0 B10R0.97 C=C(F)CCCCCC(O)=O Amb22641493 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.97 CC(=O)CCC#CCC(O)=O Amb24426191 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.97 CC(=O)NCCOCC(O)=O Amb24271178 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.97 CC(CCCCCC(=O)O)C Amb16232096 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.97 CC(CCNCCC(=O)O)C Amb1110986 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.97 CC(O)CC#CCCC(O)=O Amb25775039 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.97 CC(O)CCCCCC(O)=O Amb24117232 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.97 ClC(=O)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.97 NC(=N)NCCCCC(O)=O Amb23523074 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.97 NC(=N)SCCCCC(O)=O Amb19787005 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.97 NC(=O)CCN\C=C\C(O)=O Amb25381541 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.97 NC(=O)NCSCNC(N)=O Amb24764851 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [0,0,0,0,0,0|3,0,0]=3 14 B10R0.97 OC(=O)CCCCSC(=N)N Amb1289596 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.97 OC(=O)CCCCSC(=[NH2+])N Amb1156024 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.97 OC(=O)CCCSCC(=O)O Amb17501146 [0,0,0,0,0,0|2,0,0]=2 17 B10R0.97 OC(=O)CCOCCC(O)=O Amb24057717 [0,0,0,0,0,0|0,1,0]=1 18 B10R0.97 OC(=O)CSCSCC(=O)O Amb1144944 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.97 OC(=O)\C=C/S\C=C/C(O)=O Amb18647804 [0,0,0,0,0,0|0,0,4]=4 20 B10R0.97 [O-][N+](=O)CCCCCC(O)=O Amb22347935 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.2 BrCCCCCCC(=O)O Amb10071514 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.2 C#CCCCCCC(O)=O Amb22232010 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.2 C=CCCCCCC(N)=O Amb25113258 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.2 C=CCCNCCC(N)=O Amb25672230 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.2 C=CCC\C=C\CC(O)=O Amb18643551 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.2 C=CC\C=C\CCC(O)=O Amb18643540 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.2 C=NCCCCCC(O)=O Amb25111950 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.2 CC#CCSCCC(O)=O Amb18797356 [1,0,0,0,0,0|1,0,2]=4 29 B9R0.2 CC(=C)CCOCCC=O Amb24354701 [1,0,0,0,0,0|2,1,0]=4 30 B9R0.2 CC(=C)CCSCCC=C Amb24377830 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.2 CC(=O)CCCCCC=C Amb24117120 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.2 CC(=O)CCCCCC=O Amb25290329 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.2 CC(=O)CCCCCCO Amb25728037 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.2 CC(=O)CCNCCCO Amb24704454 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.2 CC(=O)CCOCCCO Amb25094277 [1,0,0,0,0,0|1,1,1]=4 36 B9R0.2 CC(=O)CCSCCC#N Amb18265316 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.2 CC(=O)CNCCCC=O Amb24664343 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.2 CC(O)CCCCCC=O Amb24611207 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.2 CCCCCCCC(O)=O Amb22352272 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.2 CCCCCCCC(O)=O Amb22353407 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.2 CCCCCCC[13C](O)=O Amb20243497 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.2 CCCCCC[13CH2]C(O)=O Amb22367410 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.2 CCCCCC[13CH2][13C](O)=O Amb22367490 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.2 CCCCSCCC(=O)O Amb1032992 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.2 CCCCSCCC(N)=O Amb18798040 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22351826 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.2 CNCCCCCC(O)=O Amb25704769 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.2 CNCCOCCC(O)=O Amb18111840 [1,0,0,0,0,0|2,1,0]=4 50 B9R0.2 CNCCSCCC(N)=O Amb25024456 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.2 COCCCCCC(=O)O Amb10607872 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.2 COCCSCCC(N)=O Amb18788219 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.2 CS(=O)CCSCCCO Amb24538900 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.2 CSCCNCCC(O)=O Amb25055507 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.2 CSCCOCCC(O)=O Amb25173504 [1,0,0,0,0,0|2,1,0]=4 56 B9R0.2 CSCCSCCC(C)=O Amb24381035 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.2 CSCCSCCC(N)=O Amb24504409 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.2 CSCCSCCC(O)=O Amb25798868 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.2 C[13CH2]CCCCCC(O)=O Amb22367488 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.2 C\C=C/COCCC(O)=O Amb24377336 [1,0,0,0,0,0|1,1,1]=4 61 B9R0.2 C\C=C\CCCCC(O)=O Amb18643887 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.2 C\C=C\COCCC(O)=O Amb24478110 [1,0,0,0,0,0|1,1,1]=4 63 B9R0.2 ClCCCCCCC(=O)O Amb17594087 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.2 N#CCCCCCC(O)=O Amb18643705 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.2 N#CCCNCCC(=O)O Amb17315318 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.2 N#CCCOCCC(O)=O Amb24409319 [1,0,0,0,0,0|1,1,1]=4 67 B9R0.2 N#CCCSCCC(O)=O Amb18927741 [1,0,0,0,0,0|1,0,1]=3 68 B9R0.2 NC(=O)CCNCCCO Amb19959936 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.2 NCCCCCCC(=O)O Amb1151254 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.2 NCCCCCCC(=O)O Amb16232099 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.2 NCCCOCCC(O)=O Amb18111494 [1,0,0,0,0,0|1,1,1]=4 72 B9R0.2 NCCCSCCC(O)=O Amb24496605 [1,0,0,0,0,0|1,0,1]=3 73 B9R0.2 NCCSSCCC(=O)O Amb17608062 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.2 NOCCCCCC(=O)O Amb10975958 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.2 O=C(Cl)CCSCCCCl Amb24477286 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.2 OC(=O)CCCCCCF Amb25132501 [1,0,0,0,0,0|2,0,1]=4 77 B9R0.2 OC(=O)CCCCCCS Amb24710334 [1,0,0,0,0,0|1,1,1]=4 78 B9R0.2 OC(=O)CCCCN=C=O Amb24505309 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.2 OC(=O)CCOCCCBr Amb25207601 [1,0,0,0,0,0|1,1,1]=4 80 B9R0.2 OC(=O)CCOCCCF Amb25794478 [1,0,0,0,0,0|1,1,1]=4 81 B9R0.2 OC(=O)C\C=C/CCC=O Amb24480684 [1,0,0,0,0,0|1,0,1]=3 82 B9R0.2 OC(=O)C\C=C\CCC=O Amb18643818 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.2 OC(=O)\C=C\CCCC=O Amb25253849 [1,0,0,0,0,0|1,0,2]=4 84 B9R0.2 OCCC#CCCC(O)=O Amb25716100 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.2 OCCCCSCC(O)=O Amb18798269 [1,0,0,0,0,0|2,0,1]=4 86 B9R0.2 OCCCOCCC(O)=O Amb24476864 [1,0,0,0,0,0|0,1,1]=3 87 B9R0.2 OCCCSCCC(=S)N Amb17503263 [1,0,0,0,0,0|1,1,1]=4 88 B9R0.2 OCCCSSCC(O)=O Amb25053922 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.2 OCCCS\C=C\C(O)=O Amb25130157 [1,0,0,0,0,0|0,0,3]=4 90 B9R0.2 OCCSSCCC(=O)O Amb17615366 [1,0,0,0,0,0|1,0,1]=3 91 B9R0.2 ON=CCCCCC(O)=O Amb24480769 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.2 ONCCCCCC(O)=O Amb25354224 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.2 [13CH3]CCCCCCC(O)=O Amb22367137 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.2 [13CH3][13CH2]CCCCCC(O)=O Amb22367489 [1,0,0,0,0,0|2,0,1]=4 95 B11R0.6 CC(=O)CC(=O)CCCC(O)=O Amb22347933 [0,1,0,0,0,0|2,0,1]=4 96 B11R0.29 CC(=O)C(C)CCCCC(O)=O Amb20668227 [0,1,0,0,0,0|2,0,0]=3 97 B11R0.29 CC(=O)NCSC[C@@H](N)C(N)=O Amb23439024 [0,1,0,0,0,0|3,0,0]=4 98 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [0,1,0,0,0,0|2,0,0]=3 99 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [0,1,0,0,0,0|2,0,0]=3 100 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [0,1,0,0,0,0|2,0,0]=3 101 B11R0.29 CC(=O)NCSC[C@H](N)C(N)=O Amb19930742 [0,1,0,0,0,0|3,0,0]=4 102 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [0,1,0,0,0,0|2,0,0]=3 103 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [0,1,0,0,0,0|2,0,0]=3 104 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [0,1,0,0,0,0|3,0,0]=4 105 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.29 NC(CSCCC(O)=O)C(O)=O Amb22734793 [0,1,0,0,0,0|0,0,0]=1 107 B11R0.29 N[C@@H](CCCCB(O)O)C(O)=O Amb22747786 [0,1,0,0,0,0|2,0,1]=4 108 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [0,1,0,0,0,0|1,0,0]=2 109 B11R0.29 OC(=O)CCCCC(C(=O)O)C Amb10844066 [0,1,0,0,0,0|1,0,0]=2 110 B11R0.29 OC(=O)CCCSC(C(=O)O)C Amb17503620 [0,1,0,0,0,0|2,0,0]=3 111 B11R0.29 OC(=O)CCSC[C@@H](C(=O)O)N Amb17610546 [0,1,0,0,0,0|0,0,0]=1 112 B11R0.31 CS(=O)(=O)CCOCCC(O)=O Amb23453010 [0,1,0,0,0,0|1,1,1]=4 113 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,1,0,0,0,0|1,0,0]=2 114 B11R0.85 CN(CCC(N)=O)CCC(N)=O Amb22008454 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.85 CN(CCC(O)=O)CCC(O)=O Amb24117217 [0,1,0,0,0,0|1,0,0]=2 116 B11R0.85 NC(=O)CCS(=O)CCC(=O)N Amb11032423 [0,1,0,0,0,0|2,0,1]=4 117 B11R0.85 OC(=O)CCC(=O)NCC(O)=O Amb17940408 [0,1,0,0,0,0|2,0,0]=3 118 B11R0.111 COC(=O)CCCCCC(=O)O Amb13887311 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.75 CC(=O)CCC1=CCC(=O)O1 Amb25059677 [0,0,0,1,0,0|2,0,1]=4 120 B11R1.75 CC1CCC(CCC(O)=O)O1 Amb20623187 [0,0,0,1,0,0|2,0,1]=4 121 B11R1.75 C[C@@H]1CC[C@@H](CCC(O)=O)O1 Amb25299457 [0,0,0,1,0,0|2,0,1]=4 122 B11R1.75 NC(=O)CCC1CCC(=O)N1 Amb25138799 [0,0,0,1,0,0|3,0,0]=4 123 B11R1.75 NC(=O)CCN1CC(=O)CC1 Amb24580305 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.75 O=C1CCC(C1)CCC(=O)Cl Amb24408466 [0,0,0,1,0,0|3,0,0]=4 125 B11R1.75 OC(=O)CCC1CC(=O)CC1 Amb18125974 [0,0,0,1,0,0|2,0,0]=3 126 B11R1.75 OC(=O)CCC1CC(=O)OC1 Amb18644988 [0,0,0,1,0,0|3,0,0]=4 127 B11R1.75 OC(=O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,0|1,0,0]=2 128 B11R1.75 OC(=O)CCC1CCC(=O)S1 Amb24487846 [0,0,0,1,0,0|1,1,0]=3 129 B11R1.75 OC(=O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,0|3,0,0]=4 130 B11R1.75 OC(=O)CC[C@H]1CCC(=O)O1 Amb24487947 [0,0,0,1,0,0|1,0,0]=2 131 B11R1.75 OC(=O)CSC1CCC(=O)N1 Amb2428430 [0,0,0,1,0,0|3,0,0]=4 132 B11R1.75 OC1CCC(C1)CCC(O)=O Amb24666025 [0,0,0,1,0,0|2,0,1]=4 133 B11R1.75 OC1CN(CC1)CCC(O)=O Amb18999852 [0,0,0,1,0,0|2,0,1]=4 134 B11R1.75 O[C@H]1CN(CC1)CCC(O)=O Amb24469468 [0,0,0,1,0,0|2,0,1]=4 135 B11R1.144 O=C1CCC(=O)CCCCC1 Amb25830564 [0,0,0,1,0,0|3,0,0]=4 136 B11R1.144 O=C1CCCCCC(=O)C=C1 Amb25282753 [0,0,0,1,0,0|3,0,0]=4 137 B11R1.157 C=C1CC(CC(O)=O)CCC1 Amb23589688 [0,0,0,1,0,0|3,0,0]=4 138 B11R1.157 CC(=O)CC1CCCC(=O)N1 Amb24634713 [0,0,0,1,0,0|3,0,0]=4 139 B11R1.157 CC(=O)C[C@@H]1CC(=O)CCC1 Amb24486351 [0,0,0,1,0,0|3,0,0]=4 140 B11R1.157 CC1CC(CC(O)=O)SCC1 Amb24644201 [0,0,0,1,0,0|2,0,1]=4 141 B11R1.157 CC1CCCC(CC(O)=O)O1 Amb18126127 [0,0,0,1,0,0|2,0,1]=4 142 B11R1.157 CC=1CCCC(CC(O)=O)C1 Amb25274980 [0,0,0,1,0,0|3,0,0]=4 143 B11R1.157 C[C@@H]1CCC[C@@H](CC(O)=O)O1 Amb24609908 [0,0,0,1,0,0|2,0,1]=4 144 B11R1.157 C[C@H]1CCC[C@@H](CC(O)=O)O1 Amb25201003 [0,0,0,1,0,0|2,0,1]=4 145 B11R1.157 NC(=O)CC1CC(=O)CCN1 Amb24566618 [0,0,0,1,0,0|3,0,0]=4 146 B11R1.157 NC(=O)CC1CCCC(=O)N1 Amb19515424 [0,0,0,1,0,0|3,0,0]=4 147 B11R1.157 OC(=O)CC1CC(=O)NCC1 Amb18200020 [0,0,0,1,0,0|3,0,0]=4 148 B11R1.157 OC(=O)CC1CCCC(=O)N1 Amb18200018 [0,0,0,1,0,0|2,0,0]=3 149 B11R1.157 OC(=O)CC1CCCC(=O)O1 Amb25702813 [0,0,0,1,0,0|1,0,0]=2 150 B11R1.157 OC(=O)CC1CNCC(=O)N1 Amb25800398 [0,0,0,1,0,0|3,0,0]=4 151 B11R1.157 OC(=O)CC1COCC(=O)N1 Amb25253163 [0,0,0,1,0,0|3,0,0]=4 152 B11R1.157 OC(=O)CC=1CCCC(=O)C1 Amb25322003 [0,0,0,1,0,0|2,0,1]=4 153 B11R1.157 OC(=O)CN1CC(=O)CCC1 Amb18200026 [0,0,0,1,0,0|3,0,0]=4 154 B11R1.157 OC(=O)C[C@@H]1CNCC(=O)N1 Amb25324304 [0,0,0,1,0,0|3,0,0]=4 155 B11R1.157 OC(=O)C[C@H]1CCCC(=O)O1 Amb24383646 [0,0,0,1,0,0|1,0,0]=2 156 B11R1.157 OC1CCCC(C1)CC(O)=O Amb18645020 [0,0,0,1,0,0|2,0,1]=4 157 B11R1.157 O[C@@H]1CCC[C@H](C1)CC(O)=O Amb25257413 [0,0,0,1,0,0|2,0,1]=4 158 B11R1.157 O[C@H]1CCC[C@H](C1)CC(O)=O Amb24552923 [0,0,0,1,0,0|2,0,1]=4 159 B11R1.177 CC(=O)C1CSCCC1(C)O Amb24334798 [0,0,0,1,0,0|2,0,1]=4 160 B11R1.177 CC1(O)CCCCC1C(O)=O Amb24511332 [0,0,0,1,0,0|2,0,1]=4 161 B11R1.177 OC(=O)C1CCCCS1(=O)=O Amb20669083 [0,0,0,1,0,0|2,0,1]=4 162 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [0,0,0,1,0,0|3,0,0]=4 163 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [0,0,0,1,0,0|3,0,0]=4 164 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [0,0,0,1,0,0|3,0,0]=4 165 B11R1.178 CC(=O)N1COC[C@@H]1C(O)=O Amb24546404 [0,0,0,1,0,0|2,1,0]=4 166 B11R1.178 CC(=O)N1CSC[C@@H]1C(O)=O Amb18795582 [0,0,0,1,0,0|2,0,0]=3 167 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [0,0,0,1,0,0|2,0,0]=3 168 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [0,0,0,1,0,0|3,0,0]=4 169 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(O)=O Amb23558958 [0,0,0,1,0,0|2,0,0]=3 170 B11R1.178 CS(=O)N1CSC[C@H]1C(O)=O Amb24584899 [0,0,0,1,0,0|3,0,0]=4 171 B11R1.178 NC(=O)C1CCCC1C(O)=O Amb25714211 [0,0,0,1,0,0|2,0,0]=3 172 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb1151099 [0,0,0,1,0,0|3,0,0]=4 173 B11R1.178 NC(=O)N1CCC[C@@H]1C(O)=O Amb18787750 [0,0,0,1,0,0|3,0,0]=4 174 B11R1.178 NC(=O)[C@@H]1CCC[C@H]1C(N)=O Amb25218558 [0,0,0,1,0,0|3,0,0]=4 175 B11R1.178 NC(=O)[C@H]1CCC[C@@H]1C(N)=O Amb24512282 [0,0,0,1,0,0|3,0,0]=4 176 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(N)=O Amb24509119 [0,0,0,1,0,0|3,0,0]=4 177 B11R1.178 OC(=O)C1=CCCC1C(O)=O Amb24358007 [0,0,0,1,0,0|1,0,2]=4 178 B11R1.178 OC(=O)C1CCCN1C(=O)Cl Amb25321978 [0,0,0,1,0,0|3,0,0]=4 179 B11R1.178 OC(=O)C1CCC[C@@H]1C(O)=O Amb25172821 [0,0,0,1,0,0|1,0,0]=2 180 B11R1.178 OC(=O)C1CNCC1C(O)=O Amb22495455 [0,0,0,1,0,0|1,0,0]=2 181 B11R1.178 OC(=O)C1COCC1C(O)=O Amb23571987 [0,0,0,1,0,0|0,1,0]=2 182 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb22741053 [0,0,0,1,0,0|2,0,0]=3 183 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb24060966 [0,0,0,1,0,0|2,0,0]=3 184 B11R1.178 OC(=O)C1OCOC1C(O)=O Amb24513880 [0,0,0,1,0,0|3,0,0]=4 185 B11R1.178 OC(=O)C=1COCC1C(O)=O Amb22356371 [0,0,0,1,0,0|0,1,2]=4 186 B11R1.178 OC(=O)C=1CSCC1C(O)=O Amb18647803 [0,0,0,1,0,0|0,0,2]=3 187 B11R1.178 OC(=O)N1CCCC1C(O)=O Amb24060622 [0,0,0,1,0,0|2,0,0]=3 188 B11R1.178 OC(=O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [0,0,0,1,0,0|3,0,0]=4 189 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)Cl Amb24712700 [0,0,0,1,0,0|2,0,0]=3 190 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb13890829 [0,0,0,1,0,0|1,0,0]=2 191 B11R1.178 OC(=O)[C@@H]1CNC[C@H]1C(O)=O Amb25200351 [0,0,0,1,0,0|1,0,0]=2 192 B11R1.178 OC(=O)[C@@H]1OCO[C@H]1C(O)=O Amb25173184 [0,0,0,1,0,0|3,0,0]=4 193 B11R1.178 OC(=O)[C@H]1CC=C[C@@H]1C(O)=O Amb24551403 [0,0,0,1,0,0|1,0,1]=3 194 B11R1.178 OC(=O)[C@H]1CCC[C@@H]1C(O)=O Amb25173035 [0,0,0,1,0,0|1,0,0]=2 195 B11R1.178 OC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25322060 [0,0,0,1,0,0|0,0,0]=1 196 B11R1.234 OC(=O)CC1CCCS1(=O)=O Amb24703496 [0,0,0,1,0,0|2,0,1]=4 197 B11R1.234 OC(=O)CN1CCCP1(O)=O Amb24356954 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [0,0,0,1,0,0|2,0,0]=3 199 B11R1.497 O=C1CCCCC(C1)C(=O)O Amb10603800 [0,0,0,1,0,0|2,0,0]=3 200 B11R1.497 OC(=O)C1CCCCC(=O)N1 Amb19515429 [0,0,0,1,0,0|2,0,0]=3 201 B11R1.497 OC(=O)C1COCCC(=O)N1 Amb24417172 [0,0,0,1,0,0|1,1,0]=3 202 B11R1.497 OC(=O)C1CSCCC(=O)N1 Amb21937059 [0,0,0,1,0,0|1,0,0]=2 203 B11R1.497 OC(=O)[C@@H]1CCCNC(=O)N1 Amb24692630 [0,0,0,1,0,0|3,0,0]=4 204 B11R1.497 OC(=O)[C@@H]1CSCCC(=O)N1 Amb24469319 [0,0,0,1,0,0|1,0,0]=2 205 B11R1.708 CC(=O)N1CCC1CC(O)=O Amb24429021 [0,0,0,1,0,0|3,0,0]=4 206 B11R1.708 CC(=O)OC1CCC1C(O)=O Amb25095808 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.708 CC(=O)O[C@H]1CC[C@H]1C(O)=O Amb24519491 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.708 NC(=O)N1CCC1CC(O)=O Amb24727755 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.708 NC(=O)N[C@@H]1CC[C@@H]1C(O)=O Amb24651044 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.708 OC(=O)CC1CCC1C(O)=O Amb25758770 [0,0,0,1,0,0|1,0,0]=2 211 B11R1.708 OC(=O)C[C@@H]1CC[C@H]1C(O)=O Amb24612096 [0,0,0,1,0,0|1,0,0]=2 212 B11R1.708 OC(=O)C[C@@H]1CN[C@H]1C(O)=O Amb19131121 [0,0,0,1,0,0|2,0,0]=3 213 B11R1.711 CC(=O)CCC1CC1C(O)=O Amb25384585 [0,0,0,1,0,0|2,0,0]=3 214 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(O)=O Amb25384133 [0,0,0,1,0,0|2,0,0]=3 215 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(O)=O Amb25383057 [0,0,0,1,0,0|2,0,0]=3 216 B11R1.711 CC(=O)NC[C@H]1C[C@H]1C(O)=O Amb25277428 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.711 CC(=O)OC[C@H]1C[C@@H]1C(O)=O Amb24763031 [0,0,0,1,0,0|3,0,0]=4 218 B9R0.55 C=C(Cl)CCCCC(N)=O Amb24358043 [0,0,0,0,1,0|3,0,0]=4 219 B9R0.55 CC(=C)CCCCC(N)=O Amb24695037 [0,0,0,0,1,0|3,0,0]=4 220 B9R0.55 CC(=C)CCOCC(O)=O Amb18644114 [0,0,0,0,1,0|2,1,0]=4 221 B9R0.55 CC(=O)CCCC=C(C)O Amb24627452 [0,0,0,0,1,0|2,0,1]=4 222 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [0,0,0,0,1,0|2,0,0]=3 223 B9R0.55 CC(=O)CCCCC(C)=C Amb24553457 [0,0,0,0,1,0|3,0,0]=4 224 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [0,0,0,0,1,0|2,0,0]=3 225 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [0,0,0,0,1,0|3,0,0]=4 226 B9R0.55 CC(=O)CCCOC(=O)C Amb1033031 [0,0,0,0,1,0|3,0,0]=4 227 B9R0.55 CC(=O)CCCOC(=O)Cl Amb25146796 [0,0,0,0,1,0|3,0,0]=4 228 B9R0.55 CC(=O)CCCSC(C)=O Amb24662493 [0,0,0,0,1,0|3,0,0]=4 229 B9R0.55 CC(=O)CCC\C=C(\C)/O Amb24546380 [0,0,0,0,1,0|2,0,1]=4 230 B9R0.55 CC(=O)CCSCC(C)=C Amb24340243 [0,0,0,0,1,0|3,0,0]=4 231 B9R0.55 CC(=O)CCSCC(N)=O Amb24733496 [0,0,0,0,1,0|2,0,0]=3 232 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [0,0,0,0,1,0|1,0,0]=2 233 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,1,0|1,0,2]=4 234 B9R0.55 CC(=O)CSCCC(=S)N Amb17503258 [0,0,0,0,1,0|2,1,0]=4 235 B9R0.55 CC(=O)CSCCC(C)=O Amb24361719 [0,0,0,0,1,0|2,0,0]=3 236 B9R0.55 CC(=O)CSSCC(C)=O Amb24509319 [0,0,0,0,1,0|3,0,0]=4 237 B9R0.55 CC(=O)OCCCC(=O)Cl Amb25174238 [0,0,0,0,1,0|3,0,0]=4 238 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [0,0,0,0,1,0|3,0,0]=4 239 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [0,0,0,0,1,0|2,0,0]=3 240 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [0,0,0,0,1,0|2,0,1]=4 241 B9R0.55 CC(Br)CCCCC(O)=O Amb25309392 [0,0,0,0,1,0|2,0,1]=4 242 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [0,0,0,0,1,0|2,0,1]=4 243 B9R0.55 CC(CCCCC(=O)O)C Amb10576144 [0,0,0,0,1,0|2,0,1]=4 244 B9R0.55 CC(CCSCC(=O)O)C Amb1137397 [0,0,0,0,1,0|2,0,1]=4 245 B9R0.55 CC(Cl)=CCSCC(O)=O Amb25295452 [0,0,0,0,1,0|2,0,1]=4 246 B9R0.55 CC(Cl)CCCCC(O)=O Amb18646185 [0,0,0,0,1,0|2,0,1]=4 247 B9R0.55 CC(N)CCCCC(O)=O Amb18644199 [0,0,0,0,1,0|2,0,1]=4 248 B9R0.55 CC(N)CCCCC(O)=O Amb19515386 [0,0,0,0,1,0|2,0,1]=4 249 B9R0.55 CC(N)CSCCC(O)=O Amb24435179 [0,0,0,0,1,0|2,0,1]=4 250 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [0,0,0,0,1,0|1,0,1]=3 251 B9R0.55 CC(O)CCNCC(O)=O Amb25369892 [0,0,0,0,1,0|2,0,1]=4 252 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [0,0,0,0,1,0|1,1,1]=4 253 B9R0.55 CC(O)CSCCC(O)=O Amb18792572 [0,0,0,0,1,0|1,0,1]=3 254 B9R0.55 CN(C)CCCCC(O)=O Amb19275569 [0,0,0,0,1,0|3,0,0]=4 255 B9R0.55 CN(CCSCC(=O)O)C Amb1138164 [0,0,0,0,1,0|3,0,0]=4 256 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [0,0,0,0,1,0|2,0,0]=3 257 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [0,0,0,0,1,0|2,0,0]=3 258 B9R0.55 CS(=O)CCNCC(O)=O Amb24396496 [0,0,0,0,1,0|3,0,0]=4 259 B9R0.55 CS(=O)CCOCC(O)=O Amb24600087 [0,0,0,0,1,0|2,1,0]=4 260 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [0,0,0,0,1,0|3,0,0]=4 261 B9R0.55 C[C@@H](O)CCCCC(C)=O Amb25114746 [0,0,0,0,1,0|2,0,1]=4 262 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [0,0,0,0,1,0|1,0,1]=3 263 B9R0.55 C[C@H](N)CCCCC(O)=O Amb25229790 [0,0,0,0,1,0|2,0,1]=4 264 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [0,0,0,0,1,0|1,0,1]=3 265 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [0,0,0,0,1,0|2,0,0]=3 266 B9R0.55 NC(=N)CNCCC(O)=O Amb24394430 [0,0,0,0,1,0|3,0,0]=4 267 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [0,0,0,0,1,0|3,0,0]=4 268 B9R0.55 NC(=O)CCCOP(O)=O Amb25078195 [0,0,0,0,1,0|3,0,0]=4 269 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [0,0,0,0,1,0|1,1,0]=3 270 B9R0.55 NC(=O)COCCC(N)=O Amb25063003 [0,0,0,0,1,0|2,1,0]=4 271 B9R0.55 NC(=O)CSCC[N+]([O-])=O Amb25048189 [0,0,0,0,1,0|2,0,1]=4 272 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,1,0|1,0,2]=4 273 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,1,0|1,0,2]=4 274 B9R0.55 NC(=S)CCSCC(N)=O Amb24472463 [0,0,0,0,1,0|2,1,0]=4 275 B9R0.55 OB(O)CCSCC(O)=O Amb24652590 [0,0,0,0,1,0|1,0,1]=3 276 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,1,0|1,1,1]=4 277 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,1,0|0,0,2]=3 278 B9R0.55 OC(=O)CCCC=C(Cl)Cl Amb24441631 [0,0,0,0,1,0|2,0,1]=4 279 B9R0.55 OC(=O)CCCCC(Cl)Cl Amb24482330 [0,0,0,0,1,0|2,0,1]=4 280 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,1,0|0,0,0]=1 281 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,1,0|0,0,0]=1 282 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,1,0|0,0,0]=1 283 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,1,0|0,0,0]=1 284 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,1,0|0,0,0]=1 285 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,1,0|0,0,0]=1 286 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,1,0|0,0,0]=1 287 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,1,0|0,0,0]=1 288 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,1,0|0,0,0]=1 289 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,1,0|0,0,0]=1 290 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [0,0,0,0,1,0|2,0,0]=3 291 B9R0.55 OC(=O)CCCNC(S)=S Amb24482221 [0,0,0,0,1,0|1,2,0]=4 292 B9R0.55 OC(=O)CCSCC(F)F Amb18793590 [0,0,0,0,1,0|2,0,1]=4 293 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,1,0|0,0,2]=3 294 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,1,0|1,0,0]=2 295 B9R0.55 OC(=O)CNCCS(=O)=O Amb25249489 [0,0,0,0,1,0|2,0,1]=4 296 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,1,0|2,0,0]=3 297 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,1,0|0,1,0]=2 298 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,1,0|0,0,0]=1 299 B9R0.55 OC(=O)CSCCC(=S)N Amb17503232 [0,0,0,0,1,0|1,1,0]=3 300 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,1,0|0,0,2]=3 301 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,1,0|0,0,2]=3 302 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,1,0|0,0,0]=1 303 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [0,0,0,0,1,0|0,0,1]=2 304 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22168121 [0,0,0,0,1,0|0,0,2]=3 305 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22230380 [0,0,0,0,1,0|0,0,2]=3 306 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22732848 [0,0,0,0,1,0|0,0,2]=3 307 B9R0.55 [O-]C(=O)CSSCC([O-])=O Amb24323547 [0,0,0,0,1,0|1,0,2]=4 308 B9R0.55 [O-][N+](=O)CCCCC(O)=O Amb24596293 [0,0,0,0,1,0|1,0,1]=3 309 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,0,1|3,0,0]=4 310 B11R0.30 CC(=O)SCCCCCC(O)=O Amb22337829 [0,0,0,0,0,1|2,0,0]=3 311 B11R0.30 NC(=N)NCCCCCC(O)=O Amb20621391 [0,0,0,0,0,1|3,0,0]=4 312 B11R0.30 NC(=O)CCSSCCC(=O)N Amb2405304 [0,0,0,0,0,1|2,0,0]=3 313 B11R0.30 O=C(Cl)CCSSCCC(=O)Cl Amb24090125 [0,0,0,0,0,1|2,0,0]=3 314 B11R0.30 OC(=O)CC#CC#CCC(O)=O Amb24657133 [0,0,0,0,0,1|1,0,2]=4 315 B11R0.30 OC(=O)CCCCCNC(=O)C Amb1208026 [0,0,0,0,0,1|2,0,0]=3 316 B11R0.30 OC(=O)CCNCCCC(=O)O Amb10606894 [0,0,0,0,0,1|1,0,0]=2 317 B11R0.30 OC(=O)CCSCCCC(=O)O Amb17501237 [0,0,0,0,0,1|0,0,0]=1 318 B11R0.30 O[13C](=O)CC\C=C\CC[13C](=O)O Amb17618814 [0,0,0,0,0,1|1,0,0]=2 319 B11R0.30 [O-]C(=O)CCSSCCC([O-])=O Amb22338299 [0,0,0,0,0,1|0,0,2]=3 320 B8R0.4 C=CCCSCCCO Amb24729883 [2,0,0,0,0,0|1,0,1]=4 321 B8R0.4 CCCCSCCC=O Amb24729974 [2,0,0,0,0,0|1,0,1]=4 322 B8R0.4 O=CCCCCCC=O Amb22235539 [2,0,0,0,0,0|1,0,0]=3 323 B8R0.4 O=CCCSCCC=O Amb25730158 [2,0,0,0,0,0|0,0,0]=2 324 B8R0.4 OCCCCCCC=O Amb24711951 [2,0,0,0,0,0|1,0,1]=4 325 B8R0.4 OCCCSCCC=O Amb24375002 [2,0,0,0,0,0|0,0,1]=3 326 B8R0.7 BrCCCCCC(=O)O Amb2081955 [2,0,0,0,0,0|1,0,1]=4 327 B8R0.7 C=CCCCCC(=O)Cl Amb24528269 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.7 C=CCCNCC(O)=O Amb25308652 [2,0,0,0,0,0|2,0,0]=4 329 B8R0.7 C=CCSCCC(N)=O Amb25828040 [2,0,0,0,0,0|1,0,1]=4 330 B8R0.7 C=CNCCCC(O)=O Amb25146209 [2,0,0,0,0,0|2,0,0]=4 331 B8R0.7 CC(=O)CCCCC=C Amb24546961 [2,0,0,0,0,0|2,0,0]=4 332 B8R0.7 CC(=O)CCCCC=O Amb18642609 [2,0,0,0,0,0|1,0,0]=3 333 B8R0.7 CC(=O)CCNCCO Amb24481900 [2,0,0,0,0,0|2,0,0]=4 334 B8R0.7 CC(=O)CCOCCO Amb24691100 [2,0,0,0,0,0|1,1,0]=4 335 B8R0.7 CC(=O)CSCCC=C Amb24481903 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.7 CC(=O)NCCCC=O Amb22896811 [2,0,0,0,0,0|2,0,0]=4 337 B8R0.7 CC(=O)OCSCCO Amb24733466 [2,0,0,0,0,0|2,0,0]=4 338 B8R0.7 CC(=O)SCCCC=O Amb22524698 [2,0,0,0,0,0|2,0,0]=4 339 B8R0.7 CC(O)CCCCC=O Amb25366189 [2,0,0,0,0,0|1,0,1]=4 340 B8R0.7 CCCCSCC(=O)O Amb1138789 [2,0,0,0,0,0|1,0,1]=4 341 B8R0.7 CCCNCCC(=O)O Amb2372065 [2,0,0,0,0,0|1,0,1]=4 342 B8R0.7 CCCNCCC(O)=O Amb18633174 [2,0,0,0,0,0|1,0,1]=4 343 B8R0.7 CCCSCCC(N)=O Amb24333543 [2,0,0,0,0,0|1,0,1]=4 344 B8R0.7 CCCSSCC(O)=O Amb25209982 [2,0,0,0,0,0|1,0,1]=4 345 B8R0.7 CNCCCCC(=O)O Amb10605773 [2,0,0,0,0,0|2,0,0]=4 346 B8R0.7 CNCCCCC(O)=O Amb24340485 [2,0,0,0,0,0|2,0,0]=4 347 B8R0.7 CS(=O)CCSCCO Amb24538899 [2,0,0,0,0,0|2,0,0]=4 348 B8R0.7 CSCCCCC(=O)O Amb17503764 [2,0,0,0,0,0|2,0,0]=4 349 B8R0.7 C[C@@H](O)CCCCC=O Amb22896766 [2,0,0,0,0,0|1,0,1]=4 350 B8R0.7 C\C=C/CCCC(O)=O Amb25314407 [2,0,0,0,0,0|1,0,1]=4 351 B8R0.7 C\C=C\CCCC(O)=O Amb18642615 [2,0,0,0,0,0|1,0,1]=4 352 B8R0.7 N#CCCCCC(=O)O Amb17593332 [2,0,0,0,0,0|1,0,1]=4 353 B8R0.7 N#CCCSCC(=O)O Amb17502363 [2,0,0,0,0,0|1,0,1]=4 354 B8R0.7 NC(=O)CCCCCO Amb22524369 [2,0,0,0,0,0|1,0,1]=4 355 B8R0.7 NC(=O)CCCNC=O Amb24725181 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.7 NC(=O)CCNCCO Amb19960060 [2,0,0,0,0,0|2,0,0]=4 357 B8R0.7 NC(=O)CCSCCS Amb25248299 [2,0,0,0,0,0|1,1,0]=4 358 B8R0.7 NC(=O)CSCCC=O Amb25784424 [2,0,0,0,0,0|1,0,0]=3 359 B8R0.7 NCCCCCC(=O)O Amb17607928 [2,0,0,0,0,0|1,0,1]=4 360 B8R0.7 NCCCCCC(=O)O Amb1905625 [2,0,0,0,0,0|1,0,1]=4 361 B8R0.7 NCCCSCC(=O)O Amb17500676 [2,0,0,0,0,0|1,0,1]=4 362 B8R0.7 NCCNCCC(O)=O Amb20668304 [2,0,0,0,0,0|2,0,0]=4 363 B8R0.7 NCCNCCC(O)=O Amb22058790 [2,0,0,0,0,0|2,0,0]=4 364 B8R0.7 NCCOCCC(O)=O Amb18630461 [2,0,0,0,0,0|1,1,0]=4 365 B8R0.7 NCCSCCC(O)=O Amb21988844 [2,0,0,0,0,0|1,0,0]=3 366 B8R0.7 NOCCCCC(=O)O Amb10975955 [2,0,0,0,0,0|2,0,0]=4 367 B8R0.7 O=C(Cl)CCSCCCl Amb25361104 [2,0,0,0,0,0|2,0,0]=4 368 B8R0.7 O=CCCCOC(=O)C Amb17593367 [2,0,0,0,0,0|2,0,0]=4 369 B8R0.7 O=COCCCC(=O)C Amb1033032 [2,0,0,0,0,0|2,0,0]=4 370 B8R0.7 OC(=O)C#CCCC=O Amb24549556 [2,0,0,0,0,0|0,0,2]=4 371 B8R0.7 OC(=O)CCCCC=O Amb18642763 [2,0,0,0,0,0|0,0,0]=2 372 B8R0.7 OC(=O)CCCCCCl Amb18796646 [2,0,0,0,0,0|1,0,1]=4 373 B8R0.7 OC(=O)CCCCCI Amb22736492 [2,0,0,0,0,0|1,0,1]=4 374 B8R0.7 OC(=O)CCCCCS Amb18644374 [2,0,0,0,0,0|0,1,1]=4 375 B8R0.7 OC(=O)CCCNC=O Amb18305404 [2,0,0,0,0,0|1,0,0]=3 376 B8R0.7 OC(=O)CCC\C=C\Br Amb24518554 [2,0,0,0,0,0|1,0,1]=4 377 B8R0.7 OC(=O)CCC\C=C\Cl Amb18644381 [2,0,0,0,0,0|1,0,1]=4 378 B8R0.7 OC(=O)CCNCN=O Amb25311838 [2,0,0,0,0,0|2,0,0]=4 379 B8R0.7 OC(=O)CCOCCBr Amb24057757 [2,0,0,0,0,0|1,1,0]=4 380 B8R0.7 OC(=O)CCSCCCl Amb24097450 [2,0,0,0,0,0|1,0,0]=3 381 B8R0.7 OC(=O)CCSCCS Amb18126456 [2,0,0,0,0,0|0,1,0]=3 382 B8R0.7 OC(=O)CSCCCBr Amb25771711 [2,0,0,0,0,0|1,0,1]=4 383 B8R0.7 OC(=O)CSCCCCl Amb18126548 [2,0,0,0,0,0|1,0,1]=4 384 B8R0.7 OC(=O)CSCCCF Amb25676986 [2,0,0,0,0,0|1,0,1]=4 385 B8R0.7 OC(=O)CS\C=C\C=O Amb25230965 [2,0,0,0,0,0|0,0,2]=4 386 B8R0.7 OC(=O)C\C=C/CC=O Amb25050861 [2,0,0,0,0,0|0,0,2]=4 387 B8R0.7 OCCCSCC(=O)C Amb17502845 [2,0,0,0,0,0|1,0,1]=4 388 B8R0.7 OCCNCCC(=O)O Amb1110010 [2,0,0,0,0,0|1,0,0]=3 389 B8R0.7 OC\C=C\CCC(O)=O Amb24639124 [2,0,0,0,0,0|1,0,1]=4 390 B8R0.7 [O-]C(=O)CCCCCO Amb22491268 [2,0,0,0,0,0|0,0,2]=4 391 B10R0.4 C=CCCC#CCCC(=O)O Amb16226811 [1,1,0,0,0,0|2,0,0]=4 392 B10R0.4 CC(=O)NCCCCCC=O Amb24113371 [1,1,0,0,0,0|2,0,0]=4 393 B10R0.4 COCCCOCCC(O)=O Amb18180046 [1,1,0,0,0,0|0,1,1]=4 394 B10R0.4 N#CCCSCCCC(=O)O Amb17502410 [1,1,0,0,0,0|1,0,1]=4 395 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [1,1,0,0,0,0|1,0,1]=4 396 B10R0.4 OCCCSCCCC(=O)O Amb17502860 [1,1,0,0,0,0|0,0,1]=3 397 B10R0.74 C=CCCCCCC(=O)OC Amb2369960 [1,1,0,0,0,0|2,0,0]=4 398 B10R0.74 O=CCCCCCC(=O)OC Amb16233599 [1,1,0,0,0,0|1,0,0]=3 399 B10R0.74 OCCCCCCC(=O)OC Amb13887312 [1,1,0,0,0,0|1,0,1]=4 400 B10R0.75 C=CCCCC[C@@H](N)C(O)=O Amb22747247 [1,1,0,0,0,0|2,0,0]=4 401 B10R0.75 C=CCCCC[C@H](N)C(O)=O Amb22270014 [1,1,0,0,0,0|2,0,0]=4 402 B10R0.75 NCCCSC[C@@H](N)C(O)=O Amb22454567 [1,1,0,0,0,0|1,0,1]=4 403 B10R0.75 N[C@@H](CSCCC#N)C(O)=O Amb19131338 [1,1,0,0,0,0|1,0,1]=4 404 B10R0.15 OC(=O)CCCCS(=O)(=O)C Amb17503797 [0,1,0,0,1,0|1,0,1]=4 405 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [0,1,0,0,1,0|0,0,2]=4 406 B10R0.96 CC(=O)NCC(C)CC(O)=O Amb25385229 [0,1,0,0,1,0|2,0,0]=4 407 B10R0.96 CC(=O)NC[C@H](C)CC(O)=O Amb25384945 [0,1,0,0,1,0|2,0,0]=4 408 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [0,1,0,0,1,0|1,0,1]=4 409 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [0,1,0,0,1,0|2,0,0]=4 410 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,1,0,0,1,0|1,0,0]=3 411 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,1,0,0,1,0|1,0,0]=3 412 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,1,0,0,1,0|0,0,0]=2 413 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,1,0,0,1,0|0,0,0]=2 414 B10R0.96 OC(=O)CCC(=O)CC(=O)C Amb10843902 [0,1,0,0,1,0|1,0,1]=4 415 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [0,1,0,0,1,0|0,0,1]=3 416 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,1,0,0,1,0|0,0,0]=2 417 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [0,1,0,0,1,0|1,0,1]=4 418 B10R0.96 OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3] Amb17620214 [0,1,0,0,1,0|1,0,1]=4 419 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [0,1,0,0,1,0|0,0,0]=2 420 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,1,0,0,1,0|2,0,0]=4 421 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,1,0,0,1,0|2,0,0]=4 422 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,1,0,0,1,0|2,0,0]=4 423 B10R0.98 CC(=O)NSCC(C)C(O)=O Amb21929061 [0,1,0,0,1,0|2,0,0]=4 424 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,1,0,0,1,0|2,0,0]=4 425 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl Amb22230918 [0,1,0,0,1,0|2,0,0]=4 426 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,1,0,0,1,0|0,0,0]=2 427 B10R0.98 CC(NCCC(O)=O)C(O)=O Amb18098310 [0,1,0,0,1,0|1,0,0]=3 428 B10R0.98 CC(S\C=C\C(O)=O)C(O)=O Amb18647961 [0,1,0,0,1,0|0,0,2]=4 429 B10R0.98 C\C(=C/CCC(O)=O)\C(O)=O Amb25385138 [0,1,0,0,1,0|0,0,2]=4 430 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,1,0,0,1,0|1,0,0]=3 431 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,1,0,0,1,0|2,0,0]=4 432 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,1,0,0,1,0|2,0,0]=4 433 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,1,0,0,1,0|2,0,0]=4 434 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,1,0,0,1,0|2,0,0]=4 435 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,1,0,0,1,0|2,0,0]=4 436 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,1,0,0,1,0|0,0,0]=2 437 B10R0.98 NC(CCCC([O-])=O)C([O-])=O Amb22053651 [0,1,0,0,1,0|0,0,2]=4 438 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,1,0,0,1,0|0,0,0]=2 439 B10R0.98 NC(C\C=C\C(O)=O)C(O)=O Amb18126177 [0,1,0,0,1,0|0,0,2]=4 440 B10R0.98 NC(N=NCC(O)=O)C(O)=O Amb25384237 [0,1,0,0,1,0|2,0,0]=4 441 B10R0.98 NC(\N=N/CC(O)=O)C(O)=O Amb25383166 [0,1,0,0,1,0|2,0,0]=4 442 B10R0.98 N[C@@H](C\C=C\C(O)=O)C(O)=O Amb24763009 [0,1,0,0,1,0|0,0,2]=4 443 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,1,0,0,1,0|0,0,0]=2 444 B10R0.98 N[C@H](C\C=C\C(O)=O)C(O)=O Amb25383155 [0,1,0,0,1,0|0,0,2]=4 445 B10R0.98 OC(=O)C(O)\C=C\CC(O)=O Amb25383439 [0,1,0,0,1,0|0,0,2]=4 446 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,1,0,0,1,0|0,0,0]=2 447 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,1,0,0,1,0|0,0,0]=2 448 B10R0.98 OC(=O)CCSC(C(=O)O)C Amb17501234 [0,1,0,0,1,0|0,0,0]=2 449 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,1,0,0,1,0|0,0,0]=2 450 B10R0.98 OC(=O)\C(\O)=C/SCC(O)=O Amb25386410 [0,1,0,0,1,0|0,0,2]=4 451 B10R0.98 [O-]C(=O)CCCC(O)C([O-])=O Amb22284811 [0,1,0,0,1,0|0,0,2]=4 452 B12R0.42 CC(=O)NCCCC[C@@H](N)C(O)=O Amb24323525 [0,1,0,0,0,1|2,0,0]=4 453 B12R0.42 NC(=O)NCCCC[C@H](C(=O)O)N Amb16183831 [0,1,0,0,0,1|2,0,0]=4 454 B12R0.42 N[C@@H](CCCCCC(O)=O)C(O)=O Amb17678794 [0,1,0,0,0,1|1,0,0]=3 455 B12R0.42 OC(=O)CCCCCC(C(=O)O)N Amb10807509 [0,1,0,0,0,1|1,0,0]=3 456 B12R0.44 CN(CCC(=O)O)CCCC(=O)O Amb17561253 [0,1,0,0,0,1|1,0,0]=3 457 B12R0.44 OC(=O)CCC(=O)NCCC(O)=O Amb19060266 [0,1,0,0,0,1|1,0,0]=3 458 B12R0.44 OC(=O)CSCC(=O)NCC(O)=O Amb24769216 [0,1,0,0,0,1|2,0,0]=4 459 B12R0.184 CC(=O)OCCCCCC(=O)OC Amb22729208 [0,1,0,0,0,1|2,0,0]=4 460 B12R0.184 CCC(=O)NCCCCCC(=O)O Amb1137874 [0,1,0,0,0,1|2,0,0]=4 461 B12R0.184 ClCC(=O)NCCCCCC(=O)O Amb2282836 [0,1,0,0,0,1|2,0,0]=4 462 B12R0.258 N[C@@H](CC(O)=O)C(=O)NCC(O)=O Amb22745769 [0,2,0,0,0,0|2,0,0]=4 463 B12R0.697 OC(=O)CCCS(=O)(=O)CC(=O)O Amb17503648 [0,2,0,0,0,0|2,0,0]=4 464 B12R0.139 NC(CC(=O)NCC(O)=O)C(O)=O Amb22352693 [0,2,0,0,0,0|2,0,0]=4 465 B12R0.186 CC(=O)C(C)CCCCC(=O)OC Amb20669329 [0,2,0,0,0,0|2,0,0]=4 466 B12R0.238 CCC(C(=O)O)SCCCC(=O)O Amb17501368 [0,2,0,0,0,0|2,0,0]=4 467 B12R0.627 CC(CSC[C@@H](N)C(O)=O)C(O)=O Amb24117976 [0,2,0,0,0,0|0,0,0]=2 468 B12R0.627 N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O Amb22750715 [0,2,0,0,0,0|1,0,0]=3 469 B12R0.627 N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O Amb22388589 [0,2,0,0,0,0|1,0,0]=3 470 B12R0.627 N[C@@H](CSC[C@H](N)C(O)=O)C(O)=O Amb22800833 [0,2,0,0,0,0|0,0,0]=2 471 B12R0.189 COC(=O)CNC(=O)CCC(O)=O Amb18330061 [0,2,0,0,0,0|2,0,0]=4 472 B12R0.388 C[Si](C)(CCC(O)=O)CCC(O)=O Amb22346891 [0,2,0,0,0,0|1,0,0]=3 473 B12R0.388 OC(=O)CCP(=O)(CCC(=O)O)O Amb1789457 [0,2,0,0,0,0|1,0,0]=3 474 B12R0.183 COC(=O)CCNCCC(=O)OC Amb18324245 [0,2,0,0,0,0|1,0,0]=3 475 B12R0.183 NNC(=O)CCSCCC(=O)NN Amb1150527 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.10 O=CCC1CC(=O)CCC1 Amb18643561 [1,0,0,1,0,0|2,0,0]=4 477 B10R1.10 O=CCC1CCCC(=O)O1 Amb24408366 [1,0,0,1,0,0|1,0,0]=3 478 B10R1.10 O=CC[C@@H]1CC(=O)CCC1 Amb25324972 [1,0,0,1,0,0|2,0,0]=4 479 B10R1.10 OCCC1CCCC(=O)O1 Amb25317310 [1,0,0,1,0,0|1,0,1]=4 480 B10R1.16 C=CCCC1CCC(=O)O1 Amb24617275 [1,0,0,1,0,0|2,0,0]=4 481 B10R1.16 O=CCCC1CCC(=O)N1 Amb24461449 [1,0,0,1,0,0|2,0,0]=4 482 B10R1.16 O=CCCC1CCC(=O)O1 Amb18643847 [1,0,0,1,0,0|1,0,0]=3 483 B10R1.16 O=CCC[C@H]1CC(=O)CC1 Amb24478377 [1,0,0,1,0,0|2,0,0]=4 484 B10R1.16 OCCC[C@@H]1CCC(=O)O1 Amb24352318 [1,0,0,1,0,0|1,0,1]=4 485 B10R1.18 OC(=O)CC1CCCC=C1 Amb18124573 [1,0,0,1,0,0|2,0,0]=4 486 B10R1.18 OC(=O)CC1CCCCO1 Amb1091980 [1,0,0,1,0,0|1,0,1]=4 487 B10R1.18 OC(=O)CC1NCCCS1 Amb18645532 [1,0,0,1,0,0|1,0,1]=4 488 B10R1.18 OC(=O)C[C@@H]1CCCC=C1 Amb24427722 [1,0,0,1,0,0|2,0,0]=4 489 B10R1.18 OC(=O)C[C@@H]1CCCCO1 Amb24361310 [1,0,0,1,0,0|1,0,1]=4 490 B10R1.18 OC(=O)C[C@H]1CCCC=C1 Amb25789979 [1,0,0,1,0,0|2,0,0]=4 491 B10R1.39 C=CC1CCCC1C(O)=O Amb18643536 [1,0,0,1,0,0|2,0,0]=4 492 B10R1.39 C=C[C@@H]1CCC[C@@H]1C(O)=O Amb25174791 [1,0,0,1,0,0|2,0,0]=4 493 B10R1.39 CC(=O)C1CCCC1C=O Amb24611185 [1,0,0,1,0,0|2,0,0]=4 494 B10R1.39 O=NN1CSCC1C(=O)O Amb17618626 [1,0,0,1,0,0|2,0,0]=4 495 B10R1.39 O=NN1CSC[C@H]1C(=O)O Amb17618627 [1,0,0,1,0,0|2,0,0]=4 496 B10R1.39 OC(=O)C1CCCC1C=O Amb24480689 [1,0,0,1,0,0|1,0,0]=3 497 B10R1.39 OC(=O)C1CCCN1C=O Amb18944572 [1,0,0,1,0,0|2,0,0]=4 498 B10R1.39 OC(=O)C1CSCN1C=O Amb18944574 [1,0,0,1,0,0|1,0,0]=3 499 B10R1.39 OC(=O)[C@@H]1CCCN1C=O Amb24053316 [1,0,0,1,0,0|2,0,0]=4 500 B10R1.39 OC(=O)[C@@H]1CSCN1C=O Amb18180005 [1,0,0,1,0,0|1,0,0]=3 501 B10R1.39 OC(=O)[C@H]1CCCN1C=O Amb25282462 [1,0,0,1,0,0|2,0,0]=4 502 B10R1.39 OCC1CCCC1C(O)=O Amb25731866 [1,0,0,1,0,0|1,0,1]=4 503 B10R1.39 OCN1CSCC1C(O)=O Amb24482205 [1,0,0,1,0,0|1,0,1]=4 504 B10R1.39 OC[C@H]1CCC[C@H]1C(O)=O Amb25174802 [1,0,0,1,0,0|1,0,1]=4 505 B10R1.61 C=C1CCCCC1C(O)=O Amb18643581 [1,0,0,1,0,0|2,0,0]=4 506 B10R1.61 CC(=O)C1CSCCC1=O Amb24079580 [1,0,0,1,0,0|1,0,0]=3 507 B10R1.61 NC(=O)C1CNCCC1=O Amb22728576 [1,0,0,1,0,0|2,0,0]=4 508 B10R1.61 O=C1CCCCC1C(=O)O Amb16230759 [1,0,0,1,0,0|1,0,0]=3 509 B10R1.61 O=C1CCCCC1C(=O)[Na] Amb25066428 [1,0,0,1,0,0|2,0,0]=4 510 B10R1.61 O=C1CCCNC1C(=O)O Amb10602345 [1,0,0,1,0,0|2,0,0]=4 511 B10R1.61 OC(=O)C1CCCCN1O Amb24445203 [1,0,0,1,0,0|2,0,0]=4 512 B10R1.61 OC(=O)C1CCCNC1=O Amb15701225 [1,0,0,1,0,0|2,0,0]=4 513 B10R1.61 OC(=O)C1COCCC1=O Amb25116475 [1,0,0,1,0,0|0,1,0]=3 514 B10R1.61 OC(=O)C=1CSCCC1Cl Amb25830464 [1,0,0,1,0,0|1,0,1]=4 515 B10R1.61 OC(=O)[C@@H]1CCCNC1=O Amb25795772 [1,0,0,1,0,0|2,0,0]=4 516 B10R1.61 OC1CCNCC1C(O)=O Amb18124719 [1,0,0,1,0,0|1,0,1]=4 517 B10R1.61 OC1CCSCC1C(O)=O Amb24524336 [1,0,0,1,0,0|0,0,1]=3 518 B10R1.61 O[C@@H]1CCCC[C@H]1C(=O)O Amb16204296 [1,0,0,1,0,0|1,0,1]=4 519 B10R1.61 O[C@@H]1CCNC[C@H]1C(O)=O Amb25174782 [1,0,0,1,0,0|1,0,1]=4 520 B10R1.61 O[C@H]1CCCC[C@@H]1C(O)=O Amb25260394 [1,0,0,1,0,0|1,0,1]=4 521 B10R1.64 C=C1CCCC1CC(O)=O Amb25855116 [1,0,0,1,0,0|2,0,0]=4 522 B10R1.64 CC(=O)CC1CCCC1=O Amb22363747 [1,0,0,1,0,0|2,0,0]=4 523 B10R1.64 CC(=O)NC1SCCC1=O Amb24072235 [1,0,0,1,0,0|2,0,0]=4 524 B10R1.64 NC(=O)CC1SCNC1=O Amb24100714 [1,0,0,1,0,0|2,0,0]=4 525 B10R1.64 O=C1CCCC1CC(=O)Cl Amb25262668 [1,0,0,1,0,0|2,0,0]=4 526 B10R1.64 OC(=O)CC1CCCC1=O Amb18643831 [1,0,0,1,0,0|1,0,0]=3 527 B10R1.64 OC(=O)CC1CCNC1=O Amb18831604 [1,0,0,1,0,0|2,0,0]=4 528 B10R1.64 OC(=O)CC1CCOC1=O Amb18644064 [1,0,0,1,0,0|2,0,0]=4 529 B10R1.64 OC(=O)CC1COCC1=O Amb24479611 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.64 OC(=O)CN1CCCC1=O Amb1154197 [1,0,0,1,0,0|2,0,0]=4 531 B10R1.64 OC1CCCC1CC(O)=O Amb18202404 [1,0,0,1,0,0|1,0,1]=4 532 B10R1.64 OC1CCNC1CC(O)=O Amb20242318 [1,0,0,1,0,0|1,0,1]=4 533 B10R1.64 O[C@@H]1CCN[C@@H]1CC(O)=O Amb20242371 [1,0,0,1,0,0|1,0,1]=4 534 B10R1.64 O[C@@H]1CCN[C@H]1CC(O)=O Amb20242370 [1,0,0,1,0,0|1,0,1]=4 535 B10R1.64 O[C@H]1CCN[C@@H]1CC(O)=O Amb20242369 [1,0,0,1,0,0|1,0,1]=4 536 B10R1.64 O[C@H]1CCN[C@H]1CC(O)=O Amb20242348 [1,0,0,1,0,0|1,0,1]=4 537 B10R1.66 OC(=O)CCC1CCC=C1 Amb24568298 [1,0,0,1,0,0|2,0,0]=4 538 B10R1.66 OC(=O)CCC1CCCO1 Amb1093967 [1,0,0,1,0,0|1,0,1]=4 539 B10R1.66 OC(=O)CCN1CCCO1 Amb22586923 [1,0,0,1,0,0|1,0,1]=4 540 B10R1.66 OC(=O)CC[C@@H]1CCCO1 Amb25340449 [1,0,0,1,0,0|1,0,1]=4 541 B10R1.77 O=C1CC(=O)CCCCC1 Amb22497156 [1,0,0,1,0,0|2,0,0]=4 542 B10R1.86 C=CCC1CCC1C(O)=O Amb24524603 [1,0,0,1,0,0|2,0,0]=4 543 B10R1.126 NC(=O)CCSCC1CO1 Amb24560715 [1,0,0,1,0,0|1,0,1]=4 544 B10R1.126 OC(=O)CCCCC1CO1 Amb25324298 [1,0,0,1,0,0|1,0,1]=4 545 B10R1.127 OC(=O)CCSC1CNC1 Amb25350421 [1,0,0,1,0,0|2,0,0]=4 546 B10R1.144 C=CCCC1CC1C(O)=O Amb25702406 [1,0,0,1,0,0|2,0,0]=4 547 B10R1.144 C=CCC[C@@H]1C[C@@H]1C(O)=O Amb25378851 [1,0,0,1,0,0|2,0,0]=4 548 B10R1.156 CC(=O)CCC1CC1C=O Amb25227105 [1,0,0,1,0,0|2,0,0]=4 549 B10R1.162 O=CC1CCCCC(=O)N1 Amb24479154 [1,0,0,1,0,0|2,0,0]=4 550 B10R1.162 OCC1CSCCC(=O)N1 Amb24663328 [1,0,0,1,0,0|1,0,1]=4 551 B10R1.162 OC[C@@H]1CCCCC(=O)O1 Amb24481208 [1,0,0,1,0,0|1,0,1]=4 552 B10R1.348 OC(=O)C1CCCCC=C1 Amb25230619 [1,0,0,1,0,0|2,0,0]=4 553 B10R1.348 OC(=O)C1CNCCCO1 Amb17739810 [1,0,0,1,0,0|1,0,1]=4 554 B10R1.348 OC(=O)C1CNCCCO1 Amb22523333 [1,0,0,1,0,0|1,0,1]=4 555 B10R1.348 OC(=O)C1CSCCCN1 Amb24374437 [1,0,0,1,0,0|1,0,1]=4 556 B10R1.54 C=C1CC(CC(O)=O)CC1 Amb25354325 [0,0,0,1,1,0|2,0,0]=4 557 B10R1.54 CC(=O)CC1CCC(=O)N1 Amb18831756 [0,0,0,1,1,0|2,0,0]=4 558 B10R1.54 CC(=O)CC1CCC(=O)O1 Amb25146882 [0,0,0,1,1,0|1,0,0]=3 559 B10R1.54 CC(=O)C[C@H]1CC(=O)CC1 Amb25768398 [0,0,0,1,1,0|2,0,0]=4 560 B10R1.54 CC(O)CC1CCC(=O)O1 Amb24734826 [0,0,0,1,1,0|1,0,1]=4 561 B10R1.54 CC1CCC(CC(O)=O)O1 Amb24715878 [0,0,0,1,1,0|1,0,1]=4 562 B10R1.54 NC(=O)CC1CCC(=O)N1 Amb24480789 [0,0,0,1,1,0|2,0,0]=4 563 B10R1.54 OC(=O)CC1=CCC(=O)O1 Amb25703174 [0,0,0,1,1,0|0,0,2]=4 564 B10R1.54 OC(=O)CC1CC(=O)CC1 Amb18643816 [0,0,0,1,1,0|1,0,0]=3 565 B10R1.54 OC(=O)CC1CC(=O)NC1 Amb18831602 [0,0,0,1,1,0|2,0,0]=4 566 B10R1.54 OC(=O)CC1CC(=O)OC1 Amb20669416 [0,0,0,1,1,0|2,0,0]=4 567 B10R1.54 OC(=O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,1,0|1,0,0]=3 568 B10R1.54 OC(=O)CC1CNC(=O)O1 Amb18644185 [0,0,0,1,1,0|1,0,0]=3 569 B10R1.54 OC(=O)CC1CSC(=O)S1 Amb25108490 [0,0,0,1,1,0|1,1,0]=4 570 B10R1.54 OC(=O)CC1NC(=O)CS1 Amb24482236 [0,0,0,1,1,0|1,0,0]=3 571 B10R1.54 OC(=O)CN1CC(=O)CC1 Amb22496571 [0,0,0,1,1,0|2,0,0]=4 572 B10R1.54 OC(=O)CN1CCC(=O)N1 Amb25208783 [0,0,0,1,1,0|2,0,0]=4 573 B10R1.54 OC(=O)C[C@@H]1CC(=O)CC1 Amb22898751 [0,0,0,1,1,0|1,0,0]=3 574 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,1,0|1,0,0]=3 575 B10R1.54 OC(=O)C[C@@H]1CCC(=O)O1 Amb22746828 [0,0,0,1,1,0|0,0,0]=2 576 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 Amb25147304 [0,0,0,1,1,0|1,0,0]=3 577 B10R1.54 OC(=O)C[C@H]1C=CC(=O)O1 Amb25069009 [0,0,0,1,1,0|0,0,2]=4 578 B10R1.54 OC(=O)C[C@H]1CC(=O)CC1 Amb24480441 [0,0,0,1,1,0|1,0,0]=3 579 B10R1.54 OC(=O)C[C@H]1CC(=O)NC1 Amb24410373 [0,0,0,1,1,0|2,0,0]=4 580 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,1,0|1,0,0]=3 581 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 Amb24529265 [0,0,0,1,1,0|1,0,0]=3 582 B10R1.54 OC(=O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,1,0|2,0,0]=4 583 B10R1.71 O=C1CCCCC(=O)C=C1 Amb24478182 [0,0,0,1,1,0|2,0,0]=4 584 B10R1.71 O=C1CCCNC(=O)CO1 Amb24504877 [0,0,0,1,1,0|2,0,0]=4 585 B10R1.82 CC(=O)CCC1CC(=O)O1 Amb24480561 [0,0,0,1,1,0|1,0,0]=3 586 B10R1.82 CC(=O)CSC1CC(=O)N1 Amb24662919 [0,0,0,1,1,0|2,0,0]=4 587 B10R1.82 OC(=O)CCC1CC(=O)C1 Amb25770415 [0,0,0,1,1,0|1,0,0]=3 588 B10R1.82 OC(=O)CS[C@@H]1CC(=O)N1 Amb24635723 [0,0,0,1,1,0|1,0,0]=3 589 B10R1.113 C=C1CC(CCC1)C(O)=O Amb24480810 [0,0,0,1,1,0|2,0,0]=4 590 B10R1.113 CC(=O)C1CC(=O)CCC1 Amb25785645 [0,0,0,1,1,0|2,0,0]=4 591 B10R1.113 CC(=O)C1CCCC(=O)O1 Amb24662042 [0,0,0,1,1,0|1,0,0]=3 592 B10R1.113 CC(=O)[C@@H]1CC(=O)CCC1 Amb24686405 [0,0,0,1,1,0|2,0,0]=4 593 B10R1.113 CC(O)C1CCCC(=O)O1 Amb25085417 [0,0,0,1,1,0|1,0,1]=4 594 B10R1.113 CC1CCCC(O1)C(O)=O Amb24529278 [0,0,0,1,1,0|1,0,1]=4 595 B10R1.113 CC=1CCCC(N1)C(O)=O Amb25300583 [0,0,0,1,1,0|2,0,0]=4 596 B10R1.113 CC=1CCC[C@H](N1)C(O)=O Amb24549209 [0,0,0,1,1,0|2,0,0]=4 597 B10R1.113 C[C@@H](O)[C@@H]1CCCC(=O)O1 Amb24719597 [0,0,0,1,1,0|1,0,1]=4 598 B10R1.113 C[C@H](O)[C@@H]1CCCC(=O)O1 Amb25283538 [0,0,0,1,1,0|1,0,1]=4 599 B10R1.113 C[C@H]1CCC[C@H](O1)C(O)=O Amb24622482 [0,0,0,1,1,0|1,0,1]=4 600 B10R1.113 NC(=O)C1CC(=O)CCC1 Amb24470598 [0,0,0,1,1,0|2,0,0]=4 601 B10R1.113 NC(=O)C1CCCC(=O)N1 Amb24480756 [0,0,0,1,1,0|2,0,0]=4 602 B10R1.113 NC(=O)[C@@H]1CCCC(=O)N1 Amb24753146 [0,0,0,1,1,0|2,0,0]=4 603 B10R1.113 O=C1CCCC(=C1)C(=O)O Amb10789564 [0,0,0,1,1,0|1,0,1]=4 604 B10R1.113 O=C1CCC[C@H](N1)C(=O)O Amb10576327 [0,0,0,1,1,0|1,0,0]=3 605 B10R1.113 O=C1CCNC(C1)C(=O)O Amb13889089 [0,0,0,1,1,0|2,0,0]=4 606 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O Amb13889084 [0,0,0,1,1,0|2,0,0]=4 607 B10R1.113 OC(=O)C1CC(=O)CCO1 Amb22496784 [0,0,0,1,1,0|1,1,0]=4 608 B10R1.113 OC(=O)C1CC(=O)NCC1 Amb18831603 [0,0,0,1,1,0|2,0,0]=4 609 B10R1.113 OC(=O)C1CCCC(=O)S1 Amb25774954 [0,0,0,1,1,0|0,1,0]=3 610 B10R1.113 OC(=O)C1CCNC(=O)N1 Amb24659979 [0,0,0,1,1,0|2,0,0]=4 611 B10R1.113 OC(=O)C1CNCC(=O)N1 Amb22235985 [0,0,0,1,1,0|2,0,0]=4 612 B10R1.113 OC(=O)C1COCC(=O)N1 Amb18862478 [0,0,0,1,1,0|1,1,0]=4 613 B10R1.113 OC(=O)[C@@H]1CC(=O)CCC1 Amb24460815 [0,0,0,1,1,0|1,0,0]=3 614 B10R1.113 OC(=O)[C@@H]1CCOC(=O)N1 Amb24745665 [0,0,0,1,1,0|2,0,0]=4 615 B10R1.113 OC(=O)[C@@H]1CNCC(=O)N1 Amb22746774 [0,0,0,1,1,0|2,0,0]=4 616 B10R1.113 OC(=O)[C@H]1CCNC(=O)N1 Amb24479098 [0,0,0,1,1,0|2,0,0]=4 617 B10R1.113 OC(=O)[C@H]1COCC(=O)N1 Amb25235172 [0,0,0,1,1,0|1,1,0]=4 618 B10R1.113 OC1CCCC(C1)C(O)=O Amb18644123 [0,0,0,1,1,0|1,0,1]=4 619 B10R1.113 OC1CCCC(O1)C(O)=O Amb24426494 [0,0,0,1,1,0|0,0,2]=4 620 B10R1.113 OC1CCC[C@H](N1)C(O)=O Amb24479127 [0,0,0,1,1,0|1,0,1]=4 621 B10R1.113 OP(=O)C1CC(=O)CCC1 Amb24690607 [0,0,0,1,1,0|2,0,0]=4 622 B10R1.113 O[C@@H]1CCC[C@@H](C1)C(O)=O Amb22899465 [0,0,0,1,1,0|1,0,1]=4 623 B10R1.113 O[C@@H]1CCC[C@H](C1)C(O)=O Amb22899464 [0,0,0,1,1,0|1,0,1]=4 624 B10R1.113 O[C@H]1CCC[C@@H](C1)C(O)=O Amb24546990 [0,0,0,1,1,0|1,0,1]=4 625 B10R1.128 CP1(=O)CCCC1C(O)=O Amb24476996 [0,0,0,1,1,0|2,0,0]=4 626 B10R1.128 OC(=O)C1CCCS1(=O)=O Amb22886525 [0,0,0,1,1,0|1,0,1]=4 627 B10R1.361 CC(=O)C1CCC1C(O)=O Amb25054556 [0,0,0,1,1,0|1,0,0]=3 628 B10R1.361 CC(=O)N1CCC1C(O)=O Amb24077473 [0,0,0,1,1,0|2,0,0]=4 629 B10R1.361 CC(=O)N1CC[C@H]1C(O)=O Amb25113483 [0,0,0,1,1,0|2,0,0]=4 630 B10R1.361 CC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb24514837 [0,0,0,1,1,0|1,0,0]=3 631 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(N)=O Amb24391331 [0,0,0,1,1,0|2,0,0]=4 632 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24671300 [0,0,0,1,1,0|1,0,0]=3 633 B10R1.361 NC(=O)C1CCC1C(N)=O Amb25211720 [0,0,0,1,1,0|2,0,0]=4 634 B10R1.361 NC(=O)N1CCC1C(O)=O Amb24522708 [0,0,0,1,1,0|2,0,0]=4 635 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(N)=O Amb22231684 [0,0,0,1,1,0|2,0,0]=4 636 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24366239 [0,0,0,1,1,0|1,0,0]=3 637 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(=O)N Amb16193326 [0,0,0,1,1,0|2,0,0]=4 638 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(O)=O Amb24548230 [0,0,0,1,1,0|1,0,0]=3 639 B10R1.361 O=C(Cl)C1CCC1C(=O)Cl Amb22230444 [0,0,0,1,1,0|2,0,0]=4 640 B10R1.361 OC(=O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,1,0|1,0,0]=3 641 B10R1.361 OC(=O)C1CCC1C(O)=O Amb19373431 [0,0,0,1,1,0|0,0,0]=2 642 B10R1.361 OC(=O)C1CNC1C(O)=O Amb24088246 [0,0,0,1,1,0|1,0,0]=3 643 B10R1.361 OC(=O)C=1CCC1C(O)=O Amb24615623 [0,0,0,1,1,0|0,0,2]=4 644 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)Cl Amb25726019 [0,0,0,1,1,0|1,0,0]=3 645 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb16230761 [0,0,0,1,1,0|0,0,0]=2 646 B10R1.361 OC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24182065 [0,0,0,1,1,0|0,0,0]=2 647 B10R1.361 OC(=O)[C@H]1CC[C@@H]1C(O)=O Amb25267014 [0,0,0,1,1,0|0,0,0]=2 648 B10R1.361 OC(=O)[C@H]1CN[C@@H]1C(O)=O Amb25225066 [0,0,0,1,1,0|1,0,0]=3 649 B10R1.361 OC(=O)[C@H]1CN[C@H]1C(O)=O Amb24657216 [0,0,0,1,1,0|1,0,0]=3 650 B10R1.368 CC(=C)C[C@H]1C[C@@H]1C(O)=O Amb25378774 [0,0,0,1,1,0|2,0,0]=4 651 B10R1.368 CC(=O)NC1CC1C(O)=O Amb18831601 [0,0,0,1,1,0|2,0,0]=4 652 B10R1.368 CC(=O)OC1CC1C(O)=O Amb24746709 [0,0,0,1,1,0|2,0,0]=4 653 B10R1.368 OC(=O)CC1CC1C(O)=O Amb25111566 [0,0,0,1,1,0|0,0,0]=2 654 B10R1.368 OC(=O)CN1CC1C(O)=O Amb24078333 [0,0,0,1,1,0|1,0,0]=3 655 B10R1.368 OC(=O)CN1C[C@H]1C(O)=O Amb24078334 [0,0,0,1,1,0|1,0,0]=3 656 B10R1.368 OC(=O)[C@@H]/1C\C1=C\C(O)=O Amb25827923 [0,0,0,1,1,0|0,0,2]=4 657 B12R1.105 OC(=O)CCCC1CCC(=O)N1 Amb18825449 [0,0,0,1,0,1|2,0,0]=4 658 B12R1.226 OC(=O)CCC1CC(=O)CCC1 Amb18647388 [0,0,0,1,0,1|2,0,0]=4 659 B12R1.226 OC(=O)CCC1CCCC(=O)N1 Amb18825448 [0,0,0,1,0,1|2,0,0]=4 660 B12R1.226 OC(=O)CCC1CCCC(=O)O1 Amb24739726 [0,0,0,1,0,1|1,0,0]=3 661 B12R1.226 OC(=O)CCN1CCOC(=O)S1 Amb25322084 [0,0,0,1,0,1|1,1,0]=4 662 B12R1.226 OC(=O)CC[C@@H]1CC(=O)CCC1 Amb25210806 [0,0,0,1,0,1|2,0,0]=4 663 B12R1.261 CC(=O)C1CC=CCC1C(O)=O Amb25269557 [0,0,0,1,0,1|2,0,0]=4 664 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb1113381 [0,0,0,1,0,1|2,0,0]=4 665 B12R1.261 CC(=O)N1CCCC[C@@H]1C(O)=O Amb25715695 [0,0,0,1,0,1|2,0,0]=4 666 B12R1.261 CC(=O)N1CCCC[C@H]1C(O)=O Amb25336488 [0,0,0,1,0,1|2,0,0]=4 667 B12R1.261 CC(=O)N1CCNCC1C(O)=O Amb21861337 [0,0,0,1,0,1|2,0,0]=4 668 B12R1.261 CC(=O)N1CCSCC1C(O)=O Amb24433847 [0,0,0,1,0,1|1,0,0]=3 669 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb23558931 [0,0,0,1,0,1|2,0,0]=4 670 B12R1.261 CC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb25210471 [0,0,0,1,0,1|2,0,0]=4 671 B12R1.261 CC(=O)[C@H]1CCCCC1C(O)=O Amb24423856 [0,0,0,1,0,1|2,0,0]=4 672 B12R1.261 NC(=O)C1CCCC[C@H]1C(O)=O Amb25353526 [0,0,0,1,0,1|2,0,0]=4 673 B12R1.261 NC(=O)N1CCCCC1C(=O)O Amb1115531 [0,0,0,1,0,1|2,0,0]=4 674 B12R1.261 NC(=O)N1CCCC[C@@H]1C(O)=O Amb25051531 [0,0,0,1,0,1|2,0,0]=4 675 B12R1.261 NC(=O)N1CCNCC1C(O)=O Amb25306108 [0,0,0,1,0,1|2,0,0]=4 676 B12R1.261 NC(=O)N1CCOCC1C(O)=O Amb25793792 [0,0,0,1,0,1|1,1,0]=4 677 B12R1.261 NC(=O)N1CCSCC1C(O)=O Amb24544093 [0,0,0,1,0,1|1,0,0]=3 678 B12R1.261 NC(=O)[C@@H]1CC=CC[C@H]1C(O)=O Amb22737175 [0,0,0,1,0,1|2,0,0]=4 679 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O Amb25225612 [0,0,0,1,0,1|2,0,0]=4 680 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb22737172 [0,0,0,1,0,1|2,0,0]=4 681 B12R1.261 NC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb24571676 [0,0,0,1,0,1|2,0,0]=4 682 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(O)=O Amb22737173 [0,0,0,1,0,1|2,0,0]=4 683 B12R1.261 OC(=O)C1C=CCCC1C(=O)O Amb17594248 [0,0,0,1,0,1|1,0,1]=4 684 B12R1.261 OC(=O)C1CC=CC[C@@H]1C(O)=O Amb25702673 [0,0,0,1,0,1|1,0,0]=3 685 B12R1.261 OC(=O)C1CCCCC1C(=O)Cl Amb25189632 [0,0,0,1,0,1|2,0,0]=4 686 B12R1.261 OC(=O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,0,1|1,0,0]=3 687 B12R1.261 OC(=O)C1CCCC[C@H]1C(O)=O Amb25329514 [0,0,0,1,0,1|1,0,0]=3 688 B12R1.261 OC(=O)C1OCCOC1C(=O)O Amb17594456 [0,0,0,1,0,1|2,0,0]=4 689 B12R1.261 OC(=O)C=1CCCCC1C(O)=O Amb18647272 [0,0,0,1,0,1|1,0,1]=4 690 B12R1.261 OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O Amb2426049 [0,0,0,1,0,1|1,0,0]=3 691 B12R1.261 OC(=O)[C@@H]1CC=CC[C@H]1C(=O)O Amb10606861 [0,0,0,1,0,1|1,0,0]=3 692 B12R1.261 OC(=O)[C@@H]1CCSC[C@@H]1C(O)=O Amb25269469 [0,0,0,1,0,1|0,0,0]=2 693 B12R1.261 OC(=O)[C@@H]1NCCC[C@@H]1C(O)=O Amb22800779 [0,0,0,1,0,1|1,0,0]=3 694 B12R1.261 OC(=O)[C@H]1C=CCC[C@@H]1C(O)=O Amb25371612 [0,0,0,1,0,1|1,0,1]=4 695 B12R1.261 OC(=O)[C@H]1CCC=C[C@H]1C(O)=O Amb17673651 [0,0,0,1,0,1|1,0,1]=4 696 B12R1.261 OC(=O)[C@H]1CCSC[C@@H]1C(O)=O Amb24652578 [0,0,0,1,0,1|0,0,0]=2 697 B12R1.392 CC(=O)C1CCCN1CC(O)=O Amb25275498 [0,0,0,1,0,1|2,0,0]=4 698 B12R1.392 CC(=O)C1CNCC1CC(O)=O Amb25674207 [0,0,0,1,0,1|2,0,0]=4 699 B12R1.392 CC(=O)CC1CCCC1C(O)=O Amb25321925 [0,0,0,1,0,1|2,0,0]=4 700 B12R1.392 CC(=O)N1CCCC1CC(O)=O Amb18957003 [0,0,0,1,0,1|2,0,0]=4 701 B12R1.392 CC(=O)NC1CCCC1C(O)=O Amb25699727 [0,0,0,1,0,1|2,0,0]=4 702 B12R1.392 CC(=O)S[C@@H]1CCC[C@@H]1C(O)=O Amb24511957 [0,0,0,1,0,1|2,0,0]=4 703 B12R1.392 CC(=O)S[C@@H]1CCC[C@H]1C(O)=O Amb25299803 [0,0,0,1,0,1|2,0,0]=4 704 B12R1.392 NC(=O)C1CCCC1CC(O)=O Amb24733998 [0,0,0,1,0,1|2,0,0]=4 705 B12R1.392 NC(=O)CC1CCCC1C(O)=O Amb24356704 [0,0,0,1,0,1|2,0,0]=4 706 B12R1.392 NC(=O)CC1OCCC1C(O)=O Amb24452399 [0,0,0,1,0,1|1,1,0]=4 707 B12R1.392 NC(=O)C[C@@H]1CCC[C@H]1C(O)=O Amb25233434 [0,0,0,1,0,1|2,0,0]=4 708 B12R1.392 NC(=O)N1CCCC1CC(O)=O Amb18954115 [0,0,0,1,0,1|2,0,0]=4 709 B12R1.392 NC(=O)[C@@H]1CCC[C@H]1CC(O)=O Amb24693984 [0,0,0,1,0,1|2,0,0]=4 710 B12R1.392 NC(=O)[C@H]1CCC[C@H]1CC(O)=O Amb25211235 [0,0,0,1,0,1|2,0,0]=4 711 B12R1.392 OC(=O)C1CCCN1CP(O)=O Amb24497569 [0,0,0,1,0,1|2,0,0]=4 712 B12R1.392 OC(=O)CC1CCC=C1C(O)=O Amb24635841 [0,0,0,1,0,1|1,0,1]=4 713 B12R1.392 OC(=O)CC1CCNC1C(O)=O Amb18127007 [0,0,0,1,0,1|1,0,0]=3 714 B12R1.392 OC(=O)CC1CNCC1C(O)=O Amb25288102 [0,0,0,1,0,1|1,0,0]=3 715 B12R1.392 OC(=O)CC=1CCCC1C(O)=O Amb24697653 [0,0,0,1,0,1|1,0,1]=4 716 B12R1.392 OC(=O)CN1CCCC1C(O)=O Amb24537597 [0,0,0,1,0,1|1,0,0]=3 717 B12R1.392 OC(=O)CN1CCC[C@H]1C(O)=O Amb24513497 [0,0,0,1,0,1|1,0,0]=3 718 B12R1.392 OC(=O)CN1CCC[C@H]1C(O)=O Amb25834004 [0,0,0,1,0,1|1,0,0]=3 719 B12R1.392 OC(=O)C[C@@H]1CCC[C@@H]1C(O)=O Amb25348218 [0,0,0,1,0,1|1,0,0]=3 720 B12R1.392 OC(=O)C[C@H]1CCC[C@H]1C(O)=O Amb24602457 [0,0,0,1,0,1|1,0,0]=3 721 B12R1.392 OC(=O)C[C@H]1CCNC1C(O)=O Amb25069554 [0,0,0,1,0,1|1,0,0]=3 722 B12R1.392 OC(=O)C[C@H]1CCN[C@@H]1C(O)=O Amb25326507 [0,0,0,1,0,1|1,0,0]=3 723 B12R1.392 OC(=O)[C@@H]1CCCN1CP(O)=O Amb24424130 [0,0,0,1,0,1|2,0,0]=4 724 B12R1.874 OC(=O)CC1CC(=O)CCCC1 Amb25708403 [0,0,0,1,0,1|2,0,0]=4 725 B12R1.874 OC(=O)CC1CC(=O)NCCC1 Amb25322054 [0,0,0,1,0,1|2,0,0]=4 726 B12R1.874 OC(=O)C[C@H]1CC(=O)CCCC1 Amb24471815 [0,0,0,1,0,1|2,0,0]=4 727 B12R1.1011 OC(=O)C1CC(=O)CCCCC1 Amb25187509 [0,0,0,1,0,1|2,0,0]=4 728 B12R1.1011 OC(=O)[C@@H]1CSSCCC(=O)N1 Amb24496033 [0,0,0,1,0,1|1,0,0]=3 729 B12R1.1339 OC(=O)C[C@@H]1CN[C@H]1CC(O)=O Amb22388562 [0,0,0,1,0,1|1,0,0]=3 730 B12R1.103 CC(CC(O)=O)C1CCC(=O)N1 Amb25054738 [0,1,0,1,0,0|2,0,0]=4 731 B12R1.389 CC(=O)CC1NC(CS1)C(O)=O Amb24453381 [0,1,0,1,0,0|1,0,0]=3 732 B12R1.389 NC(=O)CC1NC(CS1)C(O)=O Amb24487569 [0,1,0,1,0,0|1,0,0]=3 733 B12R1.389 NC(=O)CC1N[C@@H](CS1)C(O)=O Amb25270591 [0,1,0,1,0,0|1,0,0]=3 734 B12R1.389 NC(=O)CC1N[C@H](CS1)C(O)=O Amb25258742 [0,1,0,1,0,0|1,0,0]=3 735 B12R1.389 OC(=O)C1=CSC(CC(O)=O)N1 Amb25109168 [0,1,0,1,0,0|0,0,2]=4 736 B12R1.389 OC(=O)CC1CC(C=C1)C(O)=O Amb24635821 [0,1,0,1,0,0|1,0,1]=4 737 B12R1.389 OC(=O)CC1CC(CC1)C(O)=O Amb24710096 [0,1,0,1,0,0|1,0,0]=3 738 B12R1.389 OC(=O)CC1CCC(O1)C(O)=O Amb24754020 [0,1,0,1,0,0|1,0,0]=3 739 B12R1.389 OC(=O)CC1CC[C@H](N1)C(O)=O Amb25727925 [0,1,0,1,0,0|1,0,0]=3 740 B12R1.389 OC(=O)CN1CC(CC1)C(O)=O Amb25360209 [0,1,0,1,0,0|2,0,0]=4 741 B12R1.389 OC(=O)C[C@@H]1C[C@H](CC1)C(O)=O Amb25360952 [0,1,0,1,0,0|1,0,0]=3 742 B12R1.389 OC(=O)C[C@H]1CC[C@H](N1)C(O)=O Amb25174934 [0,1,0,1,0,0|1,0,0]=3 743 B12R1.389 OC(=O)C[C@H]1CN[C@@H](C1)C(O)=O Amb24606860 [0,1,0,1,0,0|2,0,0]=4 744 B12R1.389 OC(=O)C[C@H]1C[C@H](CC1)C(O)=O Amb24606375 [0,1,0,1,0,0|1,0,0]=3 745 B12R1.498 CC(=O)C1CCC(C)C1C(O)=O Amb25832252 [0,1,0,1,0,0|2,0,0]=4 746 B12R1.498 CC(=O)N1C(CSC1C)C(O)=O Amb24427975 [0,1,0,1,0,0|2,0,0]=4 747 B12R1.498 CC(=O)N1[C@@H](CS[C@@H]1C)C(O)=O Amb25241552 [0,1,0,1,0,0|2,0,0]=4 748 B12R1.498 CC(=O)N1[C@@H](CS[C@H]1C)C(O)=O Amb24519279 [0,1,0,1,0,0|2,0,0]=4 749 B12R1.498 CC(=O)[C@@H]1CC[C@H](C)[C@@H]1C(O)=O Amb24511952 [0,1,0,1,0,0|2,0,0]=4 750 B12R1.498 CC1SCC(C(O)=O)N1C(N)=O Amb25333826 [0,1,0,1,0,0|2,0,0]=4 751 B12R1.498 C[C@@H]1CC[C@@H]([C@H]1C(O)=O)C(O)=O Amb25176131 [0,1,0,1,0,0|1,0,0]=3 752 B12R1.498 C[C@@H]1CC[C@H]([C@H]1C(O)=O)C(O)=O Amb25210904 [0,1,0,1,0,0|1,0,0]=3 753 B12R1.498 C[C@H]1CC[C@H]([C@@H]1C(O)=O)C(O)=O Amb24655064 [0,1,0,1,0,0|1,0,0]=3 754 B12R1.498 NC1CCC(C1C(O)=O)C(O)=O Amb24753778 [0,1,0,1,0,0|1,0,0]=3 755 B12R1.861 CC1NC(=O)OC1CCC(O)=O Amb24678806 [0,1,0,1,0,0|2,0,0]=4 756 B12R1.861 C[C@H]1NC(=O)O[C@@H]1CCC(O)=O Amb25320864 [0,1,0,1,0,0|2,0,0]=4 757 B12R1.1020 OC(=O)CC1CCCC(=O)CC1 Amb24537795 [0,1,0,1,0,0|2,0,0]=4 758 B12R1.1257 CC1(CC(=O)CCC1)CC(O)=O Amb18647356 [0,1,0,1,0,0|2,0,0]=4 759 B12R1.1257 C[C@@]1(CC(=O)CCC1)CC(O)=O Amb25144060 [0,1,0,1,0,0|2,0,0]=4 760 B12R1.1825 CC(=O)C1CCC1(C)CC(O)=O Amb25100970 [0,1,0,1,0,0|2,0,0]=4 761 B12R1.1825 CC(=O)[C@H]1CC[C@]1(C)CC(O)=O Amb25210432 [0,1,0,1,0,0|2,0,0]=4 762 B12R1.104 NC(CN1CCC(=O)O1)C(O)=O Amb25121270 [0,1,0,1,0,0|1,0,0]=3 763 B12R1.104 N[C@@H](CC1CCC(=O)O1)C(O)=O Amb25138674 [0,1,0,1,0,0|1,0,0]=3 764 B12R1.104 N[C@@H](CN1CCC(=O)O1)C(O)=O Amb24471337 [0,1,0,1,0,0|1,0,0]=3 765 B12R1.104 OC(=O)C(O)CC1CCC(=O)N1 Amb25775042 [0,1,0,1,0,0|2,0,0]=4 766 B12R1.110 CC1CC(CCC(O)=O)OC1=O Amb24692880 [0,1,0,1,0,0|1,0,0]=3 767 B12R1.225 CC(C1CCCC(=O)C1)C(O)=O Amb25257918 [0,1,0,1,0,0|2,0,0]=4 768 B12R1.225 CC(C1CCCC(=O)N1)C(O)=O Amb24406005 [0,1,0,1,0,0|2,0,0]=4 769 B12R1.225 CC(C1CCCC(=O)O1)C(O)=O Amb25363250 [0,1,0,1,0,0|1,0,0]=3 770 B12R1.225 C[C@@H]([C@@H]1CCCC(=O)C1)C(O)=O Amb25247387 [0,1,0,1,0,0|2,0,0]=4 771 B12R1.225 C[C@H]([C@@H]1CCCC(=O)C1)C(O)=O Amb25201009 [0,1,0,1,0,0|2,0,0]=4 772 B12R1.225 NC(C1CCCC(=O)C1)C(O)=O Amb25310755 [0,1,0,1,0,0|2,0,0]=4 773 B12R1.225 OC(=O)C(F)C1CC(=O)CCC1 Amb24363145 [0,1,0,1,0,0|2,0,0]=4 774 B12R1.258 NC(=O)C1CCCC(C1)C(O)=O Amb19148720 [0,1,0,1,0,0|2,0,0]=4 775 B12R1.258 NC(=O)C1CCCC(N1)C(O)=O Amb24588927 [0,1,0,1,0,0|2,0,0]=4 776 B12R1.258 NC(=O)C1CNCC(C1)C(O)=O Amb25156601 [0,1,0,1,0,0|2,0,0]=4 777 B12R1.258 NC(=O)C1CSCC(N1)C(N)=O Amb18650222 [0,1,0,1,0,0|2,0,0]=4 778 B12R1.258 NC(=O)[C@@H]1CCC[C@@H](N1)C(O)=O Amb24576611 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.258 NC(=O)[C@H]1CSC[C@@H](N1)C(N)=O Amb24727222 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.258 NC(=O)[C@H]1CSC[C@H](N1)C(N)=O Amb25034608 [0,1,0,1,0,0|2,0,0]=4 781 B12R1.258 OC(=O)C1CC(CC=C1)C(O)=O Amb25108620 [0,1,0,1,0,0|1,0,1]=4 782 B12R1.258 OC(=O)C1CC(CCN1)C(O)=O Amb18647703 [0,1,0,1,0,0|2,0,0]=4 783 B12R1.258 OC(=O)C1CCCC(N1)C(=O)O Amb13886289 [0,1,0,1,0,0|1,0,0]=3 784 B12R1.258 OC(=O)C1CCCC(O1)C(O)=O Amb25774523 [0,1,0,1,0,0|1,0,0]=3 785 B12R1.258 OC(=O)C1CCCC(S1)C(O)=O Amb24424032 [0,1,0,1,0,0|1,0,0]=3 786 B12R1.258 OC(=O)C1CNCC(C1)C(=O)O Amb13885741 [0,1,0,1,0,0|1,0,0]=3 787 B12R1.258 OC(=O)C1COCC(O1)C(O)=O Amb25804011 [0,1,0,1,0,0|0,1,0]=3 788 B12R1.258 OC(=O)C1CSCC(N1)C(O)=O Amb18129889 [0,1,0,1,0,0|0,0,0]=2 789 B12R1.258 OC(=O)C1C[C@@H](CCC1)C(O)=O Amb25111123 [0,1,0,1,0,0|1,0,0]=3 790 B12R1.258 OC(=O)C1NC(CCS1)C(O)=O Amb25683428 [0,1,0,1,0,0|2,0,0]=4 791 B12R1.258 OC(=O)C1N[C@@H](CCS1)C(O)=O Amb24355860 [0,1,0,1,0,0|2,0,0]=4 792 B12R1.258 OC(=O)C1N[C@H](CCS1)C(O)=O Amb24542888 [0,1,0,1,0,0|2,0,0]=4 793 B12R1.258 OC(=O)C=1CCCC(C1)C(O)=O Amb25065304 [0,1,0,1,0,0|1,0,1]=4 794 B12R1.258 OC(=O)C=1CCC[C@@H](N1)C(O)=O Amb24651013 [0,1,0,1,0,0|1,0,1]=4 795 B12R1.258 OC(=O)C=1CSC[C@@H](N1)C(O)=O Amb24565714 [0,1,0,1,0,0|0,0,1]=3 796 B12R1.258 OC(=O)N1CC(CCC1)C(O)=O Amb22274580 [0,1,0,1,0,0|2,0,0]=4 797 B12R1.258 OC(=O)[C@@H]1CCN[C@@H](C1)C(=O)O Amb13885721 [0,1,0,1,0,0|2,0,0]=4 798 B12R1.258 OC(=O)[C@@H]1CSC[C@H](N1)C(O)=O Amb24612031 [0,1,0,1,0,0|0,0,0]=2 799 B12R1.258 OC(=O)[C@@H]1C[C@@H](CC=C1)C(O)=O Amb25109542 [0,1,0,1,0,0|1,0,1]=4 800 B12R1.258 OC(=O)[C@@H]1C[C@H](CC=C1)C(O)=O Amb25210817 [0,1,0,1,0,0|1,0,1]=4 801 B12R1.258 OC(=O)[C@@H]1C[C@H](CCC1)C(O)=O Amb22899260 [0,1,0,1,0,0|1,0,0]=3 802 B12R1.258 OC(=O)[C@H]1CCC[C@@H](S1)C(O)=O Amb25176093 [0,1,0,1,0,0|1,0,0]=3 803 B12R1.258 OC(=O)[C@H]1CCC[C@H](O1)C(O)=O Amb25697139 [0,1,0,1,0,0|1,0,0]=3 804 B12R1.258 OC(=O)[C@H]1COC[C@@H](O1)C(O)=O Amb24651098 [0,1,0,1,0,0|0,1,0]=3 805 B12R1.258 OC(=O)[C@H]1CSC[C@H](N1)C(O)=O Amb25274044 [0,1,0,1,0,0|0,0,0]=2 806 B12R1.258 OC(=O)[C@H]1C[C@@H](CC=C1)C(O)=O Amb25766013 [0,1,0,1,0,0|1,0,1]=4 807 B12R1.258 OC(=O)[C@H]1C[C@@H](CCC1)C(O)=O Amb24725578 [0,1,0,1,0,0|1,0,0]=3 808 B12R1.258 OC(=O)[C@H]1C[C@@H](CCN1)C(O)=O Amb24519628 [0,1,0,1,0,0|2,0,0]=4 809 B12R1.258 OC(=O)[C@H]1C[C@H](CCN1)C(O)=O Amb24672560 [0,1,0,1,0,0|2,0,0]=4 810 B12R1.1382 N[C@@H]([C@@H]1CC[C@H]1C(O)=O)C(O)=O Amb25288168 [0,1,0,1,0,0|1,0,0]=3 811 B12R1.1382 OC(=O)[C@@H]1CC[C@H]1C(=O)C(O)=O Amb25209975 [0,1,0,1,0,0|1,0,1]=4 812 B12R1.1388 CC(=O)[C@@H]1CCC[C@]1(C)C(O)=O Amb24642065 [0,1,0,1,0,0|2,0,0]=4 813 B12R1.1388 C[C@]1(CCC[C@@H]1C(O)=O)C(O)=O Amb24512173 [0,1,0,1,0,0|1,0,0]=3 814 B12R1.1388 NC1(CCCC1C(O)=O)C(O)=O Amb24470134 [0,1,0,1,0,0|1,0,0]=3 815 B12R1.1388 N[C@@]1(CCC[C@H]1C(O)=O)C(O)=O Amb25089845 [0,1,0,1,0,0|1,0,0]=3 816 B12R1.2709 CC1(CCCCC(=O)N1)C(O)=O Amb22641232 [0,1,0,1,0,0|2,0,0]=4 817 B12R1.21 OC(=O)CCC1CCC(=O)CC1 Amb23453163 [0,1,0,1,0,0|2,0,0]=4 818 B12R1.21 OC(=O)CCC1CCC(=O)NC1 Amb16233457 [0,1,0,1,0,0|2,0,0]=4 819 B12R1.21 OC(=O)CCC1CCC(=O)OC1 Amb25322078 [0,1,0,1,0,0|1,0,0]=3 820 B12R1.21 OC(=O)CCC=1CCC(=O)CC1 Amb25783905 [0,1,0,1,0,0|2,0,0]=4 821 B12R1.21 OC=1CCC(CCC(O)=O)=NN1 Amb19864608 [0,1,0,1,0,0|2,0,0]=4 822 B12R1.127 OC(=O)CC1CC(=O)CCC1=O Amb18647270 [0,1,0,1,0,0|2,0,0]=4 823 B12R1.213 C[C@@H]1N[C@@H]([C@H]1CC(O)=O)C(O)=O Amb24693987 [0,1,0,1,0,0|2,0,0]=4 824 B12R1.850 CC1CC(C(C1)C(O)=O)C(O)=O Amb25246178 [0,1,0,1,0,0|1,0,0]=3 825 B12R1.850 CC1C[C@@H]([C@@H](C1)C(O)=O)C(N)=O Amb25142220 [0,1,0,1,0,0|2,0,0]=4 826 B12R1.850 CC=1CC(C(C1)C(O)=O)C(O)=O Amb25786733 [0,1,0,1,0,0|1,0,1]=4 827 B12R1.850 CC=1C[C@H]([C@@H](C1)C(O)=O)C(O)=O Amb24552917 [0,1,0,1,0,0|1,0,1]=4 828 B12R1.850 CC=1C[C@H]([C@H](C1)C(O)=O)C(O)=O Amb24602479 [0,1,0,1,0,0|1,0,1]=4 829 B12R1.850 OC(=O)C1CC(=O)NC1C(O)=O Amb24724568 [0,1,0,1,0,0|2,0,0]=4 830 B12R1.850 OC(=O)C1CC(=O)N[C@@H]1C(O)=O Amb25269453 [0,1,0,1,0,0|2,0,0]=4 831 B12R1.850 OC(=O)C1CC(=O)OC1C(O)=O Amb17678843 [0,1,0,1,0,0|2,0,0]=4 832 B12R1.850 OC(=O)[C@@H]1CC(=O)C[C@H]1C(O)=O Amb25168932 [0,1,0,1,0,0|1,0,0]=3 833 B12R1.850 OC(=O)[C@@H]1CC(=O)O[C@H]1C(O)=O Amb25347174 [0,1,0,1,0,0|2,0,0]=4 834 B12R1.850 OC(=O)[C@H]1CC(=O)N[C@H]1C(O)=O Amb25201491 [0,1,0,1,0,0|2,0,0]=4 835 B12R1.850 OC1CC(C(C1)C(O)=O)C(O)=O Amb24392235 [0,1,0,1,0,0|1,0,0]=3 836 B12R1.3799 CC1(CCC(=O)N1)CCC(O)=O Amb18647481 [0,1,0,1,0,0|2,0,0]=4 837 B12R1.26 NNC(=O)CCC1CCC(=O)O1 Amb24501360 [0,1,0,1,0,0|2,0,0]=4 838 B12R1.50 COC(=O)C[C@@H]1CC(=O)CCC1 Amb25859277 [0,1,0,1,0,0|2,0,0]=4 839 B12R1.50 COC(=O)C[C@H]1CC(=O)CCC1 Amb25737078 [0,1,0,1,0,0|2,0,0]=4 840 B12R1.50 COC(=O)C[C@H]1CCCC(=O)N1 Amb24441515 [0,1,0,1,0,0|2,0,0]=4 841 B12R1.154 O=C1CCCCCC(=O)OCC1 Amb25373050 [0,1,0,1,0,0|2,0,0]=4 842 B12R1.224 CC1C(CCCC1=O)CC(O)=O Amb24341537 [0,1,0,1,0,0|2,0,0]=4 843 B12R1.224 CN1C(CCCC1=O)CC(O)=O Amb25828501 [0,1,0,1,0,0|2,0,0]=4 844 B12R1.368 C#CC(=O)N1CSC[C@H]1C(O)=O Amb25693710 [0,1,0,1,0,0|2,0,0]=4 845 B12R1.368 CC(=O)N1CSCC1C(=O)NO Amb25262077 [0,1,0,1,0,0|2,0,0]=4 846 B12R1.368 CC(=O)N1CSCC1C(=O)OC Amb24430948 [0,1,0,1,0,0|2,0,0]=4 847 B12R1.368 CC(=O)N1CSC[C@H]1C(=O)OC Amb24375877 [0,1,0,1,0,0|2,0,0]=4 848 B12R1.368 CC(=O)[C@@H]1CCC[C@H]1C(=O)OC Amb25322802 [0,1,0,1,0,0|2,0,0]=4 849 B12R1.368 CCC(=O)C1CCCC1C(O)=O Amb25095810 [0,1,0,1,0,0|2,0,0]=4 850 B12R1.368 CCC(=O)N1CSC[C@@H]1C(=O)O Amb10086463 [0,1,0,1,0,0|2,0,0]=4 851 B12R1.368 CCC(=O)N1CSC[C@H]1C(O)=O Amb25187487 [0,1,0,1,0,0|2,0,0]=4 852 B12R1.368 CCC(=O)[C@@H]1CCC[C@H]1C(O)=O Amb23558960 [0,1,0,1,0,0|2,0,0]=4 853 B12R1.368 CNC(=O)N1CSCC1C(O)=O Amb18278581 [0,1,0,1,0,0|2,0,0]=4 854 B12R1.368 CNC(=O)N1CSC[C@@H]1C(O)=O Amb19060903 [0,1,0,1,0,0|2,0,0]=4 855 B12R1.368 CNC(=O)N1CSC[C@H]1C(O)=O Amb24361565 [0,1,0,1,0,0|2,0,0]=4 856 B12R1.368 COC(=O)C1CCCC1C(=O)Cl Amb25233070 [0,1,0,1,0,0|2,0,0]=4 857 B12R1.368 COC(=O)C1CCCC1C(O)=O Amb18647593 [0,1,0,1,0,0|1,0,0]=3 858 B12R1.368 COC(=O)C1CNCC1C(O)=O Amb18647702 [0,1,0,1,0,0|1,0,0]=3 859 B12R1.368 COC(=O)C1CSCC1C(O)=O Amb18650316 [0,1,0,1,0,0|0,0,0]=2 860 B12R1.368 COC(=O)C1CSCN1C(=O)Cl Amb24066680 [0,1,0,1,0,0|2,0,0]=4 861 B12R1.368 COC(=O)C1NCCC1C(O)=O Amb18647701 [0,1,0,1,0,0|2,0,0]=4 862 B12R1.368 COC(=O)N1CCC[C@@H]1C(O)=O Amb18789948 [0,1,0,1,0,0|2,0,0]=4 863 B12R1.368 COC(=O)N1CCC[C@H]1C(O)=O Amb24736753 [0,1,0,1,0,0|2,0,0]=4 864 B12R1.368 COC(=O)N1COCC1C(O)=O Amb25036573 [0,1,0,1,0,0|1,1,0]=4 865 B12R1.368 COC(=O)N1COC[C@H]1C(O)=O Amb25110760 [0,1,0,1,0,0|1,1,0]=4 866 B12R1.368 COC(=O)[C@@H]1CCC[C@@H]1C(O)=O Amb22224864 [0,1,0,1,0,0|1,0,0]=3 867 B12R1.368 COC(=O)[C@@H]1CSCN1C(=O)Cl Amb24539381 [0,1,0,1,0,0|2,0,0]=4 868 B12R1.368 COC(=O)[C@H]1CCO[C@H]1C(O)=O Amb25241184 [0,1,0,1,0,0|2,0,0]=4 869 B12R1.368 COC(=O)[C@H]1CNC[C@H]1C(O)=O Amb24642041 [0,1,0,1,0,0|1,0,0]=3 870 B12R1.368 COC(=O)[C@H]1CSCN1C(=O)Cl Amb24444274 [0,1,0,1,0,0|2,0,0]=4 871 B12R1.368 COC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25179081 [0,1,0,1,0,0|0,0,0]=2 872 B12R1.368 COC(=O)[C@H]1NCC[C@H]1C(O)=O Amb25210542 [0,1,0,1,0,0|2,0,0]=4 873 B12R1.368 NCC(=O)N1CSCC1C(O)=O Amb18951652 [0,1,0,1,0,0|2,0,0]=4 874 B12R1.368 NCC(=O)N1CSC[C@H]1C(O)=O Amb25808238 [0,1,0,1,0,0|2,0,0]=4 875 B12R1.368 OC(=O)C1CSCN1C(=O)CS Amb24378170 [0,1,0,1,0,0|1,1,0]=4 876 B12R1.368 OC(=O)[C@@H]1CCCN1C(=O)CO Amb25842775 [0,1,0,1,0,0|2,0,0]=4 877 B12R1.368 OC(=O)[C@@H]1CSCN1C(=O)CCl Amb24700279 [0,1,0,1,0,0|2,0,0]=4 878 B12R1.368 OC(=O)[C@@H]1CSCN1C(=O)CS Amb25119186 [0,1,0,1,0,0|1,1,0]=4 879 B12R1.876 CN1C(CCCCC1=O)C(O)=O Amb23590304 [0,1,0,1,0,0|2,0,0]=4 880 B12R1.1657 COC(=O)C1CC(=O)CCCC1 Amb21962582 [0,1,0,1,0,0|2,0,0]=4 881 B12R1.1657 COC(=O)C1COCCC(=O)C1 Amb25128990 [0,1,0,1,0,0|1,1,0]=4 882 B12R1.1657 COC(=O)[C@H]1CC(=O)CCCC1 Amb24545683 [0,1,0,1,0,0|2,0,0]=4 883 B12R1.1657 COC(=O)[C@H]1COCCC(=O)N1 Amb24707800 [0,1,0,1,0,0|1,1,0]=4 884 B12R2.606 O=C1CCC2C(C1)CC(=O)O2 Amb17593843 [0,0,0,2,0,0|2,0,0]=4 885 B12R2.606 O=C1C[C@@H]2CC(=O)O[C@H]2CC1 Amb24540889 [0,0,0,2,0,0|2,0,0]=4 886 B12R2.1080 OC(=O)[C@H]1C[C@H]2OC(=O)C[C@H]21 Amb24550085 [0,0,0,2,0,0|1,0,0]=3 887 B12R2.1145 OC(=O)C1CC2CC(=O)C1C2 Amb22372042 [0,0,0,2,0,0|2,0,0]=4 888 B12R2.1145 OC(=O)C1CC2CC1C(=O)N2 Amb24596000 [0,0,0,2,0,0|2,0,0]=4 889 B12R2.1145 OC(=O)C1CC2CC1C(=O)O2 Amb24443016 [0,0,0,2,0,0|1,0,0]=3 890 B12R2.1145 OC(=O)C1C[C@@H]2C[C@H]1C(=O)O2 Amb24515025 [0,0,0,2,0,0|1,0,0]=3 891 B12R2.1145 OC(=O)C1C[C@H]2C[C@@H]1C(=O)O2 Amb24699166 [0,0,0,2,0,0|1,0,0]=3 892 B12R2.1145 OC(=O)[C@@H]1CC2CC1C(=O)O2 Amb24652406 [0,0,0,2,0,0|1,0,0]=3 893 B12R2.1145 OC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 Amb23439478 [0,0,0,2,0,0|1,0,0]=3 894 B12R2.1145 OC(=O)[C@H]1C[C@@H]2C[C@H]1C(=O)O2 Amb22262945 [0,0,0,2,0,0|1,0,0]=3 895 B12R2.2930 OC(=O)C1CC12CCC(=O)N2 Amb25685971 [0,0,0,2,0,0|2,0,0]=4 896 B12R2.202 O=C1CC2CCCC(=O)C2O1 Amb25371654 [0,0,0,2,0,0|2,0,0]=4 897 B12R2.202 O=C1C[C@@H]2CCCC(=O)[C@H]2O1 Amb24631522 [0,0,0,2,0,0|2,0,0]=4 898 B12R2.2456 OC(=O)C1CCC2C1C(=O)C2 Amb16233344 [0,0,0,2,0,0|2,0,0]=4 899 B12R2.2456 OC(=O)C1CCC2CC(=O)N12 Amb25095208 [0,0,0,2,0,0|2,0,0]=4 900 B12R2.2456 OC(=O)C1CSC2CC(=O)N21 Amb24381447 [0,0,0,2,0,0|1,0,0]=3 901 B12R2.2456 OC(=O)C1CS[C@H]2CC(=O)N21 Amb25279501 [0,0,0,2,0,0|1,0,0]=3 902 B12R2.2456 OC(=O)[C@@H]1CC[C@@H]2CC(=O)N12 Amb24078286 [0,0,0,2,0,0|2,0,0]=4 903 B12R2.2456 OC(=O)[C@@H]1CC[C@H]2CC(=O)N12 Amb24078287 [0,0,0,2,0,0|2,0,0]=4 904 B12R2.2456 OC(=O)[C@@H]1CC[C@H]2CC(=O)[C@@H]12 Amb22746566 [0,0,0,2,0,0|2,0,0]=4 905 B12R2.2456 OC(=O)[C@H]1CC[C@@H]2CC(=O)N12 Amb24078284 [0,0,0,2,0,0|2,0,0]=4 906 B12R2.2456 OC(=O)[C@H]1CC[C@@H]2CC(=O)[C@H]12 Amb25198926 [0,0,0,2,0,0|2,0,0]=4 907 B12R2.2456 OC(=O)[C@H]1CC[C@H]2CC(=O)N12 Amb24078285 [0,0,0,2,0,0|2,0,0]=4 908 B12R2.2456 OC(=O)[C@H]1CO[C@@H]2CC(=O)N21 Amb24611983 [0,0,0,2,0,0|1,1,0]=4 909 B12R2.2456 OC(=O)[C@H]1CS[C@@H]2CC(=O)[C@@H]21 Amb24519527 [0,0,0,2,0,0|1,0,0]=3 910 B12R2.216 O=C1CC2CCC(C1)OC2=O Amb25773410 [0,0,0,2,0,0|2,0,0]=4 911 B12R2.1085 OC(=O)[C@@H]1[C@H]2[C@@H]1CCCC2=O Amb25241561 [0,0,0,2,0,0|2,0,0]=4 912 B12R2.1129 OC(=O)C1C2CCC1CC2=O Amb23454067 [0,0,0,2,0,0|2,0,0]=4 913 B12R2.1129 OC(=O)C1[C@H]2CCC1CC2=O Amb24373191 [0,0,0,2,0,0|2,0,0]=4 914 B12R2.1129 OC(=O)C1[C@H]2CC[C@@H]1CC2=O Amb25363337 [0,0,0,2,0,0|2,0,0]=4 915 B12R2.1129 OC(=O)C1[C@H]2CC[C@H]1CC2=O Amb25227415 [0,0,0,2,0,0|2,0,0]=4 916 B12R2.1129 OC(=O)[C@@H]1[C@@H]2CC[C@H]1CC2=O Amb25279518 [0,0,0,2,0,0|2,0,0]=4 917 B12R2.765 OC(=O)[C@@H]1CC(=O)[C@H]2CC[C@@H]12 Amb24552895 [0,0,0,2,0,0|2,0,0]=4 918 B12R2.765 OC(=O)[C@H]1CC(=O)[C@@H]2CC[C@H]12 Amb24552894 [0,0,0,2,0,0|2,0,0]=4 919 B12R2.1247 OC(=O)[C@@H]1C[C@H]2C[C@H]2C(=O)N1 Amb25201535 [0,0,0,2,0,0|2,0,0]=4 920 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [0,0,0,0,2,0|2,0,0]=4 921 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [0,0,0,0,2,0|2,0,0]=4 922 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [0,0,0,0,2,0|2,0,0]=4 923 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [0,0,0,0,2,0|2,0,0]=4 924 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [0,0,0,0,2,0|1,0,0]=3 925 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [0,0,0,0,2,0|2,0,0]=4 926 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [0,0,0,0,2,0|2,0,0]=4 927 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [0,0,0,0,2,0|2,0,0]=4 928 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [0,0,0,0,2,0|2,0,0]=4 929 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [0,0,0,0,2,0|1,0,1]=4 930 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [0,0,0,0,2,0|1,1,0]=4 931 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [0,0,0,0,2,0|2,0,0]=4 932 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [0,0,0,0,2,0|1,1,0]=4 933 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [0,0,0,0,2,0|1,0,1]=4 934 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [0,0,0,0,2,0|1,0,1]=4 935 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [0,0,0,0,2,0|2,0,0]=4 936 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [0,0,0,0,2,0|1,0,1]=4 937 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [0,0,0,0,2,0|2,0,0]=4 938 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [0,0,0,0,2,0|2,0,0]=4 939 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [0,0,0,0,2,0|2,0,0]=4 940 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [0,0,0,0,2,0|1,0,0]=3 941 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [0,0,0,0,2,0|0,0,2]=4 942 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [0,0,0,0,2,0|1,0,0]=3 943 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [0,0,0,0,2,0|0,0,0]=2 944 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [0,0,0,0,2,0|0,0,0]=2 945 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [0,0,0,0,2,0|1,0,0]=3 946 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [0,0,0,0,2,0|2,0,0]=4 947 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [0,0,0,0,2,0|2,0,0]=4 948 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [0,0,0,0,2,0|1,0,0]=3 949 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [0,0,0,0,2,0|2,0,0]=4 950 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [0,0,0,0,2,0|1,1,0]=4 951 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [0,0,0,0,2,0|0,0,2]=4 952 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [0,0,0,0,2,0|0,2,0]=4 953 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [0,0,0,0,2,0|0,0,2]=4 954 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [0,0,0,0,2,0|0,0,0]=2 955 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [0,0,0,0,2,0|0,0,2]=4 956 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [0,0,0,0,2,0|1,0,1]=4 957 B12R0.268 NC(=O)OCCSCCOC(N)=O Amb22467446 [0,0,0,0,0,2|2,0,0]=4 958 B12R0.268 OC(=O)CCCCCCCC(O)=O Amb22336282 [0,0,0,0,0,2|1,0,0]=3 959 B12R0.268 OC(=O)CNCCCNCC(O)=O Amb22733453 [0,0,0,0,0,2|1,0,0]=3 960 B12R0.268 OC(=O)CNCCCNCC(O)=O Amb24080859 [0,0,0,0,0,2|1,0,0]=3