Amb32941125 [1,1,0,0,0,0|1,0,0]=3 1345 B10R0.82 COC(=O)CCC(N)C(=O)O Amb9825413 [1,1,0,0,0,0|1,0,0]=3 1346 B10R0.82 COC(=O)CCC(N)C(N)=O Amb31291204 [1,1,0,0,0,0|2,0,0]=4 1347 B10R0.82 COC(=O)CCC(O)C(=O)O Amb32941120 [1,1,0,0,0,0|1,0,0]=3 1348 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb16183875 [1,1,0,0,0,0|1,0,0]=3 1349 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Amb22746068 [1,1,0,0,0,0|1,0,0]=3 1350 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Amb2720571 [1,1,0,0,0,0|1,0,0]=3 1351 B10R0.82 COC(=O)CC[C@H](N)C(=O)[O-] Amb34916015 [1,1,0,0,0,0|1,0,1]=4 1352 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [1,1,0,0,0,0|2,0,0]=4 1353 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb34916457 [1,1,0,0,0,0|2,0,0]=4 1354 B10R0.82 COC(=O)NC[C@H](O)C(=O)O Amb27670721 [1,1,0,0,0,0|2,0,0]=4 1355 B10R0.82 NC(CCC(=O)NO)C(=O)O Amb22350145 [1,1,0,0,0,0|2,0,0]=4 1356 B10R0.82 NC(CNC(=O)CCl)C(=O)O Amb27990068 [1,1,0,0,0,0|2,0,0]=4 1357 B10R0.82 NNC(=O)CCC(N)C(=O)O Amb6366546 [1,1,0,0,0,0|2,0,0]=4 1358 B10R0.82 NNC(=O)CC[C@H](N)C(=O)O Amb25379957 [1,1,0,0,0,0|2,0,0]=4 1359 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O Amb27269199 [1,1,0,0,0,0|2,0,0]=4 1360 B10R0.82 O=C(CCl)NCC(O)C(=O)O Amb27990120 [1,1,0,0,0,0|2,0,0]=4 1361 B10R0.98 CC(=O)CCNC(=O)C(C)C Amb17102871 [1,1,0,0,0,0|2,0,0]=4 1362 B10R0.98 CC(Br)C(=O)NCCC(=O)O Amb27266434 [1,1,0,0,0,0|1,0,0]=3 1363 B10R0.98 CC(Br)C(=O)NCCC(N)=O Amb27987838 [1,1,0,0,0,0|2,0,0]=4 1364 B10R0.98 CC(C)C(=O)CCCC(=O)O Amb6305282 [1,1,0,0,0,0|0,0,0]=2 1365 B10R0.98 CC(C)C(=O)NCCC(=O)O Amb1114300 [1,1,0,0,0,0|1,0,0]=3 1366 B10R0.98 CC(C)C(=O)NCCC(N)=O Amb17232246 [1,1,0,0,0,0|2,0,0]=4 1367 B10R0.98 CC(C)C(=O)NOCC(=O)O Amb27269922 [1,1,0,0,0,0|2,0,0]=4 1368 B10R0.98 CC(C)N(C)CCCC(=O)O Amb7775266 [1,1,0,0,0,0|2,0,0]=4 1369 B10R0.98 CC(Cl)C(=O)NCCC(N)=O Amb9415900 [1,1,0,0,0,0|2,0,0]=4 1370 B10R0.98 CC(N)C(=O)NCCC(=O)O Amb4018751 [1,1,0,0,0,0|1,0,0]=3 1371 B10R0.98 CN(C)C(=O)CCCC(=O)O Amb7770454 [1,1,0,0,0,0|1,0,0]=3 1372 B10R0.98 CN(C)C(=O)COCC(=O)O Amb6408507 [1,1,0,0,0,0|2,0,0]=4 1373 B10R0.98 CN(C)C(=O)CSCC(=O)O Amb426301 [1,1,0,0,0,0|2,0,0]=4 1374 B10R0.98 CN(C)C(=O)NCCC(=O)O Amb18973180 [1,1,0,0,0,0|2,0,0]=4 1375 B10R0.98 C[C@@H](O)C(=O)NCCC(N)=O Amb27988997 [1,1,0,0,0,0|2,0,0]=4 1376 B10R0.98 C[C@H](O)C(=O)NCCC(N)=O Amb28387010 [1,1,0,0,0,0|2,0,0]=4 1377 B10R0.4 CCC#CCCCCC(=O)O Amb27269519 [1,1,0,0,0,0|0,0,2]=4 1378 B10R0.4 CCC#C\C=C\CCC(=O)O Amb26527941 [1,1,0,0,0,0|0,0,2]=4 1379 B10R0.4 CCCC#CCCCC(=O)O Amb27269520 [1,1,0,0,0,0|0,0,1]=3 1380 B10R0.4 CCCC#CCCCC(N)=O Amb28079638 [1,1,0,0,0,0|1,0,1]=4 1381 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [1,1,0,0,0,0|0,0,2]=4 1382 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [1,1,0,0,0,0|1,0,1]=4 1383 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [1,1,0,0,0,0|0,0,1]=3 1384 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [1,1,0,0,0,0|0,0,2]=4 1385 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [1,1,0,0,0,0|1,0,1]=4 1386 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [1,1,0,0,0,0|1,0,1]=4 1387 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [1,1,0,0,0,0|1,0,1]=4 1388 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [1,1,0,0,0,0|1,0,1]=4 1389 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [1,1,0,0,0,0|1,0,1]=4 1390 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [1,1,0,0,0,0|0,0,1]=3 1391 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [1,1,0,0,0,0|0,0,1]=3 1392 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [1,1,0,0,0,0|0,0,2]=4 1393 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [1,1,0,0,0,0|0,0,1]=3 1394 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [1,1,0,0,0,0|0,0,1]=3 1395 B10R0.4 CCCNCCCOC(C)=O Amb18924647 [1,1,0,0,0,0|2,0,0]=4 1396 B10R0.4 CCC\C=C\CCCC(=O)O Amb33079428 [1,1,0,0,0,0|0,0,0]=2 1397 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [1,1,0,0,0,0|0,0,1]=3 1398 B10R0.4 CCOCCOCCC(=O)O Amb6273854 [1,1,0,0,0,0|1,0,1]=4 1399 B10R0.4 CNCCOCCCC(=O)O Amb18106300 [1,1,0,0,0,0|1,0,0]=3 1400 B10R0.4 COCCCNCCC(=O)O Amb8841109 [1,1,0,0,0,0|1,0,1]=4 1401 B10R0.4 COCCCOCCC(=O)O Amb18180046 [1,1,0,0,0,0|1,0,1]=4 1402 B10R0.4 COCCOCCCC(=O)O Amb6271198 [1,1,0,0,0,0|1,0,0]=3 1403 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [1,1,0,0,0,0|0,0,1]=3 1404 B10R0.4 N#CCCNCCCC(=O)O Amb17315317 [1,1,0,0,0,0|1,0,1]=4 1405 B10R0.4 N#CCCSCCCC(=O)O Amb17502410 [1,1,0,0,0,0|1,0,1]=4 1406 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [1,1,0,0,0,0|0,0,1]=3 1407 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [1,1,0,0,0,0|0,0,1]=3 1408 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [1,1,0,0,0,0|1,0,1]=4 1409 B10R0.4 NCCCNCCCC(=O)O Amb18183427 [1,1,0,0,0,0|1,0,0]=3 1410 B10R0.4 NCCCNCCCC(=O)O Amb33172775 [1,1,0,0,0,0|1,0,0]=3 1411 B10R0.4 NCCCOCCCC(=O)O Amb18111568 [1,1,0,0,0,0|1,0,0]=3 1412 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,1,0,0,0,0|1,0,0]=3 1413 B10R0.4 NCCOCCOCC(=O)O Amb10602483 [1,1,0,0,0,0|2,0,0]=4 1414 B10R0.4 NCCOCCOCC(=O)O Amb16232535 [1,1,0,0,0,0|2,0,0]=4 1415 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [1,1,0,0,0,0|0,0,1]=3 1416 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [1,1,0,0,0,0|0,0,1]=3 1417 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [1,1,0,0,0,0|1,0,1]=4 1418 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [1,1,0,0,0,0|1,0,0]=3 1419 B10R0.4 O=C(O)COCCOCCCl Amb33719367 [1,1,0,0,0,0|2,0,0]=4 1420 B10R0.4 O=C(O)COCCOCCO Amb24057830 [1,1,0,0,0,0|2,0,0]=4 1421 B10R0.4 O=C([O-])CCCCCCCO Amb33513015 [1,1,0,0,0,0|0,0,2]=4 1422 B10R0.6 CCCCCC(C)CC(=O)O Amb19375410 [1,1,0,0,0,0|0,0,1]=3 1423 B10R0.6 CCCCCC(N)CC(=O)O Amb21857987 [1,1,0,0,0,0|0,0,1]=3 1424 B10R0.6 CCCCCC(N)CC(=O)O Amb31307614 [1,1,0,0,0,0|0,0,1]=3 1425 B10R0.6 CCCCCC(N)CC(N)=O Amb33255748 [1,1,0,0,0,0|1,0,1]=4 1426 B10R0.6 CCCCCC(O)CC(=O)O Amb18797787 [1,1,0,0,0,0|0,0,1]=3 1427 B10R0.6 CCCCC[C@@H](O)CC(=O)O Amb31308365 [1,1,0,0,0,0|0,0,1]=3 1428 B10R0.6 CCCCC[C@H](O)CC(=O)O Amb33872470 [1,1,0,0,0,0|0,0,1]=3 1429 B10R0.6 CCCSCC(N)CC(=O)O Amb32687888 [1,1,0,0,0,0|1,0,0]=3 1430 B10R0.6 CCC\C=C\C(C)CC(=O)O Amb33448450 [1,1,0,0,0,0|0,0,1]=3 1431 B10R0.6 CCC\C=C\C(N)CC(=O)O Amb33429157 [1,1,0,0,0,0|0,0,1]=3 1432 B10R0.6 CCC\C=C\C(O)CC(=O)O Amb33448690 [1,1,0,0,0,0|0,0,1]=3 1433 B10R0.6 CCC\C=C\[C@@H](O)CC(=O)O Amb33449488 [1,1,0,0,0,0|0,0,1]=3 1434 B10R0.6 CCC\C=C\[C@H](O)CC(=O)O Amb33358660 [1,1,0,0,0,0|0,0,1]=3 1435 B10R0.6 CCSCCC(N)CC(=O)O Amb33254745 [1,1,0,0,0,0|1,0,1]=4 1436 B10R0.6 CSCCCC(N)CC(=O)O Amb33308380 [1,1,0,0,0,0|1,0,1]=4 1437 B10R0.6 NCCCC[C@@H](N)CC(=O)O Amb22746256 [1,1,0,0,0,0|1,0,1]=4 1438 B10R0.6 NCCCC[C@H](N)CC(=O)O Amb16184018 [1,1,0,0,0,0|1,0,1]=4 1439 B10R0.6 NCCCC[C@H](N)CC(=O)O Amb22369388 [1,1,0,0,0,0|1,0,1]=4 1440 B10R0.6 NCCCC[C@H](N)CC(=O)O Amb33929234 [1,1,0,0,0,0|1,0,1]=4 1441 B10R0.22 CCCCCCCP(=O)(O)O Amb9786420 [1,1,0,0,0,0|1,0,1]=4 1442 B10R0.55 CCC(=O)CCCCC(=O)O Amb6305227 [1,1,0,0,0,0|0,0,2]=4 1443 B10R0.55 CCC(C)CCCCC(=O)O Amb24271145 [1,1,0,0,0,0|0,0,1]=3 1444 B10R0.55 O=C(O)CCCCC(F)CBr Amb22547639 [1,1,0,0,0,0|1,0,1]=4 1445 B10R0.74 CCCCCCCC(=O)CC Amb6366429 [1,1,0,0,0,0|1,0,1]=4 1446 B10R0.74 CCCCCCCC(=O)NN Amb6564834 [1,1,0,0,0,0|1,0,1]=4 1447 B10R0.74 CCCCCCCC(=O)NO Amb7764666 [1,1,0,0,0,0|0,0,1]=3 1448 B10R0.74 CCCCCCCC(=O)OC Amb8516706 [1,1,0,0,0,0|0,0,1]=3 1449 B10R0.74 CCSSCCCC(=O)OC Amb33040837 [1,1,0,0,0,0|2,0,0]=4 1450 B10R0.74 COC(=O)CCCCCCBr Amb10604007 [1,1,0,0,0,0|1,0,1]=4 1451 B10R0.74 COC(=O)CCCCCCI Amb32410699 [1,1,0,0,0,0|1,0,1]=4 1452 B10R0.74 COC(=O)CCCCCCN Amb35747961 [1,1,0,0,0,0|1,0,1]=4 1453 B10R0.74 COC(=O)CCCCCCN Amb7762677 [1,1,0,0,0,0|1,0,1]=4 1454 B10R0.74 COC(=O)CCCCCCN Amb7969645 [1,1,0,0,0,0|1,0,1]=4 1455 B10R0.74 COC(=O)CCCCCCO Amb13887312 [1,1,0,0,0,0|1,0,1]=4 1456 B10R0.74 COC(=O)CCCOCCN Amb18109319 [1,1,0,0,0,0|2,0,0]=4 1457 B10R0.74 COC(=O)CCCSCCN Amb8961281 [1,1,0,0,0,0|2,0,0]=4 1458 B10R0.74 COC(=O)CCCSCCO Amb9362988 [1,1,0,0,0,0|2,0,0]=4 1459 B10R0.75 CCCCCCC(Br)C(=O)Br Amb24061160 [1,1,0,0,0,0|1,0,1]=4 1460 B10R0.75 CCCCCCC(C)C(=O)O Amb10843971 [1,1,0,0,0,0|0,0,1]=3 1461 B10R0.75 CCCCCCC(F)C(=O)O Amb32663880 [1,1,0,0,0,0|0,0,1]=3 1462 B10R0.75 CCCCCCC(N)C(=O)O Amb2613445 [1,1,0,0,0,0|0,0,1]=3 1463 B10R0.75 CCCCCCC(N)C(N)=O Amb18791950 [1,1,0,0,0,0|1,0,1]=4 1464 B10R0.75 CCCCCC[C@@H](N)C(=O)O Amb16183913 [1,1,0,0,0,0|0,0,1]=3 1465 B10R0.75 CCCCCC[C@H](N)C(=O)O Amb16183914 [1,1,0,0,0,0|0,0,1]=3 1466 B10R0.75 CCCOCCC(N)C(=O)O Amb18177730 [1,1,0,0,0,0|1,0,0]=3 1467 B10R0.75 CCCOCCC(N)C(N)=O Amb18787994 [1,1,0,0,0,0|2,0,0]=4 1468 B10R0.75 CCCOCC[C@@H](N)C(=O)O Amb33036139 [1,1,0,0,0,0|1,0,0]=3 1469 B10R0.75 CCCOCC[C@H](N)C(=O)O Amb33065384 [1,1,0,0,0,0|1,0,0]=3 1470 B10R0.75 CCC\C=C\CC(=O)C(=O)O Amb33327170 [1,1,0,0,0,0|0,0,2]=4 1471 B10R0.75 CCC\C=C\CC(C)C(=O)O Amb33171981 [1,1,0,0,0,0|0,0,1]=3 1472 B10R0.75 CCC\C=C\CC(N)C(=O)O Amb33327187 [1,1,0,0,0,0|0,0,1]=3 1473 B10R0.75 CCOCCCC(N)C(=O)O Amb33036943 [1,1,0,0,0,0|1,0,1]=4 1474 B10R0.75 CCOCCC[C@@H](N)C(=O)O Amb33065544 [1,1,0,0,0,0|1,0,1]=4 1475 B10R0.75 CCOCCC[C@H](N)C(=O)O Amb33065515 [1,1,0,0,0,0|1,0,1]=4 1476 B10R0.75 CCSCCCC(C)C(=O)O Amb33449009 [1,1,0,0,0,0|1,0,1]=4 1477 B10R0.75 CCSCCCC(N)C(=O)O Amb32865930 [1,1,0,0,0,0|1,0,1]=4 1478 B10R0.75 CCSCCC[C@@H](N)C(=O)O Amb33066174 [1,1,0,0,0,0|1,0,1]=4 1479 B10R0.75 CCSCCC[C@H](N)C(=O)O Amb32937037 [1,1,0,0,0,0|1,0,1]=4 1480 B10R0.75 CC\C=C\CCC(C)C(=O)O Amb33267859 [1,1,0,0,0,0|0,0,1]=3 1481 B10R0.75 CNCCCC[C@H](N)C(=O)O Amb33786042 [1,1,0,0,0,0|1,0,1]=4 1482 B10R0.75 COCCCCC(C)C(=O)O Amb32953450 [1,1,0,0,0,0|1,0,1]=4 1483 B10R0.75 COCCCCC(N)C(=O)O Amb33066324 [1,1,0,0,0,0|1,0,1]=4 1484 B10R0.75 COCCCC[C@@H](N)C(=O)O Amb33308996 [1,1,0,0,0,0|1,0,1]=4 1485 B10R0.75 COCCCC[C@H](N)C(=O)O Amb33036987 [1,1,0,0,0,0|1,0,1]=4 1486 B10R0.75 CSCCCCC(C)C(=O)O Amb32953968 [1,1,0,0,0,0|1,0,1]=4 1487 B10R0.75 NC(CCCCCF)C(=O)O Amb33036467 [1,1,0,0,0,0|1,0,1]=4 1488 B10R0.75 NC(CCCCCO)C(=O)O Amb33037096 [1,1,0,0,0,0|1,0,1]=4 1489 B10R0.75 NC(CCOCCO)C(=O)O Amb33065845 [1,1,0,0,0,0|2,0,0]=4 1490 B10R0.75 NCCOCCC(N)C(=O)O Amb24081026 [1,1,0,0,0,0|2,0,0]=4 1491 B10R0.75 NCCOCCC(N)C(=O)O Amb32652927 [1,1,0,0,0,0|2,0,0]=4 1492 B10R0.75 NCCSCCC(N)C(=O)O Amb32652508 [1,1,0,0,0,0|2,0,0]=4 1493 B10R0.75 NCCSCCC(N)C(=O)O Amb32652509 [1,1,0,0,0,0|2,0,0]=4 1494 B10R0.75 N[C@@H](CCCCCF)C(=O)O Amb33065721 [1,1,0,0,0,0|1,0,1]=4 1495 B10R0.75 N[C@@H](CCCCCO)C(=O)O Amb33308918 [1,1,0,0,0,0|1,0,1]=4 1496 B10R0.75 N[C@@H](CCOCCO)C(=O)O Amb32864914 [1,1,0,0,0,0|2,0,0]=4 1497 B10R0.75 N[C@H](CCCCCF)C(=O)O Amb33036618 [1,1,0,0,0,0|1,0,1]=4 1498 B10R0.75 N[C@H](CCCCCO)C(=O)O Amb33065614 [1,1,0,0,0,0|1,0,1]=4 1499 B10R0.75 N[C@H](CCOCCO)C(=O)O Amb33036125 [1,1,0,0,0,0|2,0,0]=4 1500 B10R0.78 CCCCC(=O)CCC(=O)O Amb6305230 [1,1,0,0,0,0|0,0,2]=4 1501 B10R0.78 CCCCC(C)CCC(=O)O Amb2689572 [1,1,0,0,0,0|0,0,1]=3 1502 B10R0.78 CCCCC(C)CCC(=O)[O-] Amb33513011 [1,1,0,0,0,0|0,0,2]=4 1503 B10R0.78 CCCCC(N)CCC(=O)O Amb33172614 [1,1,0,0,0,0|0,0,1]=3 1504 B10R0.78 CCCCC(O)CCC(=O)O Amb33539237 [1,1,0,0,0,0|0,0,1]=3 1505 B10R0.78 CCCCC(O)CCC(=O)[O-] Amb32674867 [1,1,0,0,0,0|0,0,2]=4 1506 B10R0.78 CCCCN(C)CCC(=O)O Amb5762149 [1,1,0,0,0,0|1,0,1]=4 1507 B10R0.78 CCCNC(=O)CCC(=O)O Amb1783633 [1,1,0,0,0,0|1,0,1]=4 1508 B10R0.78 CCC\C=C(/C)NCC(=O)O Amb27988488 [1,1,0,0,0,0|1,0,1]=4 1509 B10R0.78 CCSCC(N)CCC(=O)O Amb33324077 [1,1,0,0,0,0|1,0,1]=4 1510 B10R0.78 CC\C=C\C(N)CCC(=O)O Amb33268710 [1,1,0,0,0,0|0,0,1]=3 1511 B10R0.78 COCCC(N)CCC(=O)O Amb33377834 [1,1,0,0,0,0|1,0,1]=4 1512 B10R0.78 CSCCC(N)CCC(=O)O Amb33199123 [1,1,0,0,0,0|1,0,1]=4 1513 B10R0.97 C=C(C)CCCCCC(=O)O Amb6299589 [1,1,0,0,0,0|0,0,2]=4 1514 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [1,1,0,0,0,0|0,0,2]=4 1515 B10R0.97 CC(C)CCCCCC(=O)O Amb16232096 [1,1,0,0,0,0|0,0,1]=3 1516 B10R0.97 CC(C)CCCOCC(=O)O Amb7790013 [1,1,0,0,0,0|1,0,1]=4 1517 B10R0.97 CC(C)CCNCCC(=O)O Amb1110986 [1,1,0,0,0,0|1,0,1]=4 1518 B10R0.97 CC(C)CNCCCC(=O)O Amb6252909 [1,1,0,0,0,0|1,0,0]=3 1519 B10R0.97 CC(C)OCCCCC(=O)O Amb9207794 [1,1,0,0,0,0|1,0,1]=4 1520 B10R0.97 CC(O)CCCCCC(=O)O Amb24117232 [1,1,0,0,0,0|0,0,1]=3 1521 B10R0.97 CN(C)CCCCCC(=O)O Amb31307243 [1,1,0,0,0,0|1,0,1]=4 1522 B10R0.97 CN(C)CCCCCC(=O)O Amb32410704 [1,1,0,0,0,0|1,0,1]=4 1523 B10R0.97 C[C@H](O)CC#CCCC(=O)O Amb27241370 [1,1,0,0,0,0|0,0,2]=4 1524 B10R0.1 C=CCCCCC(=O)OCC Amb6298911 [1,1,0,0,0,0|2,0,0]=4 1525 B10R0.1 C=CCCNCC(=O)OCC Amb33545654 [1,1,0,0,0,0|2,0,0]=4 1526 B10R0.1 C=CCCOCC(=O)OCC Amb7793841 [1,1,0,0,0,0|2,0,0]=4 1527 B10R0.1 C=CCNCCC(=O)OCC Amb8867193 [1,1,0,0,0,0|2,0,0]=4 1528 B10R0.1 CCCC(=O)OCCCCO Amb21929137 [1,1,0,0,0,0|0,0,1]=3 1529 B10R0.1 CCCC(=O)OCCCSC Amb31291621 [1,1,0,0,0,0|2,0,0]=4 1530 B10R0.1 CCCCCCC(=O)CCC Amb8513848 [1,1,0,0,0,0|1,0,1]=4 1531 B10R0.1 CCCCCNC(=O)CCC Amb3366667 [1,1,0,0,0,0|1,0,1]=4 1532 B10R0.1 CCOC(=O)CCCCCO Amb3939201 [1,1,0,0,0,0|1,0,1]=4 1533 B10R0.1 CCOC(=O)CCCN=C=O Amb3939386 [1,1,0,0,0,0|1,0,1]=4 1534 B10R0.19 C=CCCC(N)C(=O)OCC Amb32662922 [1,1,0,0,0,0|2,0,0]=4 1535 B10R0.19 CCOC(=O)C(N)CCCO Amb33309108 [1,1,0,0,0,0|1,0,1]=4 1536 B10R0.83 CCCCCC(=O)C(C)CC Amb3940687 [1,1,0,0,0,0|1,0,1]=4 1537 B10R0.91 C=CCCCC(=O)C#CCC Amb28080277 [1,1,0,0,0,0|1,0,1]=4 1538 B10R0.91 CCCCCC(=O)OCCC Amb9242901 [1,1,0,0,0,0|1,0,1]=4 1539 B10R0.91 CCCNC(=O)CSCCO Amb6760946 [1,1,0,0,0,0|1,0,1]=4 1540 B10R0.108 C=CC(N)CCC(=O)OCC Amb33036270 [1,1,0,0,0,0|2,0,0]=4 1541 B10R0.108 C=CC(O)CCC(=O)OCC Amb33036106 [1,1,0,0,0,0|2,0,0]=4 1542 B10R0.108 CCCC(=O)NC[C@@H](O)CO Amb33041808 [1,1,0,0,0,0|1,0,1]=4 1543 B10R0.108 CCCC(=O)OCC(O)CO Amb8516719 [1,1,0,0,0,0|1,0,1]=4 1544 B10R0.26 CC(NC(=O)CCN)C(=O)O Amb18304954 [0,1,0,0,1,0|2,0,0]=4 1545 B10R0.26 CCCC(=O)CC(=O)C(C)=O Amb33130180 [0,1,0,0,1,0|1,0,1]=4 1546 B10R0.26 CCCC(=O)CC(N)C(=O)O Amb33065496 [0,1,0,0,1,0|0,0,0]=2 1547 B10R0.26 CCCC(=O)CC(N)C(N)=O Amb33036932 [0,1,0,0,1,0|1,0,0]=3 1548 B10R0.26 CCCC(=O)C[C@@H](N)C(=O)O Amb33036798 [0,1,0,0,1,0|0,0,0]=2 1549 B10R0.26 CCCC(=O)C[C@H](N)C(=O)O Amb33065790 [0,1,0,0,1,0|0,0,0]=2 1550 B10R0.26 CCCC(=O)NC(C)C(=O)O Amb5741699 [0,1,0,0,1,0|1,0,0]=3 1551 B10R0.26 CCCC(=O)NC(C)C(C)=O Amb27986965 [0,1,0,0,1,0|2,0,0]=4 1552 B10R0.26 CCCC(=O)N[C@@H](C)C(=O)O Amb18179870 [0,1,0,0,1,0|1,0,0]=3 1553 B10R0.26 CCCC(C)CC(C)C(=O)O Amb18799967 [0,1,0,0,1,0|1,0,1]=4 1554 B10R0.26 CCCC(C)CC(N)C(=O)O Amb18183357 [0,1,0,0,1,0|1,0,1]=4 1555 B10R0.26 CCCC(C)CC(O)C(=O)O Amb33353286 [0,1,0,0,1,0|1,0,1]=4 1556 B10R0.26 CCCC(C)C[C@@H](N)C(=O)O Amb33065585 [0,1,0,0,1,0|1,0,1]=4 1557 B10R0.26 CCCC(C)C[C@H](N)C(=O)O Amb33127579 [0,1,0,0,1,0|1,0,1]=4 1558 B10R0.26 CCCS(=O)C[C@@H](N)C(=O)O Amb22904243 [0,1,0,0,1,0|1,0,0]=3 1559 B10R0.26 CCNC(=O)CC(C)C(N)=O Amb17334425 [0,1,0,0,1,0|2,0,0]=4 1560 B10R0.26 CCNC(=O)CC(N)C(=O)O Amb27990016 [0,1,0,0,1,0|1,0,0]=3 1561 B10R0.26 CCNC(=O)CC(O)C(N)=O Amb27272122 [0,1,0,0,1,0|2,0,0]=4 1562 B10R0.26 CCOC(=O)CC(Br)C(=O)O Amb18659113 [0,1,0,0,1,0|1,0,0]=3 1563 B10R0.26 CCOC(=O)CC(Br)C(C)=O Amb17406255 [0,1,0,0,1,0|2,0,0]=4 1564 B10R0.26 CCOC(=O)CC(N)C(=O)O Amb4017449 [0,1,0,0,1,0|1,0,0]=3 1565 B10R0.26 CCOC(=O)CC(N)C(=O)O Amb4019239 [0,1,0,0,1,0|1,0,0]=3 1566 B10R0.26 CCOC(=O)CC(O)C(=O)O Amb33362320 [0,1,0,0,1,0|1,0,0]=3 1567 B10R0.26 CCOC(=O)C[C@H](Br)C(=O)O Amb32653240 [0,1,0,0,1,0|1,0,0]=3 1568 B10R0.26 CCOC(=O)NC(C)C(=O)O Amb6248353 [0,1,0,0,1,0|2,0,0]=4 1569 B10R0.26 CCOC(=O)N[C@H](C)C(=O)O Amb24761982 [0,1,0,0,1,0|2,0,0]=4 1570 B10R0.26 CCSC(=O)N[C@@H](C)C(=O)O Amb27990273 [0,1,0,0,1,0|2,0,0]=4 1571 B10R0.26 COCC(=O)CC(N)C(=O)O Amb32789418 [0,1,0,0,1,0|1,0,0]=3 1572 B10R0.26 COCC(=O)CC(N)C(N)=O Amb33065478 [0,1,0,0,1,0|2,0,0]=4 1573 B10R0.26 COCC(=O)C[C@@H](N)C(=O)O Amb33308520 [0,1,0,0,1,0|1,0,0]=3 1574 B10R0.26 COCC(=O)C[C@H](N)C(=O)O Amb33036839 [0,1,0,0,1,0|1,0,0]=3 1575 B10R0.26 COCC(=O)NC(C)C(=O)O Amb9705107 [0,1,0,0,1,0|2,0,0]=4 1576 B10R0.26 COCC(=O)N[C@@H](C)C(=O)O Amb18179995 [0,1,0,0,1,0|2,0,0]=4 1577 B10R0.26 CSCC(=O)NC(C)C(=O)O Amb6743913 [0,1,0,0,1,0|2,0,0]=4 1578 B10R0.26 C[C@@H](NC(=O)CCN)C(=O)O Amb18179956 [0,1,0,0,1,0|2,0,0]=4 1579 B10R0.26 C[C@@H](NC(=O)CCS)C(=O)O Amb27271136 [0,1,0,0,1,0|2,0,0]=4 1580 B10R0.26 C[C@H](NC(=O)CCN)C(=O)O Amb26660401 [0,1,0,0,1,0|2,0,0]=4 1581 B10R0.32 C=C(CC(=O)O)C(=O)OCC Amb24086592 [0,1,0,0,1,0|1,0,1]=4 1582 B10R0.32 CCCC(=O)N(C)CC(=O)O Amb6249124 [0,1,0,0,1,0|1,0,0]=3 1583 B10R0.32 CCCC(=O)N(C)CC(N)=O Amb17232247 [0,1,0,0,1,0|2,0,0]=4 1584 B10R0.32 CCCC(C)C(C)CC(=O)O Amb33473817 [0,1,0,0,1,0|1,0,1]=4 1585 B10R0.32 CCCC(C)C(N)CC(=O)O Amb2423447 [0,1,0,0,1,0|1,0,1]=4 1586 B10R0.32 CCCC(C)C(O)CC(=O)O Amb18797789 [0,1,0,0,1,0|1,0,1]=4 1587 B10R0.32 CCCC(C)[C@@H](O)CC(=O)O Amb33319032 [0,1,0,0,1,0|1,0,1]=4 1588 B10R0.32 CCCC(C)[C@H](O)CC(=O)O Amb33318872 [0,1,0,0,1,0|1,0,1]=4 1589 B10R0.32 CCNC(=O)C(C)CC(N)=O Amb17334427 [0,1,0,0,1,0|2,0,0]=4 1590 B10R0.32 CCNC(=O)C(N)CC(=O)O Amb18224398 [0,1,0,0,1,0|1,0,0]=3 1591 B10R0.32 CCNC(=O)[C@H](N)CC(N)=O Amb28080086 [0,1,0,0,1,0|2,0,0]=4 1592 B10R0.32 CCOC(=O)C(N)CC(C)=O Amb32653477 [0,1,0,0,1,0|2,0,0]=4 1593 B10R0.32 CCOC(=O)C(N)CC(C)=O Amb32653478 [0,1,0,0,1,0|2,0,0]=4 1594 B10R0.32 CCOC(=O)N(C)CC(=O)O Amb6251129 [0,1,0,0,1,0|2,0,0]=4 1595 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O Amb22745898 [0,1,0,0,1,0|1,0,0]=3 1596 B10R0.32 COCC(=O)N(C)CC(=O)O Amb1120074 [0,1,0,0,1,0|2,0,0]=4 1597 B10R0.32 CONC(=O)C(N)CC(=O)O Amb27670779 [0,1,0,0,1,0|2,0,0]=4 1598 B10R0.96 CC(=O)CC(=O)NCC(=O)O Amb19011373 [0,1,0,0,1,0|1,0,1]=4 1599 B10R0.96 CC(=O)CCC(=O)NC(C)C Amb17334411 [0,1,0,0,1,0|2,0,0]=4 1600 B10R0.96 CC(=O)CNC(=O)CC(C)C Amb27818490 [0,1,0,0,1,0|2,0,0]=4 1601 B10R0.96 CC(=O)NCC(=O)CC(C)C Amb23555706 [0,1,0,0,1,0|2,0,0]=4 1602 B10R0.96 CC(C)CC(=O)NCC(=O)Cl Amb5742026 [0,1,0,0,1,0|2,0,0]=4 1603 B10R0.96 CC(C)CC(=O)NCC(=O)O Amb1113772 [0,1,0,0,1,0|1,0,0]=3 1604 B10R0.96 CC(C)CC(=O)NCC(N)=O Amb17232244 [0,1,0,0,1,0|2,0,0]=4 1605 B10R0.96 CC(C)CC(=O)\C=C\C(=O)O Amb25386198 [0,1,0,0,1,0|0,0,2]=4 1606 B10R0.96 CC(C)CC(N)CCC(=O)O Amb18177652 [0,1,0,0,1,0|1,0,1]=4 1607 B10R0.96 CC(C)CC(O)CCC(=O)O Amb18797782 [0,1,0,0,1,0|0,0,2]=4 1608 B10R0.96 CC(C)CN(C)CCC(=O)O Amb8900038 [0,1,0,0,1,0|2,0,0]=4 1609 B10R0.96 CC(C)NC(=O)CCC(N)=O Amb17142886 [0,1,0,0,1,0|2,0,0]=4 1610 B10R0.96 CC(C)NC(=O)NCC(=O)O Amb1129399 [0,1,0,0,1,0|2,0,0]=4 1611 B10R0.96 CC(Cl)CC(=O)NCC(=O)O Amb27990069 [0,1,0,0,1,0|1,0,0]=3 1612 B10R0.96 CN(C)NC(=O)CCC(=O)O Amb2774317 [0,1,0,0,1,0|2,0,0]=4 1613 B10R0.105 CCCS(=O)(=O)CCC(=O)O Amb6281323 [0,1,0,0,1,0|1,0,0]=3 1614 B10R0.105 CCCS(=O)(=O)NCC(=O)O Amb1110113 [0,1,0,0,1,0|2,0,0]=4 1615 B10R0.105 O=C(O)CCS(=O)(=O)CCCl Amb22359198 [0,1,0,0,1,0|2,0,0]=4 1616 B10R0.109 CCCC(=O)NCP(=O)(O)O Amb24764557 [0,1,0,0,1,0|2,0,0]=4 1617 B12R0.54 CCNC(=O)C(C)SCCC(=O)O Amb9203233 [0,1,0,0,0,1|1,0,0]=3 1618 B12R0.54 CCOC(=O)C(N)CCCC(C)=O Amb33065864 [0,1,0,0,0,1|2,0,0]=4 1619 B12R0.54 CCOC(=O)N(C)CCCC(=O)O Amb9203967 [0,1,0,0,0,1|1,0,0]=3 1620 B12R0.95 CC(=O)NCCNC(=O)CCCCl Amb17330593 [0,1,0,0,0,1|2,0,0]=4 1621 B12R0.95 CCCCC(=O)CCCCC(=O)O Amb6305232 [0,1,0,0,0,1|0,0,0]=2 1622 B12R0.95 CCCCC(=O)NCCCC(=O)O Amb5741970 [0,1,0,0,0,1|0,0,0]=2 1623 B12R0.172 CCCS(=O)(=O)CCCCC(=O)O Amb9303342 [0,1,0,0,0,1|1,0,0]=3 1624 B12R0.172 CCCS(=O)(=O)NCCCC(=O)O Amb1121368 [0,1,0,0,0,1|1,0,0]=3 1625 B12R0.270 CC(C)=CC(=O)NCCCC(=O)O Amb9212212 [0,1,0,0,0,1|0,0,2]=4 1626 B12R0.270 CC(C)CC(=O)NCCCC(=O)O Amb1111465 [0,1,0,0,0,1|0,0,0]=2 1627 B12R0.272 CCCC(C)CCC(C)CC(=O)O Amb32412877 [0,1,0,0,0,1|1,0,1]=4 1628 B12R0.272 CCOC(=O)CCC(=O)CC(C)=O Amb32753714 [0,1,0,0,0,1|2,0,0]=4 1629 B12R0.276 C=CC(=O)CCCCC(=O)OCC Amb2695125 [0,1,0,0,0,1|2,0,0]=4 1630 B12R0.276 CCOC(=O)CCCCC(=O)CC Amb6305808 [0,1,0,0,0,1|2,0,0]=4 1631 B12R0.276 CCOC(=O)CCCNC(=O)CCl Amb1216562 [0,1,0,0,0,1|2,0,0]=4 1632 B12R0.276 COC(=O)CCCNC(=O)CCBr Amb17326232 [0,1,0,0,0,1|1,0,0]=3 1633 B12R0.279 CCCC(=O)CSCC(=O)C(=O)O Amb33069916 [0,1,0,0,0,1|0,0,1]=3 1634 B12R0.279 CCOC(=O)CSCC(=O)C(=O)O Amb33069691 [0,1,0,0,0,1|1,0,1]=4 1635 B12R0.279 COCC(=O)CSCC(=O)C(=O)O Amb33069912 [0,1,0,0,0,1|1,0,1]=4 1636 B12R0.2 CCSCC(N)CC(C)CC(=O)O Amb32669810 [0,2,0,0,0,0|1,0,1]=4 1637 B12R0.3 CC(C)NC(=O)CN(C)CC(=O)O Amb2346396 [0,2,0,0,0,0|2,0,0]=4 1638 B12R0.3 CC(C)NC(=O)CN(C)CC(=O)O Amb2371238 [0,2,0,0,0,0|2,0,0]=4 1639 B12R0.68 CCCC(=O)CC(=O)CC(=O)OC Amb21963012 [0,2,0,0,0,0|0,0,1]=3 1640 B12R0.563 CCC(C)C(N)CC(C)CC(=O)O Amb32669808 [0,2,0,0,0,0|1,0,1]=4 1641 B12R0.744 CCOC(=O)CC(C)(C)CC(=O)O Amb28556004 [0,2,0,0,0,0|1,0,0]=3 1642 B12R0.140 CC(C)(C)CC(=O)NCCC(=O)O Amb1133472 [0,2,0,0,0,0|1,0,0]=3 1643 B12R0.140 CC(C)(C)NC(=O)NCCC(=O)O Amb6747396 [0,2,0,0,0,0|2,0,0]=4 1644 B12R0.140 CC(C)(C)OC(=O)CCCC(=O)O Amb16232622 [0,2,0,0,0,0|1,0,0]=3 1645 B12R0.140 CC(C)(C)OC(=O)CNCC(=O)O Amb34913881 [0,2,0,0,0,0|2,0,0]=4 1646 B12R0.140 CC(C)(C)OC(=O)COCC(=O)O Amb26304189 [0,2,0,0,0,0|2,0,0]=4 1647 B12R0.140 CC(C)(C)OC(=O)CSCC(=O)O Amb9008511 [0,2,0,0,0,0|2,0,0]=4 1648 B12R0.258 CC(C)NC(=O)C(C)SCC(=O)O Amb9203050 [0,2,0,0,0,0|2,0,0]=4 1649 B12R0.258 CC(C)NC(=O)C(N)CCC(N)=O Amb22261479 [0,2,0,0,0,0|2,0,0]=4 1650 B12R0.687 CC(C)NC(=O)CC[C@H](N)C(=O)O Amb33872093 [0,2,0,0,0,0|1,0,0]=3 1651 B12R0.697 CC(C)CS(=O)(=O)CCCC(=O)O Amb9303300 [0,2,0,0,0,0|1,0,0]=3 1652 B12R0.164 CCCC(CCC)CCCC(=O)O Amb33172703 [0,2,0,0,0,0|1,0,1]=4 1653 B12R0.164 CCCN(CCC)CCCC(=O)O Amb33551583 [0,2,0,0,0,0|2,0,0]=4 1654 B12R0.164 CCCN(CCC)CCCC(=O)O Amb5762241 [0,2,0,0,0,0|2,0,0]=4 1655 B12R0.299 CCCN(CC)CC[C@@H](N)C(=O)O Amb32698168 [0,2,0,0,0,0|2,0,0]=4 1656 B12R0.76 CCCC(=O)C(C)CC(C)C(=O)O Amb32759406 [0,2,0,0,0,0|0,0,0]=2 1657 B12R0.76 CCNC(=O)C(C)SC(C)C(=O)O Amb9203230 [0,2,0,0,0,0|2,0,0]=4 1658 B12R0.76 CCOC(=O)C(C)CC(C)C(=O)O Amb29837903 [0,2,0,0,0,0|1,0,0]=3 1659 B12R0.98 CCCNC(=O)C(C)SCC(=O)O Amb9203337 [0,2,0,0,0,0|1,0,0]=3 1660 B12R0.193 CCCC(C)C(N)CCC(=O)OC Amb33321125 [0,2,0,0,0,0|1,0,1]=4 1661 B12R0.417 CCOC(=O)C(F)(F)CCC(C)=O Amb32430597 [0,2,0,0,0,0|2,0,0]=4 1662 B12R0.176 COC(=O)CCCS(=O)(=O)CCN Amb17500611 [0,2,0,0,0,0|2,0,0]=4 1663 B12R0.176 COC(=O)CCCS(=O)(=O)CCO Amb17502748 [0,2,0,0,0,0|2,0,0]=4 1664 B12R0.331 CCCCS(=O)(=O)CCCC(=O)O Amb9479725 [0,2,0,0,0,0|1,0,0]=3 1665 B12R0.331 CCCCS(=O)(=O)NCCC(=O)O Amb1117386 [0,2,0,0,0,0|2,0,0]=4 1666 B12R0.331 N#CCCS(=O)(=O)CCCC(=O)O Amb17502555 [0,2,0,0,0,0|1,0,1]=4 1667 B12R0.331 NCCCS(=O)(=O)CCCC(=O)O Amb17500859 [0,2,0,0,0,0|1,0,0]=3 1668 B12R0.432 CCCS(=O)(=O)CCC(N)C(=O)O Amb33065742 [0,2,0,0,0,0|1,0,0]=3 1669 B12R0.432 CCCS(=O)(=O)CCC(N)C(N)=O Amb32789442 [0,2,0,0,0,0|2,0,0]=4 1670 B12R0.432 CCCS(=O)(=O)CC[C@@H](N)C(=O)O Amb33065591 [0,2,0,0,0,0|1,0,0]=3 1671 B12R0.432 CCCS(=O)(=O)CC[C@H](N)C(=O)O Amb33034713 [0,2,0,0,0,0|1,0,0]=3 1672 B12R0.266 CCOC(=O)CCC(F)(F)C(=O)[O-] Amb33330646 [0,2,0,0,0,0|1,0,1]=4 1673 B12R0.677 CCN(CC)C(=O)CCCC(=O)O Amb1115250 [0,2,0,0,0,0|1,0,0]=3 1674 B12R0.677 CCN(CC)C(=O)COCC(=O)O Amb1828122 [0,2,0,0,0,0|2,0,0]=4 1675 B12R0.677 CCN(CC)C(=O)CSCC(=O)O Amb30041 [0,2,0,0,0,0|2,0,0]=4 1676 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O Amb19060266 [0,2,0,0,0,0|1,0,1]=4 1677 B12R0.102 CCCNC(=O)CCNC(=O)CBr Amb17332147 [0,2,0,0,0,0|2,0,0]=4 1678 B12R0.102 COC(=O)CCNC(=O)NCCN Amb32411114 [0,2,0,0,0,0|2,0,0]=4 1679 B12R0.104 O=C(CCCCl)NCCS(=O)(=O)O Amb17327250 [0,2,0,0,0,0|2,0,0]=4 1680 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [0,2,0,0,0,0|0,0,0]=2 1681 B12R0.233 CCCCNC(=O)COCC(=O)O Amb1888825 [0,2,0,0,0,0|1,0,0]=3 1682 B12R0.285 CCCC(=O)CCCC(=O)OCC Amb6305822 [0,2,0,0,0,0|0,0,0]=2 1683 B12R0.285 CCOC(=O)CCCC(=O)OCC Amb9787335 [0,2,0,0,0,0|1,0,0]=3 1684 B12R0.285 CCOC(=O)CNCC(=O)OCC Amb28467072 [0,2,0,0,0,0|2,0,0]=4 1685 B12R0.285 CCOC(=O)CNCC(=O)OCC Amb3941389 [0,2,0,0,0,0|2,0,0]=4 1686 B12R0.285 CCOC(=O)COCC(=O)OCC Amb4016931 [0,2,0,0,0,0|2,0,0]=4 1687 B12R0.285 CCOC(=O)CSCC(=O)OCC Amb4020689 [0,2,0,0,0,0|2,0,0]=4 1688 B10R1.13 C=C1CCC(C(=O)O)CC1 Amb15695314 [1,0,0,1,0,0|1,0,0]=3 1689 B10R1.13 CC(=O)C1CCC(=O)CC1 Amb27597007 [1,0,0,1,0,0|1,0,0]=3 1690 B10R1.13 CC(=O)N1CCC(=O)CC1 Amb2582739 [1,0,0,1,0,0|2,0,0]=4 1691 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [1,0,0,1,0,0|1,0,1]=4 1692 B10R1.13 CC1CCC(C(=O)O)CC1 Amb6456606 [1,0,0,1,0,0|1,0,1]=4 1693 B10R1.13 CN1CCC(C(=O)O)CC1 Amb2236137 [1,0,0,1,0,0|2,0,0]=4 1694 B10R1.13 CN1CCC(C(=O)O)CC1 Amb2237314 [1,0,0,1,0,0|2,0,0]=4 1695 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 Amb10843977 [1,0,0,1,0,0|1,0,1]=4 1696 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 Amb3939943 [1,0,0,1,0,0|1,0,1]=4 1697 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [1,0,0,1,0,0|1,0,0]=3 1698 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [1,0,0,1,0,0|2,0,0]=4 1699 B10R1.13 NC(=O)N1CCC(=O)CC1 Amb1158070 [1,0,0,1,0,0|2,0,0]=4 1700 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb27760065 [1,0,0,1,0,0|2,0,0]=4 1701 B10R1.13 NC1=NCC(C(=O)O)CC1 Amb28555528 [1,0,0,1,0,0|2,0,0]=4 1702 B10R1.13 NC1CCC(C(=O)O)CC1 Amb2699182 [1,0,0,1,0,0|1,0,1]=4 1703 B10R1.13 NC1CCC(C(=O)O)CC1 Amb6739811 [1,0,0,1,0,0|1,0,1]=4 1704 B10R1.13 NS(=O)C1CCC(=O)CC1 Amb32720481 [1,0,0,1,0,0|2,0,0]=4 1705 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 Amb10070763 [1,0,0,1,0,0|1,0,1]=4 1706 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 Amb33524039 [1,0,0,1,0,0|1,0,1]=4 1707 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Amb33524062 [1,0,0,1,0,0|1,0,1]=4 1708 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 Amb8631309 [1,0,0,1,0,0|1,0,1]=4 1709 B10R1.13 O=C(O)C1CC=C(Br)CC1 Amb26015030 [1,0,0,1,0,0|1,0,1]=4 1710 B10R1.13 O=C(O)C1CC=C(F)CC1 Amb27628828 [1,0,0,1,0,0|1,0,1]=4 1711 B10R1.13 O=C(O)C1CCC(Br)CC1 Amb27239245 [1,0,0,1,0,0|1,0,1]=4 1712 B10R1.13 O=C(O)C1CCC(Cl)CC1 Amb18126347 [1,0,0,1,0,0|1,0,1]=4 1713 B10R1.13 O=C(O)C1CCC(F)CC1 Amb20670645 [1,0,0,1,0,0|1,0,1]=4 1714 B10R1.13 O=C(O)C1CCC(I)CC1 Amb27443730 [1,0,0,1,0,0|1,0,1]=4 1715 B10R1.13 O=C(O)C1CCC(O)CC1 Amb2720801 [1,0,0,1,0,0|0,0,2]=4 1716 B10R1.13 O=C(O)C1CCC(S)CC1 Amb26844518 [1,0,0,1,0,0|0,1,1]=4 1717 B10R1.13 O=C(O)C1CCN(Cl)CC1 Amb28458328 [1,0,0,1,0,0|2,0,0]=4 1718 B10R1.13 O=C(O)C1CCS(=O)CC1 Amb25295426 [1,0,0,1,0,0|1,0,0]=3 1719 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 Amb28042515 [1,0,0,1,0,0|1,0,1]=4 1720 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 Amb22387642 [1,0,0,1,0,0|0,0,2]=4 1721 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 Amb27786373 [1,0,0,1,0,0|1,0,1]=4 1722 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 Amb22387641 [1,0,0,1,0,0|0,0,2]=4 1723 B10R1.13 O=C1CCC(B(O)O)CC1 Amb25913793 [1,0,0,1,0,0|1,0,1]=4 1724 B10R1.13 O=C1CCC(C(=O)Cl)CC1 Amb10071440 [1,0,0,1,0,0|1,0,0]=3 1725 B10R1.13 O=C1CCC(C(=O)O)CC1 Amb5719059 [1,0,0,1,0,0|0,0,0]=2 1726 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb8503400 [1,0,0,1,0,0|1,0,0]=3 1727 B10R1.13 O=C1CCC(C(=O)O)CN1 Amb9721708 [1,0,0,1,0,0|1,0,0]=3 1728 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb21960863 [1,0,0,1,0,0|1,0,0]=3 1729 B10R1.13 O=C1CCC(C(=O)O)NC1 Amb5719827 [1,0,0,1,0,0|1,0,0]=3 1730 B10R1.13 O=C1CCC(C(=O)O)NN1 Amb23441127 [1,0,0,1,0,0|2,0,0]=4 1731 B10R1.13 O=C1CCC(C(=O)O)SC1 Amb23596925 [1,0,0,1,0,0|1,0,0]=3 1732 B10R1.13 O=C1CCC(S(=O)Cl)CC1 Amb32720480 [1,0,0,1,0,0|2,0,0]=4 1733 B10R1.13 O=C1CCC(S(=O)[O-])CC1 Amb32755806 [1,0,0,1,0,0|1,0,1]=4 1734 B10R1.13 O=C1CCN(C(=O)Cl)CC1 Amb27839162 [1,0,0,1,0,0|2,0,0]=4 1735 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Amb26878933 [1,0,0,1,0,0|1,0,0]=3 1736 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb24655763 [1,0,0,1,0,0|1,0,0]=3 1737 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Amb31291189 [1,0,0,1,0,0|1,0,0]=3 1738 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Amb26515676 [1,0,0,1,0,0|1,0,0]=3 1739 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb27648107 [1,0,0,1,0,0|1,0,0]=3 1740 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Amb31291190 [1,0,0,1,0,0|1,0,0]=3 1741 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22235954 [1,0,0,1,0,0|2,0,0]=4 1742 B10R1.13 O=C1CNC(C(=O)O)CN1 Amb22641428 [1,0,0,1,0,0|2,0,0]=4 1743 B10R1.13 O=C1CN[C@@H](C(=O)O)CN1 Amb24423079 [1,0,0,1,0,0|2,0,0]=4 1744 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 Amb22756547 [1,0,0,1,0,0|2,0,0]=4 1745 B10R1.13 O=C1COC(C(=O)O)CN1 Amb27872662 [1,0,0,1,0,0|2,0,0]=4 1746 B10R1.13 O=C1NCC(C(=O)O)CN1 Amb27469166 [1,0,0,1,0,0|2,0,0]=4 1747 B10R1.14 C#CC(=O)[C@@H]1CCC(=O)O1 Amb28324390 [1,0,0,1,0,0|0,0,2]=4 1748 B10R1.14 C=C(CCl)C1CCC(=O)O1 Amb27462812 [1,0,0,1,0,0|2,0,0]=4 1749 B10R1.14 C=CC(=O)C1CCC(=O)O1 Amb27771531 [1,0,0,1,0,0|0,0,2]=4 1750 B10R1.14 CCC(=O)N1CCC(=O)N1 Amb32721865 [1,0,0,1,0,0|2,0,0]=4 1751 B10R1.14 CCC(Br)C1CCC(=O)O1 Amb28204059 [1,0,0,1,0,0|1,0,1]=4 1752 B10R1.14 CC[C@@H](O)[C@H]1CCC(=O)O1 Amb26055028 [1,0,0,1,0,0|0,0,2]=4 1753 B10R1.14 CC[C@H](O)[C@@H]1CCC(=O)O1 Amb28053543 [1,0,0,1,0,0|0,0,2]=4 1754 B10R1.14 CNC(=O)C1CCC(=O)O1 Amb27794838 [1,0,0,1,0,0|1,0,0]=3 1755 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 Amb24442752 [1,0,0,1,0,0|1,0,0]=3 1756 B10R1.14 CNC(=O)[C@H]1CCC(=O)N1 Amb28248463 [1,0,0,1,0,0|2,0,0]=4 1757 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 Amb27204655 [1,0,0,1,0,0|1,0,0]=3 1758 B10R1.14 COC(=O)C1CCC(=O)C1 Amb10067354 [1,0,0,1,0,0|2,0,0]=4 1759 B10R1.14 COC(=O)C1CCC(=O)N1 Amb2698115 [1,0,0,1,0,0|2,0,0]=4 1760 B10R1.14 COC(=O)C1CCC(=O)O1 Amb22230883 [1,0,0,1,0,0|1,0,0]=3 1761 B10R1.14 COC(=O)C1CNC(=O)O1 Amb33530541 [1,0,0,1,0,0|2,0,0]=4 1762 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 Amb27459673 [1,0,0,1,0,0|2,0,0]=4 1763 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 Amb2695231 [1,0,0,1,0,0|2,0,0]=4 1764 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 Amb22226740 [1,0,0,1,0,0|1,0,0]=3 1765 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 Amb25888968 [1,0,0,1,0,0|2,0,0]=4 1766 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 Amb23440273 [1,0,0,1,0,0|2,0,0]=4 1767 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 Amb8628992 [1,0,0,1,0,0|2,0,0]=4 1768 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 Amb22225396 [1,0,0,1,0,0|1,0,0]=3 1769 B10R1.31 CCC1=NC(C(=O)O)CC1 Amb23560251 [1,0,0,1,0,0|1,0,0]=3 1770 B10R1.31 CCC1=NC(C(=O)O)CS1 Amb24529169 [1,0,0,1,0,0|2,0,0]=4 1771 B10R1.31 CCC1=NCC(C(=O)O)S1 Amb27638215 [1,0,0,1,0,0|1,1,0]=4 1772 B10R1.31 CCC1=N[C@@H](C(=O)O)CS1 Amb32676212 [1,0,0,1,0,0|2,0,0]=4 1773 B10R1.31 CCC1=N[C@H](C(=O)O)CS1 Amb35648202 [1,0,0,1,0,0|2,0,0]=4 1774 B10R1.31 CCC1CCC(C(=O)O)N1 Amb24694112 [1,0,0,1,0,0|1,0,1]=4 1775 B10R1.31 CCC1CCC(C(=O)O)N1 Amb28555622 [1,0,0,1,0,0|1,0,1]=4 1776 B10R1.31 CCC1CCC(C(=O)O)O1 Amb20668759 [1,0,0,1,0,0|0,0,2]=4 1777 B10R1.31 CCN1CCC(C(=O)O)C1 Amb10607746 [1,0,0,1,0,0|2,0,0]=4 1778 B10R1.31 CCN1CC[C@H](C(=O)O)C1 Amb27406792 [1,0,0,1,0,0|2,0,0]=4 1779 B10R1.31 CC[C@@H]1CC[C@@H](C(=O)O)O1 Amb35750180 [1,0,0,1,0,0|0,0,2]=4 1780 B10R1.31 CC[C@H]1CC[C@@H](C(=O)O)N1 Amb28053433 [1,0,0,1,0,0|1,0,1]=4 1781 B10R1.31 COC1=NC(C(=O)O)CC1 Amb27246925 [1,0,0,1,0,0|2,0,0]=4 1782 B10R1.31 CSC1=NC(C(=O)O)CC1 Amb28146794 [1,0,0,1,0,0|2,0,0]=4 1783 B10R1.54 C=C1CCN(CC(=O)O)C1 Amb30028134 [1,0,0,1,0,0|2,0,0]=4 1784 B10R1.54 CC(=O)CC1CCC(=O)C1 Amb28122070 [1,0,0,1,0,0|1,0,0]=3 1785 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [1,0,0,1,0,0|2,0,0]=4 1786 B10R1.54 CC(=O)NC1CCC(=O)C1 Amb27425009 [1,0,0,1,0,0|2,0,0]=4 1787 B10R1.54 CC(=O)S[C@H]1CCC(=O)C1 Amb27750249 [1,0,0,1,0,0|2,0,0]=4 1788 B10R1.54 CC1CCC(CC(=O)O)C1 Amb18643912 [1,0,0,1,0,0|1,0,1]=4 1789 B10R1.54 CN1CCC(CC(=O)O)C1 Amb33550954 [1,0,0,1,0,0|2,0,0]=4 1790 B10R1.54 CN1CCC(CC(=O)O)C1 Amb8009899 [1,0,0,1,0,0|2,0,0]=4 1791 B10R1.54 C[C@@H]1CCC(CC(=O)O)C1 Amb27436927 [1,0,0,1,0,0|1,0,1]=4 1792 B10R1.54 N[C@@H]1CC[C@@H](CC(=O)O)C1 Amb10066890 [1,0,0,1,0,0|1,0,1]=4 1793 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb10066892 [1,0,0,1,0,0|1,0,1]=4 1794 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb35745836 [1,0,0,1,0,0|1,0,1]=4 1795 B10R1.54 N[C@H]1CC[C@@H](CC(=O)O)C1 Amb10066912 [1,0,0,1,0,0|1,0,1]=4 1796 B10R1.54 O=C(Cl)CC1CCC(=O)C1 Amb27614921 [1,0,0,1,0,0|1,0,0]=3 1797 B10R1.54 O=C(O)CC1=CC(=O)CC1 Amb27813115 [1,0,0,1,0,0|0,0,2]=4 1798 B10R1.54 O=C(O)CC1CC(=O)CN1 Amb27860610 [1,0,0,1,0,0|1,0,0]=3 1799 B10R1.54 O=C(O)CC1CCC(=O)C1 Amb18643816 [1,0,0,1,0,0|0,0,0]=2 1800 B10R1.54 O=C(O)CC1CCC(=O)N1 Amb2372619 [1,0,0,1,0,0|1,0,0]=3 1801 B10R1.54 O=C(O)CC1CCC(=O)O1 Amb6316138 [1,0,0,1,0,0|1,0,0]=3 1802 B10R1.54 O=C(O)CC1CCC(F)C1 Amb24679226 [1,0,0,1,0,0|1,0,1]=4 1803 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [1,0,0,1,0,0|0,0,2]=4 1804 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [1,0,0,1,0,0|1,0,0]=3 1805 B10R1.54 O=C(O)CC1COC(=O)C1 Amb20669416 [1,0,0,1,0,0|1,0,0]=3 1806 B10R1.54 O=C(O)CC1COC(=O)N1 Amb27838109 [1,0,0,1,0,0|2,0,0]=4 1807 B10R1.54 O=C(O)C[C@@H]1CCC(=O)C1 Amb24480441 [1,0,0,1,0,0|0,0,0]=2 1808 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Amb22587587 [1,0,0,1,0,0|1,0,0]=3 1809 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [1,0,0,1,0,0|0,0,2]=4 1810 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [1,0,0,1,0,0|0,0,2]=4 1811 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [1,0,0,1,0,0|1,0,0]=3 1812 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 Amb22898751 [1,0,0,1,0,0|0,0,0]=2 1813 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 Amb22587585 [1,0,0,1,0,0|1,0,0]=3 1814 B10R1.54 O=C(O)C[C@H]1CCC(=O)O1 Amb26025159 [1,0,0,1,0,0|1,0,0]=3 1815 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [1,0,0,1,0,0|0,0,2]=4 1816 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [1,0,0,1,0,0|0,0,2]=4 1817 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [1,0,0,1,0,0|1,0,0]=3 1818 B10R1.54 O=C(O)C[C@H]1COC(=O)N1 Amb25744486 [1,0,0,1,0,0|2,0,0]=4 1819 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 Amb21964316 [1,0,0,1,0,0|1,0,1]=4 1820 B10R1.73 CC1CC1CCCC(=O)O Amb25921322 [1,0,0,1,0,0|1,0,1]=4 1821 B10R1.73 C[C@@H]1C[C@@H]1CCCC(=O)O Amb27494069 [1,0,0,1,0,0|1,0,1]=4 1822 B10R1.79 O=C1CCCC(=O)CCC1 Amb2780678 [1,0,0,1,0,0|1,0,0]=3 1823 B10R1.79 O=C1CCCC(O)CCC1 Amb2609402 [1,0,0,1,0,0|1,0,1]=4 1824 B10R1.79 O=C1CCNC(=O)CCN1 Amb23403556 [1,0,0,1,0,0|2,0,0]=4 1825 B10R1.80 CC1CC(CC(=O)O)C1C Amb28049798 [1,0,0,1,0,0|1,0,1]=4 1826 B10R1.117 O=C(O)CCN1CCC1=O Amb27782123 [1,0,0,1,0,0|1,0,0]=3 1827 B10R1.127 O=C(O)CCCC1CCC1 Amb26345789 [1,0,0,1,0,0|1,0,1]=4 1828 B10R1.150 CCC(=O)CC1CC(=O)N1 Amb32676998 [1,0,0,1,0,0|1,0,0]=3 1829 B10R1.150 COC(=O)CC1CC(=O)C1 Amb22001609 [1,0,0,1,0,0|2,0,0]=4 1830 B10R1.150 COC(=O)CC1CC(=O)N1 Amb24117255 [1,0,0,1,0,0|2,0,0]=4 1831 B10R1.168 CCC1CC(CC(=O)O)C1 Amb24585666 [1,0,0,1,0,0|1,0,1]=4 1832 B10R1.194 C=C(C)[C@H]1CCC(=O)[C@@H]1C Amb27431718 [1,0,0,1,0,0|2,0,0]=4 1833 B10R1.194 C=C(C)[C@H]1CCC(=O)[C@H]1C Amb28422755 [1,0,0,1,0,0|2,0,0]=4 1834 B10R1.194 C=C1C(=O)CC[C@@H]1C(=O)O Amb28050151 [1,0,0,1,0,0|0,0,2]=4 1835 B10R1.194 C=C1CCC(C(=O)O)C1C Amb27442987 [1,0,0,1,0,0|1,0,0]=3 1836 B10R1.194 C=C1CCC(C(=O)O)C1N Amb25690409 [1,0,0,1,0,0|2,0,0]=4 1837 B10R1.194 C=C1CC[C@@H](C(=O)O)[C@H]1N Amb26884928 [1,0,0,1,0,0|2,0,0]=4 1838 B10R1.194 C=C1CC[C@H](C(=O)O)[C@@H]1C Amb27961118 [1,0,0,1,0,0|1,0,0]=3 1839 B10R1.194 C=C1CC[C@H](C(=O)O)[C@@H]1N Amb28345701 [1,0,0,1,0,0|2,0,0]=4 1840 B10R1.194 CC(=O)C1CCC(=O)N1C Amb27256371 [1,0,0,1,0,0|2,0,0]=4 1841 B10R1.194 CC(=O)C1COC(=O)C1C Amb27863667 [1,0,0,1,0,0|2,0,0]=4 1842 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [1,0,0,1,0,0|2,0,0]=4 1843 B10R1.194 CC1C(=O)C=CC1C(=O)O Amb27408528 [1,0,0,1,0,0|0,0,2]=4 1844 B10R1.194 CC1C(=O)CCC1S(C)=O Amb27823567 [1,0,0,1,0,0|2,0,0]=4 1845 B10R1.194 CC1C(=O)NCC1C(=O)O Amb27660444 [1,0,0,1,0,0|1,0,0]=3 1846 B10R1.194 CC1C(=O)NCC1C(N)=O Amb27804069 [1,0,0,1,0,0|2,0,0]=4 1847 B10R1.194 CC1C(=O)OCC1C(=O)O Amb4022599 [1,0,0,1,0,0|1,0,0]=3 1848 B10R1.194 CC1C(C(=O)O)CCN1C Amb28050081 [1,0,0,1,0,0|2,0,0]=4 1849 B10R1.194 CC1C(C(=O)O)CCN1C Amb28555552 [1,0,0,1,0,0|2,0,0]=4 1850 B10R1.194 CC1CC[C@H](C(=O)O)C1C Amb28347215 [1,0,0,1,0,0|1,0,1]=4 1851 B10R1.194 CN1C(=O)CCC1C(=O)O Amb18279438 [1,0,0,1,0,0|1,0,0]=3 1852 B10R1.194 CN1C(=O)CCC1C(N)=O Amb26396272 [1,0,0,1,0,0|2,0,0]=4 1853 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O Amb24480932 [1,0,0,1,0,0|1,0,0]=3 1854 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O Amb22756511 [1,0,0,1,0,0|1,0,0]=3 1855 B10R1.194 CN1C(=O)NCC1C(=O)O Amb27184588 [1,0,0,1,0,0|2,0,0]=4 1856 B10R1.194 CN1C(=O)NC[C@@H]1C(=O)O Amb27946880 [1,0,0,1,0,0|2,0,0]=4 1857 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Amb28042993 [1,0,0,1,0,0|2,0,0]=4 1858 B10R1.194 CN1C(=O)OCC1C(=O)O Amb25800781 [1,0,0,1,0,0|2,0,0]=4 1859 B10R1.194 CN1C(=O)OC[C@@H]1C(=O)O Amb32673921 [1,0,0,1,0,0|2,0,0]=4 1860 B10R1.194 C[C@@H]1C(=O)OC[C@H]1C(=O)O Amb28429847 [1,0,0,1,0,0|1,0,0]=3 1861 B10R1.194 C[C@@H]1CC[C@H](C(=O)O)[C@@H]1C Amb27217301 [1,0,0,1,0,0|1,0,1]=4 1862 B10R1.194 C[C@@H]1[C@@H](C(=O)O)CCN1C Amb18202481 [1,0,0,1,0,0|2,0,0]=4 1863 B10R1.194 C[C@@H]1[C@H](C(=O)O)CCN1C Amb28721110 [1,0,0,1,0,0|2,0,0]=4 1864 B10R1.194 C[C@H]1C(=O)CC[C@H]1C(=O)O Amb27778459 [1,0,0,1,0,0|0,0,0]=2 1865 B10R1.194 C[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18831599 [1,0,0,1,0,0|1,0,0]=3 1866 B10R1.194 C[C@H]1C(=O)NC[C@@H]1C(=O)O Amb27858486 [1,0,0,1,0,0|1,0,0]=3 1867 B10R1.194 C[C@H]1CC[C@H](C(=O)O)[C@@H]1C Amb28067785 [1,0,0,1,0,0|1,0,1]=4 1868 B10R1.194 NC1C(=O)NCC1C(=O)O Amb25683449 [1,0,0,1,0,0|2,0,0]=4 1869 B10R1.194 NC1C(=O)NCC1C(=O)O Amb32721524 [1,0,0,1,0,0|2,0,0]=4 1870 B10R1.194 NN1C(=O)CCC1C(=O)O Amb27839055 [1,0,0,1,0,0|2,0,0]=4 1871 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb25230623 [1,0,0,1,0,0|2,0,0]=4 1872 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb32992773 [1,0,0,1,0,0|2,0,0]=4 1873 B10R1.194 O=C(O)C1CCC(=O)N1O Amb27807058 [1,0,0,1,0,0|2,0,0]=4 1874 B10R1.194 O=C(O)[C@@H]1CCC(=O)N1O Amb26357551 [1,0,0,1,0,0|2,0,0]=4 1875 B10R1.194 O=C1OCC(C(=O)O)C1O Amb26405203 [1,0,0,1,0,0|2,0,0]=4 1876 B10R1.277 CC1NC(=O)CCNC1=O Amb27184656 [1,0,0,1,0,0|2,0,0]=4 1877 B10R1.302 O=C1CCCS(=O)(=O)CC1 Amb4460974 [1,0,0,1,0,0|1,0,1]=4 1878 B10R1.350 CC1(CCCC(=O)O)CC1 Amb16232020 [1,0,0,1,0,0|1,0,1]=4 1879 B10R1.350 NC1(CCCC(=O)O)CC1 Amb18831585 [1,0,0,1,0,0|1,0,1]=4 1880 B10R1.350 O=C(O)CCCC1(F)CC1 Amb27655612 [1,0,0,1,0,0|1,0,1]=4 1881 B10R1.408 CCC(C)C1CC1C(=O)O Amb25887507 [1,0,0,1,0,0|1,0,1]=4 1882 B10R1.408 CCC(C)[C@@H]1C[C@H]1C(=O)O Amb33373888 [1,0,0,1,0,0|1,0,1]=4 1883 B10R1.408 CNC(=O)C1CC1C(=O)O Amb17606124 [1,0,0,1,0,0|1,0,0]=3 1884 B10R1.408 CNC(=O)[C@@H]1C[C@H]1C(=O)O Amb24055632 [1,0,0,1,0,0|1,0,0]=3 1885 B10R1.408 COC(=O)C1CC1C(=O)Cl Amb25104983 [1,0,0,1,0,0|2,0,0]=4 1886 B10R1.408 COC(=O)C1CC1C(=O)O Amb19314991 [1,0,0,1,0,0|1,0,0]=3 1887 B10R1.408 COC(=O)C1CC1C(=O)[O-] Amb34916021 [1,0,0,1,0,0|1,0,1]=4 1888 B10R1.408 COC(=O)C1CC1C(C)=O Amb26641869 [1,0,0,1,0,0|2,0,0]=4 1889 B10R1.408 COC(=O)C1CC1C(N)=O Amb26964635 [1,0,0,1,0,0|2,0,0]=4 1890 B10R1.408 COC(=O)C1OC1C(=O)O Amb25072766 [1,0,0,1,0,0|2,0,0]=4 1891 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25306534 [1,0,0,1,0,0|2,0,0]=4 1892 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O Amb25949202 [1,0,0,1,0,0|1,0,0]=3 1893 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(C)=O Amb28052590 [1,0,0,1,0,0|2,0,0]=4 1894 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O Amb24183508 [1,0,0,1,0,0|1,0,0]=3 1895 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(C)=O Amb25179679 [1,0,0,1,0,0|2,0,0]=4 1896 B10R1.408 COC(=O)[C@@H]1O[C@H]1C(=O)O Amb25174796 [1,0,0,1,0,0|2,0,0]=4 1897 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O Amb27254210 [1,0,0,1,0,0|1,0,0]=3 1898 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O Amb26397116 [1,0,0,1,0,0|1,0,0]=3 1899 B10R1.408 COC(=O)[C@H]1C[C@H]1C(C)=O Amb25377828 [1,0,0,1,0,0|2,0,0]=4 1900 B10R1.408 COC(=O)[C@H]1O[C@@H]1C(=O)O Amb24745530 [1,0,0,1,0,0|2,0,0]=4 1901 B10R1.408 COC(=O)[C@H]1O[C@H]1C(=O)O Amb24601831 [1,0,0,1,0,0|2,0,0]=4 1902 B10R1.408 O=C(O)C1CC1C(=O)CBr Amb27626250 [1,0,0,1,0,0|1,0,0]=3 1903 B10R1.10 CCCC1=CC(=O)CCC1 Amb25704046 [1,0,0,1,0,0|1,0,0]=3 1904 B10R1.10 CCCC1CCCC(=O)C1 Amb22754799 [1,0,0,1,0,0|1,0,1]=4 1905 B10R1.10 CCCN1CCCC(=O)C1 Amb16187099 [1,0,0,1,0,0|2,0,0]=4 1906 B10R1.10 CCC[C@H]1CCCC(=O)C1 Amb27436290 [1,0,0,1,0,0|1,0,1]=4 1907 B10R1.10 CCC[C@H]1CCCC(=O)N1 Amb27770582 [1,0,0,1,0,0|1,0,1]=4 1908 B10R1.10 CCNC1=CC(=O)CCC1 Amb17920794 [1,0,0,1,0,0|2,0,0]=4 1909 B10R1.10 CCOC1=CC(=O)CCC1 Amb17750127 [1,0,0,1,0,0|2,0,0]=4 1910 B10R1.10 CCSC1=CC(=O)CCC1 Amb28202268 [1,0,0,1,0,0|2,0,0]=4 1911 B10R1.10 CSCC1=CC(=O)CCC1 Amb27494393 [1,0,0,1,0,0|2,0,0]=4 1912 B10R1.10 O=C1CCCC(CCBr)O1 Amb28120676 [1,0,0,1,0,0|1,0,1]=4 1913 B10R1.10 O=C1CCCC(CCCl)O1 Amb27234609 [1,0,0,1,0,0|1,0,1]=4 1914 B10R1.10 O=C1CCC[C@@H](CCO)O1 Amb28205971 [1,0,0,1,0,0|1,0,1]=4 1915 B10R1.16 CCCCC1CCC(=O)O1 Amb8513275 [1,0,0,1,0,0|0,0,1]=3 1916 B10R1.16 CCCCC1CNC(=O)O1 Amb27830443 [1,0,0,1,0,0|1,0,1]=4 1917 B10R1.16 CCCC[C@@H]1CCC(=O)N1 Amb28134882 [1,0,0,1,0,0|1,0,1]=4 1918 B10R1.16 CCCOC1CCC(=O)C1 Amb28183094 [1,0,0,1,0,0|2,0,0]=4 1919 B10R1.16 CCCOC1CCC(=O)N1 Amb28067614 [1,0,0,1,0,0|2,0,0]=4 1920 B10R1.16 CC\C=C\C1CNC(=O)O1 Amb33429723 [1,0,0,1,0,0|1,0,1]=4 1921 B10R1.16 NCCCC1CCC(=O)O1 Amb27776907 [1,0,0,1,0,0|1,0,1]=4 1922 B10R1.16 O=C1CCC(CCCO)O1 Amb27968758 [1,0,0,1,0,0|1,0,1]=4 1923 B10R1.16 O=C1CC[C@H](CCCO)O1 Amb27205711 [1,0,0,1,0,0|1,0,1]=4 1924 B10R1.18 CC(=O)CC1C=CCCC1 Amb28074786 [1,0,0,1,0,0|1,0,1]=4 1925 B10R1.18 CC(=O)CC1CC=CCC1 Amb25348584 [1,0,0,1,0,0|1,0,1]=4 1926 B10R1.18 CC(=O)CC1CCCC=N1 Amb27590366 [1,0,0,1,0,0|2,0,0]=4 1927 B10R1.18 CC(=O)CC1CCCCC1 Amb4034580 [1,0,0,1,0,0|1,0,1]=4 1928 B10R1.18 CC(=O)CC1CCCNC1 Amb26047010 [1,0,0,1,0,0|2,0,0]=4 1929 B10R1.18 CC(=O)CC1CCCOC1 Amb26842438 [1,0,0,1,0,0|2,0,0]=4 1930 B10R1.18 CC(=O)CC1CCCSC1 Amb32726331 [1,0,0,1,0,0|2,0,0]=4 1931 B10R1.18 NC(=O)CC1CCCCC1 Amb33551594 [1,0,0,1,0,0|1,0,1]=4 1932 B10R1.18 NC(=O)CC1CCCNC1 Amb18962911 [1,0,0,1,0,0|2,0,0]=4 1933 B10R1.18 NC(=O)CC1CCCNC1 Amb20623575 [1,0,0,1,0,0|2,0,0]=4 1934 B10R1.18 NC(=O)C[C@@H]1CC=CCC1 Amb27166632 [1,0,0,1,0,0|1,0,1]=4 1935 B10R1.18 O=C(Cl)CC1CCCCC1 Amb33528414 [1,0,0,1,0,0|1,0,1]=4 1936 B10R1.18 O=C(O)CC1C=CCCC1 Amb18124573 [1,0,0,1,0,0|0,0,1]=3 1937 B10R1.18 O=C(O)CC1C=COCC1 Amb22015171 [1,0,0,1,0,0|1,0,1]=4 1938 B10R1.18 O=C(O)CC1CC=CCC1 Amb18643595 [1,0,0,1,0,0|0,0,1]=3 1939 B10R1.18 O=C(O)CC1CCCCC1 Amb3939015 [1,0,0,1,0,0|0,0,1]=3 1940 B10R1.18 O=C(O)CC1CCCCN1 Amb10576328 [1,0,0,1,0,0|1,0,1]=4 1941 B10R1.18 O=C(O)CC1CCCCN1 Amb1083025 [1,0,0,1,0,0|1,0,1]=4 1942 B10R1.18 O=C(O)CC1CCCCN1 Amb22587703 [1,0,0,1,0,0|1,0,1]=4 1943 B10R1.18 O=C(O)CC1CCCCO1 Amb1091980 [1,0,0,1,0,0|1,0,1]=4 1944 B10R1.18 O=C(O)CC1CCCNC1 Amb13952813 [1,0,0,1,0,0|1,0,0]=3 1945 B10R1.18 O=C(O)CC1CCCNC1 Amb2684000 [1,0,0,1,0,0|1,0,0]=3 1946 B10R1.18 O=C(O)CC1CCCOC1 Amb33544408 [1,0,0,1,0,0|1,0,0]=3 1947 B10R1.18 O=C(O)CC1CCCSC1 Amb18199274 [1,0,0,1,0,0|1,0,0]=3 1948 B10R1.18 O=C(O)CC1CCC[NH2+]C1 Amb2695000 [1,0,0,1,0,0|1,0,0]=3 1949 B10R1.18 O=C(O)CC1CCNCC1 Amb2683992 [1,0,0,1,0,0|1,0,1]=4 1950 B10R1.18 O=C(O)CC1CCNCC1 Amb33544417 [1,0,0,1,0,0|1,0,1]=4 1951 B10R1.18 O=C(O)CC1CCOCC1 Amb2684134 [1,0,0,1,0,0|1,0,1]=4 1952 B10R1.18 O=C(O)CC1CCSCC1 Amb18283322 [1,0,0,1,0,0|1,0,1]=4 1953 B10R1.18 O=C(O)CC1CNCCN1 Amb8630816 [1,0,0,1,0,0|2,0,0]=4 1954 B10R1.18 O=C(O)CC1CNCCO1 Amb21959647 [1,0,0,1,0,0|2,0,0]=4 1955 B10R1.18 O=C(O)CC1CNCCO1 Amb2695419 [1,0,0,1,0,0|2,0,0]=4 1956 B10R1.18 O=C(O)CC1CNCCS1 Amb27447972 [1,0,0,1,0,0|2,0,0]=4 1957 B10R1.18 O=C(O)CC1COCCN1 Amb21964558 [1,0,0,1,0,0|2,0,0]=4 1958 B10R1.18 O=C(O)CC1COCCN1 Amb2699908 [1,0,0,1,0,0|2,0,0]=4 1959 B10R1.18 O=C(O)CC1COCCO1 Amb17507064 [1,0,0,1,0,0|2,0,0]=4 1960 B10R1.18 O=C(O)CC1CSCCN1 Amb18199026 [1,0,0,1,0,0|2,0,0]=4 1961 B10R1.18 O=C(O)CC1CSCCO1 Amb27444857 [1,0,0,1,0,0|2,0,0]=4 1962 B10R1.18 O=C(O)CC1CSCCS1 Amb28068478 [1,0,0,1,0,0|2,0,0]=4 1963 B10R1.18 O=C(O)CN1CCCCC1 Amb1098973 [1,0,0,1,0,0|1,0,1]=4 1964 B10R1.18 O=C(O)CN1CCCCC1 Amb8503500 [1,0,0,1,0,0|1,0,1]=4 1965 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 Amb25921210 [1,0,0,1,0,0|0,0,1]=3 1966 B10R1.18 O=C(O)C[C@@H]1CCCCN1 Amb13885774 [1,0,0,1,0,0|1,0,1]=4 1967 B10R1.18 O=C(O)C[C@@H]1CCCCN1 Amb33296463 [1,0,0,1,0,0|1,0,1]=4 1968 B10R1.18 O=C(O)C[C@@H]1CCCNC1 Amb25889983 [1,0,0,1,0,0|1,0,0]=3 1969 B10R1.18 O=C(O)C[C@@H]1CCCNC1 Amb32407008 [1,0,0,1,0,0|1,0,0]=3 1970 B10R1.18 O=C(O)C[C@@H]1CNCCO1 Amb22747184 [1,0,0,1,0,0|2,0,0]=4 1971 B10R1.18 O=C(O)C[C@@H]1COCCN1 Amb34913922 [1,0,0,1,0,0|2,0,0]=4 1972 B10R1.18 O=C(O)C[C@H]1CCCCN1 Amb13885779 [1,0,0,1,0,0|1,0,1]=4 1973 B10R1.18 O=C(O)C[C@H]1CCCCN1 Amb33456128 [1,0,0,1,0,0|1,0,1]=4 1974 B10R1.18 O=C(O)C[C@H]1CCCNC1 Amb23401360 [1,0,0,1,0,0|1,0,0]=3 1975 B10R1.18 O=C(O)C[C@H]1CCCNC1 Amb28077035 [1,0,0,1,0,0|1,0,0]=3 1976 B10R1.18 O=C(O)C[C@H]1CNCCO1 Amb27751203 [1,0,0,1,0,0|2,0,0]=4 1977 B10R1.18 O=C(O)C[C@H]1CNCCO1 Amb33801282 [1,0,0,1,0,0|2,0,0]=4 1978 B10R1.18 O=C(O)C[C@H]1COCCN1 Amb25992590 [1,0,0,1,0,0|2,0,0]=4 1979 B10R1.18 O=C(O)C[C@H]1COCCN1 Amb34913503 [1,0,0,1,0,0|2,0,0]=4 1980 B10R1.18 O=C(O)C[NH+]1CCCCC1 Amb4255653 [1,0,0,1,0,0|1,0,1]=4 1981 B10R1.18 O=C(O)NC1CCCCC1 Amb22039352 [1,0,0,1,0,0|1,0,1]=4 1982 B10R1.18 O=S(O)CC1CCCCC1 Amb27452532 [1,0,0,1,0,0|1,0,1]=4 1983 B10R1.24 O=C1CC(CCCCO)O1 Amb28079077 [1,0,0,1,0,0|1,0,1]=4 1984 B10R1.24 O=C1CC(CSCCO)O1 Amb28050783 [1,0,0,1,0,0|2,0,0]=4 1985 B10R1.39 CCC1CCCC1C(=O)O Amb18643940 [1,0,0,1,0,0|0,0,1]=3 1986 B10R1.39 CCC1CCNC1C(=O)O Amb18644001 [1,0,0,1,0,0|1,0,1]=4 1987 B10R1.39 CCC1CCNC1C(=O)O Amb32932458 [1,0,0,1,0,0|1,0,1]=4 1988 B10R1.39 CCC1CCN[C@@H]1C(=O)O Amb27259157 [1,0,0,1,0,0|1,0,1]=4 1989 B10R1.39 CCC1CCOC1C(=O)O Amb32666976 [1,0,0,1,0,0|1,0,1]=4 1990 B10R1.39 CCC1CNCC1C(=O)O Amb18831583 [1,0,0,1,0,0|1,0,1]=4 1991 B10R1.39 CCC1NCCC1C(=O)O Amb18118150 [1,0,0,1,0,0|1,0,0]=3 1992 B10R1.39 CCC1NCCC1C(=O)O Amb28896015 [1,0,0,1,0,0|1,0,0]=3 1993 B10R1.39 CCC1NCCC1C(C)=O Amb33131417 [1,0,0,1,0,0|2,0,0]=4 1994 B10R1.39 CCC1NCCC1C(N)=O Amb28057799 [1,0,0,1,0,0|2,0,0]=4 1995 B10R1.39 CCC1OCCC1C(=O)O Amb27238092 [1,0,0,1,0,0|1,0,0]=3 1996 B10R1.39 CCC1OCCC1C(C)=O Amb27170224 [1,0,0,1,0,0|2,0,0]=4 1997 B10R1.39 CCN1CCCC1C(=O)O Amb9173743 [1,0,0,1,0,0|1,0,1]=4 1998 B10R1.39 CCN1CCC[C@@H]1C(=O)O Amb22587552 [1,0,0,1,0,0|1,0,1]=4 1999 B10R1.39 CCN1CCC[C@@H]1C(=O)O Amb23385271 [1,0,0,1,0,0|1,0,1]=4 2000 B10R1.39 CCN1CCC[C@H]1C(=O)O Amb19516987 [1,0,0,1,0,0|1,0,1]=4 2001 B10R1.39 CC[C@@H]1CCN[C@@H]1C(=O)O Amb27846259 [1,0,0,1,0,0|1,0,1]=4 2002 B10R1.39 CC[C@@H]1CCN[C@H]1C(=O)O Amb28428507 [1,0,0,1,0,0|1,0,1]=4 2003 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Amb32667304 [1,0,0,1,0,0|1,0,1]=4 2004 B10R1.39 CC[C@@H]1CNC[C@@H]1C(=O)O Amb28057536 [1,0,0,1,0,0|1,0,1]=4 2005 B10R1.39 CC[C@@H]1NCC[C@H]1C(=O)O Amb18202480 [1,0,0,1,0,0|1,0,0]=3 2006 B10R1.39 CC[C@@H]1OCC[C@H]1C(=O)O Amb32685282 [1,0,0,1,0,0|1,0,0]=3 2007 B10R1.39 CC[C@H]1CCC[C@@H]1C(N)=O Amb27786258 [1,0,0,1,0,0|1,0,1]=4 2008 B10R1.39 CC[C@H]1CCN[C@@H]1C(=O)O Amb28411335 [1,0,0,1,0,0|1,0,1]=4 2009 B10R1.39 CNC1CCCC1C(=O)O Amb26637848 [1,0,0,1,0,0|1,0,1]=4 2010 B10R1.39 COC1CCCC1C(=O)O Amb18967397 [1,0,0,1,0,0|1,0,1]=4 2011 B10R1.39 CO[C@@H]1CCC[C@@H]1C(=O)O Amb28203935 [1,0,0,1,0,0|1,0,1]=4 2012 B10R1.39 CO[C@H]1CCCC1C(=O)O Amb27947835 [1,0,0,1,0,0|1,0,1]=4 2013 B10R1.39 CO[C@H]1CCC[C@@H]1C(=O)O Amb25956783 [1,0,0,1,0,0|1,0,1]=4 2014 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O Amb26931198 [1,0,0,1,0,0|1,0,1]=4 2015 B10R1.39 CSC1CCCC1C(=O)O Amb18288540 [1,0,0,1,0,0|1,0,1]=4 2016 B10R1.39 NCC1CCCC1C(=O)O Amb25283657 [1,0,0,1,0,0|1,0,1]=4 2017 B10R1.39 NCC1CCCC1C(=O)O Amb32661245 [1,0,0,1,0,0|1,0,1]=4 2018 B10R1.39 NCC1OCCC1C(=O)O Amb28145201 [1,0,0,1,0,0|2,0,0]=4 2019 B10R1.39 NCC1OCCC1C(=O)O Amb28920815 [1,0,0,1,0,0|2,0,0]=4 2020 B10R1.39 NC[C@@H]1CCC[C@@H]1C(=O)O Amb26903999 [1,0,0,1,0,0|1,0,1]=4 2021 B10R1.39 NC[C@@H]1CCC[C@@H]1C(=O)O Amb33249753 [1,0,0,1,0,0|1,0,1]=4 2022 B10R1.39 NC[C@@H]1OCC[C@@H]1C(=O)O Amb27666152 [1,0,0,1,0,0|2,0,0]=4 2023 B10R1.39 NC[C@@H]1OCC[C@@H]1C(=O)O Amb32663319 [1,0,0,1,0,0|2,0,0]=4 2024 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Amb28293248 [1,0,0,1,0,0|1,0,1]=4 2025 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Amb28641946 [1,0,0,1,0,0|1,0,1]=4 2026 B10R1.39 O=C(O)C1CCCC1CBr Amb18130990 [1,0,0,1,0,0|1,0,1]=4 2027 B10R1.39 O=C(O)C1CCCC1CF Amb20668095 [1,0,0,1,0,0|1,0,1]=4 2028 B10R1.39 O=C(O)C1CCNC1CO Amb28195171 [1,0,0,1,0,0|2,0,0]=4 2029 B10R1.39 O=C(O)C1CCSC1CS Amb28422354 [1,0,0,1,0,0|2,0,0]=4 2030 B10R1.39 O=C(O)[C@@H]1CCC[C@H]1CF Amb32721623 [1,0,0,1,0,0|1,0,1]=4 2031 B10R1.39 O=C(O)[C@@H]1CCN[C@H]1CO Amb18202111 [1,0,0,1,0,0|2,0,0]=4 2032 B10R1.39 O=C(O)[C@H]1CCC[C@@H]1CBr Amb27435607 [1,0,0,1,0,0|1,0,1]=4 2033 B10R1.61 CC(=O)C1CCC=CC1C Amb27409478 [1,0,0,1,0,0|1,0,1]=4 2034 B10R1.61 CC(=O)C1CCCCC1C Amb26021911 [1,0,0,1,0,0|1,0,1]=4 2035 B10R1.61 CC(=O)C1CCNCC1C Amb26849111 [1,0,0,1,0,0|2,0,0]=4 2036 B10R1.61 CC(=O)C1CCOCC1C Amb28041252 [1,0,0,1,0,0|2,0,0]=4 2037 B10R1.61 CC(=O)[C@@H]1CCCC[C@@H]1C Amb28131403 [1,0,0,1,0,0|1,0,1]=4 2038 B10R1.61 CC(=O)[C@@H]1CCCC[C@H]1C Amb25948878 [1,0,0,1,0,0|1,0,1]=4 2039 B10R1.61 CC(=O)[C@H]1CCC=C[C@@H]1C Amb28457319 [1,0,0,1,0,0|1,0,1]=4 2040 B10R1.61 CC(=O)[C@H]1CCCC[C@@H]1C Amb28052336 [1,0,0,1,0,0|1,0,1]=4 2041 B10R1.61 CC1CC=CCC1C(=O)Cl Amb27455077 [1,0,0,1,0,0|1,0,1]=4 2042 B10R1.61 CC1CC=CCC1C(=O)O Amb18124583 [1,0,0,1,0,0|0,0,1]=3 2043 B10R1.61 CC1CCCCC1C(=O)Br Amb27635544 [1,0,0,1,0,0|1,0,1]=4 2044 B10R1.61 CC1CCCCC1C(=O)O Amb1923858 [1,0,0,1,0,0|0,0,1]=3 2045 B10R1.61 CC1CCCCC1C(N)=O Amb4035366 [1,0,0,1,0,0|1,0,1]=4 2046 B10R1.61 CC1CCCCC1S(=O)O Amb35683280 [1,0,0,1,0,0|1,0,1]=4 2047 B10R1.61 CC1CCCNC1C(=O)O Amb18644006 [1,0,0,1,0,0|1,0,1]=4 2048 B10R1.61 CC1CCCNC1C(=O)O Amb33421964 [1,0,0,1,0,0|1,0,1]=4 2049 B10R1.61 CC1CCNCC1C(=O)O Amb18124644 [1,0,0,1,0,0|1,0,1]=4 2050 B10R1.61 CC1CCNCC1C(=O)O Amb33330563 [1,0,0,1,0,0|1,0,1]=4 2051 B10R1.61 CC1CNCCC1C(=O)O Amb2694911 [1,0,0,1,0,0|1,0,0]=3 2052 B10R1.61 CC1CNCCC1C(=O)O Amb28555510 [1,0,0,1,0,0|1,0,0]=3 2053 B10R1.61 CC1COCCC1C(=O)Cl Amb27752623 [1,0,0,1,0,0|2,0,0]=4 2054 B10R1.61 CC1COCCC1C(=O)O Amb27975751 [1,0,0,1,0,0|1,0,0]=3 2055 B10R1.61 CC1COCCC1C(N)=O Amb27837972 [1,0,0,1,0,0|2,0,0]=4 2056 B10R1.61 CC1CSCCC1C(=O)O Amb27214025 [1,0,0,1,0,0|1,0,0]=3 2057 B10R1.61 CC1NCCCC1C(=O)O Amb18124643 [1,0,0,1,0,0|1,0,1]=4 2058 B10R1.61 CC1NCCCC1C(=O)O Amb33548991 [1,0,0,1,0,0|1,0,1]=4 2059 B10R1.61 CC1OCCCC1C(=O)O Amb26904538 [1,0,0,1,0,0|1,0,1]=4 2060 B10R1.61 CN1CCCCC1C(=O)O Amb1102591 [1,0,0,1,0,0|1,0,1]=4 2061 B10R1.61 CN1CCCCC1C(=O)O Amb2694386 [1,0,0,1,0,0|1,0,1]=4 2062 B10R1.61 CN1CCCC[C@@H]1C(=O)O Amb22744921 [1,0,0,1,0,0|1,0,1]=4 2063 B10R1.61 CN1CCCC[C@@H]1C(=O)O Amb30594706 [1,0,0,1,0,0|1,0,1]=4 2064 B10R1.61 CN1CCCC[C@H]1C(=O)O Amb27171753 [1,0,0,1,0,0|1,0,1]=4 2065 B10R1.61 C[C@@H]1C=CCC[C@@H]1C(=O)O Amb10843958 [1,0,0,1,0,0|0,0,1]=3 2066 B10R1.61 C[C@@H]1CC=CC[C@H]1C(=O)Cl Amb27768039 [1,0,0,1,0,0|1,0,1]=4 2067 B10R1.61 C[C@@H]1CC=CC[C@H]1C(=O)O Amb25799158 [1,0,0,1,0,0|0,0,1]=3 2068 B10R1.61 C[C@@H]1CC=CC[C@H]1C(N)=O Amb28454943 [1,0,0,1,0,0|1,0,1]=4 2069 B10R1.61 C[C@@H]1CCCC[C@H]1C(=O)O Amb10843965 [1,0,0,1,0,0|0,0,1]=3 2070 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Amb13886260 [1,0,0,1,0,0|1,0,1]=4 2071 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Amb31177924 [1,0,0,1,0,0|1,0,1]=4 2072 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Amb25911818 [1,0,0,1,0,0|1,0,1]=4 2073 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Amb32967641 [1,0,0,1,0,0|1,0,1]=4 2074 B10R1.61 C[C@@H]1CNCC[C@@H]1C(=O)O Amb33715674 [1,0,0,1,0,0|1,0,0]=3 2075 B10R1.61 C[C@@H]1COCC[C@H]1C(N)=O Amb28130095 [1,0,0,1,0,0|2,0,0]=4 2076 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O Amb27881535 [1,0,0,1,0,0|1,0,1]=4 2077 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O Amb32656204 [1,0,0,1,0,0|1,0,1]=4 2078 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O Amb18202482 [1,0,0,1,0,0|1,0,1]=4 2079 B10R1.61 C[C@@H]1OCCC[C@@H]1C(=O)O Amb27160030 [1,0,0,1,0,0|1,0,1]=4 2080 B10R1.61 C[C@H]1C=CCC[C@@H]1C(=O)O Amb27473415 [1,0,0,1,0,0|0,0,1]=3 2081 B10R1.61 C[C@H]1C=CCC[C@@H]1C(N)=O Amb27433642 [1,0,0,1,0,0|1,0,1]=4 2082 B10R1.61 C[C@H]1C=CCC[C@H]1C(=O)O Amb10843952 [1,0,0,1,0,0|0,0,1]=3 2083 B10R1.61 C[C@H]1CC=CC[C@@H]1C(=O)Cl Amb27632279 [1,0,0,1,0,0|1,0,1]=4 2084 B10R1.61 C[C@H]1CC=CC[C@@H]1C(=O)O Amb27421976 [1,0,0,1,0,0|0,0,1]=3 2085 B10R1.61 C[C@H]1CC=CC[C@@H]1C(N)=O Amb28423348 [1,0,0,1,0,0|1,0,1]=4 2086 B10R1.61 C[C@H]1CCCN[C@@H]1C(=O)O Amb27814735 [1,0,0,1,0,0|1,0,1]=4 2087 B10R1.61 C[C@H]1CCCN[C@H]1C(=O)O Amb2695237 [1,0,0,1,0,0|1,0,1]=4 2088 B10R1.61 C[C@H]1CCCN[C@H]1C(=O)O Amb28593755 [1,0,0,1,0,0|1,0,1]=4 2089 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O Amb26419672 [1,0,0,1,0,0|1,0,1]=4 2090 B10R1.61 NC1C=CCCC1C(=O)O Amb27249558 [1,0,0,1,0,0|1,0,1]=4 2091 B10R1.61 NC1C=CCCC1C(=O)O Amb32658742 [1,0,0,1,0,0|1,0,1]=4 2092 B10R1.61 NC1CC=CCC1C(=O)O Amb18563429 [1,0,0,1,0,0|1,0,1]=4 2093 B10R1.61 NC1CCCCC1C(=O)O Amb20626164 [1,0,0,1,0,0|1,0,1]=4 2094 B10R1.61 NC1CCCCC1C(=O)O Amb2694788 [1,0,0,1,0,0|1,0,1]=4 2095 B10R1.61 NC1CNCCC1C(=O)O Amb27790638 [1,0,0,1,0,0|2,0,0]=4 2096 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O Amb1993849 [1,0,0,1,0,0|1,0,1]=4 2097 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O Amb1994002 [1,0,0,1,0,0|1,0,1]=4 2098 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Amb22800975 [1,0,0,1,0,0|1,0,1]=4 2099 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Amb9854886 [1,0,0,1,0,0|1,0,1]=4 2100 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O Amb1993723 [1,0,0,1,0,0|1,0,1]=4 2101 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Amb19148605 [1,0,0,1,0,0|1,0,1]=4 2102 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Amb22224856 [1,0,0,1,0,0|1,0,1]=4 2103 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O Amb1993721 [1,0,0,1,0,0|1,0,1]=4 2104 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O Amb1993765 [1,0,0,1,0,0|1,0,1]=4 2105 B10R1.61 N[C@@H]1COCC[C@@H]1C(=O)O Amb23399726 [1,0,0,1,0,0|2,0,0]=4 2106 B10R1.61 N[C@@H]1COCC[C@@H]1C(=O)O Amb33484156 [1,0,0,1,0,0|2,0,0]=4 2107 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O Amb1993848 [1,0,0,1,0,0|1,0,1]=4 2108 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O Amb1994001 [1,0,0,1,0,0|1,0,1]=4 2109 B10R1.61 N[C@H]1CC=CC[C@@H]1C(=O)O Amb26896028 [1,0,0,1,0,0|1,0,1]=4 2110 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O Amb1993722 [1,0,0,1,0,0|1,0,1]=4 2111 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O Amb6365687 [1,0,0,1,0,0|1,0,1]=4 2112 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O Amb22224868 [1,0,0,1,0,0|1,0,1]=4 2113 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Amb1993720 [1,0,0,1,0,0|1,0,1]=4 2114 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Amb6365686 [1,0,0,1,0,0|1,0,1]=4 2115 B10R1.61 N[C@H]1CNCC[C@H]1C(=O)O Amb28345659 [1,0,0,1,0,0|2,0,0]=4 2116 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O Amb26014626 [1,0,0,1,0,0|2,0,0]=4 2117 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O Amb33482769 [1,0,0,1,0,0|2,0,0]=4 2118 B10R1.61 O=C(O)C1CC=CCC1Br Amb27247567 [1,0,0,1,0,0|1,0,1]=4 2119 B10R1.61 O=C(O)C1CCCCC1Br Amb27425110 [1,0,0,1,0,0|1,0,1]=4 2120 B10R1.61 O=C(O)C1CCCCC1Cl Amb18126348 [1,0,0,1,0,0|1,0,1]=4 2121 B10R1.61 O=C(O)C1CCCCC1F Amb32667613 [1,0,0,1,0,0|1,0,1]=4 2122 B10R1.61 O=C(O)C1CCCCC1O Amb2694762 [1,0,0,1,0,0|1,0,1]=4 2123 B10R1.61 O=C(O)C1CCNCC1F Amb24077319 [1,0,0,1,0,0|2,0,0]=4 2124 B10R1.61 O=C(O)C1CCNCC1F Amb25287074 [1,0,0,1,0,0|2,0,0]=4 2125 B10R1.61 O=C(O)C1CCOCC1F Amb27968266 [1,0,0,1,0,0|2,0,0]=4 2126 B10R1.61 O=C(O)C1CCSCC1F Amb28290523 [1,0,0,1,0,0|2,0,0]=4 2127 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1Cl Amb28288041 [1,0,0,1,0,0|1,0,1]=4 2128 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Amb16204296 [1,0,0,1,0,0|1,0,1]=4 2129 B10R1.61 O=C(O)[C@@H]1CCNC[C@H]1O Amb22748902 [1,0,0,1,0,0|2,0,0]=4 2130 B10R1.61 O=C(O)[C@H]1CC=CC[C@@H]1Br Amb27623868 [1,0,0,1,0,0|1,0,1]=4 2131 B10R1.61 O=C(O)[C@H]1CCCC[C@@H]1Cl Amb27634391 [1,0,0,1,0,0|1,0,1]=4 2132 B10R1.61 O=C(O)[C@H]1CCCC[C@H]1O Amb4022448 [1,0,0,1,0,0|1,0,1]=4 2133 B10R1.64 CC(=O)CC1CCCC1C Amb24480371 [1,0,0,1,0,0|1,0,1]=4 2134 B10R1.64 CC(=O)CC1CNCC1C Amb33132731 [1,0,0,1,0,0|2,0,0]=4 2135 B10R1.64 CC(=O)C[C@@H]1CCC[C@H]1C Amb27768009 [1,0,0,1,0,0|1,0,1]=4 2136 B10R1.64 CC(=O)C[C@@H]1CNC[C@H]1C Amb33132736 [1,0,0,1,0,0|2,0,0]=4 2137 B10R1.64 CC(=O)C[C@H]1COC[C@@H]1C Amb27844184 [1,0,0,1,0,0|2,0,0]=4 2138 B10R1.64 CC1CC=NN1CC(=O)O Amb27184739 [1,0,0,1,0,0|2,0,0]=4 2139 B10R1.64 CC1CCCC1CC(=O)O Amb2696312 [1,0,0,1,0,0|0,0,1]=3 2140 B10R1.64 CC1CCCC1CC(N)=O Amb27828187 [1,0,0,1,0,0|1,0,1]=4 2141 B10R1.64 CC1CCCN1CC(=O)O Amb18954282 [1,0,0,1,0,0|1,0,1]=4 2142 B10R1.64 CC1CCCN1CC(=O)O Amb32653298 [1,0,0,1,0,0|1,0,1]=4 2143 B10R1.64 CC1CCNC1CC(=O)O Amb28059641 [1,0,0,1,0,0|1,0,1]=4 2144 B10R1.64 CC1CCOC1CC(=O)O Amb33620696 [1,0,0,1,0,0|1,0,1]=4 2145 B10R1.64 CC1CNCC1CC(=O)O Amb27643325 [1,0,0,1,0,0|1,0,0]=3 2146 B10R1.64 CC1CNCC1CC(=O)O Amb32753538 [1,0,0,1,0,0|1,0,0]=3 2147 B10R1.64 CC1COCC1CC(=O)O Amb35736018 [1,0,0,1,0,0|1,0,0]=3 2148 B10R1.64 CC1CSCC1CC(=O)O Amb28068257 [1,0,0,1,0,0|1,0,0]=3 2149 B10R1.64 CC1SCCC1CC(=O)O Amb18199391 [1,0,0,1,0,0|1,0,1]=4 2150 B10R1.64 CN1CCCC1CC(=O)O Amb22586774 [1,0,0,1,0,0|1,0,1]=4 2151 B10R1.64 CN1CCCC1CC(=O)O Amb8009896 [1,0,0,1,0,0|1,0,1]=4 2152 B10R1.64 C[C@@H]1CNC[C@H]1CC(=O)O Amb32683471 [1,0,0,1,0,0|1,0,0]=3 2153 B10R1.64 C[C@@H]1CNC[C@H]1CC(=O)O Amb32684495 [1,0,0,1,0,0|1,0,0]=3 2154 B10R1.64 C[C@@H]1NCC[C@H]1CC(=O)O Amb18202479 [1,0,0,1,0,0|1,0,1]=4 2155 B10R1.64 C[C@H]1NCC[C@@H]1CC(=O)O Amb27782907 [1,0,0,1,0,0|1,0,1]=4 2156 B10R1.64 NC1CCCC1CC(=O)O Amb2694936 [1,0,0,1,0,0|1,0,1]=4 2157 B10R1.64 NC1CCCC1CC(=O)O Amb8630072 [1,0,0,1,0,0|1,0,1]=4 2158 B10R1.64 NC1CSCC1CC(=O)O Amb18199825 [1,0,0,1,0,0|2,0,0]=4 2159 B10R1.64 N[C@@H]1CCC[C@H]1CC(=O)O Amb26580643 [1,0,0,1,0,0|1,0,1]=4 2160 B10R1.64 N[C@@H]1CCC[C@H]1CC(=O)O Amb32664820 [1,0,0,1,0,0|1,0,1]=4 2161 B10R1.64 N[C@@H]1COC[C@H]1CC(=O)O Amb27627825 [1,0,0,1,0,0|2,0,0]=4 2162 B10R1.64 N[C@H]1CCC[C@@H]1CC(=O)O Amb27461253 [1,0,0,1,0,0|1,0,1]=4 2163 B10R1.64 N[C@H]1CCC[C@H]1CC(=O)O Amb34914988 [1,0,0,1,0,0|1,0,1]=4 2164 B10R1.64 O=C(O)CC1C=CCC1O Amb18643848 [1,0,0,1,0,0|1,0,1]=4 2165 B10R1.64 O=C(O)CC1CCCC1O Amb18202404 [1,0,0,1,0,0|1,0,1]=4 2166 B10R1.64 O=C(O)CC1CNCC1F Amb27434632 [1,0,0,1,0,0|2,0,0]=4 2167 B10R1.64 O=C(O)CC1CNCC1O Amb27789865 [1,0,0,1,0,0|2,0,0]=4 2168 B10R1.64 O=C(O)C[C@@H]1C=CC[C@H]1O Amb27420165 [1,0,0,1,0,0|1,0,1]=4 2169 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Amb25960224 [1,0,0,1,0,0|1,0,1]=4 2170 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Amb32904239 [1,0,0,1,0,0|2,0,0]=4 2171 B10R1.64 O=C(O)C[C@H]1C=CC[C@@H]1O Amb27214680 [1,0,0,1,0,0|1,0,1]=4 2172 B10R1.64 O=C(O)C[C@H]1C=CC[C@H]1O Amb27882122 [1,0,0,1,0,0|1,0,1]=4 2173 B10R1.64 O=C(O)C[C@H]1CC=C[C@H]1O Amb27626051 [1,0,0,1,0,0|1,0,1]=4 2174 B10R1.64 O=C(O)C[C@H]1CCC[C@H]1O Amb27489875 [1,0,0,1,0,0|1,0,1]=4 2175 B10R1.66 CC(=O)CCC1C=NCC1 Amb27839052 [1,0,0,1,0,0|2,0,0]=4 2176 B10R1.66 CC(=O)CCC1CCCC1 Amb19374837 [1,0,0,1,0,0|1,0,1]=4 2177 B10R1.66 CC(=O)CCC1CCCN1 Amb24363350 [1,0,0,1,0,0|2,0,0]=4 2178 B10R1.66 CC(=O)CCC1CCCO1 Amb4056391 [1,0,0,1,0,0|2,0,0]=4 2179 B10R1.66 CC(=O)CCC1CCCS1 Amb33416798 [1,0,0,1,0,0|2,0,0]=4 2180 B10R1.66 NC(=O)CCC1CCCC1 Amb3742782 [1,0,0,1,0,0|1,0,1]=4 2181 B10R1.66 O=C(Cl)CCC1CCCC1 Amb3939147 [1,0,0,1,0,0|1,0,1]=4 2182 B10R1.66 O=C(Cl)CCC1CCCO1 Amb27480205 [1,0,0,1,0,0|2,0,0]=4 2183 B10R1.66 O=C(O)CCC1=CCCC1 Amb27591549 [1,0,0,1,0,0|0,0,1]=3 2184 B10R1.66 O=C(O)CCC1CCCC1 Amb2792875 [1,0,0,1,0,0|0,0,1]=3 2185 B10R1.66 O=C(O)CCC1CCCN1 Amb28895981 [1,0,0,1,0,0|1,0,0]=3 2186 B10R1.66 O=C(O)CCC1CCCN1 Amb8630849 [1,0,0,1,0,0|1,0,0]=3 2187 B10R1.66 O=C(O)CCC1CCCO1 Amb9776130 [1,0,0,1,0,0|1,0,0]=3 2188 B10R1.66 O=C(O)CCC1CCCS1 Amb18645411 [1,0,0,1,0,0|1,0,0]=3 2189 B10R1.66 O=C(O)CCC1CCNC1 Amb20668417 [1,0,0,1,0,0|1,0,1]=4 2190 B10R1.66 O=C(O)CCC1CCNC1 Amb22059448 [1,0,0,1,0,0|1,0,1]=4 2191 B10R1.66 O=C(O)CCC1CCOC1 Amb18296305 [1,0,0,1,0,0|1,0,1]=4 2192 B10R1.66 O=C(O)CCC1CCSC1 Amb18199268 [1,0,0,1,0,0|1,0,1]=4 2193 B10R1.66 O=C(O)CCC1OCCO1 Amb10605303 [1,0,0,1,0,0|2,0,0]=4 2194 B10R1.66 O=C(O)CCN1CCCC1 Amb15740874 [1,0,0,1,0,0|1,0,1]=4 2195 B10R1.66 O=C(O)CCN1CCCC1 Amb6356101 [1,0,0,1,0,0|1,0,1]=4 2196 B10R1.66 O=C(O)CCN1CCCO1 Amb22586923 [1,0,0,1,0,0|2,0,0]=4 2197 B10R1.66 O=C(O)CCN1CCCO1 Amb8009618 [1,0,0,1,0,0|2,0,0]=4 2198 B10R1.66 O=C(O)CC[C@@H]1CCCN1 Amb22745695 [1,0,0,1,0,0|1,0,0]=3 2199 B10R1.66 O=C(O)CC[C@@H]1CCCN1 Amb33291298 [1,0,0,1,0,0|1,0,0]=3 2200 B10R1.66 O=C(O)CC[C@H]1CCCN1 Amb26602714 [1,0,0,1,0,0|1,0,0]=3 2201 B10R1.66 O=C(O)CC[C@H]1CCCN1 Amb33868957 [1,0,0,1,0,0|1,0,0]=3 2202 B10R1.66 O=C(O)CC[S+]1CCCC1 Amb27863517 [1,0,0,1,0,0|1,0,1]=4 2203 B10R1.66 O=C(O)CNC1=CCCC1 Amb27768747 [1,0,0,1,0,0|1,0,1]=4 2204 B10R1.66 O=C(O)CNC1C=CCC1 Amb29855825 [1,0,0,1,0,0|1,0,1]=4 2205 B10R1.66 O=C(O)CNC1CCCC1 Amb1109994 [1,0,0,1,0,0|1,0,1]=4 2206 B10R1.66 O=C(O)CNC1CCCC1 Amb34914964 [1,0,0,1,0,0|1,0,1]=4 2207 B10R1.66 O=C(O)COC1CCCC1 Amb6258899 [1,0,0,1,0,0|1,0,1]=4 2208 B10R1.66 O=C(O)COC1CCCO1 Amb26609205 [1,0,0,1,0,0|2,0,0]=4 2209 B10R1.66 O=C(O)CSC1CCCC1 Amb6273990 [1,0,0,1,0,0|1,0,1]=4 2210 B10R1.78 O=C1CCCC=CCCN1 Amb27393949 [1,0,0,1,0,0|1,0,1]=4 2211 B10R1.78 O=C1CCCCCCCC1 Amb16185450 [1,0,0,1,0,0|1,0,1]=4 2212 B10R1.78 O=C1CCCCCCCN1 Amb8513494 [1,0,0,1,0,0|1,0,1]=4 2213 B10R1.78 O=C1CCCCSCCC1 Amb28144124 [1,0,0,1,0,0|2,0,0]=4 2214 B10R1.86 CCCN1CCC1C(=O)O Amb22011891 [1,0,0,1,0,0|1,0,0]=3 2215 B10R1.86 CCCN1CC[C@@H]1C(=O)O Amb30869401 [1,0,0,1,0,0|1,0,0]=3 2216 B10R1.86 CCCN1CC[C@H]1C(=O)O Amb33801596 [1,0,0,1,0,0|1,0,0]=3 2217 B10R1.86 O=C(O)C1CCC1CCF Amb27229342 [1,0,0,1,0,0|1,0,1]=4 2218 B10R1.86 O=C(O)[C@@H]1CCN1CCF Amb32643949 [1,0,0,1,0,0|2,0,0]=4 2219 B10R1.126 NC(=O)CCCNC1CC1 Amb28281193 [1,0,0,1,0,0|2,0,0]=4 2220 B10R1.126 O=C(O)CCCCC1CC1 Amb24480443 [1,0,0,1,0,0|0,0,1]=3 2221 B10R1.126 O=C(O)CCNCC1CC1 Amb7766419 [1,0,0,1,0,0|1,0,1]=4 2222 B10R1.126 O=C(O)CCOCC1CC1 Amb6680907 [1,0,0,1,0,0|1,0,1]=4 2223 B10R1.126 O=C(O)CCSCC1CC1 Amb9422823 [1,0,0,1,0,0|1,0,1]=4 2224 B10R1.144 CCCCC1CC1C(=O)O Amb10608641 [1,0,0,1,0,0|0,0,1]=3 2225 B10R1.144 CCCC[C@@H]1C[C@@H]1C(C)=O Amb27619227 [1,0,0,1,0,0|1,0,1]=4 2226 B10R1.144 CCCC[C@@H]1C[C@H]1C(=O)O Amb25960764 [1,0,0,1,0,0|0,0,1]=3 2227 B10R1.144 CCCC[C@@H]1O[C@H]1C(=O)O Amb24585157 [1,0,0,1,0,0|1,0,1]=4 2228 B10R1.144 CCOCC1CC1C(=O)O Amb28071192 [1,0,0,1,0,0|1,0,1]=4 2229 B10R1.144 CCOC[C@@H]1C[C@H]1C(=O)O Amb26947700 [1,0,0,1,0,0|1,0,1]=4 2230 B10R1.144 CCSCC1CC1C(=O)O Amb33324041 [1,0,0,1,0,0|1,0,1]=4 2231 B10R1.144 CCSC[C@@H]1C[C@H]1C(=O)O Amb33324038 [1,0,0,1,0,0|1,0,1]=4 2232 B10R1.144 CC\C=C\C1CC1C(=O)Cl Amb27815399 [1,0,0,1,0,0|1,0,1]=4 2233 B10R1.144 CC\C=C\C1CC1C(=O)O Amb33080031 [1,0,0,1,0,0|0,0,1]=3 2234 B10R1.144 CC\C=C\[C@@H]1C[C@H]1C(=O)O Amb33269506 [1,0,0,1,0,0|0,0,1]=3 2235 B10R1.144 COCCC1CC1C(=O)O Amb33377829 [1,0,0,1,0,0|1,0,1]=4 2236 B10R1.144 COCC[C@@H]1C[C@H]1C(=O)O Amb33377827 [1,0,0,1,0,0|1,0,1]=4 2237 B10R1.144 CSCCC1CC1C(=O)O Amb33198761 [1,0,0,1,0,0|1,0,1]=4 2238 B10R1.144 CSCC[C@@H]1C[C@H]1C(=O)O Amb33198757 [1,0,0,1,0,0|1,0,1]=4 2239 B10R1.144 NC\C=C\[C@@H]1C[C@@H]1C(=O)O Amb27858384 [1,0,0,1,0,0|1,0,1]=4 2240 B10R1.162 CCC1=CCCCC(=O)N1 Amb27797382 [1,0,0,1,0,0|1,0,1]=4 2241 B10R1.162 CCC1CCCCC(=O)C1 Amb28126018 [1,0,0,1,0,0|1,0,1]=4 2242 B10R1.162 CC[C@@H]1CCCCC(=O)C1 Amb27236500 [1,0,0,1,0,0|1,0,1]=4 2243 B10R1.162 CC[C@H]1CCCCC(=O)C1 Amb27615128 [1,0,0,1,0,0|1,0,1]=4 2244 B10R1.162 O=C1CCCCC(CBr)O1 Amb28342313 [1,0,0,1,0,0|1,0,1]=4 2245 B10R1.162 O=C1CCCCC(CO)O1 Amb27663769 [1,0,0,1,0,0|1,0,1]=4 2246 B10R1.173 CCN1CCC1CC(=O)O Amb27238754 [1,0,0,1,0,0|1,0,1]=4 2247 B10R1.348 CC(=O)C1CCCCCC1 Amb24407172 [1,0,0,1,0,0|1,0,1]=4 2248 B10R1.348 CC(=O)C1CCCOCC1 Amb27772516 [1,0,0,1,0,0|2,0,0]=4 2249 B10R1.348 CC(=O)C1CCCSCC1 Amb30031083 [1,0,0,1,0,0|2,0,0]=4 2250 B10R1.348 NC(=O)C1CCCCCC1 Amb24182051 [1,0,0,1,0,0|1,0,1]=4 2251 B10R1.348 NC(=O)C1CCCSCC1 Amb30030983 [1,0,0,1,0,0|2,0,0]=4 2252 B10R1.348 O=C(Cl)C1CCCCCC1 Amb18797932 [1,0,0,1,0,0|1,0,1]=4 2253 B10R1.348 O=C(Cl)C1CCCSCC1 Amb35649671 [1,0,0,1,0,0|2,0,0]=4 2254 B10R1.348 O=C(O)C1CCC=CCC1 Amb22364688 [1,0,0,1,0,0|0,0,1]=3 2255 B10R1.348 O=C(O)C1CCCCCC1 Amb2721236 [1,0,0,1,0,0|0,0,1]=3 2256 B10R1.348 O=C(O)C1CCCCCN1 Amb542684 [1,0,0,1,0,0|1,0,1]=4 2257 B10R1.348 O=C(O)C1CCCCCN1 Amb8504180 [1,0,0,1,0,0|1,0,1]=4 2258 B10R1.348 O=C(O)C1CCCCCO1 Amb28294213 [1,0,0,1,0,0|1,0,1]=4 2259 B10R1.348 O=C(O)C1CCCCNC1 Amb30586509 [1,0,0,1,0,0|1,0,1]=4 2260 B10R1.348 O=C(O)C1CCCCNC1 Amb8630383 [1,0,0,1,0,0|1,0,1]=4 2261 B10R1.348 O=C(O)C1CCCNCC1 Amb18831588 [1,0,0,1,0,0|1,0,0]=3 2262 B10R1.348 O=C(O)C1CCCNCC1 Amb33189342 [1,0,0,1,0,0|1,0,0]=3 2263 B10R1.348 O=C(O)C1CCCOCC1 Amb18831505 [1,0,0,1,0,0|1,0,0]=3 2264 B10R1.348 O=C(O)C1CCCSCC1 Amb18199262 [1,0,0,1,0,0|1,0,0]=3 2265 B10R1.348 O=C(O)C1CCNCCO1 Amb27632727 [1,0,0,1,0,0|2,0,0]=4 2266 B10R1.348 O=C(O)[C@@H]1CC=CCCN1 Amb27440042 [1,0,0,1,0,0|1,0,1]=4 2267 B10R1.348 O=C(O)[C@@H]1CCCCCN1 Amb2699229 [1,0,0,1,0,0|1,0,1]=4 2268 B10R1.348 O=C(O)[C@@H]1CCCCCN1 Amb8630384 [1,0,0,1,0,0|1,0,1]=4 2269 B10R1.348 O=C(O)[C@@H]1CCCNCC1 Amb27411309 [1,0,0,1,0,0|1,0,0]=3 2270 B10R1.348 O=C(O)[C@@H]1CCCOCC1 Amb27839414 [1,0,0,1,0,0|1,0,0]=3 2271 B10R1.348 O=C(O)[C@H]1CCCCCN1 Amb27770395 [1,0,0,1,0,0|1,0,1]=4 2272 B10R1.348 O=C(O)[C@H]1CCCCCN1 Amb33299452 [1,0,0,1,0,0|1,0,1]=4 2273 B10R1.348 O=C(O)[C@H]1CCCNCC1 Amb24479341 [1,0,0,1,0,0|1,0,0]=3 2274 B10R1.348 O=C(O)[C@H]1CCCOCC1 Amb27604305 [1,0,0,1,0,0|1,0,0]=3 2275 B10R1.11 CCCC(=O)C1CCCC1 Amb24559741 [1,0,0,1,0,0|1,0,1]=4 2276 B10R1.11 CCCC(=O)C1CCCN1 Amb17231936 [1,0,0,1,0,0|1,0,1]=4 2277 B10R1.11 CCCC(=O)C1CCCO1 Amb26327498 [1,0,0,1,0,0|0,0,1]=3 2278 B10R1.11 CCCC(=O)C1CCNC1 Amb26596993 [1,0,0,1,0,0|2,0,0]=4 2279 B10R1.11 CCCC(=O)C1CCSC1 Amb28061454 [1,0,0,1,0,0|2,0,0]=4 2280 B10R1.11 CCCC(=O)[C@@H]1CCCN1 Amb33132133 [1,0,0,1,0,0|1,0,1]=4 2281 B10R1.11 CCCC(=O)[C@@H]1CCNC1 Amb29891830 [1,0,0,1,0,0|2,0,0]=4 2282 B10R1.11 CCCC(=O)[C@H]1CCCN1 Amb33132120 [1,0,0,1,0,0|1,0,1]=4 2283 B10R1.11 CCCC(=O)[C@H]1CCNC1 Amb30040276 [1,0,0,1,0,0|2,0,0]=4 2284 B10R1.11 CCOC(=O)C1C=CCC1 Amb24356534 [1,0,0,1,0,0|2,0,0]=4 2285 B10R1.11 CCOC(=O)C1CCC=N1 Amb24093469 [1,0,0,1,0,0|2,0,0]=4 2286 B10R1.11 CCOC(=O)C1CCCO1 Amb8392935 [1,0,0,1,0,0|1,0,1]=4 2287 B10R1.11 CCOC(=O)C1CCNO1 Amb23512822 [1,0,0,1,0,0|2,0,0]=4 2288 B10R1.11 CCOC(=O)C1CCNO1 Amb33329949 [1,0,0,1,0,0|2,0,0]=4 2289 B10R1.11 CCOC(=O)[C@@H]1CCC=N1 Amb27165233 [1,0,0,1,0,0|2,0,0]=4 2290 B10R1.11 CCOC(=O)[C@@H]1CCCO1 Amb26550140 [1,0,0,1,0,0|1,0,1]=4 2291 B10R1.11 CCOC(=O)[C@H]1C=CCC1 Amb25103016 [1,0,0,1,0,0|2,0,0]=4 2292 B10R1.11 CCOC(=O)[C@H]1CCCO1 Amb26547140 [1,0,0,1,0,0|1,0,1]=4 2293 B10R1.11 CNCC(=O)C1CCCO1 Amb24727531 [1,0,0,1,0,0|1,0,1]=4 2294 B10R1.11 COCC(=O)[C@@H]1CCCO1 Amb33734258 [1,0,0,1,0,0|1,0,1]=4 2295 B10R1.11 NCCC(=O)C1CCCO1 Amb33318755 [1,0,0,1,0,0|1,0,1]=4 2296 B10R1.19 CCC1CCCCCC1=O Amb25948482 [1,0,0,1,0,0|1,0,1]=4 2297 B10R1.19 CC[C@H]1CCCCCC1=O Amb27951448 [1,0,0,1,0,0|1,0,1]=4 2298 B10R1.21 O=CCCCC1CCCC1 Amb25838994 [1,0,0,1,0,0|1,0,1]=4 2299 B10R1.21 O=CCCCC1CCCO1 Amb25714393 [1,0,0,1,0,0|0,0,2]=4 2300 B10R1.21 O=CCCCC1CCCS1 Amb33415400 [1,0,0,1,0,0|0,1,1]=4 2301 B10R1.21 O=CCCCN1CCCC1 Amb33445897 [1,0,0,1,0,0|2,0,0]=4 2302 B10R1.21 OCCCCC1=CCCC1 Amb28077745 [1,0,0,1,0,0|1,0,1]=4 2303 B10R1.25 CC1=CC(C)C(C=O)CC1 Amb1033067 [1,0,0,1,0,0|1,0,1]=4 2304 B10R1.25 CC1=CCC(C=O)C(C)C1 Amb533121 [1,0,0,1,0,0|1,0,1]=4 2305 B10R1.25 CC1=CC[C@H](C=O)[C@H](C)C1 Amb27224722 [1,0,0,1,0,0|1,0,1]=4 2306 B10R1.25 CC1CC(=O)CCC1C=O Amb18643589 [1,0,0,1,0,0|0,0,0]=2 2307 B10R1.25 CC1CC(=O)CCC1CO Amb27165159 [1,0,0,1,0,0|0,0,1]=3 2308 B10R1.25 CC1CCC(C=O)C(C)C1 Amb811695 [1,0,0,1,0,0|1,0,1]=4 2309 B10R1.25 CC1CN(C)CCC1C=O Amb27838943 [1,0,0,1,0,0|2,0,0]=4 2310 B10R1.25 CC1NC(=O)CCC1CO Amb27423295 [1,0,0,1,0,0|1,0,1]=4 2311 B10R1.25 CCC1CCC(=O)CC1C Amb25146818 [1,0,0,1,0,0|1,0,1]=4 2312 B10R1.25 CC[C@@H]1CCC(=O)C[C@H]1C Amb27789898 [1,0,0,1,0,0|1,0,1]=4 2313 B10R1.25 CC[C@H]1CCC(=O)C[C@H]1C Amb27428397 [1,0,0,1,0,0|1,0,1]=4 2314 B10R1.25 COC1CCC(=O)CC1C Amb27802571 [1,0,0,1,0,0|2,0,0]=4 2315 B10R1.25 C[C@@H]1CC(=O)CC[C@@H]1C#N Amb28321877 [1,0,0,1,0,0|1,0,1]=4 2316 B10R1.25 C[C@@H]1CC(=O)CC[C@H]1C=O Amb24470340 [1,0,0,1,0,0|0,0,0]=2 2317 B10R1.25 C[C@H]1CC(=O)CC[C@H]1C=O Amb25234118 [1,0,0,1,0,0|0,0,0]=2 2318 B10R1.29 C=CCCC1CCCC1=O Amb26474240 [1,0,0,1,0,0|1,0,0]=3 2319 B10R1.29 C=CCCC1COCC1=O Amb29883601 [1,0,0,1,0,0|2,0,0]=4 2320 B10R1.29 C=CCCC1CSCC1=O Amb27753177 [1,0,0,1,0,0|2,0,0]=4 2321 B10R1.29 CCCCC1CCCC1=O Amb19301037 [1,0,0,1,0,0|1,0,1]=4 2322 B10R1.29 CN1CCCC1CCC=O Amb25305618 [1,0,0,1,0,0|2,0,0]=4 2323 B10R1.29 COCCC1CCCC1=O Amb27665846 [1,0,0,1,0,0|2,0,0]=4 2324 B10R1.29 CSCCC1CCCC1=O Amb27794162 [1,0,0,1,0,0|2,0,0]=4 2325 B10R1.29 N#CCCC1CCCC1=O Amb4477198 [1,0,0,1,0,0|1,0,1]=4 2326 B10R1.29 O=C1CCCC1CCCF Amb26876720 [1,0,0,1,0,0|1,0,1]=4 2327 B10R1.29 O=C1CCCN1CCCO Amb3939639 [1,0,0,1,0,0|1,0,1]=4 2328 B10R1.29 O=C1CCC[C@@H]1CCCBr Amb27233151 [1,0,0,1,0,0|1,0,1]=4 2329 B10R1.29 O=C1CSCC1CCCO Amb27218665 [1,0,0,1,0,0|1,0,1]=4 2330 B10R1.29 O=C1NCCC1CCCO Amb27460992 [1,0,0,1,0,0|1,0,1]=4 2331 B10R1.29 O=C1NCCC1CCCO Amb32667562 [1,0,0,1,0,0|1,0,1]=4 2332 B10R1.29 O=C1OCCC1CCCO Amb27977861 [1,0,0,1,0,0|1,0,1]=4 2333 B10R1.29 O=CCCC1CCCC1O Amb27636929 [1,0,0,1,0,0|0,0,2]=4 2334 B10R1.60 CCC[C@H]1O[C@@H]1CCC=O Amb27235308 [1,0,0,1,0,0|0,0,2]=4 2335 B10R1.96 CCCN1CCC(C=O)C1 Amb23570954 [1,0,0,1,0,0|2,0,0]=4 2336 B10R1.130 C=CCC1NC(=O)CC1C Amb27424996 [1,0,0,1,0,0|2,0,0]=4 2337 B10R1.130 CC1CC(=O)NC1CCO Amb28436129 [1,0,0,1,0,0|1,0,1]=4 2338 B10R1.130 CC1NC(=O)NC1CC=O Amb27390049 [1,0,0,1,0,0|2,0,0]=4 2339 B10R1.130 CCC[C@@H]1CC(=O)C[C@H]1C Amb27211928 [1,0,0,1,0,0|1,0,1]=4 2340 B10R1.130 CCC[C@H]1CC(=O)C[C@@H]1C Amb28253334 [1,0,0,1,0,0|1,0,1]=4 2341 B10R1.130 C[C@@H]1CC(=O)N[C@H]1CC=O Amb28457700 [1,0,0,1,0,0|1,0,0]=3 2342 B10R1.130 C[C@@H]1NC(=O)C[C@@H]1CCO Amb27192643 [1,0,0,1,0,0|1,0,1]=4 2343 B10R1.130 C[C@H]1CC(=O)O[C@H]1CCO Amb27805439 [1,0,0,1,0,0|1,0,1]=4 2344 B10R1.130 O=CC[C@@H]1OC(=O)C[C@@H]1O Amb27790020 [1,0,0,1,0,0|2,0,0]=4 2345 B10R1.135 C=CC1CC1C(=O)OCC Amb24398675 [1,0,0,1,0,0|2,0,0]=4 2346 B10R1.135 C=C[C@H]1C[C@@H]1C(=O)OCC Amb28141862 [1,0,0,1,0,0|2,0,0]=4 2347 B10R1.135 CCCC(=O)C1CC1CN Amb33132454 [1,0,0,1,0,0|1,0,1]=4 2348 B10R1.135 CCCC(=O)[C@@H]1C[C@@H]1CN Amb33132476 [1,0,0,1,0,0|1,0,1]=4 2349 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1CC Amb27244202 [1,0,0,1,0,0|1,0,1]=4 2350 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1OC Amb28132136 [1,0,0,1,0,0|2,0,0]=4 2351 B10R1.135 CCCC(C)C1CC1C=O Amb32669251 [1,0,0,1,0,0|1,0,1]=4 2352 B10R1.135 CCOC(=O)C1CC1C=O Amb3939902 [1,0,0,1,0,0|1,0,0]=3 2353 B10R1.135 CCOC(=O)C1CC1CO Amb2698039 [1,0,0,1,0,0|1,0,1]=4 2354 B10R1.135 CCOC(=O)C1OC1C=O Amb25804171 [1,0,0,1,0,0|2,0,0]=4 2355 B10R1.135 CCOC(=O)[C@@H]1CC1CO Amb28050782 [1,0,0,1,0,0|1,0,1]=4 2356 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1CO Amb27246386 [1,0,0,1,0,0|1,0,1]=4 2357 B10R1.135 CCOC(=O)[C@@H]1O[C@@H]1C=O Amb27440016 [1,0,0,1,0,0|2,0,0]=4 2358 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO Amb26046389 [1,0,0,1,0,0|1,0,1]=4 2359 B10R1.135 CCOC(=O)[C@H]1C[C@H]1C=O Amb28052722 [1,0,0,1,0,0|1,0,0]=3 2360 B10R1.135 CCOC(=O)[C@H]1O[C@@H]1C=O Amb26959686 [1,0,0,1,0,0|2,0,0]=4 2361 B10R1.137 CCCC(=O)CC1CNC1 Amb27976931 [1,0,0,1,0,0|2,0,0]=4 2362 B10R1.138 CCCC(=O)OCC1CO1 Amb22002461 [1,0,0,1,0,0|1,0,1]=4 2363 B10R1.138 CCCC(=O)OC[C@@H]1CO1 Amb2725545 [1,0,0,1,0,0|1,0,1]=4 2364 B10R1.138 CCCC(=O)OC[C@H]1CO1 Amb19664807 [1,0,0,1,0,0|1,0,1]=4 2365 B10R1.138 CCOC(=O)CCC1CO1 Amb26033229 [1,0,0,1,0,0|1,0,1]=4 2366 B10R1.138 CNCC(=O)CCC1CO1 Amb33307858 [1,0,0,1,0,0|1,0,1]=4 2367 B10R1.138 NCCC(=O)CCC1CO1 Amb33307857 [1,0,0,1,0,0|1,0,1]=4 2368 B10R1.139 C=C1CCC1C(=O)OCC Amb26634495 [1,0,0,1,0,0|2,0,0]=4 2369 B10R1.139 CCOC(=O)C1CCC1=O Amb26353283 [1,0,0,1,0,0|1,0,0]=3 2370 B10R1.139 CCOC(=O)C1CCC1O Amb25061668 [1,0,0,1,0,0|1,0,1]=4 2371 B10R1.139 CCOC(=O)C1OCC1=O Amb27423873 [1,0,0,1,0,0|2,0,0]=4 2372 B10R1.139 CCOC(=O)[C@@H]1CC[C@@H]1O Amb27261464 [1,0,0,1,0,0|1,0,1]=4 2373 B10R1.139 CCOC(=O)[C@H]1CC[C@H]1O Amb28137779 [1,0,0,1,0,0|1,0,1]=4 2374 B10R1.186 C=CCCCC(=O)C1CC1 Amb27443739 [1,0,0,1,0,0|1,0,0]=3 2375 B10R1.186 C=CCNCC(=O)C1CC1 Amb25929722 [1,0,0,1,0,0|2,0,0]=4 2376 B10R1.186 CC(CCCC=O)C1CC1 Amb32729552 [1,0,0,1,0,0|1,0,1]=4 2377 B10R1.186 CNCCCC(=O)C1CC1 Amb27831747 [1,0,0,1,0,0|2,0,0]=4 2378 B10R1.186 NCCCCC(=O)C1CC1 Amb24359728 [1,0,0,1,0,0|1,0,1]=4 2379 B10R1.186 O=C(NCCCO)C1CC1 Amb6467246 [1,0,0,1,0,0|1,0,1]=4 2380 B10R1.186 O=CCCCC(=O)C1CC1 Amb27972298 [1,0,0,1,0,0|0,0,0]=2 2381 B10R1.186 O=CCCNC(=O)C1CC1 Amb17102169 [1,0,0,1,0,0|1,0,0]=3 2382 B10R1.245 CCC1=C(C)CCCC1=O Amb17593513 [1,0,0,1,0,0|1,0,1]=4 2383 B10R1.245 CCC1C(=O)NCNC1=O Amb27949111 [1,0,0,1,0,0|2,0,0]=4 2384 B10R1.245 CCN1C(=O)CCCC1=O Amb17613794 [1,0,0,1,0,0|1,0,0]=3 2385 B10R1.245 CCN1C(=O)CCCC1O Amb28455598 [1,0,0,1,0,0|1,0,1]=4 2386 B10R1.245 CCN1C(=O)CNCC1=O Amb17334199 [1,0,0,1,0,0|2,0,0]=4 2387 B10R1.245 CCN1C(=O)CNCC1=O Amb22886466 [1,0,0,1,0,0|2,0,0]=4 2388 B10R1.245 CCN1C(=O)CSCC1=O Amb27829511 [1,0,0,1,0,0|2,0,0]=4 2389 B10R1.245 CC[C@@H]1C(=O)CCC[C@H]1C Amb27428400 [1,0,0,1,0,0|1,0,1]=4 2390 B10R1.245 N#CC1C(=O)CCCC1=O Amb10977262 [1,0,0,1,0,0|1,0,1]=4 2391 B10R1.245 O=C1CCCC(=O)N1CCl Amb28203939 [1,0,0,1,0,0|2,0,0]=4 2392 B10R1.257 C=CC1CCC(=O)C1SC Amb27859072 [1,0,0,1,0,0|2,0,0]=4 2393 B10R1.257 C=C[C@@H]1CCC(=O)[C@@H]1CC Amb27443807 [1,0,0,1,0,0|1,0,0]=3 2394 B10R1.257 C=C[C@@H]1CCC(=O)[C@H]1CC Amb28052427 [1,0,0,1,0,0|1,0,0]=3 2395 B10R1.257 C=C[C@@H]1CCC(=O)[C@H]1CO Amb28351366 [1,0,0,1,0,0|2,0,0]=4 2396 B10R1.257 CCC1=C(C=O)CCC1=O Amb8388905 [1,0,0,1,0,0|0,0,2]=4 2397 B10R1.257 CCC1C(=O)OCC1CO Amb28048359 [1,0,0,1,0,0|1,0,1]=4 2398 B10R1.257 CCN1C(=O)OC[C@H]1C=O Amb24479208 [1,0,0,1,0,0|2,0,0]=4 2399 B10R1.257 CC[C@@H]1C(=O)CC[C@H]1C=O Amb24753204 [1,0,0,1,0,0|0,0,0]=2 2400 B10R1.257 O=C1CCC(CO)C1CO Amb27861226 [1,0,0,1,0,0|1,0,1]=4 2401 B10R1.260 C=CC[C@@H]1NC(=O)[C@@H]1CC Amb27252157 [1,0,0,1,0,0|2,0,0]=4 2402 B10R1.260 CCC1C(=O)NC1CCO Amb27873936 [1,0,0,1,0,0|1,0,1]=4 2403 B10R1.406 C=CCC[C@@H]1C(=O)N[C@H]1C Amb28388269 [1,0,0,1,0,0|2,0,0]=4 2404 B10R1.406 CCCCC1C(=O)CC1C Amb27802538 [1,0,0,1,0,0|1,0,1]=4 2405 B10R1.406 CCCC[C@@H]1C(=O)C[C@@H]1C Amb28142264 [1,0,0,1,0,0|1,0,1]=4 2406 B10R1.1 CCCC1=NNC(=O)CC1 Amb25292177 [0,0,0,1,1,0|2,0,0]=4 2407 B10R1.1 CCCC1CCC(=O)OC1 Amb26008142 [0,0,0,1,1,0|1,0,1]=4 2408 B10R1.30 C=C1CCC(=O)C(CC)C1 Amb28126674 [0,0,0,1,1,0|2,0,0]=4 2409 B10R1.30 C=C1CCC(=O)[C@H](CC)C1 Amb27760466 [0,0,0,1,1,0|2,0,0]=4 2410 B10R1.30 CCC1NC(=O)CNC1=O Amb22496698 [0,0,0,1,1,0|2,0,0]=4 2411 B10R1.30 CCN1CC(=O)CCC1=O Amb23555699 [0,0,0,1,1,0|2,0,0]=4 2412 B10R1.30 CC[C@@H]1NC(=O)CNC1=O Amb24426869 [0,0,0,1,1,0|2,0,0]=4 2413 B10R1.30 CC[C@H]1NC(=O)CNC1=O Amb26960974 [0,0,0,1,1,0|2,0,0]=4 2414 B10R1.30 CSC1OC(=O)OCC1=O Amb27218347 [0,0,0,1,1,0|2,0,0]=4 2415 B10R1.52 CCC1C(=O)NC1C(C)=O Amb26034436 [0,0,0,1,1,0|2,0,0]=4 2416 B10R1.52 CC[C@@H]1C(=O)N[C@@H]1C(C)=O Amb25175090 [0,0,0,1,1,0|2,0,0]=4 2417 B10R1.52 CC[C@H]1C(=O)N[C@@H]1C(C)=O Amb27446522 [0,0,0,1,1,0|2,0,0]=4 2418 B10R1.52 CC[C@H]1C(=O)N[C@H]1C(C)=O Amb25292232 [0,0,0,1,1,0|2,0,0]=4 2419 B10R1.59 C=C(C)C1CC(=O)CC1C Amb28144219 [0,0,0,1,1,0|2,0,0]=4 2420 B10R1.59 C=C(C)[C@@H]1CC(=O)C[C@H]1C Amb27433511 [0,0,0,1,1,0|2,0,0]=4 2421 B10R1.59 C=C1CC(N)C(C(=O)O)C1 Amb27779891 [0,0,0,1,1,0|2,0,0]=4 2422 B10R1.59 C=C1C[C@H](N)[C@@H](C(=O)O)C1 Amb10071928 [0,0,0,1,1,0|2,0,0]=4 2423 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 Amb17938168 [0,0,0,1,1,0|2,0,0]=4 2424 B10R1.59 CC(=O)[C@@H]1CC(=O)C[C@@H]1C Amb27844197 [0,0,0,1,1,0|1,0,0]=3 2425 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [0,0,0,1,1,0|2,0,0]=4 2426 B10R1.59 CC1CC(=O)NC1C(=O)O Amb25063723 [0,0,0,1,1,0|1,0,0]=3 2427 B10R1.59 CC1CC(=O)NC1C(N)=O Amb28435298 [0,0,0,1,1,0|2,0,0]=4 2428 B10R1.59 CC1CC(O)CC1C(=O)O Amb27447223 [0,0,0,1,1,0|0,0,2]=4 2429 B10R1.59 CC1CN(C)CC1C(=O)O Amb24478023 [0,0,0,1,1,0|2,0,0]=4 2430 B10R1.59 CC1CN(C)CC1C(=O)O Amb33552546 [0,0,0,1,1,0|2,0,0]=4 2431 B10R1.59 CC1NC(=O)OC1C(=O)O Amb25046075 [0,0,0,1,1,0|2,0,0]=4 2432 B10R1.59 CC1OC(=O)NC1C(=O)O Amb18644184 [0,0,0,1,1,0|2,0,0]=4 2433 B10R1.59 CC1SC(=O)NC1C(=O)O Amb28208417 [0,0,0,1,1,0|2,0,0]=4 2434 B10R1.59 CC1SC(=O)SC1C(=O)O Amb23504453 [0,0,0,1,1,0|2,0,0]=4 2435 B10R1.59 CN1NC(=O)CC1C(=O)O Amb25761701 [0,0,0,1,1,0|2,0,0]=4 2436 B10R1.59 C[C@@H]1CC(=O)C[C@H]1C(=O)O Amb26891990 [0,0,0,1,1,0|0,0,0]=2 2437 B10R1.59 C[C@@H]1CC(=O)N[C@@H]1C(=O)O Amb27188183 [0,0,0,1,1,0|1,0,0]=3 2438 B10R1.59 C[C@@H]1CC(=O)O[C@@H]1C(=O)O Amb28428901 [0,0,0,1,1,0|1,0,0]=3 2439 B10R1.59 C[C@@H]1CN(C)C[C@H]1C(=O)O Amb24643115 [0,0,0,1,1,0|2,0,0]=4 2440 B10R1.59 C[C@@H]1NC(=O)C[C@@H]1C(N)=O Amb27445968 [0,0,0,1,1,0|2,0,0]=4 2441 B10R1.59 C[C@@H]1NC(=O)C[C@H]1C(=O)O Amb18202489 [0,0,0,1,1,0|1,0,0]=3 2442 B10R1.59 C[C@@H]1NC(=O)O[C@@H]1C(=O)O Amb28057719 [0,0,0,1,1,0|2,0,0]=4 2443 B10R1.59 C[C@@H]1NC(=O)O[C@H]1C(=O)O Amb27630658 [0,0,0,1,1,0|2,0,0]=4 2444 B10R1.59 C[C@@H]1OC(=O)C[C@@H]1C(=O)O Amb27810863 [0,0,0,1,1,0|1,0,0]=3 2445 B10R1.59 C[C@@H]1OC(=O)N[C@H]1C(=O)O Amb25243703 [0,0,0,1,1,0|2,0,0]=4 2446 B10R1.59 C[C@@H]1SC(=O)S[C@H]1C(=O)O Amb28384455 [0,0,0,1,1,0|2,0,0]=4 2447 B10R1.59 C[C@H]1CC(=O)N[C@@H]1C(=O)O Amb28429784 [0,0,0,1,1,0|1,0,0]=3 2448 B10R1.59 C[C@H]1CC(=O)O[C@@H]1C(=O)O Amb27230560 [0,0,0,1,1,0|1,0,0]=3 2449 B10R1.59 C[C@H]1NC(=O)O[C@@H]1C(=O)O Amb28346276 [0,0,0,1,1,0|2,0,0]=4 2450 B10R1.59 C[C@H]1OC(=O)O[C@@H]1C(=O)O Amb27446650 [0,0,0,1,1,0|2,0,0]=4 2451 B10R1.59 NC1CC(=O)CC1C(=O)O Amb24523031 [0,0,0,1,1,0|1,0,0]=3 2452 B10R1.59 N[C@H]1CC(=O)C[C@H]1C(=O)O Amb27658876 [0,0,0,1,1,0|1,0,0]=3 2453 B10R1.59 O=C1CC(O)C(C(=O)O)N1 Amb27175349 [0,0,0,1,1,0|2,0,0]=4 2454 B10R1.59 O=C1CC(O)C(C(=O)O)O1 Amb27815003 [0,0,0,1,1,0|2,0,0]=4 2455 B10R1.59 O=C1C[C@@H](O)[C@H](C(=O)O)O1 Amb27254163 [0,0,0,1,1,0|2,0,0]=4 2456 B10R1.59 O=C1C[C@H](O)[C@@H](C(=O)O)N1 Amb27803055 [0,0,0,1,1,0|2,0,0]=4 2457 B10R1.63 CC1CC(=O)CCS1(=O)=O Amb1070293 [0,0,0,1,1,0|1,0,1]=4 2458 B10R1.71 C=C1CCCCC(=O)CC1 Amb27255772 [0,0,0,1,1,0|2,0,0]=4 2459 B10R1.71 O=C1CCCCC(=O)CC1 Amb4035103 [0,0,0,1,1,0|1,0,0]=3 2460 B10R1.82 CC1CC(CCC(=O)O)C1 Amb23570781 [0,0,0,1,1,0|1,0,1]=4 2461 B10R1.82 CC1CN(CCC(=O)O)C1 Amb28072562 [0,0,0,1,1,0|2,0,0]=4 2462 B10R1.93 CCCC1CC(C(=O)O)C1 Amb23537724 [0,0,0,1,1,0|1,0,1]=4 2463 B10R1.93 CCC[C@H]1C[C@@H](C(=O)O)C1 Amb28423037 [0,0,0,1,1,0|1,0,1]=4 2464 B10R1.113 C=C(C)C1CCCC(=O)C1 Amb17593503 [0,0,0,1,1,0|2,0,0]=4 2465 B10R1.113 C=C(C)[C@H]1CCCC(=O)C1 Amb27262989 [0,0,0,1,1,0|2,0,0]=4 2466 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [0,0,0,1,1,0|2,0,0]=4 2467 B10R1.113 CC(=O)C1CCCS(=O)C1 Amb28400076 [0,0,0,1,1,0|2,0,0]=4 2468 B10R1.113 CC(=O)C1CCNC(=O)C1 Amb24511548 [0,0,0,1,1,0|2,0,0]=4 2469 B10R1.113 CC(=O)N1CCCC(=O)C1 Amb18831760 [0,0,0,1,1,0|2,0,0]=4 2470 B10R1.113 CC(=O)[C@@H]1CCCC(=O)C1 Amb27974638 [0,0,0,1,1,0|1,0,0]=3 2471 B10R1.113 CC1=CC(C(=O)O)CCC1 Amb27252115 [0,0,0,1,1,0|1,0,1]=4 2472 B10R1.113 CC1CCCC(C(=O)O)C1 Amb3939935 [0,0,0,1,1,0|1,0,1]=4 2473 B10R1.113 CN1CCCC(C(=O)O)C1 Amb2689660 [0,0,0,1,1,0|2,0,0]=4 2474 B10R1.113 CN1CCCC(C(=O)O)C1 Amb9238836 [0,0,0,1,1,0|2,0,0]=4 2475 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 Amb22751960 [0,0,0,1,1,0|2,0,0]=4 2476 B10R1.113 CN1CCC[C@H](C(=O)O)C1 Amb28428437 [0,0,0,1,1,0|2,0,0]=4 2477 B10R1.113 CS(=O)C1CCCC(=O)C1 Amb27839040 [0,0,0,1,1,0|2,0,0]=4 2478 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)C1 Amb25919595 [0,0,0,1,1,0|1,0,1]=4 2479 B10R1.113 NC(=O)C1CC(=O)CCN1 Amb18202632 [0,0,0,1,1,0|2,0,0]=4 2480 B10R1.113 NC(=O)C1CCCC(=O)C1 Amb24470598 [0,0,0,1,1,0|1,0,0]=3 2481 B10R1.113 NC(=O)[C@@H]1CCCC(=O)N1 Amb24753146 [0,0,0,1,1,0|2,0,0]=4 2482 B10R1.113 NC1=NCCC(C(=O)O)C1 Amb28042963 [0,0,0,1,1,0|2,0,0]=4 2483 B10R1.113 NC1CCCC(C(=O)O)C1 Amb32664151 [0,0,0,1,1,0|1,0,1]=4 2484 B10R1.113 NC1CCCC(C(=O)O)C1 Amb33545486 [0,0,0,1,1,0|1,0,1]=4 2485 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 Amb10873166 [0,0,0,1,1,0|1,0,1]=4 2486 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 Amb25989341 [0,0,0,1,1,0|1,0,1]=4 2487 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 Amb20241308 [0,0,0,1,1,0|1,0,1]=4 2488 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 Amb32643943 [0,0,0,1,1,0|1,0,1]=4 2489 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 Amb20241307 [0,0,0,1,1,0|1,0,1]=4 2490 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 Amb23439976 [0,0,0,1,1,0|1,0,1]=4 2491 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 Amb22746829 [0,0,0,1,1,0|1,0,1]=4 2492 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 Amb23439848 [0,0,0,1,1,0|1,0,1]=4 2493 B10R1.113 O=C(O)C1CCCC(F)C1 Amb26004039 [0,0,0,1,1,0|1,0,1]=4 2494 B10R1.113 O=C(O)C1CCCC(O)C1 Amb33544783 [0,0,0,1,1,0|0,0,2]=4 2495 B10R1.113 O=C(O)C1CCCC(S)C1 Amb32788453 [0,0,0,1,1,0|0,1,1]=4 2496 B10R1.113 O=C(O)C1CS(=O)CCN1 Amb26024462 [0,0,0,1,1,0|2,0,0]=4 2497 B10R1.113 O=C(O)C1CS(=O)CCN1 Amb33038317 [0,0,0,1,1,0|2,0,0]=4 2498 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 Amb22899464 [0,0,0,1,1,0|0,0,2]=4 2499 B10R1.113 O=C(O)[C@@H]1CCC[C@H](Br)C1 Amb28053594 [0,0,0,1,1,0|1,0,1]=4 2500 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 Amb28059041 [0,0,0,1,1,0|0,0,2]=4 2501 B10R1.113 O=C(O)[C@@H]1CS(=O)CCN1 Amb27444621 [0,0,0,1,1,0|2,0,0]=4 2502 B10R1.113 O=C(O)[C@H]1CCC[C@@H](Cl)C1 Amb28436868 [0,0,0,1,1,0|1,0,1]=4 2503 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 Amb22899465 [0,0,0,1,1,0|0,0,2]=4 2504 B10R1.113 O=C(O)[C@H]1CCC[C@H](Cl)C1 Amb28385610 [0,0,0,1,1,0|1,0,1]=4 2505 B10R1.113 O=C1C=C(C(=O)O)CCC1 Amb10789564 [0,0,0,1,1,0|0,0,2]=4 2506 B10R1.113 O=C1C=CCC(C(=O)O)C1 Amb18643491 [0,0,0,1,1,0|0,0,2]=4 2507 B10R1.113 O=C1CC(C(=O)O)CCN1 Amb33531218 [0,0,0,1,1,0|1,0,0]=3 2508 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb22546429 [0,0,0,1,1,0|2,0,0]=4 2509 B10R1.113 O=C1CC(C(=O)O)CNN1 Amb28144294 [0,0,0,1,1,0|2,0,0]=4 2510 B10R1.113 O=C1CCC=C(C(=O)O)C1 Amb2699959 [0,0,0,1,1,0|0,0,2]=4 2511 B10R1.113 O=C1CCCC(C(=O)O)C1 Amb6305244 [0,0,0,1,1,0|0,0,0]=2 2512 B10R1.113 O=C1CCCC(C(=O)O)N1 Amb2697230 [0,0,0,1,1,0|1,0,0]=3 2513 B10R1.113 O=C1CCCC(C(=O)O)O1 Amb27969173 [0,0,0,1,1,0|1,0,0]=3 2514 B10R1.113 O=C1CCCC([N+](=O)[O-])C1 Amb28052380 [0,0,0,1,1,0|1,0,1]=4 2515 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 Amb28050152 [0,0,0,1,1,0|0,0,0]=2 2516 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 Amb10576327 [0,0,0,1,1,0|1,0,0]=3 2517 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 Amb8631220 [0,0,0,1,1,0|1,0,0]=3 2518 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889088 [0,0,0,1,1,0|1,0,0]=3 2519 B10R1.113 O=C1CCNC(C(=O)O)C1 Amb13889089 [0,0,0,1,1,0|1,0,0]=3 2520 B10R1.113 O=C1CCN[C@@H](C(=O)O)C1 Amb27977165 [0,0,0,1,1,0|1,0,0]=3 2521 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb13889084 [0,0,0,1,1,0|1,0,0]=3 2522 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 Amb2699956 [0,0,0,1,1,0|1,0,0]=3 2523 B10R1.113 O=C1CCOC(C(=O)O)C1 Amb22496784 [0,0,0,1,1,0|1,0,0]=3 2524 B10R1.113 O=C1CNCC(C(=O)O)C1 Amb27244770 [0,0,0,1,1,0|1,0,0]=3 2525 B10R1.113 O=C1CNC[C@H](C(=O)O)N1 Amb27398104 [0,0,0,1,1,0|2,0,0]=4 2526 B10R1.113 O=C1COCC(C(=O)O)N1 Amb18862478 [0,0,0,1,1,0|2,0,0]=4 2527 B10R1.113 O=C1COCC(C(=O)O)O1 Amb27209316 [0,0,0,1,1,0|2,0,0]=4 2528 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 Amb27164013 [0,0,0,1,1,0|2,0,0]=4 2529 B10R1.113 O=C1CSCC(C(=O)O)N1 Amb2693036 [0,0,0,1,1,0|2,0,0]=4 2530 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 Amb26516534 [0,0,0,1,1,0|2,0,0]=4 2531 B10R1.113 O=C1CSC[C@H](C(=O)O)N1 Amb27667984 [0,0,0,1,1,0|2,0,0]=4 2532 B10R1.113 O=C1NC(C(=O)O)CCO1 Amb28121893 [0,0,0,1,1,0|2,0,0]=4 2533 B10R1.113 O=C1NC(C(=O)O)CCS1 Amb28342373 [0,0,0,1,1,0|2,0,0]=4 2534 B10R1.140 CCNC(=O)C1CC(=O)C1 Amb27650010 [0,0,0,1,1,0|2,0,0]=4 2535 B10R1.140 CCOC(=O)C1CC(=O)C1 Amb19958420 [0,0,0,1,1,0|2,0,0]=4 2536 B10R1.140 CCOC(=O)C1CC(=O)N1 Amb27170656 [0,0,0,1,1,0|2,0,0]=4 2537 B10R1.140 CCOC(=O)C1CC(=O)O1 Amb27758789 [0,0,0,1,1,0|1,0,0]=3 2538 B10R1.140 CCOC(=O)[C@@H]1CC(=O)O1 Amb26494205 [0,0,0,1,1,0|1,0,0]=3 2539 B10R1.140 CCOC(=O)[C@H]1CC(=O)O1 Amb26479677 [0,0,0,1,1,0|1,0,0]=3 2540 B10R1.211 CC(=O)CCC(=O)C1CC1 Amb25983899 [0,0,0,1,1,0|1,0,0]=3 2541 B10R1.211 CC(=O)OCC(=O)C1CC1 Amb24424932 [0,0,0,1,1,0|2,0,0]=4 2542 B10R1.211 CC(CCC(=O)O)C1CC1 Amb26537671 [0,0,0,1,1,0|1,0,1]=4 2543 B10R1.211 CN(CCC(=O)O)C1CC1 Amb8892572 [0,0,0,1,1,0|2,0,0]=4 2544 B10R1.211 C\C(=C\CC(=O)O)C1CC1 Amb31161547 [0,0,0,1,1,0|1,0,1]=4 2545 B10R1.211 NC(=O)CNC(=O)C1CC1 Amb17231940 [0,0,0,1,1,0|2,0,0]=4 2546 B10R1.211 NC(CCC(=O)O)C1CC1 Amb25824611 [0,0,0,1,1,0|1,0,1]=4 2547 B10R1.211 O=C(CC[N+](=O)[O-])C1CC1 Amb28318877 [0,0,0,1,1,0|1,0,1]=4 2548 B10R1.211 O=C(O)CCC(O)C1CC1 Amb33036256 [0,0,0,1,1,0|0,0,2]=4 2549 B10R1.211 O=C(O)CCS(=O)C1CC1 Amb27228180 [0,0,0,1,1,0|1,0,0]=3 2550 B10R1.211 O=C(O)CNC(=O)C1CC1 Amb1116093 [0,0,0,1,1,0|1,0,0]=3 2551 B10R1.211 O=C(O)CNC(=O)C1CS1 Amb25288186 [0,0,0,1,1,0|2,0,0]=4 2552 B10R1.211 O=C(O)\C=C\C(=O)C1CC1 Amb27975782 [0,0,0,1,1,0|0,0,2]=4 2553 B10R1.330 CC1CC(=O)NCC(=O)N1 Amb27631757 [0,0,0,1,1,0|2,0,0]=4 2554 B10R1.353 O=C(O)CCC1(F)CCC1 Amb27595211 [0,0,0,1,1,0|1,0,1]=4 2555 B10R1.353 O=C(O)CCC1(O)CCC1 Amb25041671 [0,0,0,1,1,0|0,0,2]=4 2556 B12R1.17 CCCC(=O)C1CCCC(=O)C1 Amb27264763 [0,0,0,1,0,1|1,0,0]=3 2557 B12R1.17 CCCC(=O)N1CCCC(O)C1 Amb9272431 [0,0,0,1,0,1|1,0,1]=4 2558 B12R1.17 CCCC(=O)N1CCOC(=O)N1 Amb33098971 [0,0,0,1,0,1|2,0,0]=4 2559 B12R1.17 CCCS(=O)C1CCCC(=O)C1 Amb27622604 [0,0,0,1,0,1|2,0,0]=4 2560 B12R1.17 CCCS(=O)N1CCCC(=O)C1 Amb28144955 [0,0,0,1,0,1|2,0,0]=4 2561 B12R1.17 CCNC(=O)C1CCCC(=O)C1 Amb28280779 [0,0,0,1,0,1|2,0,0]=4 2562 B12R1.17 CCNC(=O)C1CCCC(=O)N1 Amb28256631 [0,0,0,1,0,1|2,0,0]=4 2563 B12R1.17 CCNC(=O)C1CCNC(=O)C1 Amb28400491 [0,0,0,1,0,1|2,0,0]=4 2564 B12R1.17 CCNC(=O)N1CCCC(=O)C1 Amb27207181 [0,0,0,1,0,1|2,0,0]=4 2565 B12R1.17 CCOC(=O)C1=CC(=O)CCC1 Amb27659241 [0,0,0,1,0,1|2,0,0]=4 2566 B12R1.17 CCOC(=O)C1CC(=O)CCN1 Amb27265912 [0,0,0,1,0,1|2,0,0]=4 2567 B12R1.17 CCOC(=O)C1CC(=O)CCO1 Amb22001618 [0,0,0,1,0,1|2,0,0]=4 2568 B12R1.17 CCOC(=O)C1CCCC(=O)C1 Amb2781551 [0,0,0,1,0,1|2,0,0]=4 2569 B12R1.17 CCOC(=O)C1CCCC(=O)N1 Amb27244715 [0,0,0,1,0,1|2,0,0]=4 2570 B12R1.17 CCOC(=O)C1CCNC(=O)C1 Amb24066473 [0,0,0,1,0,1|2,0,0]=4 2571 B12R1.17 CCOC(=O)C1CNCC(=O)C1 Amb27786842 [0,0,0,1,0,1|2,0,0]=4 2572 B12R1.17 CCOC(=O)C1COCC(=O)C1 Amb27265444 [0,0,0,1,0,1|2,0,0]=4 2573 B12R1.17 CCOC(=O)C1NC(=O)CCS1 Amb27816523 [0,0,0,1,0,1|2,0,0]=4 2574 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCN1 Amb27876710 [0,0,0,1,0,1|2,0,0]=4 2575 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 Amb24532710 [0,0,0,1,0,1|2,0,0]=4 2576 B12R1.17 CCOC(=O)[C@@H]1CCCC(=O)C1 Amb34912816 [0,0,0,1,0,1|2,0,0]=4 2577 B12R1.17 CCOC(=O)[C@@H]1CCOC(=O)N1 Amb27770157 [0,0,0,1,0,1|2,0,0]=4 2578 B12R1.17 CCOC(=O)[C@H]1CC(=O)CCN1 Amb27403594 [0,0,0,1,0,1|2,0,0]=4 2579 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 Amb33806252 [0,0,0,1,0,1|2,0,0]=4 2580 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)N1 Amb28136516 [0,0,0,1,0,1|2,0,0]=4 2581 B12R1.31 CCNC(=O)CC1COC(=O)C1 Amb27479502 [0,0,0,1,0,1|2,0,0]=4 2582 B12R1.31 CCOC(=O)CC1CCC(=O)C1 Amb30867997 [0,0,0,1,0,1|2,0,0]=4 2583 B12R1.31 CCOC(=O)CC1CNC(=O)C1 Amb23598227 [0,0,0,1,0,1|2,0,0]=4 2584 B12R1.31 CCOC(=O)NC1CCC(=O)C1 Amb26911629 [0,0,0,1,0,1|2,0,0]=4 2585 B12R1.87 CCC1C(=O)NCCN1C(C)=O Amb28188401 [0,0,0,1,0,1|2,0,0]=4 2586 B12R1.87 CCC1C(=O)NCCN1C(N)=O Amb24687666 [0,0,0,1,0,1|2,0,0]=4 2587 B12R1.87 CCC1C(=O)NCCN1C(N)=O Amb30584890 [0,0,0,1,0,1|2,0,0]=4 2588 B12R1.87 CCC1C(O)CCNC1C(=O)O Amb27178053 [0,0,0,1,0,1|0,0,2]=4 2589 B12R1.87 CCN1C(=O)CCCC1C(=O)O Amb27791736 [0,0,0,1,0,1|1,0,0]=3 2590 B12R1.87 CCN1C(=O)COCC1C(=O)O Amb26481904 [0,0,0,1,0,1|1,0,0]=3 2591 B12R1.87 COC1C(=O)CCCC1C(=O)F Amb27827087 [0,0,0,1,0,1|2,0,0]=4 2592 B12R1.87 CO[C@@H]1C(=O)CCC[C@@H]1C(=O)F Amb27483142 [0,0,0,1,0,1|2,0,0]=4 2593 B12R1.87 CO[C@@H]1C(=O)CCC[C@@H]1C(=O)O Amb27881779 [0,0,0,1,0,1|1,0,0]=3 2594 B12R1.89 CCC1C(=O)NN=C1CC(=O)O Amb18825767 [0,0,0,1,0,1|1,0,1]=4 2595 B12R1.89 CCC1C(=O)OCC1CC(=O)O Amb25258337 [0,0,0,1,0,1|0,0,0]=2 2596 B12R1.89 CCN1C(=O)CCC1CC(=O)O Amb31289898 [0,0,0,1,0,1|1,0,0]=3 2597 B12R1.89 CC[C@@H]1C(=O)OC[C@@H]1CC(=O)O Amb27192122 [0,0,0,1,0,1|0,0,0]=2 2598 B12R1.130 CC(=O)NCCC1CCCC1=O Amb27793453 [0,0,0,1,0,1|1,0,0]=3 2599 B12R1.130 CC(=O)\C=C\CC1CCCC1=O Amb26927565 [0,0,0,1,0,1|1,0,1]=4 2600 B12R1.130 CC(C)=CCCC1CCCC1=O Amb30023716 [0,0,0,1,0,1|2,0,0]=4 2601 B12R1.130 CN1CCCC1CCCC(=O)O Amb33322235 [0,0,0,1,0,1|2,0,0]=4 2602 B12R1.130 CN1CCCC1COCC(=O)O Amb21861056 [0,0,0,1,0,1|2,0,0]=4 2603 B12R1.130 CN1CCCC1COCC(=O)O Amb32409791 [0,0,0,1,0,1|2,0,0]=4 2604 B12R1.130 CN1CCC[C@H]1COCC(=O)O Amb22224778 [0,0,0,1,0,1|2,0,0]=4 2605 B12R1.130 NC(=O)NCCN1CCCC1=O Amb29868871 [0,0,0,1,0,1|2,0,0]=4 2606 B12R1.130 O=C(O)CCCN1CCCC1=O Amb1130787 [0,0,0,1,0,1|0,0,0]=2 2607 B12R1.130 O=C(O)CCCN1CCOC1=O Amb6673444 [0,0,0,1,0,1|1,0,0]=3 2608 B12R1.130 O=C(O)CCSC1CCCC1=O Amb16230793 [0,0,0,1,0,1|0,0,0]=2 2609 B12R1.130 O=C(O)COCN1CCCC1=O Amb32946170 [0,0,0,1,0,1|1,0,0]=3 2610 B12R1.130 O=C(O)\C=C\CC1CCCC1=O Amb25772855 [0,0,0,1,0,1|0,0,1]=3 2611 B12R1.130 O=C(O)\C=C\CN1CCCC1=O Amb18988763 [0,0,0,1,0,1|0,0,2]=4 2612 B12R1.226 C=C(C)CCC1CCCC(=O)C1 Amb27847339 [0,0,0,1,0,1|2,0,0]=4 2613 B12R1.226 C=C(C)CCN1CCCC(=O)C1 Amb27792689 [0,0,0,1,0,1|2,0,0]=4 2614 B12R1.226 C=C1CCCN(CCC(N)=O)C1 Amb27660417 [0,0,0,1,0,1|2,0,0]=4 2615 B12R1.226 CC(=O)CCC1CCCC(=O)C1 Amb28202303 [0,0,0,1,0,1|1,0,0]=3 2616 B12R1.226 CC(=O)OCC1CCCC(=O)C1 Amb27177829 [0,0,0,1,0,1|1,0,0]=3 2617 B12R1.226 CC(C)=CCC1CCCC(=O)C1 Amb27871396 [0,0,0,1,0,1|2,0,0]=4 2618 B12R1.226 CC1CCCC(OCC(=O)O)C1 Amb7790070 [0,0,0,1,0,1|1,0,1]=4 2619 B12R1.226 CC1CCCN(CCC(=O)O)C1 Amb2721890 [0,0,0,1,0,1|1,0,1]=4 2620 B12R1.226 CC1CCCN(CCC(=O)O)C1 Amb8428143 [0,0,0,1,0,1|1,0,1]=4 2621 B12R1.226 CN1CCCC(CCC(=O)O)C1 Amb10607786 [0,0,0,1,0,1|2,0,0]=4 2622 B12R1.226 CN1CCCC(CCC(=O)O)C1 Amb22587003 [0,0,0,1,0,1|2,0,0]=4 2623 B12R1.226 CN1CCCC(NCC(=O)O)C1 Amb22224827 [0,0,0,1,0,1|2,0,0]=4 2624 B12R1.226 CN1CCCC(OCC(=O)O)C1 Amb6739941 [0,0,0,1,0,1|2,0,0]=4 2625 B12R1.226 CN1CCC[C@@H](NCC(=O)O)C1 Amb22224743 [0,0,0,1,0,1|2,0,0]=4 2626 B12R1.226 CN1CCC[C@@H](OCC(=O)O)C1 Amb22224744 [0,0,0,1,0,1|2,0,0]=4 2627 B12R1.226 CN1CCC[C@H](NCC(=O)O)C1 Amb22224776 [0,0,0,1,0,1|2,0,0]=4 2628 B12R1.226 CN1CCC[C@H](OCC(=O)O)C1 Amb22224777 [0,0,0,1,0,1|2,0,0]=4 2629 B12R1.226 CS(=O)CCC1CCCC(=O)C1 Amb28058651 [0,0,0,1,0,1|2,0,0]=4 2630 B12R1.226 CS(=O)CCN1CCCC(=O)C1 Amb28293199 [0,0,0,1,0,1|2,0,0]=4 2631 B12R1.226 C[C@@H]1CCC[C@@H](OCC(=O)O)C1 Amb27791265 [0,0,0,1,0,1|1,0,1]=4 2632 B12R1.226 NC1CCCC(CCC(=O)O)C1 Amb9805890 [0,0,0,1,0,1|1,0,1]=4 2633 B12R1.226 NC1CCCC(NCC(=O)O)C1 Amb27262074 [0,0,0,1,0,1|1,0,1]=4 2634 B12R1.226 NC1CCCC(OCC(=O)O)C1 Amb25340337 [0,0,0,1,0,1|1,0,1]=4 2635 B12R1.226 N[C@@H]1CCCN(CCC(=O)O)C1 Amb27846936 [0,0,0,1,0,1|1,0,1]=4 2636 B12R1.226 N[C@@H]1CCC[C@@H](CCC(=O)O)C1 Amb27657525 [0,0,0,1,0,1|1,0,1]=4 2637 B12R1.226 N[C@H]1CCC[C@H](CCC(=O)O)C1 Amb27881807 [0,0,0,1,0,1|1,0,1]=4 2638 B12R1.226 O=C(O)CCC1=CC(=O)CCC1 Amb27444607 [0,0,0,1,0,1|0,0,1]=3 2639 B12R1.226 O=C(O)CCC1CCCC(=O)C1 Amb18647388 [0,0,0,1,0,1|0,0,0]=2 2640 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Amb18825448 [0,0,0,1,0,1|0,0,0]=2 2641 B12R1.226 O=C(O)CCC1CCCC(O)O1 Amb27845405 [0,0,0,1,0,1|0,0,2]=4 2642 B12R1.226 O=C(O)CCN1CCC=C(Cl)C1 Amb35696201 [0,0,0,1,0,1|1,0,1]=4 2643 B12R1.226 O=C(O)CCN1CCC=C(F)C1 Amb27645507 [0,0,0,1,0,1|1,0,1]=4 2644 B12R1.226 O=C(O)CCN1CCCC(F)C1 Amb30028430 [0,0,0,1,0,1|1,0,1]=4 2645 B12R1.226 O=C(O)CCN1CCNC(=O)C1 Amb6615282 [0,0,0,1,0,1|1,0,0]=3 2646 B12R1.226 O=C(O)CNC1=CC(=O)CCC1 Amb4111151 [0,0,0,1,0,1|0,0,2]=4 2647 B12R1.226 O=C(O)\C=C\C1CCCC(=O)C1 Amb18646911 [0,0,0,1,0,1|0,0,1]=3 2648 B12R1.233 C=C(Br)CN1CCC(=O)CC1C Amb27655059 [0,0,0,1,0,1|2,0,0]=4 2649 B12R1.233 C=C(C)CN1CCC(=O)CC1C Amb27869797 [0,0,0,1,0,1|2,0,0]=4 2650 B12R1.233 CC(=O)N[C@H]1CCC(=O)O[C@@H]1C Amb27493428 [0,0,0,1,0,1|2,0,0]=4 2651 B12R1.233 CC1=CCC(CC(=O)O)C(O)C1 Amb27873275 [0,0,0,1,0,1|2,0,0]=4 2652 B12R1.233 CC1=CC[C@H](CC(=O)O)[C@@H](O)C1 Amb27792491 [0,0,0,1,0,1|2,0,0]=4 2653 B12R1.233 CC1CN(C)CCC1CC(=O)O Amb24570830 [0,0,0,1,0,1|2,0,0]=4 2654 B12R1.233 CC1CS(=O)CCN1CC(N)=O Amb28349783 [0,0,0,1,0,1|2,0,0]=4 2655 B12R1.233 C[C@@H]1NC(=O)CC[C@H]1CC(=O)O Amb18198652 [0,0,0,1,0,1|1,0,0]=3 2656 B12R1.255 O=C(O)CCCCC1CCCC1 Amb33229242 [0,0,0,1,0,1|1,0,1]=4 2657 B12R1.255 O=C(O)CCCCN1CCCC1 Amb33552798 [0,0,0,1,0,1|2,0,0]=4 2658 B12R1.255 O=C(O)CCCCN1CCCC1 Amb7783148 [0,0,0,1,0,1|2,0,0]=4 2659 B12R1.255 O=C(O)CCCNC1=NCCC1 Amb8559049 [0,0,0,1,0,1|1,0,0]=3 2660 B12R1.255 O=C(O)CCCNC1=NCCN1 Amb2721889 [0,0,0,1,0,1|2,0,0]=4 2661 B12R1.255 O=C(O)CCCNC1=NCCS1 Amb1286359 [0,0,0,1,0,1|1,1,0]=4 2662 B12R1.255 O=C(O)CCNCC1CCCO1 Amb7755703 [0,0,0,1,0,1|0,0,2]=4 2663 B12R1.255 O=C(O)CCOCC1CCCO1 Amb6274081 [0,0,0,1,0,1|0,0,2]=4 2664 B12R1.255 O=C(O)CCSCC1CCCO1 Amb9723634 [0,0,0,1,0,1|0,0,2]=4 2665 B12R1.255 O=C(O)CNCCN1CCCC1 Amb9325920 [0,0,0,1,0,1|2,0,0]=4 2666 B12R1.255 O=C(O)COCCC1CCCC1 Amb32954482 [0,0,0,1,0,1|1,0,1]=4 2667 B12R1.255 O=C(O)COCCN1CCCC1 Amb33474001 [0,0,0,1,0,1|2,0,0]=4 2668 B12R1.255 O=C(O)CSCCN1CCCC1 Amb13949167 [0,0,0,1,0,1|2,0,0]=4 2669 B12R1.255 O=C(O)CSCCN1CCCC1 Amb6745649 [0,0,0,1,0,1|2,0,0]=4 2670 B12R1.255 O=C([O-])CCC\[NH+]=C1/CCCN1 Amb22556300 [0,0,0,1,0,1|1,0,1]=4 2671 B12R1.279 CCCC1CC(C(=O)O)CCO1 Amb539060 [0,0,0,1,0,1|1,0,1]=4 2672 B12R1.279 CCCC1CCCC(C(=O)O)O1 Amb27805706 [0,0,0,1,0,1|0,0,2]=4 2673 B12R1.279 CCCC1CCNC(C(=O)O)O1 Amb33193999 [0,0,0,1,0,1|0,0,2]=4 2674 B12R1.279 CCCC1CCOC(C(=O)O)N1 Amb33193669 [0,0,0,1,0,1|1,0,1]=4 2675 B12R1.279 CCCC1CSCC(C(=O)O)N1 Amb27167439 [0,0,0,1,0,1|1,0,1]=4 2676 B12R1.279 CCCC1NC(C(=O)O)CCS1 Amb18969825 [0,0,0,1,0,1|1,0,1]=4 2677 B12R1.279 CCCN1CCCC(C(=O)O)C1 Amb2372122 [0,0,0,1,0,1|2,0,0]=4 2678 B12R1.279 CCCN1CCCC(C(=O)O)C1 Amb32758735 [0,0,0,1,0,1|2,0,0]=4 2679 B12R1.279 CCCN1CCSC(C(=O)O)C1 Amb29891950 [0,0,0,1,0,1|2,0,0]=4 2680 B12R1.317 CCCC(=O)C1CCCS1(=O)=O Amb30008662 [0,0,0,1,0,1|1,0,1]=4 2681 B12R1.467 CCOC(=O)CCC1CC(=O)C1 Amb33715612 [0,0,0,1,0,1|2,0,0]=4 2682 B12R1.861 CC(=O)CC[C@@H]1CC(=O)C[C@H]1C Amb27854615 [0,0,0,1,0,1|1,0,0]=3 2683 B12R1.861 CC(=O)CC[C@H]1CC(=O)C[C@H]1C Amb28247980 [0,0,0,1,0,1|1,0,0]=3 2684 B12R1.861 CC(=O)OCC1CC(=O)CC1C Amb27409637 [0,0,0,1,0,1|1,0,0]=3 2685 B12R1.861 CC(C)=CC[C@H]1CC(=O)C[C@H]1C Amb28285846 [0,0,0,1,0,1|2,0,0]=4 2686 B12R1.861 CC(O)CC[C@@H]1CC(=O)C[C@@H]1C Amb28131370 [0,0,0,1,0,1|1,0,1]=4 2687 B12R1.878 CC1CC(=O)NCCN1C(N)=O Amb27836464 [0,0,0,1,0,1|2,0,0]=4 2688 B12R1.1007 O=C1CC=CCC(=O)CCCC1 Amb27212018 [0,0,0,1,0,1|1,0,1]=4 2689 B12R1.1007 O=C1CCCCC(=O)OCCC1 Amb17594258 [0,0,0,1,0,1|0,0,0]=2 2690 B12R1.1007 O=C1CCCCC(=O)OCCO1 Amb25892017 [0,0,0,1,0,1|1,0,0]=3 2691 B12R1.1007 O=C1CCCCC(O)CCCC1 Amb4020519 [0,0,0,1,0,1|1,0,1]=4 2692 B12R1.1007 O=C1CCCCC(O)CCCO1 Amb27443581 [0,0,0,1,0,1|0,0,2]=4 2693 B12R1.1015 CC1=CCCC(C(=O)O)CCC1 Amb27841410 [0,0,0,1,0,1|1,0,0]=3 2694 B12R1.1015 NC1CCCC(C(=O)O)CCC1 Amb33347307 [0,0,0,1,0,1|1,0,1]=4 2695 B12R1.1015 O=C(O)C1CCCC(O)CCC1 Amb27487862 [0,0,0,1,0,1|0,0,2]=4 2696 B12R1.1020 CC1CCCC(CC(=O)O)CC1 Amb25150903 [0,0,0,1,0,1|1,0,1]=4 2697 B12R1.1020 CN1CCCC(CC(=O)O)CC1 Amb18198562 [0,0,0,1,0,1|2,0,0]=4 2698 B12R1.1020 CN1CCCC(CC(=O)O)CC1 Amb33483549 [0,0,0,1,0,1|2,0,0]=4 2699 B12R1.1020 CN1CCCN(CC(=O)O)CC1 Amb22586956 [0,0,0,1,0,1|2,0,0]=4 2700 B12R1.1020 CN1CCCN(CC(=O)O)CC1 Amb6653265 [0,0,0,1,0,1|2,0,0]=4 2701 B12R1.1020 NC(=O)CN1CCCS(=O)CC1 Amb27250807 [0,0,0,1,0,1|2,0,0]=4 2702 B12R1.1356 CC(CCCCC(=O)O)C1CC1 Amb33227087 [0,0,0,1,0,1|1,0,1]=4 2703 B12R1.1356 O=C(O)CCCNC(=O)C1CC1 Amb1120072 [0,0,0,1,0,1|0,0,0]=2 2704 B12R1.1560 CCOC(=O)C1CC1OC(C)=O Amb22832086 [0,0,0,1,0,1|2,0,0]=4 2705 B12R1.1584 CCCC(=O)N1CCC1C(N)=O Amb33251172 [0,0,0,1,0,1|1,0,0]=3 2706 B12R1.1584 CCNC(=O)C1CCC1C(=O)O Amb27220035 [0,0,0,1,0,1|1,0,0]=3 2707 B12R1.1584 CCNC(=O)N1CCC1C(N)=O Amb33251999 [0,0,0,1,0,1|2,0,0]=4 2708 B12R1.1584 CCNC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27811129 [0,0,0,1,0,1|1,0,0]=3 2709 B12R1.1584 CCOC(=O)C1CCC1C(=O)O Amb32753545 [0,0,0,1,0,1|1,0,0]=3 2710 B12R1.1584 CCOC(=O)N1CCC1C(N)=O Amb33251176 [0,0,0,1,0,1|2,0,0]=4 2711 B12R1.1584 CCOC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb32683495 [0,0,0,1,0,1|1,0,0]=3 2712 B12R1.1584 CCOC(=O)[C@@H]1CC[C@H]1C(=O)O Amb34151641 [0,0,0,1,0,1|1,0,0]=3 2713 B12R1.1584 CNCC(=O)N1CCC1C(N)=O Amb33251200 [0,0,0,1,0,1|2,0,0]=4 2714 B12R1.1584 COCC(=O)N1CCC1C(N)=O Amb33251175 [0,0,0,1,0,1|2,0,0]=4 2715 B12R1.1584 NC(=O)C1CCN1C(=O)CCBr Amb33250983 [0,0,0,1,0,1|2,0,0]=4 2716 B12R1.1584 NC(=O)C1CCN1C(=O)CCCl Amb33250980 [0,0,0,1,0,1|2,0,0]=4 2717 B12R1.1584 NC(=O)C1CCN1C(=O)CCS Amb33251987 [0,0,0,1,0,1|2,0,0]=4 2718 B12R1.1584 NCCC(=O)N1CCC1C(N)=O Amb33251199 [0,0,0,1,0,1|2,0,0]=4 2719 B12R1.1929 COC1CC(=O)CCCCC1=O Amb28461166 [0,0,0,1,0,1|2,0,0]=4 2720 B12R1.66 CCN1CC(CC(=O)O)OC1=O Amb18198111 [0,1,0,1,0,0|2,0,0]=4 2721 B12R1.66 CCN1N=C(CC(=O)O)CC1=O Amb18975285 [0,1,0,1,0,0|1,0,1]=4 2722 B12R1.101 C=C1CC(C)CC(CC(C)=O)C1 Amb28202131 [0,1,0,1,0,0|2,0,0]=4 2723 B12R1.101 CC(=O)CC1CC(=O)CC(C)N1 Amb27793060 [0,1,0,1,0,0|1,0,0]=3 2724 B12R1.101 CC(=O)C[C@@H]1CC(=O)C[C@H](C)N1 Amb27967815 [0,1,0,1,0,0|1,0,0]=3 2725 B12R1.101 CC(=O)O[C@H]1CC(=O)C[C@@H](O)C1 Amb27211925 [0,1,0,1,0,0|2,0,0]=4 2726 B12R1.101 CC(O)C[C@@H]1CC(=O)C[C@H](C)N1 Amb27633922 [0,1,0,1,0,0|1,0,1]=4 2727 B12R1.101 CC1CC(C)CC(CC(=O)O)C1 Amb26333136 [0,1,0,1,0,0|1,0,1]=4 2728 B12R1.101 CC1CN(CC(=O)O)CC(=O)N1 Amb25187596 [0,1,0,1,0,0|2,0,0]=4 2729 B12R1.101 O=C(O)CC1CC(=O)CC(=O)C1 Amb18825804 [0,1,0,1,0,0|0,0,1]=3 2730 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 Amb8010183 [0,1,0,1,0,0|1,0,1]=4 2731 B12R1.101 O=C(O)CC1CC(=O)OC(=O)C1 Amb27407056 [0,1,0,1,0,0|1,0,1]=4 2732 B12R1.144 CC(CC(=O)O)C1CCNC1=O Amb27403564 [0,1,0,1,0,0|1,0,0]=3 2733 B12R1.144 CC(CC(=O)O)N1CCCC1=O Amb9020508 [0,1,0,1,0,0|1,0,0]=3 2734 B12R1.144 C[C@@H]1CCC[C@H]1C(O)CC(=O)O Amb27783830 [0,1,0,1,0,0|1,0,1]=4 2735 B12R1.260 CC(CC(=O)O)CC1CCCC1 Amb33474814 [0,1,0,1,0,0|1,0,1]=4 2736 B12R1.260 NC(CC(=O)O)CC1CCCC1 Amb18825419 [0,1,0,1,0,0|1,0,1]=4 2737 B12R1.260 O=C(O)CC(O)C=C1CCCC1 Amb18647342 [0,1,0,1,0,0|1,0,1]=4 2738 B12R1.260 O=C(O)CC(O)CC1CCCC1 Amb32954885 [0,1,0,1,0,0|1,0,1]=4 2739 B12R1.260 O=C(O)C[C@@H](O)CC1CCCC1 Amb33378873 [0,1,0,1,0,0|1,0,1]=4 2740 B12R1.260 O=C(O)C[C@H](O)CC1CCCC1 Amb33378874 [0,1,0,1,0,0|1,0,1]=4 2741 B12R1.277 CCCN1CC(C)C(C(=O)O)C1 Amb27812343 [0,1,0,1,0,0|2,0,0]=4 2742 B12R1.313 CCCC(=O)[C@H]1OC(=O)C[C@H]1C Amb27428324 [0,1,0,1,0,0|0,0,0]=2 2743 B12R1.313 CCOC(=O)C1NC(=O)CC1O Amb28068827 [0,1,0,1,0,0|2,0,0]=4 2744 B12R1.313 CCOC(=O)[C@@H]1NC(=O)C[C@H]1C Amb27793407 [0,1,0,1,0,0|2,0,0]=4 2745 B12R1.313 CCOC(=O)[C@H]1NC(=O)C[C@@H]1O Amb25982134 [0,1,0,1,0,0|2,0,0]=4 2746 B12R1.874 CC(=O)C[C@H]1CCCCC(=O)C1 Amb28144126 [0,1,0,1,0,0|1,0,0]=3 2747 B12R1.874 CC(=O)NC1CCCNC(=O)C1 Amb27830044 [0,1,0,1,0,0|2,0,0]=4 2748 B12R1.874 NC(=O)CC1CCCCC(=O)N1 Amb27946597 [0,1,0,1,0,0|2,0,0]=4 2749 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Amb26051590 [0,1,0,1,0,0|1,0,0]=3 2750 B12R1.874 O=C(O)CC1CCCNC(=O)C1 Amb25322054 [0,1,0,1,0,0|0,0,0]=2 2751 B12R1.1000 CC1CC(=O)NC(C)C1C(=O)O Amb18802188 [0,1,0,1,0,0|1,0,0]=3 2752 B12R1.1209 CC1CC(=O)NC(C)CC(=O)N1 Amb27867318 [0,1,0,1,0,0|2,0,0]=4 2753 B12R1.1209 C[C@H]1CC(=O)N[C@@H](C)CC(=O)N1 Amb28429537 [0,1,0,1,0,0|2,0,0]=4 2754 B12R1.1257 CC(=O)CC1(C)CCCC(=O)C1 Amb27177700 [0,1,0,1,0,0|1,0,0]=3 2755 B12R1.1257 CC(=O)OC1(C)CCCC(=O)C1 Amb27177961 [0,1,0,1,0,0|2,0,0]=4 2756 B12R1.1257 CC1(CC(=O)O)CCCC(=O)C1 Amb18647356 [0,1,0,1,0,0|0,0,0]=2 2757 B12R1.1257 CC1=CC(C)(CC(=O)O)CCC1 Amb28365553 [0,1,0,1,0,0|1,0,1]=4 2758 B12R1.1257 CC1CCCC(N)(CC(=O)O)C1 Amb27980737 [0,1,0,1,0,0|1,0,1]=4 2759 B12R1.1257 CC1CCCC(O)(CC(=O)O)C1 Amb18961448 [0,1,0,1,0,0|1,0,1]=4 2760 B12R1.1257 CN1CCCC(F)(CC(=O)O)C1 Amb27623604 [0,1,0,1,0,0|2,0,0]=4 2761 B12R1.1257 CN1CCCC(N)(CC(=O)O)C1 Amb32674344 [0,1,0,1,0,0|2,0,0]=4 2762 B12R1.1257 CN1CCCC(O)(CC(=O)O)C1 Amb18197977 [0,1,0,1,0,0|2,0,0]=4 2763 B12R1.1257 CN1CCCC(O)(CC(=O)O)C1 Amb33532444 [0,1,0,1,0,0|2,0,0]=4 2764 B12R1.1257 C[C@@]1(CC(=O)O)CCCC(=O)C1 Amb25144060 [0,1,0,1,0,0|0,0,0]=2 2765 B12R1.1257 NC1CCCC(N)(CC(=O)O)C1 Amb33255721 [0,1,0,1,0,0|1,0,1]=4 2766 B12R1.1811 CC(CC(=O)O)CC(C)C1CC1 Amb32728795 [0,1,0,1,0,0|1,0,1]=4 2767 B12R1.1811 CC(CC(=O)O)CC(N)C1CC1 Amb32669802 [0,1,0,1,0,0|1,0,1]=4 2768 B12R1.1811 CC(CC(N)CC(=O)O)C1CC1 Amb32728826 [0,1,0,1,0,0|1,0,1]=4 2769 B12R1.1811 CC(CC(O)CC(=O)O)C1CC1 Amb32728632 [0,1,0,1,0,0|1,0,1]=4 2770 B12R1.1811 CC(C[C@@H](O)CC(=O)O)C1CC1 Amb32728631 [0,1,0,1,0,0|1,0,1]=4 2771 B12R1.1811 CC(C[C@H](O)CC(=O)O)C1CC1 Amb32728629 [0,1,0,1,0,0|1,0,1]=4 2772 B12R1.1888 CCC1NC(=O)CC(C)NC1=O Amb27867054 [0,1,0,1,0,0|2,0,0]=4 2773 B12R1.103 CC(C)CC(=O)N1CCC(=O)N1 Amb32721864 [0,1,0,1,0,0|2,0,0]=4 2774 B12R1.103 CC(C)CC(O)C1CCC(=O)O1 Amb27416995 [0,1,0,1,0,0|0,0,2]=4 2775 B12R1.103 CC(C)C[C@@H](O)[C@@H]1CCC(=O)O1 Amb27220216 [0,1,0,1,0,0|0,0,2]=4 2776 B12R1.103 CC(C)NC(=O)C1CCC(=O)N1 Amb27605807 [0,1,0,1,0,0|2,0,0]=4 2777 B12R1.103 CC(C)OC(=O)C1CCC(=O)C1 Amb24608666 [0,1,0,1,0,0|2,0,0]=4 2778 B12R1.103 CC(C)OC(=O)[C@@H]1CCC(=O)N1 Amb25277186 [0,1,0,1,0,0|2,0,0]=4 2779 B12R1.103 CC(C)OC(=O)[C@H]1CCC(=O)N1 Amb27620162 [0,1,0,1,0,0|2,0,0]=4 2780 B12R1.103 CC(O)CC(O)C1CCC(=O)O1 Amb28127892 [0,1,0,1,0,0|0,0,2]=4 2781 B12R1.103 C[C@@H](O)C[C@@H](O)[C@H]1CCC(=O)O1 Amb27457669 [0,1,0,1,0,0|0,0,2]=4 2782 B12R1.105 C[C@@H]1CCC(CCCC(=O)O)O1 Amb33224966 [0,1,0,1,0,0|0,0,2]=4 2783 B12R1.389 CC(C)CC1=N[C@@H](C(=O)O)CS1 Amb35637182 [0,1,0,1,0,0|2,0,0]=4 2784 B12R1.389 CC(C)CC1=N[C@H](C(=O)O)CS1 Amb35648203 [0,1,0,1,0,0|2,0,0]=4 2785 B12R1.389 CC(C)CN1CCC(C(=O)O)C1 Amb18302804 [0,1,0,1,0,0|2,0,0]=4 2786 B12R1.389 CC(C)CN1CCC(C(=O)O)C1 Amb20633731 [0,1,0,1,0,0|2,0,0]=4 2787 B12R1.498 CC(=O)N1C(=O)CCC1C(=O)O Amb17334836 [0,1,0,1,0,0|1,0,1]=4 2788 B12R1.498 CC(C)N1C(=O)CCC1C(=O)O Amb3484434 [0,1,0,1,0,0|1,0,0]=3 2789 B12R1.498 CC(C)N1C(=O)CC[C@@H]1C(=O)O Amb32675013 [0,1,0,1,0,0|1,0,0]=3 2790 B12R1.498 CC(C)N1C(=O)CC[C@H]1C(=O)O Amb25294494 [0,1,0,1,0,0|1,0,0]=3 2791 B12R1.498 CC(C)N1C(=O)OCC1C(=O)O Amb26502384 [0,1,0,1,0,0|2,0,0]=4 2792 B12R1.498 CC(C)[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18198642 [0,1,0,1,0,0|1,0,0]=3 2793 B12R1.852 CC(=O)CC1OC(=O)CC1(C)C Amb25993984 [0,1,0,1,0,0|2,0,0]=4 2794 B12R1.852 CC1(C)OC(=O)CC1CC(=O)O Amb539411 [0,1,0,1,0,0|1,0,0]=3 2795 B12R1.852 CC1=CC(C)(C)C(CC(=O)O)C1 Amb27231715 [0,1,0,1,0,0|1,0,1]=4 2796 B12R1.879 CC(C)C1NC(=O)CCNC1=O Amb27175681 [0,1,0,1,0,0|2,0,0]=4 2797 B12R1.1218 CC(=O)C1=CC(C)CC(=O)CC1 Amb27433159 [0,1,0,1,0,0|1,0,1]=4 2798 B12R1.1238 CC1CC1C(=O)NCCC(=O)O Amb1119322 [0,1,0,1,0,0|1,0,0]=3 2799 B12R1.1279 CC(F)C1C(=O)NC1CC(=O)O Amb28325960 [0,1,0,1,0,0|1,0,0]=3 2800 B12R1.1279 C[C@@H](O)[C@H]1C(=O)N[C@@H]1CC(=O)O Amb27444668 [0,1,0,1,0,0|1,0,0]=3 2801 B12R1.1280 CC(=O)N1CCC(=O)CC1(C)C Amb28369895 [0,1,0,1,0,0|2,0,0]=4 2802 B12R1.1280 CC1(C)CC(=O)C=CC1C(=O)O Amb27232869 [0,1,0,1,0,0|0,0,2]=4 2803 B12R1.1280 CC1(C)CC(=O)CCC1C(=O)O Amb21858486 [0,1,0,1,0,0|0,0,0]=2 2804 B12R1.1280 CC1(C)CC(=O)CC[C@@H]1C(=O)O Amb26399525 [0,1,0,1,0,0|0,0,0]=2 2805 B12R1.1280 CC1(C)CC(=O)NCC1C(=O)O Amb31242310 [0,1,0,1,0,0|1,0,0]=3 2806 B12R1.1280 CC1(C)OC(=O)CCC1C(=O)O Amb27865443 [0,1,0,1,0,0|1,0,0]=3 2807 B12R1.1280 CC1(C)SC(=O)CNC1C(=O)O Amb27984866 [0,1,0,1,0,0|2,0,0]=4 2808 B12R1.1280 CC1=CC(C)(C)[C@@H](C(=O)O)CC1 Amb27171651 [0,1,0,1,0,0|1,0,1]=4 2809 B12R1.1280 CC1CCC(C(=O)O)C(C)(C)C1 Amb28141999 [0,1,0,1,0,0|1,0,1]=4 2810 B12R1.1359 CN(CCCC(=O)O)CC1CC1 Amb19373696 [0,1,0,1,0,0|2,0,0]=4 2811 B12R1.1359 O=C(O)CCNC(=O)NC1CC1 Amb1130693 [0,1,0,1,0,0|1,0,0]=3 2812 B12R1.1359 O=C(O)CSCC(=O)NC1CC1 Amb1129681 [0,1,0,1,0,0|1,0,0]=3 2813 B12R1.1821 CC1(C)CCCC(CC(=O)O)C1 Amb33546123 [0,1,0,1,0,0|1,0,1]=4 2814 B12R1.1821 CC1(F)CCCC(CC(=O)O)C1 Amb27429076 [0,1,0,1,0,0|1,0,1]=4 2815 B12R1.1821 O=C(O)CC1CCCC(F)(F)C1 Amb26373444 [0,1,0,1,0,0|1,0,1]=4 2816 B12R1.1821 O=C(O)CC1CCCS(=O)(=O)C1 Amb18190688 [0,1,0,1,0,0|1,0,0]=3 2817 B12R1.1821 O=C(O)CC1CS(=O)(=O)CCN1 Amb20667791 [0,1,0,1,0,0|2,0,0]=4 2818 B12R1.1821 O=C(O)CC1CS(=O)(=O)CCN1 Amb22157222 [0,1,0,1,0,0|2,0,0]=4 2819 B12R1.1821 O=C(O)C[C@@H]1CCCC(F)(F)C1 Amb34912970 [0,1,0,1,0,0|1,0,1]=4 2820 B12R1.1821 O=C(O)C[C@H]1CCCC(F)(F)C1 Amb34912972 [0,1,0,1,0,0|1,0,1]=4 2821 B12R1.2677 CC(C)NC(=O)C1CC1C(=O)O Amb18289000 [0,1,0,1,0,0|1,0,0]=3 2822 B12R1.2677 CC(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb27780671 [0,1,0,1,0,0|1,0,0]=3 2823 B12R1.2677 CC(C)NC(=O)[C@@H]1C[C@H]1C(=O)O Amb33192487 [0,1,0,1,0,0|1,0,0]=3 2824 B12R1.2863 CC1(C)CC(=O)CCCC(=O)N1 Amb27879464 [0,1,0,1,0,0|1,0,0]=3 2825 B12R1.2863 CC1(C)OC(=O)CCCC(=O)O1 Amb16224856 [0,1,0,1,0,0|1,0,0]=3 2826 B12R1.81 N#CN1CCCC1CCC(=O)O Amb29870342 [0,1,0,1,0,0|2,0,0]=4 2827 B12R1.81 O=C(O)CCC1CCC\C1=N/O Amb27233661 [0,1,0,1,0,0|0,0,1]=3 2828 B12R1.113 CCCC1CCC(C(=O)O)CC1 Amb2413202 [0,1,0,1,0,0|1,0,1]=4 2829 B12R1.113 CCCC1CCC(C(=O)O)CN1 Amb27405173 [0,1,0,1,0,0|1,0,1]=4 2830 B12R1.113 CCCN1CCC(C(=O)O)CC1 Amb2372119 [0,1,0,1,0,0|2,0,0]=4 2831 B12R1.113 CCCN1CCC(C(=O)O)CC1 Amb6892192 [0,1,0,1,0,0|2,0,0]=4 2832 B12R1.113 CCC[C@H]1CC[C@H](C(=O)O)CC1 Amb3939894 [0,1,0,1,0,0|1,0,1]=4 2833 B12R1.184 CCCN1CCC(C(=O)O)C1=O Amb5754934 [0,1,0,1,0,0|1,0,0]=3 2834 B12R1.184 CCCN1CCC(C(=O)O)C1C Amb26517737 [0,1,0,1,0,0|2,0,0]=4 2835 B12R1.184 CCC[C@@H]1CC[C@@H](C(=O)O)N1C Amb28458565 [0,1,0,1,0,0|1,0,1]=4 2836 B12R1.252 O=C(O)CCCC1=CCC=CC1 Amb6295892 [0,1,0,1,0,0|1,0,1]=4 2837 B12R1.252 O=C(O)CCCC1=COCCC1 Amb33424245 [0,1,0,1,0,0|0,0,1]=3 2838 B12R1.252 O=C(O)CCCC1CCCCC1 Amb4007236 [0,1,0,1,0,0|1,0,1]=4 2839 B12R1.252 O=C(O)CCCC1CCCCN1 Amb1101084 [0,1,0,1,0,0|1,0,1]=4 2840 B12R1.252 O=C(O)CCCC1CCCCN1 Amb22284114 [0,1,0,1,0,0|1,0,1]=4 2841 B12R1.252 O=C(O)CCCC1CCCCO1 Amb33377395 [0,1,0,1,0,0|0,0,2]=4 2842 B12R1.252 O=C(O)CCCC1CCCOC1 Amb33358265 [0,1,0,1,0,0|0,0,2]=4 2843 B12R1.252 O=C(O)CCCC1CCCSC1 Amb33079061 [0,1,0,1,0,0|0,1,1]=4 2844 B12R1.252 O=C(O)CCCC1CCNCC1 Amb1101085 [0,1,0,1,0,0|1,0,1]=4 2845 B12R1.252 O=C(O)CCCC1CCNCC1 Amb2720095 [0,1,0,1,0,0|1,0,1]=4 2846 B12R1.252 O=C(O)CCCC1CCOCC1 Amb28555790 [0,1,0,1,0,0|1,0,1]=4 2847 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5718374 [0,1,0,1,0,0|2,0,0]=4 2848 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5762298 [0,1,0,1,0,0|2,0,0]=4 2849 B12R1.252 O=C(O)CCCN1CCNCC1 Amb17479003 [0,1,0,1,0,0|2,0,0]=4 2850 B12R1.252 O=C(O)CCCN1CCOCC1 Amb21954071 [0,1,0,1,0,0|2,0,0]=4 2851 B12R1.252 O=C(O)CCCN1CCOCC1 Amb5846623 [0,1,0,1,0,0|2,0,0]=4 2852 B12R1.252 O=C(O)CCNC1=NCCCC1 Amb10976585 [0,1,0,1,0,0|2,0,0]=4 2853 B12R1.252 O=C(O)CCNC1=NCCCN1 Amb27407709 [0,1,0,1,0,0|2,0,0]=4 2854 B12R1.438 CCN1CCCC(CC(=O)O)C1 Amb18300084 [0,1,0,1,0,0|2,0,0]=4 2855 B12R1.438 COC1CCCC(CC(=O)O)C1 Amb18647668 [0,1,0,1,0,0|0,0,2]=4 2856 B12R1.438 CSC1CCCC(CC(=O)O)C1 Amb27226249 [0,1,0,1,0,0|0,1,1]=4 2857 B12R1.438 N#CC1CCCC(CC(=O)O)C1 Amb18827225 [0,1,0,1,0,0|1,0,1]=4 2858 B12R1.438 N#CN1CCCC(CC(=O)O)C1 Amb30031682 [0,1,0,1,0,0|2,0,0]=4 2859 B12R1.438 O=CN1CCCC(CC(=O)O)C1 Amb18962859 [0,1,0,1,0,0|1,0,0]=3 2860 B12R1.452 CC1CC(CN)CCC1C(=O)O Amb27805918 [0,1,0,1,0,0|1,0,1]=4 2861 B12R1.452 CC1CN(C#N)CCC1C(=O)O Amb29870343 [0,1,0,1,0,0|2,0,0]=4 2862 B12R1.452 CCN1CCC(C(=O)O)C(C)C1 Amb28069134 [0,1,0,1,0,0|2,0,0]=4 2863 B12R1.452 C[C@@H]1C[C@@H](CN)CC[C@@H]1C(=O)O Amb27650538 [0,1,0,1,0,0|1,0,1]=4 2864 B12R1.622 CCC1C(C(=O)O)CCN1C#N Amb35603882 [0,1,0,1,0,0|2,0,0]=4 2865 B12R1.622 CCC1C(C(=O)O)CCN1C=O Amb35651166 [0,1,0,1,0,0|1,0,0]=3 2866 B12R1.622 CCC1C(C(=O)O)CCN1CC Amb35650814 [0,1,0,1,0,0|2,0,0]=4 2867 B12R1.1891 CCN1CCCC(C(=O)O)CC1 Amb25684159 [0,1,0,1,0,0|2,0,0]=4 2868 B12R1.2372 CCC1(CCCC(=O)O)CCC1 Amb33414129 [0,1,0,1,0,0|1,0,1]=4 2869 B12R1.16 CCCC(=O)C1CCC(C)OC1 Amb35732775 [0,1,0,1,0,0|1,0,1]=4 2870 B12R1.16 CCCC(=O)N1CCC(=O)CC1 Amb6257954 [0,1,0,1,0,0|2,0,0]=4 2871 B12R1.16 CCNC(=O)C1CCC(=O)CC1 Amb26026194 [0,1,0,1,0,0|2,0,0]=4 2872 B12R1.16 CCNC(=O)C1CCC(=O)NC1 Amb27784745 [0,1,0,1,0,0|2,0,0]=4 2873 B12R1.16 CCOC(=O)C1C=CC(=O)CC1 Amb24117007 [0,1,0,1,0,0|2,0,0]=4 2874 B12R1.16 CCOC(=O)C1CC=C(O)CC1 Amb27480807 [0,1,0,1,0,0|2,0,0]=4 2875 B12R1.16 CCOC(=O)C1CCC(=O)CC1 Amb2694667 [0,1,0,1,0,0|2,0,0]=4 2876 B12R1.16 CCOC(=O)C1CCC(=O)CO1 Amb23440291 [0,1,0,1,0,0|1,0,0]=3 2877 B12R1.16 CCOC(=O)C1CCC(=O)NC1 Amb19375122 [0,1,0,1,0,0|2,0,0]=4 2878 B12R1.16 CCOC(=O)C1CCC(=O)NN1 Amb26342995 [0,1,0,1,0,0|2,0,0]=4 2879 B12R1.16 COCC(=O)C1CCC(=O)CC1 Amb27861197 [0,1,0,1,0,0|2,0,0]=4 2880 B12R1.54 CC(CCC(=O)O)N1CCCC1 Amb13949052 [0,1,0,1,0,0|2,0,0]=4 2881 B12R1.54 CC(CCC(=O)O)N1CCCC1 Amb2785204 [0,1,0,1,0,0|2,0,0]=4 2882 B12R1.54 NC(CCC(=O)O)C1CCCC1 Amb33429958 [0,1,0,1,0,0|1,0,1]=4 2883 B12R1.54 NC(CCC(=O)O)C1CCCO1 Amb33318767 [0,1,0,1,0,0|0,0,2]=4 2884 B12R1.54 NC(CCC(=O)O)C1CCCS1 Amb33416244 [0,1,0,1,0,0|0,1,1]=4 2885 B12R1.125 C=C(C)CCC1CCCCC1=O Amb28381254 [0,1,0,1,0,0|2,0,0]=4 2886 B12R1.125 C=C1CCCCC1CCC(C)=O Amb27861159 [0,1,0,1,0,0|2,0,0]=4 2887 B12R1.125 C=C1CCCCC1CCC(N)=O Amb28054855 [0,1,0,1,0,0|2,0,0]=4 2888 B12R1.125 CC(=O)CCC1CCCNC1=O Amb18826001 [0,1,0,1,0,0|1,0,0]=3 2889 B12R1.125 CC(=O)CCN1CCCOC1=O Amb25935555 [0,1,0,1,0,0|2,0,0]=4 2890 B12R1.125 CC(=O)CCN1CCOCC1=O Amb28289067 [0,1,0,1,0,0|2,0,0]=4 2891 B12R1.125 CC(=O)CC[C@@H]1CCCCC1=O Amb28202304 [0,1,0,1,0,0|1,0,0]=3 2892 B12R1.125 CC(O)CCC1CCCNC1=O Amb27628873 [0,1,0,1,0,0|1,0,1]=4 2893 B12R1.125 CC(O)CCC1CNCCC1=O Amb27787980 [0,1,0,1,0,0|1,0,1]=4 2894 B12R1.125 CC(O)CCC1COCCC1=O Amb28197074 [0,1,0,1,0,0|1,0,1]=4 2895 B12R1.125 CC1CNCCC1CCC(=O)O Amb27858642 [0,1,0,1,0,0|1,0,1]=4 2896 B12R1.125 CN1CCCCC1CCC(=O)O Amb10607785 [0,1,0,1,0,0|2,0,0]=4 2897 B12R1.125 CN1CCCCC1CCC(=O)O Amb13949149 [0,1,0,1,0,0|2,0,0]=4 2898 B12R1.125 CN1CCCCC1CCC(=O)O Amb28555723 [0,1,0,1,0,0|2,0,0]=4 2899 B12R1.125 CS(=O)CCC1CCCCC1=O Amb28142474 [0,1,0,1,0,0|2,0,0]=4 2900 B12R1.125 CS(=O)CCC1COCCC1=O Amb27855640 [0,1,0,1,0,0|2,0,0]=4 2901 B12R1.125 NC1CCCCC1CCC(=O)O Amb28872362 [0,1,0,1,0,0|1,0,1]=4 2902 B12R1.125 NC1CCCCC1CCC(=O)O Amb6739962 [0,1,0,1,0,0|1,0,1]=4 2903 B12R1.125 O=C(Cl)CCN1CCCCC1=O Amb22741283 [0,1,0,1,0,0|2,0,0]=4 2904 B12R1.125 O=C(O)CCC1=CCCCC1=O Amb18646934 [0,1,0,1,0,0|0,0,1]=3 2905 B12R1.125 O=C(O)CCC1CCCCC1=O Amb2721886 [0,1,0,1,0,0|0,0,0]=2 2906 B12R1.125 O=C(O)CCC1CCCCC1F Amb27636457 [0,1,0,1,0,0|1,0,1]=4 2907 B12R1.125 O=C(O)CCC1CCCCC1O Amb27426758 [0,1,0,1,0,0|0,0,2]=4 2908 B12R1.125 O=C(O)CCC1CCNCC1F Amb27247564 [0,1,0,1,0,0|1,0,1]=4 2909 B12R1.125 O=C(O)CCC1CCOCC1=O Amb18198355 [0,1,0,1,0,0|0,0,0]=2 2910 B12R1.125 O=C(O)CCC1CCSCC1=O Amb18820771 [0,1,0,1,0,0|0,0,0]=2 2911 B12R1.125 O=C(O)CCC1COCCC1=O Amb18198354 [0,1,0,1,0,0|0,0,0]=2 2912 B12R1.125 O=C(O)CCC1CSCCC1=O Amb18820772 [0,1,0,1,0,0|0,0,0]=2 2913 B12R1.125 O=C(O)CCN1CCCCC1=O Amb6739919 [0,1,0,1,0,0|1,0,0]=3 2914 B12R1.125 O=C(O)CCN1CCCCC1=S Amb27392329 [0,1,0,1,0,0|1,1,0]=4 2915 B12R1.125 O=C(O)CCN1CCCOC1=O Amb18975906 [0,1,0,1,0,0|1,0,0]=3 2916 B12R1.125 O=C(O)CCN1CCNCC1=O Amb24394797 [0,1,0,1,0,0|1,0,0]=3 2917 B12R1.125 O=C(O)CCN1CCOCC1=O Amb18254563 [0,1,0,1,0,0|1,0,0]=3 2918 B12R1.125 O=C(O)CC[C@@H]1CCCC[C@@H]1O Amb27210572 [0,1,0,1,0,0|0,0,2]=4 2919 B12R1.125 O=C(O)CC[C@@H]1CCCSC1=O Amb27252135 [0,1,0,1,0,0|0,0,0]=2 2920 B12R1.125 O=C(O)CC[C@H]1CCCC[C@H]1O Amb27444151 [0,1,0,1,0,0|0,0,2]=4 2921 B12R1.125 O=C(O)CC[C@H]1NCCC[C@@H]1O Amb28244797 [0,1,0,1,0,0|0,0,2]=4 2922 B12R1.131 CC(=O)CCC1(C)CCCC1=O Amb27828866 [0,1,0,1,0,0|1,0,0]=3 2923 B12R1.131 CC(=O)CCC1(C)CCOC1=O Amb27177926 [0,1,0,1,0,0|2,0,0]=4 2924 B12R1.131 CC(=O)CC[C@]1(C)OCCC1=O Amb27177787 [0,1,0,1,0,0|2,0,0]=4 2925 B12R1.131 O=C(O)CCC1(O)CCOC1=O Amb28458296 [0,1,0,1,0,0|1,0,0]=3 2926 B12R1.131 O=C(O)CC[C@@]1(O)CCOC1=O Amb27816170 [0,1,0,1,0,0|1,0,0]=3 2927 B12R1.224 C=C(C)CC1CCCC(=O)C1F Amb28461194 [0,1,0,1,0,0|2,0,0]=4 2928 B12R1.224 CC(=O)CC1CCCC(=O)N1C Amb27948549 [0,1,0,1,0,0|2,0,0]=4 2929 B12R1.224 CC(=O)O[C@@H]1CCCC(=O)[C@H]1Cl Amb27192182 [0,1,0,1,0,0|2,0,0]=4 2930 B12R1.224 NC1CCCC(CC(=O)O)C1O Amb27605801 [0,1,0,1,0,0|1,0,1]=4 2931 B12R1.224 O=C(O)C[C@@H]1CCC=C(Cl)[C@H]1O Amb27781510 [0,1,0,1,0,0|1,0,1]=4 2932 B12R1.232 CC(=O)N1C[C@@H](C)C(=O)C[C@H]1C Amb28200012 [0,1,0,1,0,0|2,0,0]=4 2933 B12R1.232 CC1=C(C)C[C@@H](C(=O)O)[C@H](C)C1 Amb27419929 [0,1,0,1,0,0|1,0,1]=4 2934 B12R1.232 CC1CC(C(=O)O)C(C)CC1=O Amb27760513 [0,1,0,1,0,0|0,0,0]=2 2935 B12R1.854 CC1OC(=O)C(C)C1CC(=O)O Amb27210823 [0,1,0,1,0,0|1,0,0]=3 2936 B12R1.854 C[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC(=O)O Amb27205131 [0,1,0,1,0,0|1,0,0]=3 2937 B12R1.1044 CC1NC(=O)C1(C)CCC(=O)O Amb27792034 [0,1,0,1,0,0|1,0,0]=3 2938 B12R1.1044 C[C@@H]1NC(=O)[C@@]1(C)CCC(=O)O Amb27657579 [0,1,0,1,0,0|1,0,0]=3 2939 B12R1.1566 CCCN(C)C1CC(C(=O)O)C1 Amb33070120 [0,1,0,1,0,0|2,0,0]=4 2940 B12R1.1608 CCOC(=O)C1(C)CCC(=O)C1 Amb27211966 [0,1,0,1,0,0|2,0,0]=4 2941 B12R1.1608 CCOC(=O)C1(C)CCC(=O)N1 Amb24434911 [0,1,0,1,0,0|2,0,0]=4 2942 B12R1.1608 CCOC(=O)[C@@]1(C)CCC(=O)N1 Amb32676964 [0,1,0,1,0,0|2,0,0]=4 2943 B12R1.1611 CCOC(=O)C1(F)CC1C(=O)O Amb22886544 [0,1,0,1,0,0|1,0,0]=3 2944 B12R1.1812 CN(CCC(=O)O)C(=O)C1CC1 Amb17400344 [0,1,0,1,0,0|1,0,0]=3 2945 B12R1.1985 CCC1NC(=O)CCN(C)C1=O Amb26026021 [0,1,0,1,0,0|2,0,0]=4 2946 B12R1.829 NC1CS(=O)(=O)CCC1C(=O)O Amb18190083 [0,1,0,1,0,0|2,0,0]=4 2947 B12R1.829 O=C(O)C1CCS(=O)(=O)CC1F Amb28455791 [0,1,0,1,0,0|2,0,0]=4 2948 B12R1.829 O=C(O)C1CCS(=O)(=O)CC1O Amb18815177 [0,1,0,1,0,0|2,0,0]=4 2949 B12R1.844 CC1CC(C)(C)CC1CC(=O)O Amb24582393 [0,1,0,1,0,0|1,0,1]=4 2950 B12R1.924 CC(=O)CCC1CCCS1(=O)=O Amb35733097 [0,1,0,1,0,0|2,0,0]=4 2951 B12R1.924 O=C(O)CCC1CCCC1(F)F Amb24737082 [0,1,0,1,0,0|1,0,1]=4 2952 B12R1.924 O=C(O)CCC1CCCS1(=O)=O Amb35736001 [0,1,0,1,0,0|1,0,0]=3 2953 B12R1.924 O=C(O)CCN1CCCS1(=O)=O Amb6256133 [0,1,0,1,0,0|2,0,0]=4 2954 B12R1.1348 O=C(O)CCNS(=O)(=O)C1CC1 Amb10880061 [0,1,0,1,0,0|2,0,0]=4 2955 B12R1.3092 CC(=O)C1CCCS(=O)(=O)CC1 Amb35673029 [0,1,0,1,0,0|2,0,0]=4 2956 B12R1.3092 CC1(C)CCCC(C(=O)O)CC1 Amb26080282 [0,1,0,1,0,0|1,0,1]=4 2957 B12R1.3092 C[Si]1(C)CCCC(C(=O)O)CC1 Amb29837989 [0,1,0,1,0,0|1,1,0]=4 2958 B12R1.3092 O=C(O)C1CCCC(F)(F)CC1 Amb33620729 [0,1,0,1,0,0|1,0,1]=4 2959 B12R1.3092 O=C(O)C1CCCS(=O)(=O)CC1 Amb35691368 [0,1,0,1,0,0|1,0,0]=3 2960 B12R1.56 CCC1CC(C(=O)O)CCC1=O Amb18647384 [0,1,0,1,0,0|0,0,0]=2 2961 B12R1.56 CCN1CC(C(=O)O)CCC1=O Amb8503401 [0,1,0,1,0,0|1,0,0]=3 2962 B12R1.56 CCN1CC(C(=O)O)CNC1=O Amb26969946 [0,1,0,1,0,0|2,0,0]=4 2963 B12R1.56 CCN1CC(C(=O)O)NCC1=O Amb22496551 [0,1,0,1,0,0|2,0,0]=4 2964 B12R1.56 CCN1CC(C(=O)O)OCC1=O Amb27411421 [0,1,0,1,0,0|2,0,0]=4 2965 B12R1.56 CCN1N=C(C(=O)O)CCC1=O Amb9253485 [0,1,0,1,0,0|1,0,1]=4 2966 B12R1.145 C=C(CC1CCCC1=O)C(=O)O Amb27454670 [0,1,0,1,0,0|0,0,1]=3 2967 B12R1.145 C=C(CN1CCCC1=O)C(=O)O Amb28347252 [0,1,0,1,0,0|1,0,1]=4 2968 B12R1.145 CC(CC1CCCN1C)C(=O)O Amb33322233 [0,1,0,1,0,0|2,0,0]=4 2969 B12R1.145 CC(CN1CCNC1=O)C(=O)O Amb18994455 [0,1,0,1,0,0|2,0,0]=4 2970 B12R1.145 CC(NC1CCNC1=O)C(=O)O Amb35694006 [0,1,0,1,0,0|2,0,0]=4 2971 B12R1.145 CN1CCCC1CC(N)C(=O)O Amb25943956 [0,1,0,1,0,0|2,0,0]=4 2972 B12R1.145 CN1CCCC1CC(O)C(=O)O Amb33321406 [0,1,0,1,0,0|2,0,0]=4 2973 B12R1.145 CN1CCCC1C[C@@H](N)C(=O)O Amb24571359 [0,1,0,1,0,0|2,0,0]=4 2974 B12R1.145 CN1CCCC1C[C@H](N)C(=O)O Amb27266253 [0,1,0,1,0,0|2,0,0]=4 2975 B12R1.145 C[C@H](NC1CCOC1=O)C(=O)O Amb27876869 [0,1,0,1,0,0|2,0,0]=4 2976 B12R1.145 NC(=O)C(O)CN1CCCC1=O Amb28120991 [0,1,0,1,0,0|2,0,0]=4 2977 B12R1.145 N[C@@H](CC1CC=CC1=O)C(=O)O Amb27975228 [0,1,0,1,0,0|0,0,2]=4 2978 B12R1.145 N[C@@H](CC1CCCC1=O)C(=O)O Amb27484073 [0,1,0,1,0,0|0,0,0]=2 2979 B12R1.145 O=C(O)C(O)CN1CCCC1=O Amb27880786 [0,1,0,1,0,0|1,0,0]=3 2980 B12R1.145 O=C(O)C(O)CN1CCOC1=O Amb27950845 [0,1,0,1,0,0|2,0,0]=4 2981 B12R1.225 CC(=O)C(F)C1CCCC(=O)C1 Amb28074794 [0,1,0,1,0,0|1,0,0]=3 2982 B12R1.225 CC(C(=O)O)C1CCCC(N)C1 Amb27431725 [0,1,0,1,0,0|1,0,1]=4 2983 B12R1.225 CC(C(=O)O)C1CCCC(O)C1 Amb28348975 [0,1,0,1,0,0|0,0,2]=4 2984 B12R1.225 CC(C(=O)O)C1CCC[C@@H](C)C1 Amb27477787 [0,1,0,1,0,0|1,0,1]=4 2985 B12R1.225 CC(C(=O)O)N1CCCC(=O)O1 Amb28195213 [0,1,0,1,0,0|2,0,0]=4 2986 B12R1.225 CC1CCCC(C(C)C(=O)O)C1 Amb27475502 [0,1,0,1,0,0|1,0,1]=4 2987 B12R1.225 CC1CCCC(C(F)C(=O)O)C1 Amb26045759 [0,1,0,1,0,0|1,0,1]=4 2988 B12R1.225 CC1CCCC(C(N)C(=O)O)C1 Amb24271219 [0,1,0,1,0,0|1,0,1]=4 2989 B12R1.225 CC1CCCC([C@@H](N)C(=O)O)C1 Amb26025667 [0,1,0,1,0,0|1,0,1]=4 2990 B12R1.225 CC1CCCC([C@H](N)C(=O)O)C1 Amb26959883 [0,1,0,1,0,0|1,0,1]=4 2991 B12R1.225 CN1CCCC(C(N)C(=O)O)C1 Amb18825355 [0,1,0,1,0,0|2,0,0]=4 2992 B12R1.225 C[C@@H](C(=O)O)[C@@H]1CCCC(O)C1 Amb27634905 [0,1,0,1,0,0|0,0,2]=4 2993 B12R1.225 C[C@@H](C(=O)O)[C@@H]1CCC[C@H](O)C1 Amb27858828 [0,1,0,1,0,0|0,0,2]=4 2994 B12R1.225 NC(=O)C(N)C1CCCC(=O)C1 Amb24726940 [0,1,0,1,0,0|1,0,0]=3 2995 B12R1.225 NC(C(=O)O)C1CCCC(=O)C1 Amb25310755 [0,1,0,1,0,0|0,0,0]=2 2996 B12R1.225 N[C@@H](C(=O)O)C1CCCC(=O)C1 Amb26505072 [0,1,0,1,0,0|0,0,0]=2 2997 B12R1.225 N[C@H](C(=O)O)C1CCCC(=O)C1 Amb28244348 [0,1,0,1,0,0|0,0,0]=2 2998 B12R1.264 CC(CCC1CCCC1)C(=O)O Amb33359509 [0,1,0,1,0,0|1,0,1]=4 2999 B12R1.264 CC(CCC1CCCO1)C(=O)O Amb33359077 [0,1,0,1,0,0|0,0,2]=4 3000 B12R1.264 CC(CCC1CCCS1)C(=O)O Amb33416797 [0,1,0,1,0,0|0,1,1]=4 3001 B12R1.264 CC(CCN1CCCC1)C(=O)O Amb32685799 [0,1,0,1,0,0|2,0,0]=4 3002 B12R1.264 C[C@@H](CCC1CCCC1)C(=O)O Amb33744918 [0,1,0,1,0,0|1,0,1]=4 3003 B12R1.264 C[C@H](CCC1CCCC1)C(=O)O Amb33738125 [0,1,0,1,0,0|1,0,1]=4 3004 B12R1.264 NC(CCC1CCCC1)C(=O)O Amb23598234 [0,1,0,1,0,0|1,0,1]=4 3005 B12R1.264 NC(CCC1CCCO1)C(=O)O Amb33249594 [0,1,0,1,0,0|0,0,2]=4 3006 B12R1.264 NC(CCN1CCCC1)C(=O)O Amb19036758 [0,1,0,1,0,0|2,0,0]=4 3007 B12R1.264 N[C@@H](CCC1CCCC1)C(=O)O Amb33308916 [0,1,0,1,0,0|1,0,1]=4 3008 B12R1.264 N[C@@H](CCC1CCCO1)C(=O)O Amb33309238 [0,1,0,1,0,0|0,0,2]=4 3009 B12R1.264 N[C@@H](CCN1CCCC1)C(=O)O Amb32787856 [0,1,0,1,0,0|2,0,0]=4 3010 B12R1.264 N[C@H](CCC1CCCC1)C(=O)O Amb33309122 [0,1,0,1,0,0|1,0,1]=4 3011 B12R1.264 N[C@H](CCC1CCCO1)C(=O)O Amb33035296 [0,1,0,1,0,0|0,0,2]=4 3012 B12R1.264 N[C@H](CCN1CCCC1)C(=O)O Amb32698148 [0,1,0,1,0,0|2,0,0]=4 3013 B12R1.264 O=C(O)C(O)CCC1CCCC1 Amb33448612 [0,1,0,1,0,0|1,0,1]=4 3014 B12R1.264 O=C(O)C(O)CCN1CCCC1 Amb33474949 [0,1,0,1,0,0|2,0,0]=4 3015 B12R1.314 CCOC(=O)C1CC(=O)C(C)C1 Amb27836790 [0,1,0,1,0,0|2,0,0]=4 3016 B12R1.314 CCOC(=O)C1CC(C)C(=O)N1 Amb2695744 [0,1,0,1,0,0|2,0,0]=4 3017 B12R1.314 CCOC(=O)C1CC(F)C(=O)N1 Amb27876500 [0,1,0,1,0,0|2,0,0]=4 3018 B12R1.314 CCOC(=O)C1CC(N)C(=O)N1 Amb18647616 [0,1,0,1,0,0|2,0,0]=4 3019 B12R1.314 CCOC(=O)[C@@H]1CC(F)C(=O)N1 Amb24742685 [0,1,0,1,0,0|2,0,0]=4 3020 B12R1.314 CCOC(=O)[C@@H]1C[C@@H](O)C(=O)N1 Amb26027018 [0,1,0,1,0,0|2,0,0]=4 3021 B12R1.314 CCOC(=O)[C@@H]1C[C@H](C)C(=O)N1 Amb27780127 [0,1,0,1,0,0|2,0,0]=4 3022 B12R1.314 CCOC(=O)[C@H]1C[C@@H](C)C(=O)N1 Amb28204084 [0,1,0,1,0,0|2,0,0]=4 3023 B12R1.314 CCOC(=O)[C@H]1C[C@@H](O)C(=O)N1 Amb26655838 [0,1,0,1,0,0|2,0,0]=4 3024 B12R1.314 CCOC(=O)[C@H]1C[C@H](O)C(=O)O1 Amb28194273 [0,1,0,1,0,0|1,0,0]=3 3025 B12R1.702 CCC1C(=O)NC1C(C)C(=O)O Amb27858933 [0,1,0,1,0,0|1,0,0]=3 3026 B12R1.702 CS[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)O Amb27484140 [0,1,0,1,0,0|2,0,0]=4 3027 B12R1.744 CCC1C(=O)CCC1(C)C(=O)O Amb27955256 [0,1,0,1,0,0|0,0,0]=2 3028 B12R1.744 CCN1C(=O)CCC1(C)C(=O)O Amb28076760 [0,1,0,1,0,0|1,0,0]=3 3029 B12R1.864 CC1NC(=O)OC1C(N)C(=O)O Amb27403060 [0,1,0,1,0,0|2,0,0]=4 3030 B12R1.864 C[C@@H]1NC(=O)O[C@H]1[C@H](N)C(=O)O Amb27984835 [0,1,0,1,0,0|2,0,0]=4 3031 B12R1.864 C[C@H](C(=O)O)[C@@H]1CC(=O)C[C@H]1C Amb28245290 [0,1,0,1,0,0|0,0,0]=2 3032 B12R1.911 CC1CC(=O)CCC1(C)[N+](=O)[O-] Amb18825447 [0,1,0,1,0,0|1,0,1]=4 3033 B12R1.911 CC1CC(Cl)CCC1(C)C(=O)O Amb27828185 [0,1,0,1,0,0|1,0,1]=4 3034 B12R1.911 CC1CCC(C)(C(=O)O)C(C)C1 Amb32654892 [0,1,0,1,0,0|1,0,1]=4 3035 B12R1.911 CC1CCC(N)(C(=O)O)C(C)C1 Amb27877417 [0,1,0,1,0,0|1,0,1]=4 3036 B12R1.911 CC1CN(C)CCC1(O)C(=O)O Amb22751804 [0,1,0,1,0,0|2,0,0]=4 3037 B12R1.911 CC1CN(C)CC[C@]1(O)C(=O)O Amb27477964 [0,1,0,1,0,0|2,0,0]=4 3038 B12R1.1127 CCCC1CCC(C)(C(=O)O)O1 Amb27174959 [0,1,0,1,0,0|0,0,2]=4 3039 B12R1.1360 CC(CCC(C)C1CC1)C(=O)O Amb32728793 [0,1,0,1,0,0|1,0,1]=4 3040 B12R1.1360 CC(CCC(N)C(=O)O)C1CC1 Amb32728832 [0,1,0,1,0,0|1,0,1]=4 3041 B12R1.1360 CC(CCC(O)C(=O)O)C1CC1 Amb32728765 [0,1,0,1,0,0|1,0,1]=4 3042 B12R1.1360 CN(CC[C@@H](N)C(=O)O)C1CC1 Amb32698172 [0,1,0,1,0,0|2,0,0]=4 3043 B12R1.2200 NC(CCC1(O)CCC1)C(=O)O Amb33065907 [0,1,0,1,0,0|0,0,2]=4 3044 B12R1.2200 N[C@@H](CCC1(O)CCC1)C(=O)O Amb32937024 [0,1,0,1,0,0|0,0,2]=4 3045 B12R1.2200 N[C@H](CCC1(O)CCC1)C(=O)O Amb33308758 [0,1,0,1,0,0|0,0,2]=4 3046 B12R1.2869 CC1(C(=O)O)CCNC(=O)CC1 Amb23589781 [0,1,0,1,0,0|1,0,0]=3 3047 B12R1.2869 CC1CCCC(Cl)(C(=O)O)CC1 Amb33127980 [0,1,0,1,0,0|1,0,1]=4 3048 B12R1.2869 CC1CCCC(O)(C(=O)O)CC1 Amb27448996 [0,1,0,1,0,0|1,0,1]=4 3049 B12R1.2869 CN1CCCC(N)(C(=O)O)CC1 Amb27464142 [0,1,0,1,0,0|2,0,0]=4 3050 B12R1.2869 NC1(C(=O)O)CCCC(O)CC1 Amb28135388 [0,1,0,1,0,0|0,0,2]=4 3051 B12R1.19 CC(=O)OC1CCC(O)C(=O)C1 Amb27177565 [0,1,0,1,0,0|2,0,0]=4 3052 B12R1.19 CC1CCC(CC(=O)O)CC1=O Amb27392274 [0,1,0,1,0,0|0,0,0]=2 3053 B12R1.19 CC1CCC(CC(=O)O)CC1C Amb27870924 [0,1,0,1,0,0|1,0,1]=4 3054 B12R1.19 CN1CCC(CC(=O)O)CC1=O Amb27612973 [0,1,0,1,0,0|1,0,0]=3 3055 B12R1.19 CN1CCN(CC(=O)O)CC1=O Amb28872407 [0,1,0,1,0,0|2,0,0]=4 3056 B12R1.19 O=C(O)CC1C=C(Cl)C(Cl)CC1 Amb18131056 [0,1,0,1,0,0|1,0,1]=4 3057 B12R1.33 CCC(C)S(=O)C1CCC(=O)C1 Amb27951427 [0,1,0,1,0,0|2,0,0]=4 3058 B12R1.33 CCN(C)C(=O)C1CCC(=O)N1 Amb27651540 [0,1,0,1,0,0|2,0,0]=4 3059 B12R1.33 CCN(C)C(=O)[C@H]1CCC(=O)N1 Amb27810253 [0,1,0,1,0,0|2,0,0]=4 3060 B12R1.33 COC(C)C(=O)C1CCC(=O)C1 Amb27640198 [0,1,0,1,0,0|2,0,0]=4 3061 B12R1.359 CCC(C)C1=N[C@@H](C(=O)O)CS1 Amb35637191 [0,1,0,1,0,0|2,0,0]=4 3062 B12R1.359 CCC(C)C1=N[C@H](C(=O)O)CS1 Amb35648214 [0,1,0,1,0,0|2,0,0]=4 3063 B12R1.870 C=C(C)CCC1CCC(C)C1=O Amb27177934 [0,1,0,1,0,0|2,0,0]=4 3064 B12R1.870 CC(=O)CCC1CCN(C)C1=O Amb18826002 [0,1,0,1,0,0|2,0,0]=4 3065 B12R1.870 CC1CCN(CCC(=O)O)C1=O Amb24455754 [0,1,0,1,0,0|1,0,0]=3 3066 B12R1.870 CN1CCC(CCC(=O)O)C1=O Amb26883820 [0,1,0,1,0,0|1,0,0]=3 3067 B12R1.892 CC(=O)N1CCC(=O)C(C)CC1 Amb28198586 [0,1,0,1,0,0|2,0,0]=4 3068 B12R1.892 O=C1CCC(C(=O)O)CCC1Br Amb27615505 [0,1,0,1,0,0|0,0,0]=2 3069 B12R1.893 CC(=O)C1CCC(=O)C(C)C1C Amb26419539 [0,1,0,1,0,0|1,0,0]=3 3070 B12R1.893 CC1C(C(=O)O)CCC(Cl)C1Cl Amb28074138 [0,1,0,1,0,0|1,0,1]=4 3071 B12R1.893 CC1CCC(C(=O)O)C(C)C1C Amb27231760 [0,1,0,1,0,0|1,0,1]=4 3072 B12R1.893 CC1[C@@H](C(=O)O)CC[C@@H](Cl)[C@@H]1Cl Amb27849694 [0,1,0,1,0,0|1,0,1]=4 3073 B12R1.1070 CC1C(N)C(=O)N1OCC(=O)O Amb27878748 [0,1,0,1,0,0|2,0,0]=4 3074 B12R1.1211 CC1=C(C)CCCC(=O)CCC1 Amb27164714 [0,1,0,1,0,0|2,0,0]=4 3075 B12R1.1276 CC1C(CC(=O)O)CC(=O)N1C Amb28076975 [0,1,0,1,0,0|1,0,0]=3 3076 B12R1.1276 C[C@@H]1[C@@H](CC(=O)O)CC(=O)N1C Amb18198650 [0,1,0,1,0,0|1,0,0]=3 3077 B12R1.1276 O=C(O)CC1NC(=O)C(O)C1O Amb27658921 [0,1,0,1,0,0|2,0,0]=4 3078 B12R1.1276 O=C(O)CC1OC(=O)C(O)C1O Amb27596912 [0,1,0,1,0,0|2,0,0]=4 3079 B12R1.1276 O=C(O)C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb28457485 [0,1,0,1,0,0|2,0,0]=4 3080 B12R1.1357 O=C(O)CCCC(=O)C1CCC1 Amb6305212 [0,1,0,1,0,0|0,0,0]=2 3081 B12R1.1357 O=C(O)CCNC(=O)C1CCC1 Amb1121549 [0,1,0,1,0,0|1,0,0]=3 3082 B12R1.1658 CCC(=O)N1CCCC(=O)CC1 Amb27175994 [0,1,0,1,0,0|2,0,0]=4 3083 B12R1.1658 COC(=O)C1=CCC(=O)CCC1 Amb27409549 [0,1,0,1,0,0|0,0,2]=4 3084 B12R1.1658 COC(=O)C1=CCCC(=O)CC1 Amb27177987 [0,1,0,1,0,0|0,0,2]=4 3085 B12R1.1658 COC(=O)C1CCCC(=O)CC1 Amb22490237 [0,1,0,1,0,0|0,0,0]=2 3086 B12R1.1658 COC(=O)C1CCCC(N)CC1 Amb33299448 [0,1,0,1,0,0|1,0,1]=4 3087 B12R1.1658 COC(=O)C1CCCC(O)CC1 Amb27864207 [0,1,0,1,0,0|0,0,2]=4 3088 B12R1.1658 COC(=O)C1CCCN(C)CC1 Amb24753196 [0,1,0,1,0,0|2,0,0]=4 3089 B12R1.1658 COC(=O)C1CCNC(=O)CC1 Amb26993027 [0,1,0,1,0,0|1,0,0]=3 3090 B12R1.1658 COC(=O)N1CCCC(=O)CC1 Amb27177616 [0,1,0,1,0,0|1,0,0]=3 3091 B12R1.1658 COC(=O)N1CCOC(=O)CC1 Amb25375156 [0,1,0,1,0,0|2,0,0]=4 3092 B12R1.29 CCCNC(=O)C1CCC(=O)O1 Amb27833343 [0,1,0,1,0,0|0,0,0]=2 3093 B12R1.29 CCCNC(=O)C1CCC(C)O1 Amb28127047 [0,1,0,1,0,0|1,0,1]=4 3094 B12R1.29 CCCNC(=O)C1CNC(=O)C1 Amb27861721 [0,1,0,1,0,0|2,0,0]=4 3095 B12R1.29 CCCNC(=O)C1COC(=O)N1 Amb17025302 [0,1,0,1,0,0|2,0,0]=4 3096 B12R1.29 CCCNC(=O)N1CCC(=O)C1 Amb27216416 [0,1,0,1,0,0|2,0,0]=4 3097 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)N1 Amb25100829 [0,1,0,1,0,0|1,0,0]=3 3098 B12R1.29 COCCC(=O)N1CCC(=O)N1 Amb32721870 [0,1,0,1,0,0|2,0,0]=4 3099 B12R1.29 NCCNC(=O)[C@H]1CCC(=O)N1 Amb27799960 [0,1,0,1,0,0|2,0,0]=4 3100 B12R1.29 O=C1CCC(C(=O)NCCF)O1 Amb27751551 [0,1,0,1,0,0|1,0,0]=3 3101 B12R1.29 O=C1CCC(C(=O)NCCO)O1 Amb4061700 [0,1,0,1,0,0|1,0,0]=3 3102 B12R1.57 C=C(C)C1CCC(=O)CC1CO Amb27861461 [0,1,0,1,0,0|2,0,0]=4 3103 B12R1.57 CC(=O)C1CCC(=O)OC1CCl Amb27407094 [0,1,0,1,0,0|2,0,0]=4 3104 B12R1.57 CCC1CC(=O)CCC1C(=O)O Amb28127177 [0,1,0,1,0,0|0,0,0]=2 3105 B12R1.57 CCC1OC(=O)CCC1C(C)=O Amb27948573 [0,1,0,1,0,0|1,0,0]=3 3106 B12R1.57 CCN1CC(=O)CCC1C(=O)O Amb26539907 [0,1,0,1,0,0|0,0,0]=2 3107 B12R1.57 CCN1CC(C)=CCC1C(=O)O Amb9782788 [0,1,0,1,0,0|1,0,1]=4 3108 B12R1.57 COC1CC(=O)NCC1C(=O)O Amb33228639 [0,1,0,1,0,0|1,0,0]=3 3109 B12R1.57 O=C1CC[C@@H](C(=O)O)[C@H](CO)N1 Amb18198079 [0,1,0,1,0,0|1,0,0]=3 3110 B12R1.57 O=C1CC[C@H](C(=O)O)[C@@H](CO)N1 Amb27420234 [0,1,0,1,0,0|1,0,0]=3 3111 B12R1.65 C=CC1CC(=O)CC1CC(C)=O Amb27190795 [0,1,0,1,0,0|1,0,1]=4 3112 B12R1.65 CC[C@@H]1NC(=O)C[C@@H]1NC(C)=O Amb28384945 [0,1,0,1,0,0|2,0,0]=4 3113 B12R1.65 CC[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18198651 [0,1,0,1,0,0|0,0,0]=2 3114 B12R1.65 CC[C@@H]1OC(=O)C[C@@H]1NC(C)=O Amb27469694 [0,1,0,1,0,0|2,0,0]=4 3115 B12R1.65 O=C(O)C[C@H]1CC(=O)N[C@@H]1CO Amb27966825 [0,1,0,1,0,0|1,0,0]=3 3116 B12R1.127 C=C(C)CC1CC(=O)CCC1C Amb32865284 [0,1,0,1,0,0|2,0,0]=4 3117 B12R1.127 C=C(Cl)CC1CC(=O)CCC1C Amb32865424 [0,1,0,1,0,0|2,0,0]=4 3118 B12R1.127 CC(=O)NC1CC(=O)CCC1Cl Amb27602268 [0,1,0,1,0,0|2,0,0]=4 3119 B12R1.127 CC1CCC(=O)CC1CC(=O)O Amb26841119 [0,1,0,1,0,0|0,0,0]=2 3120 B12R1.127 CC1CCC(C)C(CC(=O)O)C1 Amb25793973 [0,1,0,1,0,0|1,0,1]=4 3121 B12R1.127 CC1CCC(N)C(CC(=O)O)C1 Amb25210909 [0,1,0,1,0,0|1,0,1]=4 3122 B12R1.127 CC1CCC(O)C(CC(=O)O)C1 Amb18198283 [0,1,0,1,0,0|1,0,1]=4 3123 B12R1.127 CN1CCC(F)C(CC(=O)O)C1 Amb27624603 [0,1,0,1,0,0|2,0,0]=4 3124 B12R1.127 CN1CCC(N)C(CC(=O)O)C1 Amb32863474 [0,1,0,1,0,0|2,0,0]=4 3125 B12R1.127 CN1CCC(O)C(CC(=O)O)C1 Amb18197942 [0,1,0,1,0,0|2,0,0]=4 3126 B12R1.127 CN1CCN(C)C(CC(=O)O)C1 Amb21953967 [0,1,0,1,0,0|2,0,0]=4 3127 B12R1.127 CN1CCN(C)C(CC(=O)O)C1 Amb9695690 [0,1,0,1,0,0|2,0,0]=4 3128 B12R1.127 O=C(O)CC1CC(=O)CCC1O Amb28343109 [0,1,0,1,0,0|0,0,0]=2 3129 B12R1.154 O=C1CCCC(=O)NCCCN1 Amb27770152 [0,1,0,1,0,0|1,0,0]=3 3130 B12R1.154 O=C1CCCC(O)CCCCO1 Amb27853898 [0,1,0,1,0,0|0,0,2]=4 3131 B12R1.154 O=C1CCOC(=O)CCCCN1 Amb28186602 [0,1,0,1,0,0|2,0,0]=4 3132 B12R1.154 O=C1CSCC(=O)NCCCN1 Amb27403103 [0,1,0,1,0,0|2,0,0]=4 3133 B12R1.337 CCCCN1CCC(C(=O)O)C1 Amb19036403 [0,1,0,1,0,0|2,0,0]=4 3134 B12R1.337 COCCN1CCC(C(=O)O)C1 Amb10607745 [0,1,0,1,0,0|2,0,0]=4 3135 B12R1.337 COCCN1CCC(C(=O)O)C1 Amb22586979 [0,1,0,1,0,0|2,0,0]=4 3136 B12R1.348 CCCCC1=CCC(=O)CCC1 Amb27175982 [0,1,0,1,0,0|2,0,0]=4 3137 B12R1.489 C#CCN1C(=O)CCC1C(=O)O Amb18966710 [0,1,0,1,0,0|0,0,2]=4 3138 B12R1.489 C#CCN1C(=O)CC[C@@H]1C(=O)O Amb32672117 [0,1,0,1,0,0|0,0,2]=4 3139 B12R1.489 C=CCN1C(=O)CCC1C(=O)O Amb18302702 [0,1,0,1,0,0|0,0,2]=4 3140 B12R1.489 C=CCN1C(=O)CC[C@H]1C(=O)O Amb27955219 [0,1,0,1,0,0|0,0,2]=4 3141 B12R1.489 CCCC1C(=O)CCC1C(=O)O Amb27770158 [0,1,0,1,0,0|0,0,0]=2 3142 B12R1.489 CCCN1C(=O)CCC1C(=O)O Amb19001515 [0,1,0,1,0,0|0,0,0]=2 3143 B12R1.489 CCCN1C(=O)NCC1C(=O)O Amb29886496 [0,1,0,1,0,0|1,0,0]=3 3144 B12R1.489 CCCN1C(=O)OCC1C(=O)O Amb25381293 [0,1,0,1,0,0|1,0,0]=3 3145 B12R1.489 CCCN1C(=O)OC[C@@H]1C(=O)O Amb32673922 [0,1,0,1,0,0|1,0,0]=3 3146 B12R1.489 COC[C@@H]1C(=O)CC[C@H]1C(=O)O Amb27632433 [0,1,0,1,0,0|0,0,0]=2 3147 B12R1.489 N#CCN1C(=O)CC[C@H]1C(=O)O Amb25871666 [0,1,0,1,0,0|1,0,1]=4 3148 B12R1.489 O=C(O)C1CCC(=O)N1CCO Amb18302683 [0,1,0,1,0,0|1,0,0]=3 3149 B12R1.489 O=C(O)C1CNC(=O)N1CCF Amb29886499 [0,1,0,1,0,0|2,0,0]=4 3150 B12R1.489 O=C(O)C1CNC(=O)N1CCO Amb29886497 [0,1,0,1,0,0|2,0,0]=4 3151 B12R1.895 C=C(C)CCC1C(=O)COC1C Amb35682823 [0,1,0,1,0,0|2,0,0]=4 3152 B12R1.895 CC(=O)CCC1C(=O)CCC1=O Amb19134320 [0,1,0,1,0,0|1,0,1]=4 3153 B12R1.895 CC(O)CCC1C(=O)COC1C Amb35660460 [0,1,0,1,0,0|1,0,1]=4 3154 B12R1.895 CC1=NNC(=O)C1CCC(=O)O Amb1161438 [0,1,0,1,0,0|1,0,1]=4 3155 B12R1.895 CC1=NOC(=O)C1CCC(=O)O Amb6892606 [0,1,0,1,0,0|1,0,1]=4 3156 B12R1.895 CC1OCC(=O)C1CCS(C)=O Amb35690043 [0,1,0,1,0,0|2,0,0]=4 3157 B12R1.895 O=C(O)CCC1C(=O)COC1=O Amb28043447 [0,1,0,1,0,0|1,0,1]=4 3158 B12R1.895 O=C(O)CCN1C(=O)CCC1=O Amb1151949 [0,1,0,1,0,0|1,0,1]=4 3159 B12R1.1928 N#CC1CC(=O)CCCC(=O)C1 Amb27974072 [0,1,0,1,0,0|1,0,1]=4 3160 B12R1.2019 CCCNC(=O)C1CC1C(=O)O Amb17606126 [0,1,0,1,0,0|0,0,0]=2 3161 B12R1.2019 CCCNC(=O)[C@@H]1O[C@H]1C(=O)O Amb32414618 [0,1,0,1,0,0|1,0,0]=3 3162 B12R1.2019 CCCNC(=O)[C@H]1O[C@@H]1C(=O)O Amb24080022 [0,1,0,1,0,0|1,0,0]=3 3163 B12R1.50 C=C(C=O)CC1CCCC(=O)C1 Amb27754070 [0,1,0,1,0,0|1,0,0]=3 3164 B12R1.50 CCS(=O)CC1CCCC(=O)C1 Amb30013483 [0,1,0,1,0,0|2,0,0]=4 3165 B12R1.50 CNC(=O)CN1CCCC(=O)C1 Amb27163547 [0,1,0,1,0,0|2,0,0]=4 3166 B12R1.50 COC(=O)CC1=CC(=O)CCC1 Amb28199846 [0,1,0,1,0,0|0,0,2]=4 3167 B12R1.50 COC(=O)CC1CCCC(=O)C1 Amb4006028 [0,1,0,1,0,0|0,0,0]=2 3168 B12R1.50 COC(=O)CC1CCCC(C)C1 Amb26369360 [0,1,0,1,0,0|1,0,1]=4 3169 B12R1.50 COC(=O)CC1CCCC(Cl)C1 Amb27816481 [0,1,0,1,0,0|1,0,1]=4 3170 B12R1.50 COC(=O)CC1CCCC(O)C1 Amb26489250 [0,1,0,1,0,0|0,0,2]=4 3171 B12R1.50 COC(=O)CC1CCCN(C)C1 Amb27750171 [0,1,0,1,0,0|2,0,0]=4 3172 B12R1.50 COC(=O)C[C@@H]1CCNC(=O)C1 Amb28291417 [0,1,0,1,0,0|1,0,0]=3 3173 B12R1.50 COC(=O)C[C@H]1CCC[C@@H](N)C1 Amb27847546 [0,1,0,1,0,0|1,0,1]=4 3174 B12R1.179 CCCC1=NC(C(=O)OC)CO1 Amb32751215 [0,1,0,1,0,0|2,0,0]=4 3175 B12R1.353 COC(=O)CCC1CCCC1=O Amb17400325 [0,1,0,1,0,0|0,0,0]=2 3176 B12R1.353 COC(=O)CCN1CCCC1=O Amb7773694 [0,1,0,1,0,0|1,0,0]=3 3177 B12R1.353 COC(=O)\C=C\C1CCCC1=O Amb25985953 [0,1,0,1,0,0|0,0,2]=4 3178 B12R1.353 C\C(=C\CC1CCCC1=O)CO Amb28246502 [0,1,0,1,0,0|1,0,1]=4 3179 B12R1.353 N\C(CCN1CCCC1=O)=N/O Amb28399402 [0,1,0,1,0,0|2,0,0]=4 3180 B12R1.353 O=C(CCN1CCCC1=O)NO Amb28317627 [0,1,0,1,0,0|1,0,0]=3 3181 B12R1.477 COC(=O)CCCN1CCCC1 Amb8455429 [0,1,0,1,0,0|2,0,0]=4 3182 B12R1.532 COC(=O)CC1NC(=O)OC1C Amb28040949 [0,1,0,1,0,0|2,0,0]=4 3183 B12R1.743 CCC1=C(C(=O)OC)CCC1=O Amb27968299 [0,1,0,1,0,0|0,0,2]=4 3184 B12R1.743 CCC1C(=O)OCC1C(=O)CCl Amb27967232 [0,1,0,1,0,0|2,0,0]=4 3185 B12R1.743 CCN1C(=O)CCC1C(=O)OC Amb26035586 [0,1,0,1,0,0|1,0,0]=3 3186 B12R1.743 CCN1C(=O)CC[C@@H]1C(=O)OC Amb32677042 [0,1,0,1,0,0|1,0,0]=3 3187 B12R1.743 CCN1C(=O)CC[C@H]1C(=O)OC Amb26991433 [0,1,0,1,0,0|1,0,0]=3 3188 B12R1.743 COC(=O)C1CCC(=O)N1CCl Amb28320735 [0,1,0,1,0,0|2,0,0]=4 3189 B12R1.743 COC(=O)C1CCC(=O)N1CO Amb27652909 [0,1,0,1,0,0|2,0,0]=4 3190 B12R1.743 COC(=O)[C@@H]1CCC(=O)N1CO Amb27484722 [0,1,0,1,0,0|2,0,0]=4 3191 B12R1.743 COC(=O)[C@@H]1CCC(=O)[C@H]1CO Amb27427849 [0,1,0,1,0,0|1,0,0]=3 3192 B12R1.743 C\C=C1/C(=O)CCC1C(=O)OC Amb27176090 [0,1,0,1,0,0|0,0,2]=4 3193 B12R1.1579 CCOC(=O)C1CCC(=O)C1C Amb27177485 [0,1,0,1,0,0|2,0,0]=4 3194 B12R1.1579 CCOC(=O)C1CNC(=O)C1O Amb27442296 [0,1,0,1,0,0|2,0,0]=4 3195 B12R1.1579 CCOC(=O)[C@@H]1CCC(=O)N1O Amb25084339 [0,1,0,1,0,0|1,0,0]=3 3196 B12R1.1703 CNC(=O)C1CCC(=O)CC1C Amb27598429 [0,1,0,1,0,0|1,0,0]=3 3197 B12R1.1703 COC(=O)C1CCC(=O)C=C1C Amb25348806 [0,1,0,1,0,0|0,0,2]=4 3198 B12R1.1703 COC(=O)C1CNC(=O)CC1C Amb35752333 [0,1,0,1,0,0|1,0,0]=3 3199 B12R1.1703 COC(=O)[C@@H]1CCC(=O)C[C@@H]1C Amb27428021 [0,1,0,1,0,0|0,0,0]=2 3200 B12R1.1703 COC(=O)[C@H]1C=CC(=O)C[C@H]1C Amb28052455 [0,1,0,1,0,0|0,0,2]=4 3201 B12R1.1703 COC(=O)[C@H]1CCC(=O)C[C@@H]1O Amb28131971 [0,1,0,1,0,0|1,0,0]=3 3202 B12R1.1703 COC(=O)[C@H]1CCC(=O)C[C@H]1C Amb27199101 [0,1,0,1,0,0|0,0,0]=2 3203 B12R1.119 CS(=O)(=O)CC1CCCC(=O)C1 Amb35699449 [0,1,0,1,0,0|1,0,1]=4 3204 B12R1.129 O=C1CCCN1CCP(=O)([O-])O Amb593114 [0,1,0,1,0,0|2,0,0]=4 3205 B12R2.182 CCCC1=C[C@H]2C(=O)CC[C@@H]12 Amb28198609 [0,0,0,2,0,0|2,0,0]=4 3206 B12R2.196 C=C1CCC2C(=O)CCCC12 Amb28144076 [0,0,0,2,0,0|2,0,0]=4 3207 B12R2.196 O=C1CCN2C(=O)CCCC12 Amb27750327 [0,0,0,2,0,0|2,0,0]=4 3208 B12R2.196 O=C1CCN2C(=O)CCCN12 Amb27767877 [0,0,0,2,0,0|2,0,0]=4 3209 B12R2.196 O=C1NCCN2C(=O)CCC12 Amb26033384 [0,0,0,2,0,0|2,0,0]=4 3210 B12R2.202 C=C1CC2CCCC(=O)C2C1 Amb28202047 [0,0,0,2,0,0|2,0,0]=4 3211 B12R2.202 O=C1CC2CCCC(Br)C2O1 Amb28073080 [0,0,0,2,0,0|1,0,1]=4 3212 B12R2.202 O=C1CC2CCCC(O)C2O1 Amb27870881 [0,0,0,2,0,0|0,0,2]=4 3213 B12R2.202 O=C1C[C@@H]2CCC[C@@H](O)[C@H]2O1 Amb27184180 [0,0,0,2,0,0|0,0,2]=4 3214 B12R2.202 O=C1C[C@@H]2CCC[C@H](O)[C@H]2O1 Amb27623892 [0,0,0,2,0,0|0,0,2]=4 3215 B12R2.202 O=C1C[C@H]2CCCC(=O)[C@H]2N1 Amb27781073 [0,0,0,2,0,0|1,0,0]=3 3216 B12R2.771 CC1CC(Br)C2CC1C(=O)O2 Amb28073081 [0,0,0,2,0,0|1,0,1]=4 3217 B12R2.771 C[C@H]1C[C@H](Br)[C@@H]2C[C@H]1C(=O)O2 Amb27427831 [0,0,0,2,0,0|1,0,1]=4 3218 B12R2.2199 CCC1C(=O)C2CC(O)CC12 Amb27434203 [0,0,0,2,0,0|1,0,1]=4 3219 B12R2.2199 CC[C@H]1C(=O)[C@@H]2C[C@H](O)C[C@H]12 Amb27854306 [0,0,0,2,0,0|1,0,1]=4 3220 B12R2.2296 CC1(C2CCC(=O)O2)CCC1 Amb33036108 [0,0,0,2,0,0|1,0,1]=4 3221 B12R2.2297 CC1CC1(C)C2CCC(=O)O2 Amb33036245 [0,0,0,2,0,0|1,0,1]=4 3222 B12R2.2299 O=C1CCC(C(=O)N2CC2)O1 Amb28256539 [0,0,0,2,0,0|1,0,0]=3 3223 B12R2.2299 O=C1CCN(C(=O)C2CC2)N1 Amb32721866 [0,0,0,2,0,0|2,0,0]=4 3224 B12R2.2299 O=C1CC[C@H](C(=O)N2CC2)N1 Amb27765786 [0,0,0,2,0,0|2,0,0]=4 3225 B12R2.2314 O=C1CCC2(CCCC2=O)O1 Amb25709581 [0,0,0,2,0,0|0,0,0]=2 3226 B12R2.2314 O=C1CCC2(CCCC2Br)O1 Amb27830083 [0,0,0,2,0,0|1,0,1]=4 3227 B12R2.2314 O=C1CCC2(CCNC2=O)N1 Amb22233055 [0,0,0,2,0,0|2,0,0]=4 3228 B12R2.2314 O=C1CCC2(CCOC2=O)N1 Amb28313153 [0,0,0,2,0,0|2,0,0]=4 3229 B12R2.2314 O=C1CC[C@@]2(CCCC2=O)N1 Amb27607089 [0,0,0,2,0,0|1,0,0]=3 3230 B12R2.2314 O=C1CC[C@]2(CCCC2=O)N1 Amb25806108 [0,0,0,2,0,0|1,0,0]=3 3231 B12R2.2321 CC12CCCC(=O)C(CC1)O2 Amb27262928 [0,0,0,2,0,0|1,0,1]=4 3232 B12R2.2321 C[C@@]12CCCC(=O)[C@@H](CC1)O2 Amb27226950 [0,0,0,2,0,0|1,0,1]=4 3233 B12R2.1413 O=C(O)CC1CC2CCCC21 Amb25217122 [0,0,0,2,0,0|1,0,1]=4 3234 B12R2.2443 O=C1CC2C1CNC2C(=O)O Amb24554191 [0,0,0,2,0,0|1,0,0]=3 3235 B12R2.3028 CC1OC(=O)OC2NC(=O)C12 Amb27391733 [0,0,0,2,0,0|2,0,0]=4 3236 B12R2.1129 CC(=O)N1C2CCC1C(=O)C2 Amb25960710 [0,0,0,2,0,0|2,0,0]=4 3237 B12R2.1129 NC(=O)[C@@H]1[C@H]2CC[C@@H]1C(=O)C2 Amb27420081 [0,0,0,2,0,0|1,0,0]=3 3238 B12R2.1129 NC1CC2CCC1C2C(=O)O Amb23454093 [0,0,0,2,0,0|1,0,1]=4 3239 B12R2.1129 O=C(O)C1C2CC[C@@H]1C(=O)C2 Amb27407063 [0,0,0,2,0,0|0,0,0]=2 3240 B12R2.1129 O=C(O)C1[C@@H]2C=C[C@H]1C(=O)C2 Amb27791759 [0,0,0,2,0,0|0,0,2]=4 3241 B12R2.1129 O=C(O)C1[C@@H]2CC[C@@H]1C[C@H]2O Amb27781553 [0,0,0,2,0,0|0,0,2]=4 3242 B12R2.1129 O=C(O)C1[C@H]2CC[C@@H]1[C@@H](O)C2 Amb28291538 [0,0,0,2,0,0|0,0,2]=4 3243 B12R2.1129 O=C(O)[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27433899 [0,0,0,2,0,0|0,0,0]=2 3244 B12R2.1129 O=C1CC2C=CC1C2C(=O)O Amb27470929 [0,0,0,2,0,0|0,0,2]=4 3245 B12R2.1362 O=C(O)C1CCC2CCCN21 Amb28239751 [0,0,0,2,0,0|1,0,1]=4 3246 B12R2.1362 O=C(O)C1CC[C@H]2CCC[C@@H]12 Amb27419964 [0,0,0,2,0,0|1,0,1]=4 3247 B12R2.1362 O=C(O)[C@@H]1CCN2CCC[C@H]12 Amb27439856 [0,0,0,2,0,0|2,0,0]=4 3248 B12R2.1362 O=C(O)[C@@H]1CC[C@@H]2CCC[C@@H]21 Amb27253193 [0,0,0,2,0,0|1,0,1]=4 3249 B12R2.1362 O=C(O)[C@@H]1CC[C@H]2CCC[C@H]21 Amb24578118 [0,0,0,2,0,0|1,0,1]=4 3250 B12R2.1362 O=C(O)[C@H]1CCN2CCCC12 Amb27602806 [0,0,0,2,0,0|2,0,0]=4 3251 B12R2.1362 O=C(O)[C@H]1CCN2CCC[C@@H]12 Amb27459026 [0,0,0,2,0,0|2,0,0]=4 3252 B12R2.1362 O=C(O)[C@H]1CCN2CCC[C@H]12 Amb27654429 [0,0,0,2,0,0|2,0,0]=4 3253 B12R2.1362 O=C(O)[C@H]1CC[C@H]2CCC[C@@H]12 Amb28144821 [0,0,0,2,0,0|1,0,1]=4 3254 B12R2.3852 NC1C2CCC1C(C(=O)O)C2 Amb24642247 [0,0,0,2,0,0|1,0,1]=4 3255 B12R2.3852 O=C(O)C1CC2CCC1C2=O Amb25095207 [0,0,0,2,0,0|0,0,0]=2 3256 B12R2.3852 O=C(O)C1CC2CCC1C2F Amb25197957 [0,0,0,2,0,0|1,0,1]=4 3257 B12R2.3852 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1[C@H]2O Amb27657730 [0,0,0,2,0,0|0,0,2]=4 3258 B12R2.3852 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2=O Amb25200972 [0,0,0,2,0,0|0,0,0]=2 3259 B12R2.3852 O=C1C2C=CC1C(C(=O)O)C2 Amb26425856 [0,0,0,2,0,0|0,0,2]=4 3260 B12R2.3852 O=C1[C@@H]2C=C[C@H]1[C@@H](C(=O)O)C2 Amb25229569 [0,0,0,2,0,0|0,0,2]=4 3261 B12R2.3925 O=C(O)C1CNC(=O)C12CC2 Amb28284958 [0,0,0,2,0,0|1,0,0]=3 3262 B12R2.2538 O=C(O)C1CCC2C(F)C2C1 Amb28346011 [0,0,0,2,0,0|1,0,1]=4 3263 B12R2.111 O=C1CC(C2CCCC2=O)N1 Amb25347685 [0,0,0,2,0,0|1,0,0]=3 3264 B12R2.252 O=C(O)C1CC2=C(CCC2)C1 Amb27865670 [0,0,0,2,0,0|1,0,1]=4 3265 B12R2.252 O=C(O)C1CC2CCCC2C1 Amb27794757 [0,0,0,2,0,0|1,0,1]=4 3266 B12R2.252 O=C(O)C1CC2CCCC2N1 Amb24117841 [0,0,0,2,0,0|1,0,1]=4 3267 B12R2.252 O=C(O)C1CC2CCCC2N1 Amb6306680 [0,0,0,2,0,0|1,0,1]=4 3268 B12R2.252 O=C(O)[C@@H]1CC2CCCC2=N1 Amb27984762 [0,0,0,2,0,0|1,0,0]=3 3269 B12R2.252 O=C(O)[C@@H]1CC2CCCC2N1 Amb27972615 [0,0,0,2,0,0|1,0,1]=4 3270 B12R2.252 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 Amb2613747 [0,0,0,2,0,0|1,0,1]=4 3271 B12R2.252 O=C(O)[C@@H]1C[C@H]2CCC[C@H]2N1 Amb17608587 [0,0,0,2,0,0|1,0,1]=4 3272 B12R2.252 O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1 Amb8627881 [0,0,0,2,0,0|1,0,1]=4 3273 B12R2.589 CN1CC[C@@H]2C(CC(=O)O)[C@@H]21 Amb27229372 [0,0,0,2,0,0|2,0,0]=4 3274 B12R2.612 O=C1C=C2CCC(=O)C2CC1 Amb25891415 [0,0,0,2,0,0|1,0,1]=4 3275 B12R2.612 O=C1CCC2C(=O)CCC2N1 Amb27469808 [0,0,0,2,0,0|1,0,0]=3 3276 B12R2.612 O=C1CCN2C(=O)CCC2C1 Amb22499540 [0,0,0,2,0,0|2,0,0]=4 3277 B12R2.612 O=C1CCN2C(=O)CCC2N1 Amb27797350 [0,0,0,2,0,0|2,0,0]=4 3278 B12R2.612 O=C1CC[C@@H]2C(=O)CC[C@@H]2C1 Amb27263016 [0,0,0,2,0,0|1,0,0]=3 3279 B12R2.1017 CC(=O)C1CC2CC1CC2=O Amb27434204 [0,0,0,2,0,0|1,0,0]=3 3280 B12R2.1017 CC1=CC2CC1CC2C(=O)O Amb27777170 [0,0,0,2,0,0|1,0,1]=4 3281 B12R2.1017 NC1CC2CC1CC2C(=O)O Amb27445070 [0,0,0,2,0,0|1,0,1]=4 3282 B12R2.1017 NC1C[C@@H]2C[C@H]1CC2C(=O)O Amb18200452 [0,0,0,2,0,0|1,0,1]=4 3283 B12R2.1017 NC1C[C@H]2C[C@@H]1CC2C(=O)O Amb27420246 [0,0,0,2,0,0|1,0,1]=4 3284 B12R2.1017 N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O Amb24595495 [0,0,0,2,0,0|1,0,1]=4 3285 B12R2.1017 N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O Amb33620543 [0,0,0,2,0,0|1,0,1]=4 3286 B12R2.1017 O=C(O)C1CC2CC1CC2O Amb22498844 [0,0,0,2,0,0|0,0,2]=4 3287 B12R2.1017 O=C(O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O Amb35752483 [0,0,0,2,0,0|0,0,2]=4 3288 B12R2.1017 O=C1CC2CC1CC2C(=O)O Amb27176431 [0,0,0,2,0,0|0,0,0]=2 3289 B12R2.1017 O=C1C[C@@H]2C[C@@H]1C[C@H]2C(=O)O Amb27232840 [0,0,0,2,0,0|0,0,0]=2 3290 B12R2.1017 O=C1C[C@H]2C[C@@H]1C[C@H]2C(=O)O Amb33484207 [0,0,0,2,0,0|0,0,0]=2 3291 B12R2.2376 CC1CCCC12CC2C(=O)O Amb27757709 [0,0,0,2,0,0|1,0,1]=4 3292 B12R2.2563 CC1(O)CCC2CCC1C2=O Amb27802521 [0,0,0,2,0,0|1,0,1]=4 3293 B12R2.3156 O=C(O)CC1CC2(CCC2)C1 Amb33620700 [0,0,0,2,0,0|1,0,1]=4 3294 B12R2.251 O=C(O)C1CCC(C2CC2)N1 Amb18200474 [0,0,0,2,0,0|1,0,1]=4 3295 B12R2.251 O=C(O)C1CCC(C2CC2)N1 Amb28652873 [0,0,0,2,0,0|1,0,1]=4 3296 B12R2.251 O=C(O)C1CCC(C2CC2)O1 Amb28366951 [0,0,0,2,0,0|0,0,2]=4 3297 B12R2.251 O=C(O)C1CCN(C2CC2)C1 Amb18288094 [0,0,0,2,0,0|2,0,0]=4 3298 B12R2.251 O=C(O)C1CSC(C2CC2)=N1 Amb22727472 [0,0,0,2,0,0|2,0,0]=4 3299 B12R2.251 O=C(O)[C@@H]1CC[C@@H](C2CC2)N1 Amb26415269 [0,0,0,2,0,0|1,0,1]=4 3300 B12R2.251 O=C(O)[C@@H]1CC[C@@H](C2CC2)N1 Amb32665166 [0,0,0,2,0,0|1,0,1]=4 3301 B12R2.251 O=C(O)[C@@H]1CSC(C2CC2)=N1 Amb35648205 [0,0,0,2,0,0|2,0,0]=4 3302 B12R2.251 O=C(O)[C@H]1CC[C@H](C2CC2)N1 Amb27630702 [0,0,0,2,0,0|1,0,1]=4 3303 B12R2.251 O=C(O)[C@H]1CSC(C2CC2)=N1 Amb32676219 [0,0,0,2,0,0|2,0,0]=4 3304 B12R2.1072 NC1CC2CC(C(=O)O)CC12 Amb32650233 [0,0,0,2,0,0|1,0,1]=4 3305 B12R2.1072 NC1CC2CC(C(=O)O)CC12 Amb32721611 [0,0,0,2,0,0|1,0,1]=4 3306 B12R2.1072 N[C@@H]1C[C@@H]2CC(C(=O)O)C[C@@H]21 Amb32645884 [0,0,0,2,0,0|1,0,1]=4 3307 B12R2.1072 N[C@@H]1C[C@@H]2CC(C(=O)O)C[C@@H]21 Amb32719276 [0,0,0,2,0,0|1,0,1]=4 3308 B12R2.1391 O=C(O)C1CN2CCCC1C2 Amb24381374 [0,0,0,2,0,0|2,0,0]=4 3309 B12R2.3099 O=C(O)C12CCCC(CC1)C2 Amb18125740 [0,0,0,2,0,0|1,0,1]=4 3310 B12R2.3099 O=C(O)C12CCCC(CC1)N2 Amb3319354 [0,0,0,2,0,0|1,0,1]=4 3311 B12R2.3099 O=C(O)C12CCCN(CC1)C2 Amb24078299 [0,0,0,2,0,0|2,0,0]=4 3312 B12R2.3099 O=C(O)C12CCCN(CC1)C2 Amb28652966 [0,0,0,2,0,0|2,0,0]=4 3313 B12R2.3099 O=C(O)[C@]12CCC[C@H](CC1)C2 Amb27976700 [0,0,0,2,0,0|1,0,1]=4 3314 B12R2.3197 O=C(O)C1CCC2(CCC2)C1 Amb35752934 [0,0,0,2,0,0|1,0,1]=4 3315 B12R2.3197 O=C(O)C1CCC2(CCC2)O1 Amb28061414 [0,0,0,2,0,0|0,0,2]=4 3316 B12R2.1123 CC1CC2CC2CC1C(=O)O Amb32988612 [0,0,0,2,0,0|1,0,1]=4 3317 B12R2.606 C=C1C[C@H]2CC(=O)CC[C@@H]2C1 Amb28201040 [0,0,0,2,0,0|2,0,0]=4 3318 B12R2.606 CC1=C[C@H]2CCC(=O)C[C@H]2C1 Amb27212520 [0,0,0,2,0,0|2,0,0]=4 3319 B12R2.606 O=C1C=C[C@@H]2OC(=O)C[C@@H]2C1 Amb27970173 [0,0,0,2,0,0|0,0,2]=4 3320 B12R2.606 O=C1CC2CNC(=O)CC2C1 Amb22828180 [0,0,0,2,0,0|1,0,0]=3 3321 B12R2.606 O=C1CC2COC(=O)CC2C1 Amb28074806 [0,0,0,2,0,0|0,0,0]=2 3322 B12R2.606 O=C1CCC2OC(=O)CC2C1 Amb17593843 [0,0,0,2,0,0|0,0,0]=2 3323 B12R2.606 O=C1CC[C@H]2CC(=O)C[C@H]2C1 Amb28131351 [0,0,0,2,0,0|1,0,0]=3 3324 B12R2.606 O=C1C[C@@H]2CC(O)CC[C@@H]2C1 Amb27880612 [0,0,0,2,0,0|1,0,1]=4 3325 B12R2.606 O=C1C[C@@H]2CC(O)OC[C@@H]2C1 Amb27802702 [0,0,0,2,0,0|0,0,2]=4 3326 B12R2.606 O=C1C[C@@H]2CC[C@H](O)C[C@@H]2C1 Amb28052260 [0,0,0,2,0,0|1,0,1]=4 3327 B12R2.606 O=C1C[C@@H]2CC[C@H](O)C[C@H]2C1 Amb27427856 [0,0,0,2,0,0|1,0,1]=4 3328 B12R2.606 O=C1C[C@@H]2CNC(=O)C[C@@H]2C1 Amb25233082 [0,0,0,2,0,0|1,0,0]=3 3329 B12R2.606 O=C1C[C@H]2CNC(=O)C[C@H]2C1 Amb27963727 [0,0,0,2,0,0|1,0,0]=3 3330 B12R2.606 O=C1C[C@H]2C[C@H](O)C[C@H]2CO1 Amb27472781 [0,0,0,2,0,0|0,0,2]=4 3331 B12R2.2325 O=C1CCC[C@@]2(O)CCC[C@@H]12 Amb28285884 [0,0,0,2,0,0|1,0,1]=4 3332 B12R2.89 CC1CCC2C(C1)C2C(=O)O Amb28396668 [0,0,0,2,0,0|1,0,1]=4 3333 B12R2.89 CN1CCC2C(C1)C2C(=O)O Amb18200455 [0,0,0,2,0,0|2,0,0]=4 3334 B12R2.216 O=C1CN2CCC(N1)C(=O)C2 Amb28073002 [0,0,0,2,0,0|2,0,0]=4 3335 B12R2.1085 CN1CCCC2C(C(=O)O)C21 Amb18200454 [0,0,0,2,0,0|2,0,0]=4 3336 B12R2.1085 NC1CCCC2C(C(=O)O)C12 Amb26930592 [0,0,0,2,0,0|1,0,1]=4 3337 B12R2.1085 NC1CCC[C@H]2[C@H](C(=O)O)[C@@H]12 Amb27403148 [0,0,0,2,0,0|1,0,1]=4 3338 B12R2.1085 O=C(O)C1C2CCCC(=O)C21 Amb27816456 [0,0,0,2,0,0|0,0,0]=2 3339 B12R2.1085 O=C(O)C1C2CCCC(O)C21 Amb28411208 [0,0,0,2,0,0|0,0,2]=4 3340 B12R2.1085 O=C(O)[C@@H]1[C@H]2C(=O)CCC[C@@H]12 Amb26907624 [0,0,0,2,0,0|0,0,0]=2 3341 B12R2.1085 O=C(O)[C@@H]1[C@H]2CCCC(=O)[C@H]21 Amb35745886 [0,0,0,2,0,0|0,0,0]=2 3342 B12R2.1085 O=C1CCCC2C1C2[N+](=O)[O-] Amb28429553 [0,0,0,2,0,0|1,0,1]=4 3343 B12R2.1655 O=C(O)CC1CCC2CC2C1 Amb27239974 [0,0,0,2,0,0|1,0,1]=4 3344 B12R2.1661 O=C(O)CC1CC2CCC1C2 Amb9703154 [0,0,0,2,0,0|1,0,1]=4 3345 B12R2.1661 O=C(O)CC1CC2CCC1O2 Amb18200227 [0,0,0,2,0,0|0,0,2]=4 3346 B12R2.1661 O=C(O)CC1C[C@@H]2CC[C@H]1C2 Amb3940184 [0,0,0,2,0,0|1,0,1]=4 3347 B12R2.1661 O=C(O)CC1C[C@H]2CC[C@@H]1C2 Amb27449302 [0,0,0,2,0,0|1,0,1]=4 3348 B12R2.1661 O=C(O)C[C@H]1C[C@H]2CC[C@@H]1C2 Amb27419930 [0,0,0,2,0,0|1,0,1]=4 3349 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 Amb1149849 [0,0,0,2,0,0|2,0,0]=4 3350 B12R2.2899 C=C1C[C@@H]2CC(=O)C[C@@H](C1)C2 Amb27789770 [0,0,0,2,0,0|2,0,0]=4 3351 B12R2.2899 C=C1C[C@H]2CC(=O)C[C@@H](C1)C2 Amb27766690 [0,0,0,2,0,0|2,0,0]=4 3352 B12R2.2899 CC1=CC2CC(=O)CC(C1)C2 Amb27828039 [0,0,0,2,0,0|2,0,0]=4 3353 B12R2.2899 CC1=C[C@@H]2CC(=O)C[C@@H](C1)C2 Amb27435457 [0,0,0,2,0,0|2,0,0]=4 3354 B12R2.2899 CC1=C[C@@H]2CC(=O)C[C@H](C1)C2 Amb27669015 [0,0,0,2,0,0|2,0,0]=4 3355 B12R2.2899 CC1=C[C@H]2CC(=O)C[C@@H](C1)C2 Amb27844278 [0,0,0,2,0,0|2,0,0]=4 3356 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 Amb25322870 [0,0,0,2,0,0|1,0,0]=3 3357 B12R2.2899 O=C1C[C@@H]2C[C@@H](O)C[C@H](C1)C2 Amb28381166 [0,0,0,2,0,0|1,0,1]=4 3358 B12R2.2899 O=C1C[C@H]2CC(=O)N[C@@H](C1)C2 Amb27420189 [0,0,0,2,0,0|1,0,0]=3 3359 B12R2.1213 CC1=CCC2(C(=O)O)CC2C1 Amb28138551 [0,0,0,2,0,0|1,0,1]=4 3360 B12R2.1213 CC1=CC[C@@]2(C(=O)O)C[C@H]2C1 Amb27859662 [0,0,0,2,0,0|1,0,1]=4 3361 B12R2.1213 NC(=S)C12CCC(=O)CC1C2 Amb27230134 [0,0,0,2,0,0|1,1,0]=4 3362 B12R2.1387 O=C(O)C1CCC2CC1CO2 Amb32645648 [0,0,0,2,0,0|0,0,2]=4 3363 B12R2.1387 O=C(O)C1CCC2CCC1N2 Amb25354424 [0,0,0,2,0,0|1,0,1]=4 3364 B12R2.1387 O=C(O)[C@@H]1CC[C@@H]2CC[C@H]1N2 Amb27637623 [0,0,0,2,0,0|1,0,1]=4 3365 B12R2.1387 O=C(O)[C@@H]1CC[C@@H]2CC[C@H]1N2 Amb33716329 [0,0,0,2,0,0|1,0,1]=4 3366 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2CC[C@@H]1N2 Amb23440217 [0,0,0,2,0,0|1,0,1]=4 3367 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2CC[C@@H]1O2 Amb27444125 [0,0,0,2,0,0|0,0,2]=4 3368 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2CC[C@H]1C2 Amb27484139 [0,0,0,2,0,0|1,0,1]=4 3369 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2CC[C@H]1O2 Amb33017537 [0,0,0,2,0,0|0,0,2]=4 3370 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2C[C@@H]1CO2 Amb33189310 [0,0,0,2,0,0|0,0,2]=4 3371 B12R2.1387 O=C(O)[C@H]1CCC2CCC1C2 Amb28245248 [0,0,0,2,0,0|1,0,1]=4 3372 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 Amb26532205 [0,0,0,2,0,0|1,0,1]=4 3373 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 Amb32643941 [0,0,0,2,0,0|1,0,1]=4 3374 B12R2.1387 O=C(O)[C@H]1CC[C@H]2CC[C@@H]1C2 Amb28051873 [0,0,0,2,0,0|1,0,1]=4 3375 B12R2.254 O=C(O)C1CCC12CCCO2 Amb35752933 [0,0,0,2,0,0|0,0,2]=4 3376 B12R2.1354 O=C(O)C1CC1C2CCCC2 Amb18285138 [0,0,0,2,0,0|1,0,1]=4 3377 B12R2.1354 O=C(O)C1CC1C2CCCO2 Amb24334826 [0,0,0,2,0,0|0,0,2]=4 3378 B12R2.1354 O=C(O)C1CC1C2CCCS2 Amb33416221 [0,0,0,2,0,0|0,1,1]=4 3379 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2CCCC2 Amb33226763 [0,0,0,2,0,0|1,0,1]=4 3380 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2CCCO2 Amb33038083 [0,0,0,2,0,0|0,0,2]=4 3381 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2CCCS2 Amb33416206 [0,0,0,2,0,0|0,1,1]=4 3382 B12R2.1385 O=C(O)C1CCC2CC2CC1 Amb24729624 [0,0,0,2,0,0|1,0,1]=4 3383 B12R2.1385 O=C(O)C1CC[C@@H]2C[C@H]2CC1 Amb28199038 [0,0,0,2,0,0|1,0,1]=4 3384 B12R2.1385 O=C(O)C1CC[C@H]2C[C@H]2CC1 Amb33098568 [0,0,0,2,0,0|1,0,1]=4 3385 B12R2.3863 C=C1CC2CC(=O)CC2(C)C1 Amb27946209 [0,0,0,2,0,0|2,0,0]=4 3386 B12R2.3863 CC12CC(=O)CC1CC(=O)C2 Amb22365337 [0,0,0,2,0,0|1,0,0]=3 3387 B12R2.3863 CC12NC(=O)CC1CC(=O)N2 Amb27176404 [0,0,0,2,0,0|2,0,0]=4 3388 B12R2.3863 C[C@@]12C[C@H](O)C[C@@H]1CC(=O)O2 Amb28079188 [0,0,0,2,0,0|0,0,2]=4 3389 B12R2.124 O=C1CCC2CCC1CC2O Amb28349154 [0,0,0,2,0,0|1,0,1]=4 3390 B12R2.124 O=C1OC2CCC1CCC2O Amb27603946 [0,0,0,2,0,0|0,0,2]=4 3391 B12R2.1080 O=C1CC2C(CC2C(=O)O)O1 Amb27184088 [0,0,0,2,0,0|1,0,0]=3 3392 B12R2.5461 CC(=O)C12CCCC(=O)[C@@H]1O2 Amb27973097 [0,0,0,2,0,0|2,0,0]=4 3393 B12R2.5461 O=C1CCCC2(C(=O)O)OC12 Amb27865598 [0,0,0,2,0,0|1,0,0]=3 3394 B12R2.3081 C\C(=C1\CC1C(=O)O)C2CC2 Amb27191699 [0,0,0,2,0,0|1,0,1]=4 3395 B12R2.3081 O=C(C1CC1)C2CC2B(O)O Amb24314269 [0,0,0,2,0,0|1,0,1]=4 3396 B12R2.3081 O=C(O)C1CC1C(O)C2CC2 Amb27759299 [0,0,0,2,0,0|0,0,2]=4 3397 B12R2.3253 CC1(C2CC2)CC1CC(=O)O Amb27209178 [0,0,0,2,0,0|1,0,1]=4 3398 B8R0.9 CCC(=N)SCC(=O)O Amb27412807 [1,0,0,0,1,0|2,0,0]=4 3399 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [1,0,0,0,1,0|0,0,0]=2 3400 B8R0.9 CCC(=O)CCC(C)=O Amb17593347 [1,0,0,0,1,0|1,0,0]=3 3401 B8R0.9 CCC(=O)COC(C)=O Amb3940673 [1,0,0,0,1,0|2,0,0]=4 3402 B8R0.9 CCC(=O)CSC(C)=O Amb27180933 [1,0,0,0,1,0|2,0,0]=4 3403 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [1,0,0,0,1,0|1,0,0]=3 3404 B8R0.9 CCC(=O)NCC(N)=O Amb17231864 [1,0,0,0,1,0|2,0,0]=4 3405 B8R0.9 CCC(=O)OCC(C)=O Amb27662511 [1,0,0,0,1,0|2,0,0]=4 3406 B8R0.9 CCC(=O)OCC(N)=O Amb26505774 [1,0,0,0,1,0|2,0,0]=4 3407 B8R0.9 CCC(=O)\C=C/C(=O)O Amb27838748 [1,0,0,0,1,0|0,0,2]=4 3408 B8R0.9 CCC(=O)\C=C\C(=O)O Amb18642585 [1,0,0,0,1,0|0,0,2]=4 3409 B8R0.9 CCC(Br)CCC(=O)O Amb28367201 [1,0,0,0,1,0|1,0,1]=4 3410 B8R0.9 CCC(C)CCC(=O)O Amb22352932 [1,0,0,0,1,0|1,0,1]=4 3411 B8R0.9 CCC(Cl)CCC(=O)O Amb27955847 [1,0,0,0,1,0|1,0,1]=4 3412 B8R0.9 CCC(N)CCC(=O)O Amb21961489 [1,0,0,0,1,0|1,0,1]=4 3413 B8R0.9 CCC(N)CCC(=O)O Amb5717972 [1,0,0,0,1,0|1,0,1]=4 3414 B8R0.9 CCC(O)CCC(=O)O Amb27149373 [1,0,0,0,1,0|0,0,2]=4 3415 B8R0.9 CCC(S)CCC(=O)O Amb27954753 [1,0,0,0,1,0|0,1,1]=4 3416 B8R0.9 CCN(C)CCC(=O)O Amb8428205 [1,0,0,0,1,0|2,0,0]=4 3417 B8R0.9 CCN(C)CCC(=O)O Amb8890954 [1,0,0,0,1,0|2,0,0]=4 3418 B8R0.9 CCS(=O)CCC(=O)O Amb9173461 [1,0,0,0,1,0|1,0,0]=3 3419 B8R0.9 CCS(=O)NCC(=O)O Amb28322707 [1,0,0,0,1,0|2,0,0]=4 3420 B8R0.9 CC[C@@H](C)CCC(=O)O Amb25887394 [1,0,0,0,1,0|1,0,1]=4 3421 B8R0.9 CC[C@H](O)CCC(=O)O Amb27170465 [1,0,0,0,1,0|0,0,2]=4 3422 B8R0.9 CC\C(C)=C\CC(=O)O Amb22011800 [1,0,0,0,1,0|1,0,1]=4 3423 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [1,0,0,0,1,0|1,0,0]=3 3424 B8R0.9 CNC(=O)CCC(C)=O Amb17334107 [1,0,0,0,1,0|2,0,0]=4 3425 B8R0.9 CNC(=O)CCC(N)=O Amb17334114 [1,0,0,0,1,0|2,0,0]=4 3426 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [1,0,0,0,1,0|2,0,0]=4 3427 B8R0.9 CNC(=O)OCC(=O)O Amb30018932 [1,0,0,0,1,0|2,0,0]=4 3428 B8R0.9 COC(=O)CCC(=O)Cl Amb3939311 [1,0,0,0,1,0|2,0,0]=4 3429 B8R0.9 COC(=O)CCC(=O)O Amb6538024 [1,0,0,0,1,0|1,0,0]=3 3430 B8R0.9 COC(=O)CCC(C)=O Amb13777321 [1,0,0,0,1,0|2,0,0]=4 3431 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [1,0,0,0,1,0|2,0,0]=4 3432 B8R0.9 COC(=O)CCS(=O)O Amb25967240 [1,0,0,0,1,0|2,0,0]=4 3433 B8R0.9 COC(=O)NCC(=O)O Amb3941451 [1,0,0,0,1,0|2,0,0]=4 3434 B8R0.9 COC(=O)OCC(=O)O Amb8393899 [1,0,0,0,1,0|2,0,0]=4 3435 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [1,0,0,0,1,0|1,0,0]=3 3436 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [1,0,0,0,1,0|1,0,0]=3 3437 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [1,0,0,0,1,0|2,0,0]=4 3438 B8R0.9 NCC(=O)NCC(=O)O Amb8382637 [1,0,0,0,1,0|2,0,0]=4 3439 B8R0.9 O=C(O)CCC(=O)CCl Amb25736440 [1,0,0,0,1,0|1,0,0]=3 3440 B8R0.9 O=C(O)CNC(=O)CCl Amb1144436 [1,0,0,0,1,0|2,0,0]=4 3441 B8R0.9 O=C(O)CNC(=O)CO Amb18124375 [1,0,0,0,1,0|2,0,0]=4 3442 B8R0.9 O=C(O)COC(=O)CCl Amb18644547 [1,0,0,0,1,0|2,0,0]=4 3443 B8R0.9 O=C(O)CSC(=O)CS Amb27213308 [1,0,0,0,1,0|2,0,0]=4 3444 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [1,0,0,0,1,0|1,0,1]=4 3445 B8R0.5 CCCC(=O)CC(C)=O Amb9775079 [0,0,0,0,2,0|1,0,0]=3 3446 B8R0.5 CCCC(=O)CC(N)=O Amb28290969 [0,0,0,0,2,0|1,0,0]=3 3447 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [0,0,0,0,2,0|1,0,1]=4 3448 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [0,0,0,0,2,0|1,0,1]=4 3449 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [0,0,0,0,2,0|0,0,2]=4 3450 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [0,0,0,0,2,0|2,0,0]=4 3451 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [0,0,0,0,2,0|2,0,0]=4 3452 B8R0.5 CCCN(O)CC(=O)O Amb27850231 [0,0,0,0,2,0|1,0,1]=4 3453 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [0,0,0,0,2,0|1,0,0]=3 3454 B8R0.5 CCCS(=O)CC(C)=O Amb27180126 [0,0,0,0,2,0|2,0,0]=4 3455 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [0,0,0,0,2,0|1,0,1]=4 3456 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [0,0,0,0,2,0|1,0,1]=4 3457 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [0,0,0,0,2,0|0,0,2]=4 3458 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [0,0,0,0,2,0|1,0,1]=4 3459 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [0,0,0,0,2,0|1,0,1]=4 3460 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [0,0,0,0,2,0|1,0,1]=4 3461 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [0,0,0,0,2,0|0,0,2]=4 3462 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [0,0,0,0,2,0|1,0,1]=4 3463 B8R0.5 CCNC(=O)CC(=O)O Amb17399821 [0,0,0,0,2,0|1,0,0]=3 3464 B8R0.5 CCNC(=O)CC(C)=O Amb6254356 [0,0,0,0,2,0|2,0,0]=4 3465 B8R0.5 CCNC(=O)CC(N)=O Amb28058296 [0,0,0,0,2,0|2,0,0]=4 3466 B8R0.5 CCOC(=N)CC(=O)O Amb26612803 [0,0,0,0,2,0|2,0,0]=4 3467 B8R0.5 CCOC(=O)CC(=O)Cl Amb3939375 [0,0,0,0,2,0|2,0,0]=4 3468 B8R0.5 CCOC(=O)CC(=O)O Amb22492654 [0,0,0,0,2,0|1,0,0]=3 3469 B8R0.5 CCOC(=O)CC(=O)O Amb3939916 [0,0,0,0,2,0|1,0,0]=3 3470 B8R0.5 CCOC(=O)CC(=O)[O-] Amb2221978 [0,0,0,0,2,0|1,0,1]=4 3471 B8R0.5 CCOC(=O)CC(C)=O Amb2793050 [0,0,0,0,2,0|2,0,0]=4 3472 B8R0.5 CCOC(=O)CC(N)=O Amb8390795 [0,0,0,0,2,0|2,0,0]=4 3473 B8R0.5 CCOC(=O)CS(=O)O Amb27452527 [0,0,0,0,2,0|2,0,0]=4 3474 B8R0.5 CCSC(=O)CC(=O)O Amb27406351 [0,0,0,0,2,0|1,0,0]=3 3475 B8R0.5 CCSC(=O)CC(C)=O Amb27234619 [0,0,0,0,2,0|2,0,0]=4 3476 B8R0.5 CC\C=C(/Br)CC(=O)O Amb28208655 [0,0,0,0,2,0|1,0,1]=4 3477 B8R0.5 COCC(=O)CC(=O)O Amb24093174 [0,0,0,0,2,0|1,0,0]=3 3478 B8R0.5 COCC(=O)CC(C)=O Amb15701314 [0,0,0,0,2,0|2,0,0]=4 3479 B12R0.277 CCCC(=O)CCCCCC(=O)O Amb6305242 [0,0,0,0,0,2|0,0,0]=2 3480 B12R0.277 CCOC(=O)CCCCCC(=O)O Amb2692048 [0,0,0,0,0,2|1,0,0]=3