0 B11R0.4 C=CCCCCCC(=O)OCC Amb6298912 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.4 C=COC(=O)CCCCCCC Amb17672562 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.4 CCCC(=O)NCCCCCN Amb18618681 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.4 CCCCCC#CC(=O)OCC Amb2721498 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.4 CCCCCCCC(=O)OCC Amb6608755 [0,0,0,0,0,0|0,0,2]=2 5 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.4 CCCCCCNC(=O)CCCl Amb8859151 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.4 CCCCCCNC(=O)CNC Amb9258707 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.4 CCCCCCOC(=O)OCCl Amb32413740 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.4 CCCCC\C=C\C(=O)OCC Amb33986022 [0,0,0,0,0,0|0,0,0]=0 10 B11R0.4 CCCCNCCC(=O)OCC Amb9024194 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.4 CCNC(=O)NCCCCCO Amb13883049 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.4 CCOC(=O)CCCCCC=O Amb8471024 [0,0,0,0,0,0|1,0,3]=4 14 B11R0.4 CCOC(=O)CCCCCCBr Amb2778976 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.4 CCOC(=O)CCCCCCI Amb32410628 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.4 CCOC(=O)CCCCCCN Amb7772452 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.4 CCOC(=O)CCCCCCN Amb8396796 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.4 CCOC(=O)CCCCCNC Amb32666565 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.4 CCOC(=O)CCCCCNC Amb32666566 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.4 CCOC(=O)CCNCCCO Amb9243305 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.4 CCOC(=O)CCNCCOC Amb9024155 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.4 CCOC(=O)CCOCCCN Amb18111491 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.4 CCOC(=O)CCOCCNC Amb18111839 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.4 CCOC(=O)CCSCCCN Amb33802453 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.4 CCOC(=O)NCCCCCN Amb24103492 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.4 CCOC(=O)NCCCCCO Amb13883047 [0,0,0,0,0,0|2,0,1]=3 27 B11R0.4 CCOC(=O)\C=C\CCCCCl Amb8631721 [0,0,0,0,0,0|1,0,0]=1 28 B11R0.4 CCOCCC#CC(=O)OCC Amb33168677 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.4 CCOCCOCC(=O)OCC Amb9206357 [0,0,0,0,0,0|2,0,1]=3 30 B10R0.1 C=CCCCCC(=O)OCC Amb6298911 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.1 CC#CCCNC(=O)OCC Amb27989831 [1,0,0,0,0,0|1,0,2]=4 32 B10R0.1 CCCC(=O)OCCCCO Amb21929137 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.1 CCCC(=O)OCCCSC Amb31291621 [1,0,0,0,0,0|3,0,0]=4 34 B10R0.1 CCCCC#CC(=O)CCC Amb28080359 [1,0,0,0,0,0|1,0,2]=4 35 B10R0.1 CCCCC#CC(=O)OCC Amb2721492 [1,0,0,0,0,0|0,0,2]=3 36 B10R0.1 CCCCCCC(=O)CCC Amb8513848 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.1 CCCCCCC(=O)OCC Amb8515401 [1,0,0,0,0,0|0,0,1]=2 38 B10R0.1 CCCCCNC(=O)CCC Amb3366667 [1,0,0,0,0,0|2,0,0]=3 39 B10R0.1 CCCCCNC(=O)CCCl Amb6246121 [1,0,0,0,0,0|3,0,0]=4 40 B10R0.1 CCCCCNC(=O)CCN Amb5785074 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.1 CCCCCNC(=O)CNC Amb6268709 [1,0,0,0,0,0|3,0,0]=4 42 B10R0.1 CCCCNCC(=O)OCC Amb6709616 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.1 CCCNCCC(=O)OCC Amb8867150 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.1 CCNCC#CC(=O)OCC Amb33168676 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.1 CCNCCCC(=O)NCC Amb33229013 [1,0,0,0,0,0|2,0,1]=4 46 B10R0.1 CCNCCCC(=O)OCC Amb33228999 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.1 CCOC(=O)C#CCCCN Amb33168620 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.1 CCOC(=O)CCCCC#N Amb32665125 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.1 CCOC(=O)CCCCCBr Amb2720508 [1,0,0,0,0,0|1,0,1]=3 50 B10R0.1 CCOC(=O)CCCCCCl Amb32665801 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.1 CCOC(=O)CCCCCN Amb10553125 [1,0,0,0,0,0|1,0,1]=3 52 B10R0.1 CCOC(=O)CCCCCN Amb6479233 [1,0,0,0,0,0|1,0,1]=3 53 B10R0.1 CCOC(=O)CCCCCO Amb3939201 [1,0,0,0,0,0|1,0,1]=3 54 B10R0.1 CCOC(=O)CCCCNC Amb33803534 [1,0,0,0,0,0|1,0,1]=3 55 B10R0.1 CCOC(=O)CCNCCN Amb18792258 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.1 CCOC(=O)CNCCOC Amb33527977 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.1 CCOC(=O)COCCOC Amb9206378 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.1 CCOC(=O)\C=C\C=C\CO Amb8394083 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.1 CCOC(=O)\C=C\CCCCl Amb19888384 [1,0,0,0,0,0|1,0,0]=2 60 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.71 CCCCCCCCOCC Amb9787535 [1,0,0,0,0,0|0,0,3]=4 62 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.71 CCCCC\C=C\C#CCO Amb27989913 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.71 C\C=C/C\C=C/CCCCC Amb22546768 [1,0,0,0,0,0|1,0,2]=4 66 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [1,0,0,0,0,0|1,0,2]=4 67 B10R0.74 C#CCCN\C=C\C(=O)OC Amb28386714 [1,0,0,0,0,0|1,0,2]=4 68 B10R0.74 CCC(=O)NCCCCCN Amb18102728 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.74 CCCCC#CCC(=O)OC Amb27673306 [1,0,0,0,0,0|0,0,3]=4 70 B10R0.74 CCCCCC#CC(=O)CF Amb25383110 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.74 CCCCCC#CC(=O)OC Amb2721698 [1,0,0,0,0,0|0,0,2]=3 72 B10R0.74 CCCCCCCC(=O)CC Amb6366429 [1,0,0,0,0,0|0,0,2]=3 73 B10R0.74 CCCCCCCC(=O)OC Amb8516706 [1,0,0,0,0,0|0,0,2]=3 74 B10R0.74 CCCCCCNC(=O)CBr Amb17331633 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.74 CCCCCCNC(=O)CCl Amb6753822 [1,0,0,0,0,0|2,0,1]=4 76 B10R0.74 CCCCCCNC(=O)CN Amb9279196 [1,0,0,0,0,0|2,0,1]=4 77 B10R0.74 CCCCCCOC(=O)CCl Amb9787731 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.74 CCCCCCOC(=O)CN Amb2688622 [1,0,0,0,0,0|2,0,1]=4 79 B10R0.74 CCCCCCOC(=O)CS Amb2778632 [1,0,0,0,0,0|2,0,1]=4 80 B10R0.74 CCCCCC\C=C(\I)CC Amb22641682 [1,0,0,0,0,0|1,0,1]=3 81 B10R0.74 CCCCC\C=C\C(=O)OC Amb24066773 [1,0,0,0,0,0|0,0,0]=1 82 B10R0.74 CCOCCC#CC(=O)OC Amb33168826 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.74 CCOCCOCC(=O)OC Amb9206358 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.74 COC(=O)C#CCCCCBr Amb27672184 [1,0,0,0,0,0|1,0,2]=4 85 B10R0.74 COC(=O)C#CCCCCCl Amb27990063 [1,0,0,0,0,0|1,0,2]=4 86 B10R0.74 COC(=O)CCCCCCBr Amb10604007 [1,0,0,0,0,0|1,0,2]=4 87 B10R0.74 COC(=O)CCCCCCI Amb32410699 [1,0,0,0,0,0|1,0,2]=4 88 B10R0.74 COC(=O)CCCCCCN Amb35747961 [1,0,0,0,0,0|1,0,2]=4 89 B10R0.74 COC(=O)CCCCCCN Amb7762677 [1,0,0,0,0,0|1,0,2]=4 90 B10R0.74 COC(=O)CCCCCCN Amb7969645 [1,0,0,0,0,0|1,0,2]=4 91 B10R0.74 COC(=O)CCCCCCO Amb13887312 [1,0,0,0,0,0|1,0,2]=4 92 B10R0.74 COC(=O)\C=C\C#CCCO Amb28065166 [1,0,0,0,0,0|1,0,2]=4 93 B10R0.74 COCCCNCC(=O)OC Amb9204008 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.74 C\C=C\CN\C=C\C(=O)OC Amb28387914 [1,0,0,0,0,0|1,0,2]=4 95 B12R0.1 C=CCCCCCCC(=O)OCC Amb6298913 [0,1,0,0,0,0|0,0,3]=4 96 B12R0.1 CCCCCCCCC(=O)OCC Amb8515442 [0,1,0,0,0,0|0,0,2]=3 97 B12R0.1 CCCCCCCCC(=O)OCCl Amb32414071 [0,1,0,0,0,0|1,0,2]=4 98 B12R0.1 CCCCCNCCC(=O)OCC Amb9024160 [0,1,0,0,0,0|0,0,2]=3 99 B12R0.1 CCCCOCCOC(=O)CCC Amb9787610 [0,1,0,0,0,0|2,0,1]=4 100 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [0,1,0,0,0,0|2,0,1]=4 101 B12R0.1 CCOC(=O)CCCCCCCBr Amb10604167 [0,1,0,0,0,0|0,0,2]=3 102 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,0,0,0,0|0,0,2]=3 103 B12R0.1 CCOC(=O)CCCCCCCI Amb32410617 [0,1,0,0,0,0|0,0,2]=3 104 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,0,0,0,0|0,0,2]=3 105 B12R0.1 CCOC(=O)CCCCCCCN Amb33309141 [0,1,0,0,0,0|0,0,2]=3 106 B12R0.1 CCOC(=O)CCCCCCCO Amb32662870 [0,1,0,0,0,0|0,0,2]=3 107 B12R0.1 CCOC(=O)CCNCCCOC Amb9024208 [0,1,0,0,0,0|1,0,2]=4 108 B12R0.1 CCOCCNCCC(=O)OCC Amb9454393 [0,1,0,0,0,0|1,0,2]=4 109 B12R0.4 CCCCCCCC(=O)CC(C)C Amb4605882 [0,1,0,0,0,0|1,0,2]=4 110 B12R0.49 CCCCCCOC(=O)C(C)CC Amb22363231 [0,1,0,0,0,0|2,0,1]=4 111 B12R0.101 CCCCC(=O)CCC(=O)OCC Amb6305811 [0,1,0,0,0,0|0,0,3]=4 112 B12R0.101 CCCCC(C)C#CC(=O)OCC Amb33168659 [0,1,0,0,0,0|0,0,2]=3 113 B12R0.101 CCCCC(N)C#CC(=O)OCC Amb33168621 [0,1,0,0,0,0|0,0,2]=3 114 B12R0.101 CCCCN(C)CCC(=O)OCC Amb8867189 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.101 CCNCC(C)C#CC(=O)OCC Amb33168707 [0,1,0,0,0,0|1,0,2]=4 116 B12R0.101 CCOC(=O)C#CC(N)CCOC Amb33168704 [0,1,0,0,0,0|1,0,2]=4 117 B12R0.114 CCCCCCC(N)C(=O)OCC Amb19059298 [0,1,0,0,0,0|0,0,2]=3 118 B12R0.114 CCCOCCC(N)C(=O)OCC Amb19040681 [0,1,0,0,0,0|1,0,2]=4 119 B12R0.114 CCOC(=O)C(=O)CCCCC#N Amb6299624 [0,1,0,0,0,0|1,0,2]=4 120 B12R0.114 CCOC(=O)C(=O)CCCCCCl Amb6299632 [0,1,0,0,0,0|1,0,1]=3 121 B12R0.114 CCOC(=O)C(N)CCCCCF Amb33036481 [0,1,0,0,0,0|1,0,2]=4 122 B12R0.114 CCOC(=O)C(N)CCCCCO Amb33065905 [0,1,0,0,0,0|1,0,2]=4 123 B12R0.114 CCOC(=O)C(N)CCCCOC Amb33065615 [0,1,0,0,0,0|1,0,2]=4 124 B12R0.114 CCOC(=O)C(N)CCCSCC Amb33065398 [0,1,0,0,0,0|1,0,2]=4 125 B12R0.114 CCOCCCC(N)C(=O)OCC Amb33036799 [0,1,0,0,0,0|1,0,2]=4 126 B12R0.206 CCCCCCCC(=O)CCCC Amb6366430 [0,1,0,0,0,0|1,0,2]=4 127 B12R0.206 CCCCCCCC(=O)NCCO Amb9274002 [0,1,0,0,0,0|1,0,2]=4 128 B12R0.206 CCCCCCCC(=O)SCCO Amb34913759 [0,1,0,0,0,0|0,1,2]=4 129 B12R0.239 CCCCCC(=O)CC(=O)OCC Amb10572783 [0,1,0,0,0,0|0,0,1]=2 130 B12R0.239 CCCCCC(N)CC(=O)OCC Amb33254782 [0,1,0,0,0,0|0,0,2]=3 131 B12R0.239 CCCCCC(O)CC(=O)OCC Amb19071694 [0,1,0,0,0,0|0,0,2]=3 132 B12R0.239 CCCCC\C(C)=C\C(=O)OCC Amb33493109 [0,1,0,0,0,0|0,0,0]=1 133 B12R0.239 CCOC(=O)CC(=O)CCCCCl Amb31291495 [0,1,0,0,0,0|1,0,1]=3 134 B12R0.239 CCOC(=O)CC(=O)CCCOC Amb32664516 [0,1,0,0,0,0|1,0,1]=3 135 B12R0.239 CCOC(=O)CC(N)CCCSC Amb33255658 [0,1,0,0,0,0|1,0,2]=4 136 B12R0.239 CCOC(=O)CC(N)CCSCC Amb33255020 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.239 CCOCCC(=O)CC(=O)OCC Amb33356219 [0,1,0,0,0,0|1,0,1]=3 138 B12R0.276 CCOC(=O)C#CCNC(C)CC Amb33168688 [0,1,0,0,0,0|1,0,2]=4 139 B12R0.276 CCOC(=O)CCCCC(=O)CC Amb6305808 [0,1,0,0,0,0|0,0,3]=4 140 B12R0.277 C=C(C)CCCCCC(=O)OCC Amb6298924 [0,1,0,0,0,0|0,0,3]=4 141 B12R0.277 CCOC(=O)CCCCCC(C)C Amb32660960 [0,1,0,0,0,0|0,0,2]=3 142 B12R0.277 CCOC(=O)CCNCCC(C)C Amb8867191 [0,1,0,0,0,0|1,0,2]=4 143 B12R0.277 CCOC(=O)COCCOC(C)C Amb9206393 [0,1,0,0,0,0|2,0,1]=4 144 B12R0.285 CCCC(=O)CCCC(=O)OCC Amb6305822 [0,1,0,0,0,0|0,0,3]=4 145 B12R0.285 CCCC(=O)OCCC(S)CCC Amb22168266 [0,1,0,0,0,0|2,0,1]=4 146 B12R0.285 CCCN(C)C\C=C\C(=O)OCC Amb33228405 [0,1,0,0,0,0|1,0,0]=2 147 B12R0.285 CCNC(C)CC#CC(=O)OCC Amb33168709 [0,1,0,0,0,0|1,0,2]=4 148 B12R1.28 CCCC#CC1=CC(=O)CCC1 Amb27431703 [0,0,0,1,0,0|1,0,2]=4 149 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [0,0,0,1,0,0|2,0,1]=4 150 B12R1.28 CCCCNC1=CC(=O)CCC1 Amb25258387 [0,0,0,1,0,0|2,0,0]=3 151 B12R1.28 C\C=C/CCC1=CC(=O)CCC1 Amb27177577 [0,0,0,1,0,0|1,0,2]=4 152 B12R1.28 N#CCCCC1=CC(=O)NCC1 Amb28067809 [0,0,0,1,0,0|2,0,1]=4 153 B12R1.28 O=C1C=C(OCCCBr)CCC1 Amb33620506 [0,0,0,1,0,0|3,0,0]=4 154 B12R1.32 CCCC(=O)C=C1CCCCC1 Amb27170084 [0,0,0,1,0,0|1,0,0]=2 155 B12R1.32 CCCC(=O)NC1CCCCC1 Amb3097345 [0,0,0,1,0,0|2,0,1]=4 156 B12R1.32 CCCC(=O)OC1CCCCC1 Amb6357531 [0,0,0,1,0,0|2,0,1]=4 157 B12R1.32 CCCS(=O)N=C1CCCCC1 Amb35693200 [0,0,0,1,0,0|3,0,0]=4 158 B12R1.32 CCNC(=O)C=C1CCOCC1 Amb27178938 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.32 CCNC(=O)C=C1CCSCC1 Amb28293780 [0,0,0,1,0,0|2,0,0]=3 160 B12R1.32 CCNC(=O)CC1=CCCCC1 Amb27178772 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.32 CCNC(=O)NC1CCCCC1 Amb3361199 [0,0,0,1,0,0|2,0,1]=4 162 B12R1.32 CCNC(=O)OC1CCCCC1 Amb27449028 [0,0,0,1,0,0|2,0,1]=4 163 B12R1.32 CCOC(=O)C=C1CCCCC1 Amb9826843 [0,0,0,1,0,0|0,0,0]=1 164 B12R1.32 CCOC(=O)C=C1CCNCC1 Amb27831739 [0,0,0,1,0,0|1,0,0]=2 165 B12R1.32 CCOC(=O)C=C1CCOCC1 Amb10068018 [0,0,0,1,0,0|1,0,0]=2 166 B12R1.32 CCOC(=O)C=C1CCSCC1 Amb22226793 [0,0,0,1,0,0|1,0,0]=2 167 B12R1.32 CCOC(=O)CC1CCCCC1 Amb3940091 [0,0,0,1,0,0|0,0,2]=3 168 B12R1.32 CCOC(=O)CC1CCCCN1 Amb10607295 [0,0,0,1,0,0|1,0,2]=4 169 B12R1.32 CCOC(=O)CC1CCCCN1 Amb24081254 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.32 CCOC(=O)CC1CCCCO1 Amb1094048 [0,0,0,1,0,0|1,0,2]=4 171 B12R1.32 CCOC(=O)CC1CCCNC1 Amb33527308 [0,0,0,1,0,0|1,0,2]=4 172 B12R1.32 CCOC(=O)CC1CCCNC1 Amb8396693 [0,0,0,1,0,0|1,0,2]=4 173 B12R1.32 CCOC(=O)CC1CCNCC1 Amb2690389 [0,0,0,1,0,0|1,0,2]=4 174 B12R1.32 CCOC(=O)CC1CCNCC1 Amb8396701 [0,0,0,1,0,0|1,0,2]=4 175 B12R1.32 CCOC(=O)CC1CCOCC1 Amb2684133 [0,0,0,1,0,0|1,0,2]=4 176 B12R1.32 CCOC(=O)CC1CCSCC1 Amb22230694 [0,0,0,1,0,0|1,0,2]=4 177 B12R1.32 CCOC(=O)CN1CCCCC1 Amb3938991 [0,0,0,1,0,0|1,0,1]=3 178 B12R1.32 CCOC(=O)CN1CCNCC1 Amb2371569 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.32 CCOC(=O)CN1CCOCC1 Amb4006624 [0,0,0,1,0,0|2,0,1]=4 180 B12R1.32 CCOC(=O)CN1CCSCC1 Amb7775296 [0,0,0,1,0,0|2,0,1]=4 181 B12R1.32 CCOC(=O)C[C@@H]1CCCCN1 Amb33744605 [0,0,0,1,0,0|1,0,2]=4 182 B12R1.32 CCOC(=O)C[C@@H]1CCCNC1 Amb33804213 [0,0,0,1,0,0|1,0,2]=4 183 B12R1.32 CCOC(=O)C[C@@H]1CCCNC1 Amb8396694 [0,0,0,1,0,0|1,0,2]=4 184 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 Amb31379134 [0,0,0,1,0,0|1,0,2]=4 185 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 Amb33621108 [0,0,0,1,0,0|1,0,2]=4 186 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 Amb8396695 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.32 CCOC(=O)N=C1NCCCN1 Amb28365641 [0,0,0,1,0,0|3,0,0]=4 188 B12R1.32 CCOC(=O)NC1CCCCC1 Amb17846666 [0,0,0,1,0,0|1,0,1]=3 189 B12R1.32 CCOC(=O)NC1CCCNC1 Amb6248463 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.32 CCOC(=O)NC1CCNCC1 Amb10610352 [0,0,0,1,0,0|2,0,1]=4 191 B12R1.32 CCOC(=O)NC1CCNCC1 Amb6247213 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.32 CCOC(=O)NC1CCSCC1 Amb27748510 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.32 CCOC(=O)NN1CCNCC1 Amb18127085 [0,0,0,1,0,0|3,0,0]=4 194 B12R1.32 CCOC(=O)N[C@@H]1CCCNC1 Amb27964975 [0,0,0,1,0,0|2,0,1]=4 195 B12R1.32 CCOC(=O)N[C@H]1CCCOC1 Amb27977663 [0,0,0,1,0,0|2,0,1]=4 196 B12R1.32 CCOC(=O)\C=C1/CCCNC1 Amb19958705 [0,0,0,1,0,0|1,0,0]=2 197 B12R1.32 CCOC(=O)\C=C1/CCCSC1 Amb33212520 [0,0,0,1,0,0|1,0,0]=2 198 B12R1.32 CCOC(=O)\C=C1/COCCN1 Amb22900976 [0,0,0,1,0,0|2,0,0]=3 199 B12R1.32 CCOC(=O)\C=C1\CCCCN1 Amb18826003 [0,0,0,1,0,0|1,0,0]=2 200 B12R1.32 CCOC(=O)\C=C1\CCCNC1 Amb21959312 [0,0,0,1,0,0|1,0,0]=2 201 B12R1.32 CCOC(=O)\C=C1\CCCNC1 Amb22264368 [0,0,0,1,0,0|1,0,0]=2 202 B12R1.32 CCOC(=O)\C=C1\CCCOC1 Amb33212521 [0,0,0,1,0,0|1,0,0]=2 203 B12R1.32 CCOC(=O)\C=C1\CCCSC1 Amb33468705 [0,0,0,1,0,0|1,0,0]=2 204 B12R1.32 CCOC(=O)\C=C1\NCCCS1 Amb28132381 [0,0,0,1,0,0|2,0,0]=3 205 B12R1.32 CCO\C(C)=N\C1CCCCC1 Amb27222324 [0,0,0,1,0,0|2,0,1]=4 206 B12R1.32 CCO\C(N)=N\C1CCCCC1 Amb27865606 [0,0,0,1,0,0|2,0,1]=4 207 B12R1.32 CCSC(=O)NC1CCCCC1 Amb2746996 [0,0,0,1,0,0|1,1,1]=4 208 B12R1.32 CONC(=O)C=C1CCCCC1 Amb27452949 [0,0,0,1,0,0|2,0,0]=3 209 B12R1.32 CONC(=O)C=C1CCOCC1 Amb27163946 [0,0,0,1,0,0|3,0,0]=4 210 B12R1.32 O=C(NN1CCCCC1)OCCl Amb30032535 [0,0,0,1,0,0|3,0,0]=4 211 B12R1.32 O=C(OCCl)OC1CCCCC1 Amb20623531 [0,0,0,1,0,0|2,0,1]=4 212 B12R1.32 O=C(\C=C1\CCCCN1)CCO Amb27632051 [0,0,0,1,0,0|3,0,0]=4 213 B12R1.32 O=CCC(=O)C=C1CCCCC1 Amb27799901 [0,0,0,1,0,0|2,0,1]=4 214 B12R1.37 CCCCC\C=C\C1OCCO1 Amb25375130 [0,0,0,1,0,0|0,0,2]=3 215 B12R1.51 CC#CC(=O)\C=C/C1CCCC1 Amb27177840 [0,0,0,1,0,0|1,0,1]=3 216 B12R1.51 CCNC(=O)NOC1CCCC1 Amb27215211 [0,0,0,1,0,0|3,0,0]=4 217 B12R1.51 CCOC(=O)C#CC1CCCC1 Amb24732157 [0,0,0,1,0,0|0,0,2]=3 218 B12R1.51 CCOC(=O)C#CC1CCCN1 Amb33168622 [0,0,0,1,0,0|1,0,2]=4 219 B12R1.51 CCOC(=O)C#CC1CCCO1 Amb33168635 [0,0,0,1,0,0|1,0,2]=4 220 B12R1.51 CCOC(=O)C#CC1CCCS1 Amb33168739 [0,0,0,1,0,0|1,0,2]=4 221 B12R1.51 CCOC(=O)C#CC1CCOC1 Amb33168674 [0,0,0,1,0,0|1,0,2]=4 222 B12R1.51 CCOC(=O)CCC1CCCN1 Amb33748497 [0,0,0,1,0,0|1,0,2]=4 223 B12R1.51 CCOC(=O)CCC1CCNC1 Amb22002528 [0,0,0,1,0,0|1,0,2]=4 224 B12R1.51 CCOC(=O)CCC1CCOC1 Amb20247595 [0,0,0,1,0,0|1,0,2]=4 225 B12R1.51 CCOC(=O)CCN1CCCC1 Amb33545713 [0,0,0,1,0,0|1,0,2]=4 226 B12R1.51 CCOC(=O)CC[C@@H]1CCCN1 Amb33748619 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.51 CCOC(=O)CC[C@H]1CCCN1 Amb33747359 [0,0,0,1,0,0|1,0,2]=4 228 B12R1.51 CCOC(=O)CNC1CCCC1 Amb33534543 [0,0,0,1,0,0|1,0,1]=3 229 B12R1.51 CCOC(=O)CNC1CCCC1 Amb6707360 [0,0,0,1,0,0|1,0,1]=3 230 B12R1.51 CCOC(=O)COC1CCCC1 Amb9206353 [0,0,0,1,0,0|1,0,1]=3 231 B12R1.51 CCOC(=O)COC1CCNC1 Amb34912609 [0,0,0,1,0,0|2,0,1]=4 232 B12R1.51 CCOC(=O)CO[C@@H]1CCNC1 Amb33802278 [0,0,0,1,0,0|2,0,1]=4 233 B12R1.51 CCOC(=O)CO[C@@H]1CCNC1 Amb33804610 [0,0,0,1,0,0|2,0,1]=4 234 B12R1.51 CCOC(=O)CO[C@H]1CCNC1 Amb33802277 [0,0,0,1,0,0|2,0,1]=4 235 B12R1.51 CCOC(=O)CO[C@H]1CCNC1 Amb33804699 [0,0,0,1,0,0|2,0,1]=4 236 B12R1.51 CCOC(=O)NN=C1CCCC1 Amb2753738 [0,0,0,1,0,0|2,0,1]=4 237 B12R1.51 CCOC(=O)\C=C\C1CCCC1 Amb33469176 [0,0,0,1,0,0|0,0,0]=1 238 B12R1.51 CCOC(=O)\C=C\C1CCOC1 Amb33469166 [0,0,0,1,0,0|1,0,0]=2 239 B12R1.51 CCOC(=O)\C=C\C1OCCO1 Amb26589960 [0,0,0,1,0,0|2,0,0]=3 240 B12R1.51 CCOC(=O)\C=C\N1CCCC1 Amb24089403 [0,0,0,1,0,0|1,0,0]=2 241 B12R1.69 CCCCC1=C(C)NC(=O)C=C1 Amb28388597 [0,0,0,1,0,0|1,0,2]=4 242 B12R1.69 CCCCC1=C(Cl)OC(=O)C=C1 Amb27840648 [0,0,0,1,0,0|1,0,2]=4 243 B12R1.141 CC1CCCCCCCC(=O)N1 Amb27616243 [0,0,0,1,0,0|1,0,2]=4 244 B12R1.173 NCCC1=CCCCCCC=C1 Amb26398693 [0,0,0,1,0,0|3,0,0]=4 245 B12R1.215 O=C1C=CCCC=CCCCC1 Amb28198631 [0,0,0,1,0,0|1,0,2]=4 246 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|1,0,2]=4 247 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,2]=4 248 B12R1.308 C=C(OCC)C1=CCCCC1=O Amb33135793 [0,0,0,1,0,0|2,0,1]=4 249 B12R1.308 CC1CCCC=C1C(=O)N=[N+]=[N-] Amb28198866 [0,0,0,1,0,0|3,0,0]=4 250 B12R1.308 CCCC(=O)C1CCCCC1C Amb27177828 [0,0,0,1,0,0|1,0,2]=4 251 B12R1.308 CCNC(=O)N1CCCCC1C Amb28382895 [0,0,0,1,0,0|2,0,1]=4 252 B12R1.308 CCOC(=O)C1=C(C)OCCC1 Amb2782914 [0,0,0,1,0,0|1,0,2]=4 253 B12R1.308 CCOC(=O)C1=C(N)CCCC1 Amb6357297 [0,0,0,1,0,0|1,0,2]=4 254 B12R1.308 CCOC(=O)C1=C(S)CCCC1 Amb22232455 [0,0,0,1,0,0|1,0,2]=4 255 B12R1.308 CCOC(=O)C1=CCCCC1=O Amb17594202 [0,0,0,1,0,0|1,0,1]=3 256 B12R1.308 CCOC(=O)C1=CCCCC1Br Amb27770804 [0,0,0,1,0,0|1,0,0]=2 257 B12R1.308 CCOC(=O)C1=CCCCC1Cl Amb28343172 [0,0,0,1,0,0|1,0,0]=2 258 B12R1.308 CCOC(=O)C1=CCCCC1O Amb27158849 [0,0,0,1,0,0|1,0,0]=2 259 B12R1.308 CCOC(=O)C1=CCCC[C@H]1O Amb27835150 [0,0,0,1,0,0|1,0,0]=2 260 B12R1.308 CCOC(=O)C1CCCCC1Cl Amb25690304 [0,0,0,1,0,0|1,0,2]=4 261 B12R1.308 CCOC(=O)C1CCCCC1N Amb22757239 [0,0,0,1,0,0|1,0,2]=4 262 B12R1.308 CCOC(=O)C1CCCCC1N Amb2610638 [0,0,0,1,0,0|1,0,2]=4 263 B12R1.308 CCOC(=O)C1CCCCC1N Amb32652160 [0,0,0,1,0,0|1,0,2]=4 264 B12R1.308 CCOC(=O)C1CCCCC1O Amb2695583 [0,0,0,1,0,0|1,0,2]=4 265 B12R1.308 CCOC(=O)C1CCCCN1C Amb28990936 [0,0,0,1,0,0|1,0,2]=4 266 B12R1.308 CCOC(=O)C1CCCCN1C Amb9703171 [0,0,0,1,0,0|1,0,2]=4 267 B12R1.308 CCOC(=O)C1CCCNC1C Amb18647516 [0,0,0,1,0,0|1,0,2]=4 268 B12R1.308 CCOC(=O)C1CCCNC1C Amb22728543 [0,0,0,1,0,0|1,0,2]=4 269 B12R1.308 CCOC(=O)C1CCCOC1C Amb27412041 [0,0,0,1,0,0|1,0,2]=4 270 B12R1.308 CCOC(=O)C1CCNCC1C Amb19889853 [0,0,0,1,0,0|1,0,2]=4 271 B12R1.308 CCOC(=O)C1CCNCC1C Amb28122862 [0,0,0,1,0,0|1,0,2]=4 272 B12R1.308 CCOC(=O)C1CNCCC1C Amb18647513 [0,0,0,1,0,0|1,0,2]=4 273 B12R1.308 CCOC(=O)C1NCCCC1C Amb25279911 [0,0,0,1,0,0|1,0,1]=3 274 B12R1.308 CCOC(=O)C1NCCCC1O Amb33624927 [0,0,0,1,0,0|2,0,1]=4 275 B12R1.308 CCOC(=O)C1NCCOC1C Amb27794627 [0,0,0,1,0,0|2,0,1]=4 276 B12R1.308 CCOC(=O)N1CCCCC1N Amb28123622 [0,0,0,1,0,0|2,0,1]=4 277 B12R1.308 CCOC(=O)N1CCCCC1O Amb25158090 [0,0,0,1,0,0|2,0,1]=4 278 B12R1.308 CCOC(=O)N1CCOCC1C Amb27973197 [0,0,0,1,0,0|2,0,1]=4 279 B12R1.308 CCOC(=O)N1CCOC[C@@H]1C Amb29862408 [0,0,0,1,0,0|2,0,1]=4 280 B12R1.308 CCOC(=O)N1CCOC[C@H]1C Amb27412763 [0,0,0,1,0,0|2,0,1]=4 281 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C Amb33523533 [0,0,0,1,0,0|1,0,2]=4 282 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb1993724 [0,0,0,1,0,0|1,0,2]=4 283 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb1993766 [0,0,0,1,0,0|1,0,2]=4 284 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Amb32661666 [0,0,0,1,0,0|1,0,2]=4 285 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O Amb6356278 [0,0,0,1,0,0|1,0,2]=4 286 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N Amb1994027 [0,0,0,1,0,0|1,0,2]=4 287 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1N Amb8514928 [0,0,0,1,0,0|1,0,2]=4 288 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O Amb8517115 [0,0,0,1,0,0|1,0,2]=4 289 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C Amb25288471 [0,0,0,1,0,0|1,0,2]=4 290 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C Amb33872160 [0,0,0,1,0,0|1,0,2]=4 291 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@H]1C Amb22756601 [0,0,0,1,0,0|1,0,2]=4 292 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@H]1C Amb28326011 [0,0,0,1,0,0|1,0,2]=4 293 B12R1.308 CCOC(=O)[C@@H]1CCCO[C@@H]1C Amb27804812 [0,0,0,1,0,0|1,0,2]=4 294 B12R1.308 CCOC(=O)[C@@H]1CCNC[C@@H]1C Amb33871589 [0,0,0,1,0,0|1,0,2]=4 295 B12R1.308 CCOC(=O)[C@@H]1NCCC[C@@H]1C Amb33746980 [0,0,0,1,0,0|1,0,1]=3 296 B12R1.308 CCOC(=O)[C@@H]1NCCC[C@@H]1O Amb26532315 [0,0,0,1,0,0|2,0,1]=4 297 B12R1.308 CCOC(=O)[C@@H]1NCCO[C@H]1C Amb25299170 [0,0,0,1,0,0|2,0,1]=4 298 B12R1.308 CCOC(=O)[C@H]1CCCCC1N Amb28041038 [0,0,0,1,0,0|1,0,2]=4 299 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1O Amb8470927 [0,0,0,1,0,0|1,0,2]=4 300 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb10844965 [0,0,0,1,0,0|1,0,2]=4 301 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb22224866 [0,0,0,1,0,0|1,0,2]=4 302 B12R1.308 CCOC(=O)[C@H]1CCCC[C@H]1N Amb32652232 [0,0,0,1,0,0|1,0,2]=4 303 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C Amb22736672 [0,0,0,1,0,0|1,0,2]=4 304 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C Amb27202802 [0,0,0,1,0,0|1,0,2]=4 305 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C Amb26032480 [0,0,0,1,0,0|1,0,2]=4 306 B12R1.308 CCOC(=O)[C@H]1NCCO[C@@H]1C Amb33739349 [0,0,0,1,0,0|2,0,1]=4 307 B12R1.310 CCOC(=O)CCCNC1CC1 Amb21963937 [0,0,0,1,0,0|1,0,2]=4 308 B12R1.310 CCOC(=O)CCCNC1CC1 Amb28992682 [0,0,0,1,0,0|1,0,2]=4 309 B12R1.310 CCOC(=O)CCNCC1CC1 Amb9026196 [0,0,0,1,0,0|1,0,2]=4 310 B12R1.315 CCOC(=O)\C=C\CN1CCC1 Amb33228398 [0,0,0,1,0,0|1,0,0]=2 311 B12R1.316 CCOC(=O)C1CCCN1CC Amb16186925 [0,0,0,1,0,0|1,0,2]=4 312 B12R1.316 CCOC(=O)C1CCNC1CC Amb33728724 [0,0,0,1,0,0|1,0,2]=4 313 B12R1.316 CCOC(=O)C1NCCC1CC Amb18647522 [0,0,0,1,0,0|1,0,1]=3 314 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC Amb22225486 [0,0,0,1,0,0|1,0,2]=4 315 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1CN Amb33727438 [0,0,0,1,0,0|1,0,2]=4 316 B12R1.316 CCOC(=O)[C@@H]1OCC[C@@H]1CN Amb33231840 [0,0,0,1,0,0|2,0,1]=4 317 B12R1.316 CCOC(=O)[C@H]1CNC[C@@H]1CC Amb34199762 [0,0,0,1,0,0|1,0,2]=4 318 B12R1.316 CCOC(=O)c1ccnn1CC Amb20619743 [0,0,0,1,0,0|2,0,1]=4 319 B12R1.316 CCOC(=O)c1cnoc1CC Amb10605163 [0,0,0,1,0,0|2,0,1]=4 320 B12R1.318 CC1CCCC1NC(=O)OCCl Amb29885924 [0,0,0,1,0,0|2,0,1]=4 321 B12R1.318 CCCC(=O)NC1CCCC1C Amb28124036 [0,0,0,1,0,0|2,0,1]=4 322 B12R1.318 CCCS(=O)\N=C1/CCCC1C Amb35722186 [0,0,0,1,0,0|3,0,0]=4 323 B12R1.318 CCNC(=O)CC1=C(C)CCC1 Amb27794899 [0,0,0,1,0,0|1,0,2]=4 324 B12R1.318 CCNC(=O)\C=C1\CCOC1C Amb27178937 [0,0,0,1,0,0|2,0,0]=3 325 B12R1.318 CCOC(=O)CC1CCCC1N Amb33042699 [0,0,0,1,0,0|1,0,2]=4 326 B12R1.318 CCOC(=O)C[C@@H]1CCC[C@H]1N Amb33738389 [0,0,0,1,0,0|1,0,2]=4 327 B12R1.318 CCOC(=O)C[C@@H]1CNC[C@H]1C Amb32696961 [0,0,0,1,0,0|1,0,2]=4 328 B12R1.318 CCOC(=O)NC1CCOC1C Amb27166329 [0,0,0,1,0,0|2,0,1]=4 329 B12R1.318 CCOC(=O)NC1CCSC1C Amb27426680 [0,0,0,1,0,0|2,0,1]=4 330 B12R1.318 CCOC(=O)NC1COCC1C Amb35625480 [0,0,0,1,0,0|2,0,1]=4 331 B12R1.318 CCOC(=O)N[C@H]1CCC[C@@H]1O Amb28384993 [0,0,0,1,0,0|2,0,1]=4 332 B12R1.318 CCOC(=O)N[C@H]1CCC[C@H]1N Amb27778517 [0,0,0,1,0,0|2,0,1]=4 333 B12R1.318 CCOC(=O)\C=C1/CCSC1C Amb33212518 [0,0,0,1,0,0|1,0,0]=2 334 B12R1.318 CCOC(=O)\C=C1/NCCN1C Amb22524009 [0,0,0,1,0,0|2,0,0]=3 335 B12R1.318 CCOC(=O)\C=C1\CCCC1=O Amb24722973 [0,0,0,1,0,0|1,0,1]=3 336 B12R1.318 CCOC(=O)\C=C1\CCCC1C Amb25096628 [0,0,0,1,0,0|0,0,0]=1 337 B12R1.318 CCOC(=O)\C=C1\CCSC1C Amb33468701 [0,0,0,1,0,0|1,0,0]=2 338 B12R1.318 CCOC(=O)\C=C1\COCC1C Amb33493336 [0,0,0,1,0,0|1,0,0]=2 339 B12R1.318 CCOC(=O)\C=C1\NCCN1C Amb27185902 [0,0,0,1,0,0|2,0,0]=3 340 B12R1.348 CCCCC1=CCC(=O)CCC1 Amb27175982 [0,0,0,1,0,0|1,0,2]=4 341 B12R1.348 CCCCC1CCNC(=O)CC1 Amb28129642 [0,0,0,1,0,0|1,0,2]=4 342 B12R1.372 CCCCCCC1=CCCC1=O Amb533163 [0,0,0,1,0,0|1,0,2]=4 343 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [0,0,0,1,0,0|1,0,2]=4 344 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [0,0,0,1,0,0|2,0,1]=4 345 B12R1.456 Cc1cc(CCCCN)c(C)o1 Amb33343606 [0,0,0,1,0,0|2,0,1]=4 346 B12R1.542 CCCC1CNCC(=O)N1CC Amb27451351 [0,0,0,1,0,0|2,0,1]=4 347 B12R1.1564 C=CCC(=O)C1=CCCCCC1 Amb27770115 [0,0,0,1,0,0|1,0,2]=4 348 B12R1.1564 CCCC(=O)N1CCCCCC1 Amb5797569 [0,0,0,1,0,0|2,0,1]=4 349 B12R1.1564 CCNC(=O)C1=CCCCCC1 Amb28185750 [0,0,0,1,0,0|1,0,0]=2 350 B12R1.1564 CCNC(=O)C1CCCCCC1 Amb28399090 [0,0,0,1,0,0|1,0,2]=4 351 B12R1.1564 CCNC(=O)C1CCCCCN1 Amb23585565 [0,0,0,1,0,0|2,0,1]=4 352 B12R1.1564 CCOC(=N)C1CCCCCC1 Amb27398633 [0,0,0,1,0,0|1,0,2]=4 353 B12R1.1564 CCOC(=O)C1=CCCOCC1 Amb28247713 [0,0,0,1,0,0|1,0,0]=2 354 B12R1.1564 CCOC(=O)C1CCCCCC1 Amb18801871 [0,0,0,1,0,0|0,0,2]=3 355 B12R1.1564 CCOC(=O)C1CCCCCN1 Amb20669408 [0,0,0,1,0,0|1,0,1]=3 356 B12R1.1564 CCOC(=O)C1CCCCNC1 Amb25703141 [0,0,0,1,0,0|1,0,2]=4 357 B12R1.1564 CCOC(=O)C1CCCNCC1 Amb22491483 [0,0,0,1,0,0|1,0,2]=4 358 B12R1.1564 CCOC(=O)C1CCCNCC1 Amb22756039 [0,0,0,1,0,0|1,0,2]=4 359 B12R1.1564 CCOC(=O)C1CCCOCC1 Amb27761242 [0,0,0,1,0,0|1,0,2]=4 360 B12R1.1564 CCOC(=O)C1CCCSCC1 Amb30030978 [0,0,0,1,0,0|1,0,2]=4 361 B12R1.1564 CCOC(=O)C1CNCCCN1 Amb8630418 [0,0,0,1,0,0|2,0,1]=4 362 B12R1.1564 CCOC(=O)N1CCCCCC1 Amb6558184 [0,0,0,1,0,0|1,0,1]=3 363 B12R1.1564 CCOC(=O)N1CCCNCC1 Amb6248109 [0,0,0,1,0,0|2,0,1]=4 364 B12R1.1564 CCOC(=O)N1CCOCCN1 Amb32757609 [0,0,0,1,0,0|3,0,0]=4 365 B12R1.1564 CCSC(=O)N1CCCCCC1 Amb22234880 [0,0,0,1,0,0|1,1,1]=4 366 B12R1.1564 CNCC(=O)C1=CCCCCC1 Amb27656379 [0,0,0,1,0,0|2,0,0]=3 367 B12R1.1564 CSCC(=O)C1=CCCCCC1 Amb28124459 [0,0,0,1,0,0|2,0,0]=3 368 B12R1.1564 C\C=C\C(=O)C1=CCCCCC1 Amb26336774 [0,0,0,1,0,0|1,0,1]=3 369 B12R1.1564 O=C(OCCl)N1CCCCCC1 Amb29885931 [0,0,0,1,0,0|2,0,1]=4 370 B9R0.5 C#CCCCC(=O)OCC Amb18115788 [2,0,0,0,0,0|0,0,2]=4 371 B9R0.5 CCCC#CC(=O)OCC Amb2721493 [2,0,0,0,0,0|0,0,2]=4 372 B9R0.5 CCCC(=O)CCCCN Amb28058184 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.5 CCCC(=O)CCCSC Amb27758287 [2,0,0,0,0,0|2,0,0]=4 374 B9R0.5 CCCC(=O)\C=C/NCC Amb28321904 [2,0,0,0,0,0|2,0,0]=4 375 B9R0.5 CCCC(=O)\C=C\CCO Amb27409476 [2,0,0,0,0,0|2,0,0]=4 376 B9R0.5 CCCC(=O)\C=C\NCC Amb26617598 [2,0,0,0,0,0|2,0,0]=4 377 B9R0.5 CCCC(=O)\C=C\SCC Amb25146559 [2,0,0,0,0,0|2,0,0]=4 378 B9R0.5 CCCCCC(=O)CCC Amb2720457 [2,0,0,0,0,0|1,0,0]=3 379 B9R0.5 CCCCCC(=O)CCO Amb27627789 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.5 CCCCCC(=O)COC Amb27171123 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.5 CCCCCC(=O)NCC Amb3373540 [2,0,0,0,0,0|1,0,0]=3 382 B9R0.5 CCCCNC(=O)CCC Amb5797594 [2,0,0,0,0,0|2,0,0]=4 383 B9R0.5 CCCCNC(=O)NCC Amb4018863 [2,0,0,0,0,0|2,0,0]=4 384 B9R0.5 CCCCNC(=O)OCC Amb10552892 [2,0,0,0,0,0|1,0,0]=3 385 B9R0.5 CCCCNC(=S)OCC Amb27235690 [2,0,0,0,0,0|1,1,0]=4 386 B9R0.5 CCCCOC(=O)NCC Amb27412996 [2,0,0,0,0,0|2,0,0]=4 387 B9R0.5 CCCCOC(=O)OCCl Amb26509700 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.5 CCCCSC(=O)NCC Amb27462695 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.5 CCCNCC(=O)OCC Amb6714488 [2,0,0,0,0,0|1,0,0]=3 390 B9R0.5 CCCOCC(=N)OCC Amb27399250 [2,0,0,0,0,0|2,0,0]=4 391 B9R0.5 CCCSCC(=O)CCC Amb18800477 [2,0,0,0,0,0|2,0,0]=4 392 B9R0.5 CCC\C=C\C(=O)CCC Amb17593554 [2,0,0,0,0,0|1,0,0]=3 393 B9R0.5 CCC\C=C\C(=O)CCN Amb33327175 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.5 CCC\C=C\C(=O)CNC Amb33327172 [2,0,0,0,0,0|2,0,0]=4 395 B9R0.5 CCNC(=O)CCCCBr Amb17239684 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.5 CCNC(=O)CCCNC Amb28126927 [2,0,0,0,0,0|2,0,0]=4 397 B9R0.5 CCNC(=O)CCCOC Amb27179856 [2,0,0,0,0,0|2,0,0]=4 398 B9R0.5 CCNC(=O)\C=C\COC Amb27648735 [2,0,0,0,0,0|2,0,0]=4 399 B9R0.5 CCNC(=O)\C=C\OCC Amb28314257 [2,0,0,0,0,0|2,0,0]=4 400 B9R0.5 CCNCCC(=O)OCC Amb9026175 [2,0,0,0,0,0|1,0,0]=3 401 B9R0.5 CCOC(=N)CCCCBr Amb25890174 [2,0,0,0,0,0|2,0,0]=4 402 B9R0.5 CCOC(=N)CCCCCl Amb26392208 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.5 CCOC(=N)CCCOC Amb28141924 [2,0,0,0,0,0|2,0,0]=4 404 B9R0.5 CCOC(=O)CCCC#N Amb16233123 [2,0,0,0,0,0|1,0,1]=4 405 B9R0.5 CCOC(=O)CCCC=O Amb22230665 [2,0,0,0,0,0|1,0,1]=4 406 B9R0.5 CCOC(=O)CCCCBr Amb3940221 [2,0,0,0,0,0|1,0,0]=3 407 B9R0.5 CCOC(=O)CCCCI Amb4006406 [2,0,0,0,0,0|1,0,0]=3 408 B9R0.5 CCOC(=O)CCCCN Amb10807401 [2,0,0,0,0,0|1,0,0]=3 409 B9R0.5 CCOC(=O)CCCCN Amb33527726 [2,0,0,0,0,0|1,0,0]=3 410 B9R0.5 CCOC(=O)CCCNC Amb9204023 [2,0,0,0,0,0|1,0,0]=3 411 B9R0.5 CCOC(=O)CCCOC Amb27837737 [2,0,0,0,0,0|1,0,0]=3 412 B9R0.5 CCOC(=O)CCCSC Amb25058939 [2,0,0,0,0,0|1,0,0]=3 413 B9R0.5 CCOC(=O)CCNOC Amb27838886 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.5 CCOC(=O)CCSCC Amb9026307 [2,0,0,0,0,0|1,0,0]=3 415 B9R0.5 CCOC(=O)CNCCF Amb27754664 [2,0,0,0,0,0|2,0,0]=4 416 B9R0.5 CCOC(=O)CNCCN Amb30868135 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.5 CCOC(=O)COCCBr Amb8394720 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.5 CCOC(=O)COCCCl Amb19958740 [2,0,0,0,0,0|2,0,0]=4 419 B9R0.5 CCOC(=O)COCCN Amb25850783 [2,0,0,0,0,0|2,0,0]=4 420 B9R0.5 CCOC(=O)COCCN Amb28555601 [2,0,0,0,0,0|2,0,0]=4 421 B9R0.5 CCOC(=O)COCCO Amb24113532 [2,0,0,0,0,0|2,0,0]=4 422 B9R0.5 CCOC(=O)COCOC Amb27624738 [2,0,0,0,0,0|2,0,0]=4 423 B9R0.5 CCOC(=O)CSCSC Amb28144787 [2,0,0,0,0,0|2,0,0]=4 424 B9R0.5 CCOC(=O)NCCCF Amb27770329 [2,0,0,0,0,0|2,0,0]=4 425 B9R0.5 CCOC(=O)NCCNC Amb28126929 [2,0,0,0,0,0|2,0,0]=4 426 B9R0.5 CCOC(=O)OCCCBr Amb27231554 [2,0,0,0,0,0|2,0,0]=4 427 B9R0.5 CCOC(=O)OCCCCl Amb27594095 [2,0,0,0,0,0|2,0,0]=4 428 B9R0.5 CCOC(=O)OCCCF Amb24088656 [2,0,0,0,0,0|2,0,0]=4 429 B9R0.5 CCOC(=O)OCCCO Amb28050600 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.5 CCOC(=O)\C=C\CC=O Amb26587773 [2,0,0,0,0,0|1,0,1]=4 431 B9R0.5 CCOC(=O)\C=C\CCO Amb26008238 [2,0,0,0,0,0|1,0,0]=3 432 B9R0.5 CCOC(=O)\C=C\CCO Amb33715375 [2,0,0,0,0,0|1,0,0]=3 433 B9R0.5 CCOC(=O)\C=C\CNC Amb27227952 [2,0,0,0,0,0|1,0,0]=3 434 B9R0.5 CCOCCC(=O)OCC Amb6608774 [2,0,0,0,0,0|1,0,0]=3 435 B9R0.5 CCO\C=C\C(=O)OCC Amb2725613 [2,0,0,0,0,0|1,0,0]=3 436 B9R0.5 CCO\N=C\C(=O)OCC Amb27658669 [2,0,0,0,0,0|2,0,0]=4 437 B9R0.5 CC\C=C(/C)CCCCC Amb27666327 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.5 C\C=C\C(=O)CCCCC Amb25146367 [2,0,0,0,0,0|1,0,1]=4 439 B9R0.5 C\C=C\C(=O)\C=C\CCC Amb28126812 [2,0,0,0,0,0|1,0,1]=4 440 B9R0.5 C\C=C\C=C\C(=O)OCC Amb6297204 [2,0,0,0,0,0|0,0,2]=4 441 B9R0.5 [C-]#[N+]CCCC(=O)OCC Amb2235706 [2,0,0,0,0,0|1,0,1]=4 442 B9R0.45 CCC=C=CCCCCO Amb28248694 [2,0,0,0,0,0|1,0,1]=4 443 B9R0.45 CCCCCC=C=CCCl Amb27211387 [2,0,0,0,0,0|1,0,1]=4 444 B9R0.45 CCCCCCCOCC Amb26332517 [2,0,0,0,0,0|0,0,2]=4 445 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|1,0,1]=4 446 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|1,0,1]=4 447 B9R0.45 CCCCCC\C=C\OC Amb30621739 [2,0,0,0,0,0|0,0,1]=3 448 B9R0.45 CCCCC\C=C/CCBr Amb27781314 [2,0,0,0,0,0|1,0,1]=4 449 B9R0.45 CCCCC\C=C/CCO Amb9825885 [2,0,0,0,0,0|1,0,1]=4 450 B9R0.45 CCCCC\C=C\CCBr Amb27864879 [2,0,0,0,0,0|1,0,1]=4 451 B9R0.45 CCCCC\C=C\CCN Amb25123460 [2,0,0,0,0,0|1,0,1]=4 452 B9R0.45 CCCCC\C=C\CCO Amb27953070 [2,0,0,0,0,0|1,0,1]=4 453 B9R0.45 CCCCC\C=C\OCC Amb27590195 [2,0,0,0,0,0|0,0,0]=2 454 B9R0.45 CCCC\C=C/CCCC Amb27196227 [2,0,0,0,0,0|1,0,1]=4 455 B9R0.45 CCCC\C=C\C=C\CCl Amb27204911 [2,0,0,0,0,0|1,0,1]=4 456 B9R0.45 CCCC\C=C\C=C\CO Amb27445447 [2,0,0,0,0,0|1,0,1]=4 457 B9R0.45 CCCC\C=C\CCCC Amb2721542 [2,0,0,0,0,0|1,0,1]=4 458 B9R0.45 CCC\C=C\C=C\CCC Amb22641685 [2,0,0,0,0,0|1,0,1]=4 459 B9R0.45 CCC\C=C\CCCCC Amb22231673 [2,0,0,0,0,0|0,0,1]=3 460 B9R0.45 CCC\C=C\CCCCN Amb33373745 [2,0,0,0,0,0|1,0,1]=4 461 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|0,0,1]=3 462 B9R0.45 CC\C=C\COCCCC Amb25912010 [2,0,0,0,0,0|1,0,1]=4 463 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [2,0,0,0,0,0|0,0,1]=3 464 B9R0.45 C\C=C\C=C\CCCCBr Amb28137170 [2,0,0,0,0,0|1,0,1]=4 465 B9R0.46 CCC(=O)CCCCCO Amb27627259 [2,0,0,0,0,0|1,0,1]=4 466 B9R0.46 CCC(=O)NCCCCF Amb28313877 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.46 CCC(=O)NCCCCI Amb27839559 [2,0,0,0,0,0|2,0,0]=4 468 B9R0.46 CCC(=O)NCCCCN Amb17053701 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.46 CCC(=O)NCCCNC Amb9464380 [2,0,0,0,0,0|2,0,0]=4 470 B9R0.46 CCC(=O)NCCCOC Amb17775258 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.46 CCC(=O)NCCCSC Amb28201200 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.46 CCC(=O)OCCCCBr Amb28120684 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.46 CCC(=O)OCCCCCl Amb27494048 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.46 CCC(=O)OCCCCO Amb26485117 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.46 CCC(=O)OCCCSC Amb28070380 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.46 CCCCC#CC(=O)OC Amb2721692 [2,0,0,0,0,0|0,0,2]=4 477 B9R0.46 CCCCCCC(=O)CBr Amb24078361 [2,0,0,0,0,0|1,0,1]=4 478 B9R0.46 CCCCCCC(=O)CC Amb2720775 [2,0,0,0,0,0|0,0,1]=3 479 B9R0.46 CCCCCCC(=O)CF Amb27265611 [2,0,0,0,0,0|1,0,1]=4 480 B9R0.46 CCCCCCC(=O)CO Amb28254622 [2,0,0,0,0,0|1,0,1]=4 481 B9R0.46 CCCCCCC(=O)OC Amb9787230 [2,0,0,0,0,0|0,0,1]=3 482 B9R0.46 CCCCCNC(=O)CBr Amb17331497 [2,0,0,0,0,0|2,0,0]=4 483 B9R0.46 CCCCCNC(=O)CC Amb17736727 [2,0,0,0,0,0|1,0,0]=3 484 B9R0.46 CCCCCNC(=O)CCl Amb1225540 [2,0,0,0,0,0|2,0,0]=4 485 B9R0.46 CCCCCNC(=O)CN Amb5783142 [2,0,0,0,0,0|2,0,0]=4 486 B9R0.46 CCCCCOC(=O)CBr Amb22036620 [2,0,0,0,0,0|2,0,0]=4 487 B9R0.46 CCCCCOC(=O)CN Amb22277108 [2,0,0,0,0,0|2,0,0]=4 488 B9R0.46 CCCCCOC(=O)CO Amb27839431 [2,0,0,0,0,0|2,0,0]=4 489 B9R0.46 CCCCCOC(=O)OC Amb26480707 [2,0,0,0,0,0|1,0,0]=3 490 B9R0.46 CCCCCSC(=S)OC Amb27756971 [2,0,0,0,0,0|1,1,0]=4 491 B9R0.46 CCCCC\C=C(\C)CN Amb27249901 [2,0,0,0,0,0|2,0,0]=4 492 B9R0.46 CCCCC\C=C(\Cl)CCl Amb27632425 [2,0,0,0,0,0|2,0,0]=4 493 B9R0.46 CCCCC\C=C(\F)CO Amb27406000 [2,0,0,0,0,0|2,0,0]=4 494 B9R0.46 CCCCSCC(=O)OC Amb9262932 [2,0,0,0,0,0|1,0,1]=4 495 B9R0.46 CCCC\C=C\C(=O)OC Amb25339041 [2,0,0,0,0,0|0,0,0]=2 496 B9R0.46 CCCS\C=C\C(=O)OC Amb27837838 [2,0,0,0,0,0|1,0,0]=3 497 B9R0.46 CCC\C=C\CC(=O)CC Amb26948943 [2,0,0,0,0,0|0,0,2]=4 498 B9R0.46 CCC\C=C\CC(=O)OC Amb27452086 [2,0,0,0,0,0|0,0,2]=4 499 B9R0.46 CCNCCCC(=O)OC Amb22886193 [2,0,0,0,0,0|1,0,1]=4 500 B9R0.46 CCNCCCC(=O)OC Amb8951853 [2,0,0,0,0,0|1,0,1]=4 501 B9R0.46 CCOCCCC(=O)CC Amb9316826 [2,0,0,0,0,0|1,0,1]=4 502 B9R0.46 CCOCCCC(=O)OC Amb8961279 [2,0,0,0,0,0|1,0,1]=4 503 B9R0.46 CCON\C=C\C(=O)OC Amb28071266 [2,0,0,0,0,0|2,0,0]=4 504 B9R0.46 CC\C(C)=C\CCCCBr Amb27253547 [2,0,0,0,0,0|2,0,0]=4 505 B9R0.46 CNCCCCC(=O)OC Amb25725637 [2,0,0,0,0,0|1,0,1]=4 506 B9R0.46 CNCCCCC(=O)OC Amb32676714 [2,0,0,0,0,0|1,0,1]=4 507 B9R0.46 COC(=O)CCCCCBr Amb4017062 [2,0,0,0,0,0|1,0,1]=4 508 B9R0.46 COC(=O)CCCCCCl Amb25703167 [2,0,0,0,0,0|1,0,1]=4 509 B9R0.46 COC(=O)CCCCCN Amb1152885 [2,0,0,0,0,0|1,0,1]=4 510 B9R0.46 COC(=O)CCCCCN Amb1935045 [2,0,0,0,0,0|1,0,1]=4 511 B9R0.46 COC(=O)CCCCCO Amb22002577 [2,0,0,0,0,0|1,0,1]=4 512 B9R0.46 COC(=O)CCCCCS Amb25934957 [2,0,0,0,0,0|1,0,1]=4 513 B9R0.46 COC(=O)NCCCCBr Amb27817636 [2,0,0,0,0,0|2,0,0]=4 514 B9R0.46 COC(=O)NCCCCN Amb27259183 [2,0,0,0,0,0|2,0,0]=4 515 B9R0.46 COC(=O)NCCCCO Amb27251899 [2,0,0,0,0,0|2,0,0]=4 516 B9R0.46 COC(=O)NCCCSC Amb28050553 [2,0,0,0,0,0|2,0,0]=4 517 B9R0.46 COC(=O)\C=C\CCC#N Amb18643376 [2,0,0,0,0,0|1,0,1]=4 518 B9R0.46 COC(=O)\C=C\CCSC Amb27855319 [2,0,0,0,0,0|1,0,0]=3 519 B9R0.46 C\C=C\C\C=C\C(=O)OC Amb27422431 [2,0,0,0,0,0|0,0,2]=4 520 B9R0.2 C#CCCC\C=C\C(C)=O Amb25205680 [2,0,0,0,0,0|0,0,2]=4 521 B9R0.2 C=CCCC\C=C\C(C)=O Amb27628550 [2,0,0,0,0,0|0,0,2]=4 522 B9R0.2 CC(=O)\C=C\CCCCBr Amb24477141 [2,0,0,0,0,0|1,0,0]=3 523 B9R0.2 CC(=O)\C=C\CCCCCl Amb27599396 [2,0,0,0,0,0|1,0,0]=3 524 B9R0.2 CC(=O)\C=C\CCCCO Amb24518640 [2,0,0,0,0,0|1,0,0]=3 525 B9R0.2 CC(=O)\N=C\CCCCO Amb27169910 [2,0,0,0,0,0|2,0,0]=4 526 B9R0.2 CCCC#C\C=C/C(=O)O Amb27435469 [2,0,0,0,0,0|0,0,2]=4 527 B9R0.2 CCCC#C\C=C\C(=O)O Amb27202812 [2,0,0,0,0,0|0,0,2]=4 528 B9R0.2 CCCCC=C=CC(=O)O Amb17593544 [2,0,0,0,0,0|0,0,2]=4 529 B9R0.2 CCCCCC#CC(=O)O Amb2778506 [2,0,0,0,0,0|0,0,2]=4 530 B9R0.2 CCCCCCCC(=O)O Amb3940371 [2,0,0,0,0,0|0,0,2]=4 531 B9R0.2 CCCCCCCC(C)=O Amb6891951 [2,0,0,0,0,0|0,0,2]=4 532 B9R0.2 CCCCCCNC(C)=O Amb3368460 [2,0,0,0,0,0|1,0,1]=4 533 B9R0.2 CCCCCCOC(C)=O Amb8513414 [2,0,0,0,0,0|1,0,1]=4 534 B9R0.2 CCCCCCSC(C)=O Amb27837874 [2,0,0,0,0,0|1,0,1]=4 535 B9R0.2 CCCCCC\C=C(\C)I Amb28464058 [2,0,0,0,0,0|1,0,1]=4 536 B9R0.2 CCCCCOCC(=O)O Amb8902706 [2,0,0,0,0,0|1,0,1]=4 537 B9R0.2 CCCCCSCC(=O)O Amb6249571 [2,0,0,0,0,0|1,0,1]=4 538 B9R0.2 CCCCC\C=C/C(C)C Amb22546691 [2,0,0,0,0,0|1,0,1]=4 539 B9R0.2 CCCCC\C=C\B(O)O Amb10068584 [2,0,0,0,0,0|1,0,1]=4 540 B9R0.2 CCCCC\C=C\C(C)C Amb22546757 [2,0,0,0,0,0|1,0,1]=4 541 B9R0.2 CCCCC\C=C\C(C)O Amb27472596 [2,0,0,0,0,0|0,0,2]=4 542 B9R0.2 CCCCC\C=C\[C@H](C)O Amb27852185 [2,0,0,0,0,0|0,0,2]=4 543 B9R0.2 CCCCN\C=C\C(C)=O Amb25147404 [2,0,0,0,0,0|1,0,0]=3 544 B9R0.2 CCCCO\C=C\C(=O)Cl Amb27804268 [2,0,0,0,0,0|2,0,0]=4 545 B9R0.2 CCCCS\C=C/C(C)=O Amb27945160 [2,0,0,0,0,0|1,0,0]=3 546 B9R0.2 CCCCS\C=C\C(C)=O Amb26410917 [2,0,0,0,0,0|1,0,0]=3 547 B9R0.2 CCCC\C=C/CC(C)=O Amb26493143 [2,0,0,0,0,0|0,0,2]=4 548 B9R0.2 CCCC\C=C\CC(=O)O Amb6297257 [2,0,0,0,0,0|0,0,2]=4 549 B9R0.2 CCCC\C=C\NC(C)=O Amb24674131 [2,0,0,0,0,0|1,0,1]=4 550 B9R0.2 CCCC\C=C\OC(C)=O Amb25293926 [2,0,0,0,0,0|1,0,1]=4 551 B9R0.2 CCC\C=C/C=C/C(C)=O Amb28291455 [2,0,0,0,0,0|0,0,2]=4 552 B9R0.2 CCC\C=C\C=C\C(=O)O Amb32953792 [2,0,0,0,0,0|0,0,2]=4 553 B9R0.2 CCC\C=C\C=C\C(C)=O Amb33079035 [2,0,0,0,0,0|0,0,2]=4 554 B9R0.2 CC\C=C\C\C=C\C(C)=O Amb27226161 [2,0,0,0,0,0|0,0,2]=4 555 B9R0.2 CNCCS\C=C\C(=O)O Amb27471288 [2,0,0,0,0,0|2,0,0]=4 556 B9R0.2 COCCS\C=C\C(=O)O Amb28398936 [2,0,0,0,0,0|2,0,0]=4 557 B9R0.2 COCOC\C=C\C(C)=O Amb26404277 [2,0,0,0,0,0|2,0,0]=4 558 B9R0.2 CSCCN\C=C\C(=O)O Amb27864234 [2,0,0,0,0,0|2,0,0]=4 559 B9R0.2 NCCCS\C=C\C(=O)O Amb27837837 [2,0,0,0,0,0|2,0,0]=4 560 B9R0.2 O=C(Cl)\C=C\CCCCCl Amb25074569 [2,0,0,0,0,0|2,0,0]=4 561 B9R0.2 O=C(O)\C=C\CCCCCl Amb18645743 [2,0,0,0,0,0|1,0,0]=3 562 B9R0.2 O=C(O)\C=C\CSCCO Amb27205770 [2,0,0,0,0,0|2,0,0]=4 563 B11R0.2 CCCCCCC(=O)CC(C)C Amb18802035 [1,1,0,0,0,0|1,0,1]=4 564 B11R0.5 CCCCC(=O)CC(=O)OCC Amb10604434 [1,1,0,0,0,0|0,0,1]=3 565 B11R0.5 CCCCC(N)CC(=O)OCC Amb10607610 [1,1,0,0,0,0|0,0,1]=3 566 B11R0.5 CCCCC(N)CC(=O)OCC Amb22586905 [1,1,0,0,0,0|0,0,1]=3 567 B11R0.5 CCCC[C@@H](N)CC(=O)OCC Amb33802957 [1,1,0,0,0,0|0,0,1]=3 568 B11R0.5 CCCC[C@H](N)CC(=O)OCC Amb33803455 [1,1,0,0,0,0|0,0,1]=3 569 B11R0.5 CCCC\C(C)=C\C(=O)OCC Amb33493036 [1,1,0,0,0,0|0,0,0]=2 570 B11R0.5 CCCC\C(N)=C\C(=O)OCC Amb32756508 [1,1,0,0,0,0|0,0,0]=2 571 B11R0.5 CCNCC(=O)NC(=O)OCC Amb1105553 [1,1,0,0,0,0|2,0,0]=4 572 B11R0.5 CCNCC(=O)NC(=O)OCC Amb6891851 [1,1,0,0,0,0|2,0,0]=4 573 B11R0.5 CCOC(=O)CC(=O)CCCCl Amb32667922 [1,1,0,0,0,0|1,0,1]=4 574 B11R0.5 CCOC(=O)CC(=O)CCOC Amb18803903 [1,1,0,0,0,0|1,0,1]=4 575 B11R0.5 CCOC(=O)CC(=O)CSCC Amb20668828 [1,1,0,0,0,0|1,0,1]=4 576 B11R0.5 CCOC(=O)CC(N)CCSC Amb32787689 [1,1,0,0,0,0|1,0,1]=4 577 B11R0.5 CCOC(=O)C[C@@H](C)CCCO Amb33624819 [1,1,0,0,0,0|1,0,1]=4 578 B11R0.5 CCOC(=O)C[C@@H](N)CCSC Amb33803591 [1,1,0,0,0,0|1,0,1]=4 579 B11R0.5 CCOC(=O)\C=C(/C)CCOC Amb33493190 [1,1,0,0,0,0|1,0,0]=3 580 B11R0.5 CCOCC(=O)CC(=O)OCC Amb19890255 [1,1,0,0,0,0|1,0,1]=4 581 B11R0.62 CCCC(=O)CCC(=O)OCC Amb6305821 [1,1,0,0,0,0|0,0,2]=4 582 B11R0.62 CCCC(C)C#CC(=O)OCC Amb33168633 [1,1,0,0,0,0|0,0,2]=4 583 B11R0.62 CCCC(C)CCC(=O)OCC Amb28963379 [1,1,0,0,0,0|0,0,1]=3 584 B11R0.62 CCCC(N)C#CC(=O)OCC Amb33168653 [1,1,0,0,0,0|0,0,2]=4 585 B11R0.62 CCOC(=O)\C=C/C(=O)OCC Amb8385109 [1,1,0,0,0,0|1,0,1]=4 586 B11R0.62 CCOC(=O)\C=C\C(=O)OCC Amb6608965 [1,1,0,0,0,0|1,0,1]=4 587 B11R0.81 C=CCOC(=O)CCCCCC Amb8514890 [1,1,0,0,0,0|0,0,2]=4 588 B11R0.81 CCCCCCC(=O)NCCO Amb5797932 [1,1,0,0,0,0|1,0,1]=4 589 B11R0.81 CCCOC(=O)NCCCNC Amb33804471 [1,1,0,0,0,0|2,0,0]=4 590 B11R0.81 CCCOC(=O)NCCCNC Amb33804497 [1,1,0,0,0,0|2,0,0]=4 591 B11R0.155 CCCCCC(Br)C(=O)OCC Amb22500132 [1,1,0,0,0,0|0,0,1]=3 592 B11R0.155 CCCCCC(N)C(=O)OCC Amb18794904 [1,1,0,0,0,0|0,0,1]=3 593 B11R0.155 CCCCCN(C)C(=O)CCC Amb24096793 [1,1,0,0,0,0|2,0,0]=4 594 B11R0.155 CCCOCC(N)C(=O)OCC Amb18790599 [1,1,0,0,0,0|1,0,1]=4 595 B11R0.155 CCOC(=O)C(=O)CCCC#N Amb6299623 [1,1,0,0,0,0|1,0,1]=4 596 B11R0.155 CCOC(=O)C(=O)CCCCCl Amb6299631 [1,1,0,0,0,0|1,0,0]=3 597 B11R0.155 CCOC(=O)C(=O)NCCOC Amb3886749 [1,1,0,0,0,0|2,0,0]=4 598 B11R0.155 CCOC(=O)C(Br)CCCCCl Amb24066456 [1,1,0,0,0,0|1,0,1]=4 599 B11R0.155 CCOC(=O)C(N)CCCCF Amb33036985 [1,1,0,0,0,0|1,0,1]=4 600 B11R0.155 CCOC(=O)C(N)CCCCN Amb2725538 [1,1,0,0,0,0|1,0,1]=4 601 B11R0.155 CCOC(=O)C(N)CCCCN Amb32438753 [1,1,0,0,0,0|1,0,1]=4 602 B11R0.155 CCOC(=O)C(N)CCCCO Amb32789425 [1,1,0,0,0,0|1,0,1]=4 603 B11R0.155 CCOC(=O)C(N)CCCOC Amb33308559 [1,1,0,0,0,0|1,0,1]=4 604 B11R0.155 CCOC(=O)C(N)CCCSC Amb33308878 [1,1,0,0,0,0|1,0,1]=4 605 B11R0.155 CCOC(=O)C(N)CCSCC Amb19041433 [1,1,0,0,0,0|1,0,1]=4 606 B11R0.155 CCOC(=O)[C@@H](N)CCCCN Amb33813305 [1,1,0,0,0,0|1,0,1]=4 607 B11R0.155 CCOC(=O)[C@@H](N)CCCCN Amb8390411 [1,1,0,0,0,0|1,0,1]=4 608 B11R0.155 CCOCCC(N)C(=O)OCC Amb18790640 [1,1,0,0,0,0|1,0,1]=4 609 B11R0.155 CCO\C=C\C(=O)C(=O)OCC Amb17594299 [1,1,0,0,0,0|1,0,1]=4 610 B11R0.174 CCOC(=O)C#CCC(C)CC Amb33168652 [1,1,0,0,0,0|0,0,2]=4 611 B11R0.174 CCOC(=O)CCCC(=O)CC Amb6305807 [1,1,0,0,0,0|0,0,2]=4 612 B11R0.174 CCOC(=O)CCNC(C)CC Amb9024157 [1,1,0,0,0,0|1,0,1]=4 613 B11R0.174 CCOC(=O)\C=C\CN(C)CC Amb33228402 [1,1,0,0,0,0|1,0,0]=3 614 B11R0.176 C=C(C)CCCCC(=O)OCC Amb6298923 [1,1,0,0,0,0|0,0,2]=4 615 B11R0.176 CCOC(=O)C#CCCC(C)C Amb33168638 [1,1,0,0,0,0|0,0,2]=4 616 B11R0.176 CCOC(=O)C#CCCC(C)N Amb33168727 [1,1,0,0,0,0|0,0,2]=4 617 B11R0.176 CCOC(=O)CCNCC(C)C Amb8867198 [1,1,0,0,0,0|1,0,1]=4 618 B11R0.176 CCOC(=O)COCCC(C)C Amb9206363 [1,1,0,0,0,0|1,0,1]=4 619 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [1,1,0,0,0,0|1,0,1]=4 620 B11R0.148 CCCCC\C=C\COC(C)=O Amb30988128 [1,1,0,0,0,0|0,0,2]=4 621 B11R0.42 CCCCCCNC(=O)C(C)Cl Amb9000068 [1,1,0,0,0,0|1,0,1]=4 622 B11R0.42 CCCCCCOC(=O)C(C)C Amb6366413 [1,1,0,0,0,0|1,0,1]=4 623 B11R0.42 CCCCCC\C=C(/C)C(C)O Amb22546750 [1,1,0,0,0,0|1,0,1]=4 624 B11R0.70 CCCCC(C)C#CC(=O)OC Amb33168813 [1,1,0,0,0,0|0,0,2]=4 625 B11R0.70 CCCCC(N)C#CC(=O)OC Amb33168791 [1,1,0,0,0,0|0,0,2]=4 626 B11R0.70 CCCCC(N)CCC(=O)OC Amb33372313 [1,1,0,0,0,0|0,0,2]=4 627 B11R0.106 CCC(C)CCCCC(=O)OC Amb22489983 [1,1,0,0,0,0|0,0,2]=4 628 B11R0.154 CCCCCC(=O)CC(=O)OC Amb19515873 [1,1,0,0,0,0|0,0,1]=3 629 B11R0.154 CCCCCC(N)CC(=O)OC Amb33254856 [1,1,0,0,0,0|0,0,2]=4 630 B11R0.154 CCCCCC(O)CC(=O)OC Amb21928835 [1,1,0,0,0,0|0,0,2]=4 631 B11R0.154 CCCCC[C@@H](O)CC(=O)OC Amb31308366 [1,1,0,0,0,0|0,0,2]=4 632 B11R0.154 CCCCC[C@H](O)CC(=O)OC Amb33872469 [1,1,0,0,0,0|0,0,2]=4 633 B11R0.154 CCCCC\C(C)=C\C(=O)OC Amb33472157 [1,1,0,0,0,0|0,0,0]=2 634 B11R0.154 CCOCCC(=O)CC(=O)OC Amb32729435 [1,1,0,0,0,0|1,0,1]=4 635 B13R0.2 C=CCCCCCCCC(=O)OCC Amb30666619 [0,2,0,0,0,0|0,0,2]=4 636 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,2,0,0,0,0|0,0,2]=4 637 B13R0.2 CCCCC\C=C/C=C/C(=O)OCC Amb8514985 [0,2,0,0,0,0|0,0,0]=2 638 B13R0.2 CCOC(=O)C#CCCOCCOC Amb33168696 [0,2,0,0,0,0|0,0,2]=4 639 B13R0.2 CCOC(=O)CCCCCCCC=O Amb30666661 [0,2,0,0,0,0|0,0,2]=4 640 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,2,0,0,0,0|0,0,2]=4 641 B13R0.2 CCOCCCNCCC(=O)OCC Amb9024081 [0,2,0,0,0,0|0,0,2]=4 642 B13R0.87 CCOC(=O)CCCCCC(=O)CC Amb6305809 [0,2,0,0,0,0|0,0,2]=4 643 B13R0.175 CCCCC(=O)CCCC(=O)OCC Amb6305812 [0,2,0,0,0,0|0,0,2]=4 644 B13R0.193 CCCCCC(=O)CCC(=O)OCC Amb33533586 [0,2,0,0,0,0|0,0,1]=3 645 B13R0.193 CCCCNC(=O)NNC(=O)OCC Amb2389250 [0,2,0,0,0,0|2,0,0]=4 646 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [0,2,0,0,0,0|0,0,2]=4 647 B13R0.275 CCOC(=O)C(=O)CCCCCC#N Amb6299625 [0,2,0,0,0,0|0,0,2]=4 648 B13R0.330 CCCCCC\C(C)=C\C(=O)OCC Amb33493100 [0,2,0,0,0,0|0,0,0]=2 649 B13R0.330 CCOC(=O)CC(=O)COCCOC Amb2689124 [0,2,0,0,0,0|1,0,1]=4 650 B13R0.330 CCOC(=O)\C=C(/C)COCCOC Amb32664147 [0,2,0,0,0,0|1,0,0]=3 651 B13R0.367 CCCC(=O)CCCCC(=O)OCC Amb6305823 [0,2,0,0,0,0|0,0,2]=4 652 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl Amb8387766 [0,2,0,0,0,0|0,0,2]=4 653 B13R0.367 CCOC(=O)CCCCC(O)CCCl Amb8393299 [0,2,0,0,0,0|0,0,2]=4 654 B13R0.367 CCOC(=O)\C=C\CCC(=O)OCC Amb24117844 [0,2,0,0,0,0|0,0,1]=3 655 B13R0.286 CCCCCC#CC(=O)OC(C)(C)C Amb33168432 [0,2,0,0,0,0|0,0,2]=4 656 B13R0.286 CCCCCCNC(=O)OC(C)(C)C Amb26984514 [0,2,0,0,0,0|1,0,1]=4 657 B13R0.286 CCCCCNNC(=O)OC(C)(C)C Amb27666568 [0,2,0,0,0,0|2,0,0]=4 658 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC Amb33355383 [0,2,0,0,0,0|1,0,1]=4 659 B13R0.120 CCCCC(=O)CC(=O)C(=O)OCC Amb9775018 [0,2,0,0,0,0|0,0,2]=4 660 B13R0.59 CCCCCCC(CC)C(=O)OCC Amb35749824 [0,2,0,0,0,0|0,0,2]=4 661 B13R0.806 CCCCCCC(C)(N)C(=O)OCC Amb33534020 [0,2,0,0,0,0|0,0,2]=4 662 B13R0.23 CCCN(CC)C\C=C\C(=O)OCC Amb33228404 [0,2,0,0,0,0|1,0,0]=3 663 B11R1.4 CCCCCC=C1OCCO1 Amb26586200 [1,0,0,1,0,0|0,0,1]=3 664 B11R1.4 CNCC\C=C\C1=CCCO1 Amb27492687 [1,0,0,1,0,0|2,0,0]=4 665 B11R1.16 C=C(OCC)C1=CCCNC1 Amb33136087 [1,0,0,1,0,0|2,0,0]=4 666 B11R1.16 CCCC(=O)C1=CCCNC1 Amb28344385 [1,0,0,1,0,0|2,0,0]=4 667 B11R1.16 CCCC(=O)C1CCCCC1 Amb18179555 [1,0,0,1,0,0|1,0,1]=4 668 B11R1.16 CCCC(=O)N1CCCCC1 Amb5794994 [1,0,0,1,0,0|2,0,0]=4 669 B11R1.16 CCNC(=O)C1=CCCCO1 Amb27448998 [1,0,0,1,0,0|2,0,0]=4 670 B11R1.16 CCNC(=O)C1=CCCSC1 Amb27804809 [1,0,0,1,0,0|2,0,0]=4 671 B11R1.16 CCNC(=O)C1=CCNCC1 Amb35730100 [1,0,0,1,0,0|2,0,0]=4 672 B11R1.16 CCNC(=O)C1CCCCC1 Amb3886611 [1,0,0,1,0,0|1,0,1]=4 673 B11R1.16 CCOC(=N)C1=CCCCC1 Amb26845124 [1,0,0,1,0,0|1,0,0]=3 674 B11R1.16 CCOC(=O)C1=CC=CCC1 Amb32644787 [1,0,0,1,0,0|0,0,2]=4 675 B11R1.16 CCOC(=O)C1=CCCCC1 Amb24612358 [1,0,0,1,0,0|0,0,0]=2 676 B11R1.16 CCOC(=O)C1=CCCCN1 Amb24061335 [1,0,0,1,0,0|1,0,0]=3 677 B11R1.16 CCOC(=O)C1=CCCCO1 Amb25711566 [1,0,0,1,0,0|1,0,0]=3 678 B11R1.16 CCOC(=O)C1=CCCNC1 Amb24117865 [1,0,0,1,0,0|1,0,0]=3 679 B11R1.16 CCOC(=O)C1=CCCNC1 Amb25726082 [1,0,0,1,0,0|1,0,0]=3 680 B11R1.16 CCOC(=O)C1=CCCOC1 Amb24178914 [1,0,0,1,0,0|1,0,0]=3 681 B11R1.16 CCOC(=O)C1=CNCCS1 Amb27878378 [1,0,0,1,0,0|2,0,0]=4 682 B11R1.16 CCOC(=O)C1=CSCCN1 Amb28119907 [1,0,0,1,0,0|2,0,0]=4 683 B11R1.16 CCOC(=O)C1=NCCCC1 Amb28255538 [1,0,0,1,0,0|1,0,0]=3 684 B11R1.16 CCOC(=O)C1C=CCCC1 Amb26317877 [1,0,0,1,0,0|0,0,2]=4 685 B11R1.16 CCOC(=O)C1CCCCC1 Amb8389345 [1,0,0,1,0,0|0,0,1]=3 686 B11R1.16 CCOC(=O)C1CCCCN1 Amb1157782 [1,0,0,1,0,0|1,0,1]=4 687 B11R1.16 CCOC(=O)C1CCCCN1 Amb3940052 [1,0,0,1,0,0|1,0,1]=4 688 B11R1.16 CCOC(=O)C1CCCCO1 Amb18183255 [1,0,0,1,0,0|1,0,1]=4 689 B11R1.16 CCOC(=O)C1CCCCS1 Amb27638721 [1,0,0,1,0,0|1,0,1]=4 690 B11R1.16 CCOC(=O)C1CCCC[NH2+]1 Amb33513001 [1,0,0,1,0,0|1,0,1]=4 691 B11R1.16 CCOC(=O)C1CCCNC1 Amb19887540 [1,0,0,1,0,0|1,0,1]=4 692 B11R1.16 CCOC(=O)C1CCCNC1 Amb9703122 [1,0,0,1,0,0|1,0,1]=4 693 B11R1.16 CCOC(=O)C1CCCOC1 Amb18182346 [1,0,0,1,0,0|1,0,1]=4 694 B11R1.16 CCOC(=O)C1CCNCC1 Amb1953496 [1,0,0,1,0,0|1,0,1]=4 695 B11R1.16 CCOC(=O)C1CCNCC1 Amb8393090 [1,0,0,1,0,0|1,0,1]=4 696 B11R1.16 CCOC(=O)C1CCOCC1 Amb9273809 [1,0,0,1,0,0|1,0,1]=4 697 B11R1.16 CCOC(=O)C1CCSCC1 Amb24484453 [1,0,0,1,0,0|1,0,1]=4 698 B11R1.16 CCOC(=O)N1C=CCCC1 Amb24667994 [1,0,0,1,0,0|1,0,1]=4 699 B11R1.16 CCOC(=O)N1CCCCC1 Amb2777405 [1,0,0,1,0,0|1,0,0]=3 700 B11R1.16 CCOC(=O)N1CCNCC1 Amb2720264 [1,0,0,1,0,0|2,0,0]=4 701 B11R1.16 CCOC(=O)N1CCOCC1 Amb17797590 [1,0,0,1,0,0|2,0,0]=4 702 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 Amb13886185 [1,0,0,1,0,0|1,0,1]=4 703 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 Amb19889884 [1,0,0,1,0,0|1,0,1]=4 704 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 Amb17614129 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 Amb8390593 [1,0,0,1,0,0|1,0,1]=4 706 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 Amb8393573 [1,0,0,1,0,0|1,0,1]=4 707 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 Amb8628153 [1,0,0,1,0,0|1,0,1]=4 708 B11R1.16 CCOC(=O)[C@H]1CCCCN1 Amb13886209 [1,0,0,1,0,0|1,0,1]=4 709 B11R1.16 CCOC(=O)[C@H]1CCCCN1 Amb33871588 [1,0,0,1,0,0|1,0,1]=4 710 B11R1.16 CCOC(=O)[C@H]1CCCNC1 Amb13885352 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.16 CCOC(=O)[C@H]1CCCNC1 Amb22744886 [1,0,0,1,0,0|1,0,1]=4 712 B11R1.16 CCOC(=O)[C@H]1CCCNC1 Amb8396822 [1,0,0,1,0,0|1,0,1]=4 713 B11R1.16 CCOC(=O)[C@H]1CCCNC1 Amb8628464 [1,0,0,1,0,0|1,0,1]=4 714 B11R1.16 CCSC(=O)C1CCCCC1 Amb27203929 [1,0,0,1,0,0|0,1,1]=4 715 B11R1.16 CCSC(=O)N1CCCCC1 Amb8393805 [1,0,0,1,0,0|1,1,0]=4 716 B11R1.16 CNCC(=O)C1=CCCCC1 Amb24554962 [1,0,0,1,0,0|2,0,0]=4 717 B11R1.16 COCC(=O)C1=CCCCC1 Amb27762484 [1,0,0,1,0,0|2,0,0]=4 718 B11R1.16 C\C=C\C(=O)C1=CCCCC1 Amb17593736 [1,0,0,1,0,0|1,0,1]=4 719 B11R1.16 NCCC(=O)C1=CCCCC1 Amb24405447 [1,0,0,1,0,0|2,0,0]=4 720 B11R1.16 O=C(OCCl)C1CCCCC1 Amb27224693 [1,0,0,1,0,0|1,0,1]=4 721 B11R1.24 CCCCC1=CC(=O)CCC1 Amb17593800 [1,0,0,1,0,0|1,0,0]=3 722 B11R1.24 CCCCC1=CC(=O)CCS1 Amb27750255 [1,0,0,1,0,0|2,0,0]=4 723 B11R1.24 CCCCC1=CC(=O)NCC1 Amb27166484 [1,0,0,1,0,0|1,0,0]=3 724 B11R1.24 CCCNC1=CC(=O)CCC1 Amb4453933 [1,0,0,1,0,0|2,0,0]=4 725 B11R1.24 C\C=C\CC1=CC(=O)OCC1 Amb28205370 [1,0,0,1,0,0|0,0,2]=4 726 B11R1.24 N#CCCC1=CC(=O)OCC1 Amb27482980 [1,0,0,1,0,0|1,0,1]=4 727 B11R1.24 O=C1C=C(CCCBr)CCC1 Amb27839726 [1,0,0,1,0,0|2,0,0]=4 728 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|1,0,1]=4 729 B11R1.30 CCCC(=O)CC1CCCC1 Amb18796800 [1,0,0,1,0,0|1,0,1]=4 730 B11R1.30 CCCC(=O)NC1CCCC1 Amb5797550 [1,0,0,1,0,0|2,0,0]=4 731 B11R1.30 CCCC(=O)OC1CCCC1 Amb27270294 [1,0,0,1,0,0|2,0,0]=4 732 B11R1.30 CCCC(=O)\C=C1\CCCN1 Amb24519315 [1,0,0,1,0,0|2,0,0]=4 733 B11R1.30 CCNC(=O)CC1CCCC1 Amb27469710 [1,0,0,1,0,0|1,0,1]=4 734 B11R1.30 CCOC(=O)C=C1CCCC1 Amb21858427 [1,0,0,1,0,0|0,0,0]=2 735 B11R1.30 CCOC(=O)C=C1NCCN1 Amb845444 [1,0,0,1,0,0|2,0,0]=4 736 B11R1.30 CCOC(=O)CC1CCCC1 Amb4008395 [1,0,0,1,0,0|0,0,1]=3 737 B11R1.30 CCOC(=O)CC1CCCN1 Amb19015189 [1,0,0,1,0,0|1,0,1]=4 738 B11R1.30 CCOC(=O)CC1CCCN1 Amb19514733 [1,0,0,1,0,0|1,0,1]=4 739 B11R1.30 CCOC(=O)CC1CCCO1 Amb17939087 [1,0,0,1,0,0|1,0,1]=4 740 B11R1.30 CCOC(=O)CC1CCNC1 Amb22001550 [1,0,0,1,0,0|1,0,1]=4 741 B11R1.30 CCOC(=O)CC1CCNC1 Amb27266730 [1,0,0,1,0,0|1,0,1]=4 742 B11R1.30 CCOC(=O)CC1CCOC1 Amb23538521 [1,0,0,1,0,0|1,0,1]=4 743 B11R1.30 CCOC(=O)CN1CCCC1 Amb7102352 [1,0,0,1,0,0|1,0,1]=4 744 B11R1.30 CCOC(=O)C[C@@H]1CCCN1 Amb27990308 [1,0,0,1,0,0|1,0,1]=4 745 B11R1.30 CCOC(=O)C[C@@H]1CCNC1 Amb24766247 [1,0,0,1,0,0|1,0,1]=4 746 B11R1.30 CCOC(=O)C[C@H]1CCCN1 Amb26660475 [1,0,0,1,0,0|1,0,1]=4 747 B11R1.30 CCOC(=O)C[C@H]1CCNC1 Amb24766248 [1,0,0,1,0,0|1,0,1]=4 748 B11R1.30 CCOC(=O)NC1=CCCC1 Amb27176461 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.30 CCOC(=O)NC1CCOC1 Amb28074471 [1,0,0,1,0,0|2,0,0]=4 750 B11R1.30 CCOC(=O)\C=C1/CCCO1 Amb2698530 [1,0,0,1,0,0|1,0,0]=3 751 B11R1.30 CCOC(=O)\C=C1/CCNC1 Amb22498696 [1,0,0,1,0,0|1,0,0]=3 752 B11R1.30 CCOC(=O)\C=C1/CCOC1 Amb32701576 [1,0,0,1,0,0|1,0,0]=3 753 B11R1.30 CCOC(=O)\C=C1/CCSC1 Amb33495126 [1,0,0,1,0,0|1,0,0]=3 754 B11R1.30 CCOC(=O)\C=C1/NCCS1 Amb27606283 [1,0,0,1,0,0|2,0,0]=4 755 B11R1.30 CCOC(=O)\C=C1\CCCN1 Amb18200450 [1,0,0,1,0,0|1,0,0]=3 756 B11R1.30 CCOC(=O)\C=C1\CCNC1 Amb32411738 [1,0,0,1,0,0|1,0,0]=3 757 B11R1.30 CCOC(=O)\C=C1\CCOC1 Amb27803348 [1,0,0,1,0,0|1,0,0]=3 758 B11R1.30 CCOC(=O)\C=C1\CCSC1 Amb28204413 [1,0,0,1,0,0|1,0,0]=3 759 B11R1.30 CCOC(=S)NC1CCCC1 Amb27176574 [1,0,0,1,0,0|1,1,0]=4 760 B11R1.30 CCSC(=O)\C=C1\CCCN1 Amb26445700 [1,0,0,1,0,0|1,1,0]=4 761 B11R1.30 O=C(CC1CCCC1)OCCl Amb26999984 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.30 O=C(NC1CCCC1)OCCl Amb35609506 [1,0,0,1,0,0|2,0,0]=4 763 B11R1.30 O=C(OCI)OC1CCCC1 Amb27266495 [1,0,0,1,0,0|2,0,0]=4 764 B11R1.81 CCCC1CCC(=O)CC1C Amb26592724 [1,0,0,1,0,0|1,0,1]=4 765 B11R1.101 O=C1C=CCCCCCCC1 Amb28254479 [1,0,0,1,0,0|1,0,0]=3 766 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|1,0,1]=4 767 B11R1.101 O=C1CCCCCCCCN1 Amb4034840 [1,0,0,1,0,0|1,0,1]=4 768 B11R1.107 CC1CCCCCCC(=O)C1 Amb28200023 [1,0,0,1,0,0|1,0,1]=4 769 B11R1.110 CCOC1=NC(C)CCCC1 Amb25332006 [1,0,0,1,0,0|1,0,1]=4 770 B11R1.112 CCCC1CC1C(=O)NCC Amb28352140 [1,0,0,1,0,0|1,0,1]=4 771 B11R1.112 CCOC(=O)C1CC1OCC Amb9677366 [1,0,0,1,0,0|1,0,1]=4 772 B11R1.135 CCCC1CCNC(=O)CC1 Amb9316853 [1,0,0,1,0,0|1,0,1]=4 773 B11R1.180 CCCCCC1=CCCC1=O Amb533108 [1,0,0,1,0,0|1,0,1]=4 774 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|2,0,0]=4 776 B11R1.180 CCCCCN1CCNC1=O Amb28386660 [1,0,0,1,0,0|2,0,0]=4 777 B11R1.180 CCCC\C=C1\CCCC1=O Amb533060 [1,0,0,1,0,0|1,0,0]=3 778 B11R1.180 CCCC\C=C1\CCOC1=O Amb25947841 [1,0,0,1,0,0|0,0,0]=2 779 B11R1.180 CCNCCN1CCOC1=O Amb19026699 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,0,0,1,0,0|1,0,1]=4 781 B11R1.180 O=C1OCCN1CCCCBr Amb8855382 [1,0,0,1,0,0|2,0,0]=4 782 B11R1.180 O=C1OCCN1CCCCCl Amb18804714 [1,0,0,1,0,0|2,0,0]=4 783 B11R1.180 O=C1OCC\C1=C\NCCO Amb27490941 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.189 CCOC1=CCCN(CC)C1 Amb27453614 [1,0,0,1,0,0|2,0,0]=4 785 B11R1.199 CCNC(=O)[C@H]1CCC[C@@H]1C Amb28388276 [1,0,0,1,0,0|1,0,1]=4 786 B11R1.199 CCOC(=O)C1=C(C)CCC1 Amb25120486 [1,0,0,1,0,0|0,0,1]=3 787 B11R1.199 CCOC(=O)C1=C(C)NCC1 Amb24366082 [1,0,0,1,0,0|1,0,1]=4 788 B11R1.199 CCOC(=O)C1=C(F)CCC1 Amb25837558 [1,0,0,1,0,0|1,0,1]=4 789 B11R1.199 CCOC(=O)C1=C(N)CCC1 Amb1993725 [1,0,0,1,0,0|1,0,1]=4 790 B11R1.199 CCOC(=O)C1CCCC1N Amb18126058 [1,0,0,1,0,0|1,0,1]=4 791 B11R1.199 CCOC(=O)C1CCCC1N Amb32651898 [1,0,0,1,0,0|1,0,1]=4 792 B11R1.199 CCOC(=O)C1CCCC1O Amb21961794 [1,0,0,1,0,0|1,0,1]=4 793 B11R1.199 CCOC(=O)C1CCC[C@H]1O Amb27632030 [1,0,0,1,0,0|1,0,1]=4 794 B11R1.199 CCOC(=O)C1CCNC1C Amb27441132 [1,0,0,1,0,0|1,0,1]=4 795 B11R1.199 CCOC(=O)C1CCOC1C Amb27482178 [1,0,0,1,0,0|1,0,1]=4 796 B11R1.199 CCOC(=O)C1CNCC1C Amb26976326 [1,0,0,1,0,0|1,0,1]=4 797 B11R1.199 CCOC(=O)C1NCCC1C Amb26907451 [1,0,0,1,0,0|1,0,1]=4 798 B11R1.199 CCOC(=O)N1CCCC1N Amb27404441 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.199 CCOC(=O)N1CCCC1O Amb28280719 [1,0,0,1,0,0|2,0,0]=4 800 B11R1.199 CCOC(=O)[C@@H]1CCCN1C Amb26058650 [1,0,0,1,0,0|1,0,1]=4 801 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N Amb1994024 [1,0,0,1,0,0|1,0,1]=4 802 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N Amb8515216 [1,0,0,1,0,0|1,0,1]=4 803 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O Amb8514929 [1,0,0,1,0,0|1,0,1]=4 804 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N Amb22224844 [1,0,0,1,0,0|1,0,1]=4 805 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N Amb22745813 [1,0,0,1,0,0|1,0,1]=4 806 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1O Amb28293010 [1,0,0,1,0,0|1,0,1]=4 807 B11R1.199 CCOC(=O)[C@@H]1CCN[C@H]1C Amb33456332 [1,0,0,1,0,0|1,0,1]=4 808 B11R1.199 CCOC(=O)[C@@H]1CNC[C@H]1C Amb22745241 [1,0,0,1,0,0|1,0,1]=4 809 B11R1.199 CCOC(=O)[C@H]1CCCN1C Amb27607217 [1,0,0,1,0,0|1,0,1]=4 810 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N Amb25919587 [1,0,0,1,0,0|1,0,1]=4 811 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1O Amb8470926 [1,0,0,1,0,0|1,0,1]=4 812 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N Amb24715829 [1,0,0,1,0,0|1,0,1]=4 813 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N Amb33801011 [1,0,0,1,0,0|1,0,1]=4 814 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1O Amb28344997 [1,0,0,1,0,0|1,0,1]=4 815 B11R1.199 CCOC(=O)[C@H]1NCCC1C Amb25992560 [1,0,0,1,0,0|1,0,1]=4 816 B11R1.199 CCOC(=O)[C@H]1NCC[C@@H]1C Amb24519305 [1,0,0,1,0,0|1,0,1]=4 817 B11R1.199 CCOC(=O)[C@H]1NCC[C@H]1C Amb24117063 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.199 C[C@H]1CCCN1C(=O)OCCl Amb27852769 [1,0,0,1,0,0|2,0,0]=4 819 B11R1.200 CCOC(=O)C1CCC1CO Amb26083110 [1,0,0,1,0,0|1,0,1]=4 820 B11R1.200 CCOC(=O)[C@@H]1CC[C@H]1CO Amb27989723 [1,0,0,1,0,0|1,0,1]=4 821 B11R1.202 CCCC(=O)NC1CC1CC Amb27273189 [1,0,0,1,0,0|2,0,0]=4 822 B11R1.202 CCOC(=O)NC1CC1CC Amb28079536 [1,0,0,1,0,0|1,0,0]=3 823 B11R1.230 CCCCC1=CC(=O)CC1O Amb28122432 [1,0,0,1,0,0|2,0,0]=4 824 B11R1.230 CCCCC1=CC(=O)OC1=O Amb28370116 [1,0,0,1,0,0|1,0,1]=4 825 B11R1.230 CCCCC1=CC(=O)OC1O Amb25356386 [1,0,0,1,0,0|1,0,0]=3 826 B11R1.230 CCCCC1OC(=O)CC1C Amb15692528 [1,0,0,1,0,0|2,0,0]=4 827 B11R1.230 CCCC[C@@H]1CC(=O)N[C@@H]1C Amb27203377 [1,0,0,1,0,0|1,0,1]=4 828 B11R1.230 CCCC[C@@H]1CC(=O)N[C@H]1C Amb27852427 [1,0,0,1,0,0|1,0,1]=4 829 B11R1.230 CCCC[C@H]1NC(=O)O[C@@H]1C Amb27805409 [1,0,0,1,0,0|1,0,0]=3 830 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C Amb27234681 [1,0,0,1,0,0|2,0,0]=4 831 B11R1.288 CCCC(=O)NCC1CC1C Amb28387393 [1,0,0,1,0,0|2,0,0]=4 832 B11R1.288 CCNC(=O)NCC1CC1C Amb28455668 [1,0,0,1,0,0|2,0,0]=4 833 B11R1.288 CCOC(=O)C#CC1CC1C Amb33168626 [1,0,0,1,0,0|0,0,2]=4 834 B11R1.288 CCOC(=O)NCC1CC1C Amb28387392 [1,0,0,1,0,0|1,0,0]=3 835 B11R1.288 CCOC(=O)\C=C\C1OC1C Amb576696 [1,0,0,1,0,0|1,0,0]=3 836 B11R1.289 CCNC(=O)CCC1CCC1 Amb27270610 [1,0,0,1,0,0|1,0,1]=4 837 B11R1.289 CCNC(=O)NCC1CCC1 Amb28368953 [1,0,0,1,0,0|2,0,0]=4 838 B11R1.289 CCOC(=O)C#CC1CCC1 Amb33168623 [1,0,0,1,0,0|0,0,2]=4 839 B11R1.289 CCOC(=O)CCN1CCC1 Amb9825912 [1,0,0,1,0,0|1,0,1]=4 840 B11R1.289 CCOC(=O)CNC1CCC1 Amb18183163 [1,0,0,1,0,0|1,0,1]=4 841 B11R1.289 CCOC(=O)NCC1CCC1 Amb27818364 [1,0,0,1,0,0|1,0,0]=3 842 B11R1.289 CCOC(=O)NCC1CNC1 Amb27671684 [1,0,0,1,0,0|2,0,0]=4 843 B11R1.289 CCOC(=O)\C=C\C1CCC1 Amb22411520 [1,0,0,1,0,0|0,0,0]=2 844 B11R1.289 CONC(=O)\C=C\C1CCC1 Amb28294026 [1,0,0,1,0,0|2,0,0]=4 845 B11R1.290 CCNC(=O)NCCC1CC1 Amb28387541 [1,0,0,1,0,0|2,0,0]=4 846 B11R1.290 CCOC(=O)CCNC1CC1 Amb9024228 [1,0,0,1,0,0|1,0,1]=4 847 B11R1.290 CCOC(=O)CNCC1CC1 Amb6707496 [1,0,0,1,0,0|1,0,1]=4 848 B11R1.290 CCOC(=O)COCC1CC1 Amb9206403 [1,0,0,1,0,0|1,0,1]=4 849 B11R1.291 CC1CCC1NC(=O)OCCl Amb35609507 [1,0,0,1,0,0|2,0,0]=4 850 B11R1.291 CCNC(=O)NC1CCC1C Amb27758326 [1,0,0,1,0,0|2,0,0]=4 851 B11R1.291 CCOC(=O)N[C@@H]1CC[C@@H]1N Amb27637602 [1,0,0,1,0,0|2,0,0]=4 852 B11R1.291 CCOC(=O)\C=C1\CCC1=O Amb24633301 [1,0,0,1,0,0|1,0,1]=4 853 B11R1.291 CCOC(=O)\C=C1\CCC1C Amb33493266 [1,0,0,1,0,0|0,0,0]=2 854 B11R1.361 CCCCC1NC(=O)C1CC Amb27672451 [1,0,0,1,0,0|2,0,0]=4 855 B11R1.361 CCCC[C@@H]1NC(=O)[C@@H]1CC Amb28080164 [1,0,0,1,0,0|2,0,0]=4 856 B11R1.361 CCCC[C@@H]1NC(=O)[C@H]1CC Amb28080163 [1,0,0,1,0,0|2,0,0]=4 857 B11R1.17 CCC\C=C1\CCCCC1C Amb24595530 [1,0,0,1,0,0|1,0,1]=4 858 B11R1.17 CCO\N=C1/CCCCC1C Amb27198339 [1,0,0,1,0,0|1,0,1]=4 859 B11R1.28 CCCNCC1=CCOCC1 Amb27671637 [1,0,0,1,0,0|1,0,1]=4 860 B11R1.28 CCC\C=C\C1CCCCC1 Amb27491636 [1,0,0,1,0,0|1,0,1]=4 861 B11R1.28 CO\C=C\C=C1CCCCC1 Amb27233866 [1,0,0,1,0,0|2,0,0]=4 862 B11R1.28 OCOCC=C1CCCCC1 Amb25077799 [1,0,0,1,0,0|1,0,1]=4 863 B11R1.203 CCONC1=NCCCCC1 Amb27871076 [1,0,0,1,0,0|2,0,0]=4 864 B11R1.1 CCCCC1C=CC(O)CC1 Amb27857855 [1,0,0,1,0,0|0,0,2]=4 865 B11R1.1 CCCC[C@H]1C=C[C@H](O)CC1 Amb27428347 [1,0,0,1,0,0|0,0,2]=4 866 B11R1.1 COCO[C@H]1C=CC(=O)CC1 Amb27461619 [1,0,0,1,0,0|2,0,0]=4 867 B11R1.1 O=C1C=CC(CCCO)OC1 Amb27410566 [1,0,0,1,0,0|2,0,0]=4 868 B11R1.25 CCC(=O)CNC1CCCC1 Amb26651282 [1,0,0,1,0,0|1,0,1]=4 869 B11R1.25 CCC(=O)COC1CCCC1 Amb18799693 [1,0,0,1,0,0|1,0,1]=4 870 B11R1.25 CCC(=O)NNC1CCCC1 Amb26887230 [1,0,0,1,0,0|2,0,0]=4 871 B11R1.25 CCC(=O)OCC1CCCC1 Amb28326454 [1,0,0,1,0,0|1,0,1]=4 872 B11R1.25 CCC(=O)\C=C\N1CCCC1 Amb28253895 [1,0,0,1,0,0|1,0,0]=3 873 B11R1.25 CCS(=O)\N=C\C1CCCC1 Amb29858816 [1,0,0,1,0,0|2,0,0]=4 874 B11R1.25 COC(=O)C#CC1CCCC1 Amb25756477 [1,0,0,1,0,0|0,0,2]=4 875 B11R1.25 COC(=O)C=C=C1CCCC1 Amb32423554 [1,0,0,1,0,0|0,0,2]=4 876 B11R1.25 COC(=O)CCC1CCCC1 Amb9241816 [1,0,0,1,0,0|0,0,2]=4 877 B11R1.25 COC(=O)CNC1CCCC1 Amb19958344 [1,0,0,1,0,0|1,0,1]=4 878 B11R1.25 COC(=O)CNC1CCCC1 Amb6686961 [1,0,0,1,0,0|1,0,1]=4 879 B11R1.25 COC(=O)COC1CCCC1 Amb9206354 [1,0,0,1,0,0|1,0,1]=4 880 B11R1.25 COC(=O)NOC1CCCC1 Amb27462937 [1,0,0,1,0,0|2,0,0]=4 881 B11R1.25 COC(=O)\C=C/N1CCCC1 Amb32455904 [1,0,0,1,0,0|1,0,0]=3 882 B11R1.25 COC(=O)\C=C\C1=CCCC1 Amb24392864 [1,0,0,1,0,0|0,0,2]=4 883 B11R1.25 COC(=O)\C=C\C1CCCC1 Amb33986201 [1,0,0,1,0,0|0,0,0]=2 884 B11R1.25 COC(=O)\C=C\C1CCOC1 Amb33529168 [1,0,0,1,0,0|1,0,0]=3 885 B11R1.25 COC(=O)\C=C\N1CCCC1 Amb2384232 [1,0,0,1,0,0|1,0,0]=3 886 B11R1.25 NNC(=O)\C=C\C1CCCC1 Amb28382244 [1,0,0,1,0,0|2,0,0]=4 887 B11R1.27 C=CCCCC1=CC(=O)CC1 Amb27987936 [1,0,0,1,0,0|0,0,2]=4 888 B11R1.27 CCCCCC1=CC(=O)CC1 Amb27987060 [1,0,0,1,0,0|0,0,0]=2 889 B11R1.27 CCCCCC1=CC(=O)CO1 Amb27672377 [1,0,0,1,0,0|1,0,0]=3 890 B11R1.27 CCCCCC1=CC(Cl)CC1 Amb27987058 [1,0,0,1,0,0|1,0,1]=4 891 B11R1.27 CCCCCC1=CC(N)CC1 Amb27987946 [1,0,0,1,0,0|1,0,1]=4 892 B11R1.27 CCCCCC1=CC(O)CC1 Amb27987048 [1,0,0,1,0,0|0,0,2]=4 893 B11R1.27 CCCCCC1=CCC(=O)N1 Amb25384805 [1,0,0,1,0,0|1,0,1]=4 894 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [1,0,0,1,0,0|1,0,1]=4 895 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [1,0,0,1,0,0|1,0,1]=4 896 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [1,0,0,1,0,0|0,0,2]=4 897 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [1,0,0,1,0,0|0,0,2]=4 898 B11R1.27 CCCCC[C@H]1CCC(=O)N1 Amb28080184 [1,0,0,1,0,0|1,0,1]=4 899 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [1,0,0,1,0,0|1,0,1]=4 900 B11R1.27 CCCCCc1cc(N)on1 Amb7786705 [1,0,0,1,0,0|2,0,0]=4 901 B11R1.27 CCCCSC1=CC(=O)CC1 Amb27272290 [1,0,0,1,0,0|1,0,0]=3 902 B11R1.27 CCCOCC1=CC(=O)CC1 Amb27987814 [1,0,0,1,0,0|1,0,0]=3 903 B11R1.27 CCSCCC1=CC(=O)CC1 Amb27492308 [1,0,0,1,0,0|1,0,0]=3 904 B11R1.27 COCCCC1=CC(=O)CC1 Amb27987926 [1,0,0,1,0,0|1,0,0]=3 905 B11R1.27 COCCSC1=CC(=O)CC1 Amb27988383 [1,0,0,1,0,0|2,0,0]=4 906 B11R1.27 CSCCCC1=CC(=O)CC1 Amb27492307 [1,0,0,1,0,0|1,0,0]=3 907 B11R1.27 O=C1C=C(CCCCBr)CC1 Amb27673335 [1,0,0,1,0,0|1,0,0]=3 908 B11R1.27 O=C1C=C(CCCCCl)CN1 Amb27990105 [1,0,0,1,0,0|2,0,0]=4 909 B11R1.27 O=C1C=C(NCCCBr)CC1 Amb27823618 [1,0,0,1,0,0|2,0,0]=4 910 B11R1.27 O=C1C=C(SCCCO)CC1 Amb27988386 [1,0,0,1,0,0|2,0,0]=4 911 B11R1.27 O=CCCCC1=CC(=O)CC1 Amb18644515 [1,0,0,1,0,0|1,0,1]=4 912 B11R1.40 C=C(\C=C1\CCCNC1)CC Amb27479612 [1,0,0,1,0,0|2,0,0]=4 913 B11R1.40 CCC(=O)C=C1CCCCC1 Amb27256388 [1,0,0,1,0,0|0,0,0]=2 914 B11R1.40 CCC(=O)CC1CCCCC1 Amb18796799 [1,0,0,1,0,0|0,0,2]=4 915 B11R1.40 CCC(=O)NN1CCCCC1 Amb2125342 [1,0,0,1,0,0|2,0,0]=4 916 B11R1.40 CCC(=O)OC1CCCCC1 Amb20246948 [1,0,0,1,0,0|1,0,1]=4 917 B11R1.40 CCC(=O)\C=C1\CCCCN1 Amb26887433 [1,0,0,1,0,0|1,0,0]=3 918 B11R1.40 CCS(=O)N=C1CCCCC1 Amb35726590 [1,0,0,1,0,0|2,0,0]=4 919 B11R1.40 CNC(=O)C=C1CCSCC1 Amb27458485 [1,0,0,1,0,0|2,0,0]=4 920 B11R1.40 COC(=O)C=C1CCCCC1 Amb22365303 [1,0,0,1,0,0|0,0,0]=2 921 B11R1.40 COC(=O)C=C1CCNCC1 Amb32645715 [1,0,0,1,0,0|1,0,0]=3 922 B11R1.40 COC(=O)C=C1CCOCC1 Amb19337770 [1,0,0,1,0,0|1,0,0]=3 923 B11R1.40 COC(=O)C=C1CCSCC1 Amb24727308 [1,0,0,1,0,0|1,0,0]=3 924 B11R1.40 COC(=O)C=C1NCCCN1 Amb27613165 [1,0,0,1,0,0|2,0,0]=4 925 B11R1.40 COC(=O)CC1CCCCC1 Amb9241853 [1,0,0,1,0,0|0,0,2]=4 926 B11R1.40 COC(=O)CN1CCCCC1 Amb2583056 [1,0,0,1,0,0|1,0,1]=4 927 B11R1.40 COC(=O)NC1CCCCC1 Amb9900327 [1,0,0,1,0,0|1,0,1]=4 928 B11R1.40 COC(=O)\C=C1/CCCSC1 Amb33504059 [1,0,0,1,0,0|1,0,0]=3 929 B11R1.40 COC(=O)\C=C1\CCCCN1 Amb23570717 [1,0,0,1,0,0|1,0,0]=3 930 B11R1.40 COC(=O)\C=C1\CCCOC1 Amb33307118 [1,0,0,1,0,0|1,0,0]=3 931 B11R1.40 COC(=O)\C=C1\CCCSC1 Amb27454204 [1,0,0,1,0,0|1,0,0]=3 932 B11R1.40 NNC(=O)C=C1CCCCC1 Amb28204691 [1,0,0,1,0,0|2,0,0]=4 933 B11R1.59 C=CC1CCC=C1C(=O)OC Amb27433444 [1,0,0,1,0,0|0,0,2]=4 934 B11R1.59 CCC1CC=CN1C(=O)OC Amb28251032 [1,0,0,1,0,0|1,0,1]=4 935 B11R1.59 CCC1CCNC1C(=O)OC Amb18126064 [1,0,0,1,0,0|1,0,1]=4 936 B11R1.59 CC[C@H]1CCN[C@@H]1C(=O)OC Amb24562884 [1,0,0,1,0,0|1,0,1]=4 937 B11R1.59 CC[C@H]1CCN[C@H]1C(=O)OC Amb27649195 [1,0,0,1,0,0|1,0,1]=4 938 B11R1.59 COC(=O)C1=CCCC1C#N Amb25172764 [1,0,0,1,0,0|1,0,1]=4 939 B11R1.131 CCCC1CC1NC(=O)CC Amb27271447 [1,0,0,1,0,0|1,0,1]=4 940 B11R1.131 CCCC1CC1NC(=O)OC Amb27271433 [1,0,0,1,0,0|1,0,1]=4 941 B11R1.212 CCCCC1C=CC(=O)C1C Amb27427259 [1,0,0,1,0,0|0,0,0]=2 942 B11R1.212 CCCCC1C=CC(=O)C1Cl Amb27477929 [1,0,0,1,0,0|1,0,0]=3 943 B11R1.212 CCCCC1CCC(=O)C1C Amb27982197 [1,0,0,1,0,0|0,0,2]=4 944 B11R1.212 CCCCC1NNC(=O)C1C Amb30012395 [1,0,0,1,0,0|2,0,0]=4 945 B11R1.212 CCCC[C@@H]1CCC(=O)[C@H]1C Amb27432697 [1,0,0,1,0,0|0,0,2]=4 946 B11R1.214 CCCCc1ccc(CC)s1 Amb6357575 [1,0,0,1,0,0|0,1,1]=4 947 B11R1.222 COC(=O)C1=C(C)CCCC1 Amb24593167 [1,0,0,1,0,0|0,0,2]=4 948 B11R1.222 COC(=O)C1=CCCCN1C Amb23585371 [1,0,0,1,0,0|1,0,0]=3 949 B11R1.222 COC(=O)C1=CCCC[C@H]1O Amb27595339 [1,0,0,1,0,0|1,0,0]=3 950 B11R1.222 COC(=O)C1NCCCC1C Amb23590118 [1,0,0,1,0,0|1,0,1]=4 951 B11R1.222 COC(=O)[C@@H]1NCCC[C@@H]1C Amb24716098 [1,0,0,1,0,0|1,0,1]=4 952 B11R1.222 COC(=O)[C@H]1NCCC[C@@H]1C Amb27623073 [1,0,0,1,0,0|1,0,1]=4 953 B11R1.223 COC(=O)CNC1CCC1C Amb27270147 [1,0,0,1,0,0|1,0,1]=4 954 B11R1.228 CCC(=O)CN1CCCC1C Amb18183020 [1,0,0,1,0,0|1,0,1]=4 955 B11R1.228 CCC(=O)NC1CCCC1C Amb27973185 [1,0,0,1,0,0|1,0,1]=4 956 B11R1.228 CCS(=O)\N=C1/CCCC1C Amb35681745 [1,0,0,1,0,0|2,0,0]=4 957 B11R1.228 COC(=O)CC1CCCC1C Amb27768232 [1,0,0,1,0,0|0,0,2]=4 958 B11R1.228 COC(=O)\C=C1/CCCN1C Amb28985767 [1,0,0,1,0,0|1,0,0]=3 959 B11R1.228 COC(=O)\C=C1/CCSC1C Amb33504056 [1,0,0,1,0,0|1,0,0]=3 960 B11R1.228 COC(=O)\C=C1/NCCC1C Amb27215321 [1,0,0,1,0,0|1,0,0]=3 961 B11R1.228 COC(=O)\C=C1\CCCC1C Amb24712218 [1,0,0,1,0,0|0,0,0]=2 962 B11R1.228 COC(=O)\C=C1\CCCN1C Amb25310230 [1,0,0,1,0,0|1,0,0]=3 963 B11R1.228 COC(=O)\C=C1\CCSC1C Amb28324788 [1,0,0,1,0,0|1,0,0]=3 964 B11R1.228 COC(=O)\C=C1\COCC1C Amb33493016 [1,0,0,1,0,0|1,0,0]=3 965 B11R1.236 COC(=O)NCCC1CCC1 Amb28387542 [1,0,0,1,0,0|1,0,1]=4 966 B11R1.236 COC(=O)\C=C\CN1CCC1 Amb27671173 [1,0,0,1,0,0|1,0,0]=3 967 B11R1.255 CCC1CC1CNC(=O)OC Amb27671436 [1,0,0,1,0,0|1,0,1]=4 968 B11R1.255 CC[C@@H]1C[C@H]1C#CC(=O)OC Amb27433670 [1,0,0,1,0,0|0,0,2]=4 969 B11R1.255 CC[C@@H]1C[C@H]1CNC(=O)OC Amb27671437 [1,0,0,1,0,0|1,0,1]=4 970 B11R1.272 CCC1CCN1CC(=O)OC Amb27986952 [1,0,0,1,0,0|1,0,1]=4 971 B11R1.757 CCCCCC1=CC(=O)C1=O Amb27672574 [1,0,0,1,0,0|1,0,1]=4 972 B11R1.852 CCC(=O)C1CCCCCC1 Amb27455372 [1,0,0,1,0,0|0,0,2]=4 973 B11R1.852 CCC(=O)C1CCCCCN1 Amb27173385 [1,0,0,1,0,0|1,0,1]=4 974 B11R1.852 CCC(=O)C1CCCCCO1 Amb27843627 [1,0,0,1,0,0|1,0,1]=4 975 B11R1.852 CCC(=O)N1CCCCCC1 Amb5797491 [1,0,0,1,0,0|1,0,1]=4 976 B11R1.852 CCC(=O)N1CCCCCO1 Amb27207755 [1,0,0,1,0,0|2,0,0]=4 977 B11R1.852 CC[C@@H](O)C1=CCCCCC1 Amb27823683 [1,0,0,1,0,0|0,0,2]=4 978 B11R1.852 CNC(=O)C1=CCCCCC1 Amb27206336 [1,0,0,1,0,0|1,0,0]=3 979 B11R1.852 COC(=O)C1=CCCCCC1 Amb26060569 [1,0,0,1,0,0|0,0,0]=2 980 B11R1.852 COC(=O)C1=NNCCCC1 Amb26432638 [1,0,0,1,0,0|2,0,0]=4 981 B11R1.852 COC(=O)C1CCCCCC1 Amb18182101 [1,0,0,1,0,0|0,0,2]=4 982 B11R1.852 COC(=O)C1CCCCCN1 Amb21963566 [1,0,0,1,0,0|1,0,1]=4 983 B11R1.852 COC(=O)C1CCCCCN1 Amb33548478 [1,0,0,1,0,0|1,0,1]=4 984 B11R1.852 COC(=O)N1C=CCCCC1 Amb32674642 [1,0,0,1,0,0|1,0,1]=4 985 B11R1.852 COC(=O)N1CCCCCC1 Amb17789384 [1,0,0,1,0,0|1,0,1]=4 986 B11R1.852 COC(=O)N1CCCCCO1 Amb27207557 [1,0,0,1,0,0|2,0,0]=4 987 B11R1.852 NCC(=O)C1=CCCCCC1 Amb28293576 [1,0,0,1,0,0|1,0,0]=3 988 B13R1.42 CCNC(=O)NN=C1CCCCC1 Amb24453350 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.42 CCNC(=O)\C=C\C1CC=CCC1 Amb27956007 [0,1,0,1,0,0|1,0,1]=4 990 B13R1.42 CCOC(=O)C#CC1CCCCC1 Amb33168619 [0,1,0,1,0,0|0,0,2]=4 991 B13R1.42 CCOC(=O)C#CC1CCCCN1 Amb33168629 [0,1,0,1,0,0|0,0,2]=4 992 B13R1.42 CCOC(=O)C#CC1CCCCO1 Amb33168706 [0,1,0,1,0,0|0,0,2]=4 993 B13R1.42 CCOC(=O)C#CC1CCCCS1 Amb33168748 [0,1,0,1,0,0|0,0,2]=4 994 B13R1.42 CCOC(=O)C#CC1CCCNC1 Amb33168628 [0,1,0,1,0,0|0,0,2]=4 995 B13R1.42 CCOC(=O)C#CC1CCCOC1 Amb33168692 [0,1,0,1,0,0|0,0,2]=4 996 B13R1.42 CCOC(=O)C#CC1CCCSC1 Amb33168741 [0,1,0,1,0,0|0,0,2]=4 997 B13R1.42 CCOC(=O)C#CC1CCNCC1 Amb28128834 [0,1,0,1,0,0|0,0,2]=4 998 B13R1.42 CCOC(=O)C#CC1CCOCC1 Amb33168640 [0,1,0,1,0,0|0,0,2]=4 999 B13R1.42 CCOC(=O)C#CC1CCSCC1 Amb33168726 [0,1,0,1,0,0|0,0,2]=4 1000 B13R1.42 CCOC(=O)CCC1CCCCC1 Amb4007386 [0,1,0,1,0,0|0,0,2]=4 1001 B13R1.42 CCOC(=O)CCC1CCCCN1 Amb18328931 [0,1,0,1,0,0|0,0,2]=4 1002 B13R1.42 CCOC(=O)CCC1CCCCN1 Amb32681169 [0,1,0,1,0,0|0,0,2]=4 1003 B13R1.42 CCOC(=O)CCC1CCCNC1 Amb33550327 [0,1,0,1,0,0|0,0,2]=4 1004 B13R1.42 CCOC(=O)CCC1CCCNC1 Amb9902059 [0,1,0,1,0,0|0,0,2]=4 1005 B13R1.42 CCOC(=O)CCC1CCNCC1 Amb22230647 [0,1,0,1,0,0|0,0,2]=4 1006 B13R1.42 CCOC(=O)CCC1CCNCC1 Amb9902058 [0,1,0,1,0,0|0,0,2]=4 1007 B13R1.42 CCOC(=O)CCC1CCOCC1 Amb32412841 [0,1,0,1,0,0|0,0,2]=4 1008 B13R1.42 CCOC(=O)CCN1CCCCC1 Amb1981444 [0,1,0,1,0,0|0,0,2]=4 1009 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb33548346 [0,1,0,1,0,0|0,0,2]=4 1010 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb6706998 [0,1,0,1,0,0|0,0,2]=4 1011 B13R1.42 CCOC(=O)CNC1CCOCC1 Amb9474106 [0,1,0,1,0,0|1,0,1]=4 1012 B13R1.42 CCOC(=O)COC1CCCCO1 Amb30633530 [0,1,0,1,0,0|1,0,1]=4 1013 B13R1.42 CCOC(=O)COC1CCNCC1 Amb33204431 [0,1,0,1,0,0|1,0,1]=4 1014 B13R1.42 CCOC(=O)COC1CCNCC1 Amb33204439 [0,1,0,1,0,0|1,0,1]=4 1015 B13R1.42 CCOC(=O)NN=C1CCOCC1 Amb25129496 [0,1,0,1,0,0|2,0,0]=4 1016 B13R1.42 CCOC(=O)NN=C1CCSCC1 Amb2678863 [0,1,0,1,0,0|2,0,0]=4 1017 B13R1.42 CCOC(=O)NNC1=NCCCC1 Amb10976586 [0,1,0,1,0,0|2,0,0]=4 1018 B13R1.42 CCOC(=O)N\N=C1\CCCOC1 Amb27661649 [0,1,0,1,0,0|2,0,0]=4 1019 B13R1.42 CCOC(=O)\C=C\C1CCCCC1 Amb10067015 [0,1,0,1,0,0|0,0,0]=2 1020 B13R1.42 CCOC(=O)\C=C\C1CCCOC1 Amb33469181 [0,1,0,1,0,0|0,0,0]=2 1021 B13R1.42 CCOC(=O)\C=C\C1CCOCC1 Amb30594533 [0,1,0,1,0,0|0,0,0]=2 1022 B13R1.42 CCOC(=O)\C=C\N1CCOCC1 Amb28468110 [0,1,0,1,0,0|1,0,0]=3 1023 B13R1.42 CONC(=O)\C=C\C1CCCCC1 Amb27188312 [0,1,0,1,0,0|2,0,0]=4 1024 B13R1.42 CONC(=O)\C=C\C1CCOCC1 Amb28051401 [0,1,0,1,0,0|2,0,0]=4 1025 B13R1.119 OCCCCC\C=C\C1OCCO1 Amb27270924 [0,1,0,1,0,0|0,0,2]=4 1026 B13R1.208 CCCC1CCNC1C(=O)OCC Amb33727374 [0,1,0,1,0,0|0,0,2]=4 1027 B13R1.208 CCC[C@@H]1CNC[C@H]1C(=O)OCC Amb33038597 [0,1,0,1,0,0|0,0,2]=4 1028 B13R1.208 CCCc1ccsc1C(=O)OCC Amb32751812 [0,1,0,1,0,0|0,0,2]=4 1029 B13R1.208 CCCn1ccnc1C(=O)OCC Amb24269081 [0,1,0,1,0,0|1,0,1]=4 1030 B13R1.279 O=C1C=CCCCCCCCC=C1 Amb28141306 [0,1,0,1,0,0|1,0,0]=3 1031 B13R1.404 CCOC(=O)CCNC1CCCC1 Amb9024240 [0,1,0,1,0,0|0,0,2]=4 1032 B13R1.404 CCOC(=O)CNCC1CCCO1 Amb9748906 [0,1,0,1,0,0|1,0,1]=4 1033 B13R1.404 CCOC(=O)COCC1CCCO1 Amb7773822 [0,1,0,1,0,0|1,0,1]=4 1034 B13R1.404 CCOC(=O)\C=C\CN1CCCC1 Amb33228387 [0,1,0,1,0,0|0,0,0]=2 1035 B13R1.404 CCOC(=O)\C=N/OC1CCCC1 Amb24103474 [0,1,0,1,0,0|1,0,0]=3 1036 B13R1.443 CCOC(=O)\C=C1\CCCC1OC Amb33493249 [0,1,0,1,0,0|0,0,0]=2 1037 B13R1.444 CCOC(=O)C#CC1CCCC1O Amb27978015 [0,1,0,1,0,0|0,0,2]=4 1038 B13R1.444 CCOC(=O)C#CC1CCCN1C Amb33168701 [0,1,0,1,0,0|0,0,2]=4 1039 B13R1.444 CCOC(=O)C#CC1CCNC1C Amb33168773 [0,1,0,1,0,0|0,0,2]=4 1040 B13R1.444 CCOC(=O)C#CC1CCOC1C Amb33168764 [0,1,0,1,0,0|0,0,2]=4 1041 B13R1.444 CCOC(=O)C#CC1NCCC1C Amb33168740 [0,1,0,1,0,0|0,0,2]=4 1042 B13R1.445 CCOC(=O)C#CC1CCN1CC Amb33168780 [0,1,0,1,0,0|0,0,2]=4 1043 B13R1.463 CCCC(=O)C1CCCCCC1=O Amb26036690 [0,1,0,1,0,0|1,0,1]=4 1044 B13R1.463 CCOC(=O)C1=C(N)CCCCC1 Amb26495568 [0,1,0,1,0,0|0,0,0]=2 1045 B13R1.463 CCOC(=O)C1=CCCCCC1=O Amb17594687 [0,1,0,1,0,0|0,0,1]=3 1046 B13R1.463 CCOC(=O)C1CCCCCC1=O Amb33538921 [0,1,0,1,0,0|0,0,1]=3 1047 B13R1.463 CCOC(=O)C1CCCCCN1C Amb28126421 [0,1,0,1,0,0|0,0,2]=4 1048 B13R1.463 CCOC(=O)C1CCCCNC1C Amb27415710 [0,1,0,1,0,0|0,0,2]=4 1049 B13R1.463 CCOC(=O)C1CCNCCC1=O Amb22757099 [0,1,0,1,0,0|1,0,1]=4 1050 B13R1.463 CCOC(=O)C1CCNCCC1=O Amb25827042 [0,1,0,1,0,0|1,0,1]=4 1051 B13R1.463 CCOC(=O)C1CCOCCC1=O Amb26327931 [0,1,0,1,0,0|1,0,1]=4 1052 B13R1.463 CCOC(=O)C1CCSCCC1=O Amb28124188 [0,1,0,1,0,0|1,0,1]=4 1053 B13R1.463 CCOC(=O)C1CNCCCC1=O Amb2700396 [0,1,0,1,0,0|1,0,1]=4 1054 B13R1.463 CCOC(=O)N1CCCCCC1C Amb28366124 [0,1,0,1,0,0|0,0,2]=4 1055 B13R1.463 CCOC(=O)N1CCCNCC1C Amb17578442 [0,1,0,1,0,0|1,0,1]=4 1056 B13R1.463 CCOC(=O)N1CCCOCC1C Amb27449008 [0,1,0,1,0,0|1,0,1]=4 1057 B13R1.463 CCOC(=O)N1CCOCCC1C Amb27651218 [0,1,0,1,0,0|1,0,1]=4 1058 B13R1.463 CCOC(=O)[C@@H]1CCCCC[C@@H]1N Amb33739710 [0,1,0,1,0,0|0,0,2]=4 1059 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@@H]1N Amb28457466 [0,1,0,1,0,0|0,0,2]=4 1060 B13R1.463 CCSC(=O)N1CCCCCC1=O Amb26567825 [0,1,0,1,0,0|1,1,0]=4 1061 B13R1.463 C\C=C\C(=O)C1=C(C)CCCCC1 Amb27954025 [0,1,0,1,0,0|1,0,1]=4 1062 B13R1.464 CCOC(=O)C1CCCCC1CN Amb32652813 [0,1,0,1,0,0|0,0,2]=4 1063 B13R1.464 CCOC(=O)C1CCCCC1CN Amb32652814 [0,1,0,1,0,0|0,0,2]=4 1064 B13R1.464 CCOC(=O)C1CCCNC1CC Amb33275593 [0,1,0,1,0,0|0,0,2]=4 1065 B13R1.464 CCOC(=O)N1CCCCC1CO Amb5721750 [0,1,0,1,0,0|1,0,1]=4 1066 B13R1.464 CCOC(=O)[C@@H]1CCCC[C@@H]1CN Amb32645975 [0,1,0,1,0,0|0,0,2]=4 1067 B13R1.464 CCOC(=O)[C@@H]1CCCC[C@@H]1CN Amb32653117 [0,1,0,1,0,0|0,0,2]=4 1068 B13R1.464 CCOC(=O)[C@H]1CCCC[C@H]1CN Amb35745842 [0,1,0,1,0,0|0,0,2]=4 1069 B13R1.464 CCOC(=O)[C@H]1CCCC[C@H]1CN Amb35745848 [0,1,0,1,0,0|0,0,2]=4 1070 B13R1.470 CCNC(=O)\C=C1\CCCCC1=O Amb26456617 [0,1,0,1,0,0|1,0,1]=4 1071 B13R1.470 CCOC(=O)CC1CCCCC1N Amb33042724 [0,1,0,1,0,0|0,0,2]=4 1072 B13R1.470 CCOC(=O)CC1CCCNC1C Amb33745024 [0,1,0,1,0,0|0,0,2]=4 1073 B13R1.470 CCOC(=O)CC1CCNCC1C Amb23439503 [0,1,0,1,0,0|0,0,2]=4 1074 B13R1.470 CCOC(=O)CC1CCNCC1C Amb32412884 [0,1,0,1,0,0|0,0,2]=4 1075 B13R1.470 CCOC(=O)CC1CNCCC1C Amb33746513 [0,1,0,1,0,0|0,0,2]=4 1076 B13R1.470 CCOC(=O)CN1CCCCC1C Amb7761441 [0,1,0,1,0,0|0,0,2]=4 1077 B13R1.470 CCOC(=O)C[C@@H]1CCCC[C@@H]1N Amb32697921 [0,1,0,1,0,0|0,0,2]=4 1078 B13R1.470 CCOC(=O)NC1CCNCC1C Amb27950339 [0,1,0,1,0,0|1,0,1]=4 1079 B13R1.470 CCOC(=O)N[C@@H]1CCCC[C@@H]1O Amb27969103 [0,1,0,1,0,0|1,0,1]=4 1080 B13R1.470 CCOC(=O)N[C@@H]1CCCC[C@H]1Cl Amb28053591 [0,1,0,1,0,0|1,0,1]=4 1081 B13R1.470 CCOC(=O)N[C@@H]1CCCC[C@H]1O Amb27446899 [0,1,0,1,0,0|1,0,1]=4 1082 B13R1.470 CCOC(=O)N[C@@H]1CCCN[C@@H]1C Amb28145048 [0,1,0,1,0,0|1,0,1]=4 1083 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1F Amb28073065 [0,1,0,1,0,0|1,0,1]=4 1084 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@H]1O Amb27645595 [0,1,0,1,0,0|1,0,1]=4 1085 B13R1.470 CCOC(=O)\C=C1/CCNCC1F Amb29837952 [0,1,0,1,0,0|1,0,0]=3 1086 B13R1.470 CCOC(=O)\C=C1\CCCCC1C Amb33493086 [0,1,0,1,0,0|0,0,0]=2 1087 B13R1.470 CCOC(=O)\C=C1\CCCOC1O Amb28079165 [0,1,0,1,0,0|1,0,0]=3 1088 B13R1.470 CCOC(=O)\C=C1\CCOCC1C Amb33493240 [0,1,0,1,0,0|0,0,0]=2 1089 B13R1.657 CCCNCc1cnc(OCC)s1 Amb2592145 [0,1,0,1,0,0|1,1,0]=4 1090 B13R1.1464 CCOC(=O)C1=CCCCCCC1 Amb27217937 [0,1,0,1,0,0|0,0,0]=2 1091 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [0,1,0,1,0,0|0,0,2]=4 1092 B13R1.1464 CCOC(=O)C1CCCCCCN1 Amb25104056 [0,1,0,1,0,0|0,0,2]=4 1093 B13R1.1464 COCC(=O)C1=CCCCCCC1 Amb27787643 [0,1,0,1,0,0|2,0,0]=4 1094 B13R1.1464 CSCC(=O)C1=CCCCCCC1 Amb28078113 [0,1,0,1,0,0|2,0,0]=4 1095 B13R1.1464 NCCC(=O)C1=CCCCCCC1 Amb27193702 [0,1,0,1,0,0|2,0,0]=4 1096 B13R1.1575 CCOC(=O)C=C1CCCCCC1 Amb2686625 [0,1,0,1,0,0|0,0,0]=2 1097 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [0,1,0,1,0,0|0,0,2]=4 1098 B13R1.1575 CCOC(=O)CC1CCCCCN1 Amb22498856 [0,1,0,1,0,0|0,0,2]=4 1099 B13R1.1575 CCOC(=O)CC1CCCNCC1 Amb33744604 [0,1,0,1,0,0|0,0,2]=4 1100 B13R1.1575 CCOC(=O)CC1CCCOCC1 Amb33068691 [0,1,0,1,0,0|0,0,2]=4 1101 B13R1.1575 CCOC(=O)CN1CCCCCC1 Amb7760714 [0,1,0,1,0,0|0,0,2]=4 1102 B13R1.1575 CCOC(=O)CN1CCCNCC1 Amb1121184 [0,1,0,1,0,0|1,0,1]=4 1103 B13R1.1575 CCOC(=O)CN1CCCNCC1 Amb6892557 [0,1,0,1,0,0|1,0,1]=4 1104 B13R1.1575 CCOC(=O)NC1CCCCCC1 Amb6874631 [0,1,0,1,0,0|0,0,2]=4 1105 B13R1.1575 CCOC(=O)NC1CCCNCC1 Amb27207941 [0,1,0,1,0,0|1,0,1]=4 1106 B13R1.1575 CCOC(=O)NC1CCCSCC1 Amb35691529 [0,1,0,1,0,0|1,0,1]=4 1107 B13R1.1575 CCOC(=O)\C=C1/CCCCCN1 Amb22725441 [0,1,0,1,0,0|0,0,0]=2 1108 B13R1.1575 CCOC(=O)\C=C1\CCCCCN1 Amb18823238 [0,1,0,1,0,0|0,0,0]=2 1109 B13R1.1575 CCOC(=O)\C=C1\CCCOCC1 Amb33468711 [0,1,0,1,0,0|0,0,0]=2 1110 B13R1.1650 CCCCC1C=CCC(=O)CC1O Amb27188551 [0,1,0,1,0,0|2,0,0]=4 1111 B13R1.1650 CCCC[C@@H]1CC=CC(=O)CC1Cl Amb27268462 [0,1,0,1,0,0|2,0,0]=4 1112 B13R1.2851 CCCCOC1CC1C(=O)OCC Amb9677551 [0,1,0,1,0,0|0,0,2]=4 1113 B13R1.348 C=C(C)CC(=O)C=C1CCCCC1 Amb27603900 [0,1,0,1,0,0|1,0,1]=4 1114 B13R1.348 CC(C)=CC(=O)C=C1CCCCC1 Amb28321849 [0,1,0,1,0,0|1,0,1]=4 1115 B13R1.348 CC(C)OC(=O)C=C1CCCCC1 Amb27810036 [0,1,0,1,0,0|0,0,0]=2 1116 B13R1.348 CC(Cl)OC(=O)OC1CCCCC1 Amb8385743 [0,1,0,1,0,0|1,0,1]=4 1117 B13R1.348 CC(I)OC(=O)OC1CCCCC1 Amb8390778 [0,1,0,1,0,0|1,0,1]=4 1118 B13R1.775 C[C@H]1CCCCC[C@H](O)CC(=O)O1 Amb27467919 [0,1,0,1,0,0|0,0,2]=4 1119 B13R1.7456 CC(C)NC(=O)C1=CCCCCC1 Amb27591088 [0,1,0,1,0,0|1,0,0]=3 1120 B13R1.7456 CC(C)OC(=O)C1CCCCCC1 Amb27459279 [0,1,0,1,0,0|0,0,2]=4 1121 B13R1.135 CCN(C)C(=O)C=C1CCCCC1 Amb28051254 [0,1,0,1,0,0|1,0,0]=3 1122 B13R1.2620 CCC(C)C(=O)C1=CCCCCC1 Amb18186717 [0,1,0,1,0,0|1,0,0]=3 1123 B13R1.2620 CCC(O)C(=O)C1=CCCCCC1 Amb27448563 [0,1,0,1,0,0|1,0,0]=3 1124 B13R1.2620 CCN(C)C(=O)C1=CCCCCC1 Amb27187989 [0,1,0,1,0,0|1,0,0]=3 1125 B13R1.2620 CC[C@@H](N)C(=O)C1=CCCCCC1 Amb30024593 [0,1,0,1,0,0|1,0,0]=3 1126 B13R1.2620 CC[C@H](N)C(=O)C1=CCCCCC1 Amb35600749 [0,1,0,1,0,0|1,0,0]=3 1127 B13R1.2620 CN[C@@H](C)C(=O)C1=CCCCCC1 Amb35659971 [0,1,0,1,0,0|2,0,0]=4 1128 B13R1.2620 COC(C)C(=O)C1=CCCCCC1 Amb27478955 [0,1,0,1,0,0|2,0,0]=4 1129 B13R1.41 CCOC(=O)C#CC1CCC(C)C1 Amb33168728 [0,1,0,1,0,0|0,0,2]=4 1130 B13R1.446 CCOC(=O)C1=NC(C)SCC1C Amb27606411 [0,1,0,1,0,0|2,0,0]=4 1131 B13R1.446 CCOC(=O)C1CC(O)CCC1C Amb28185152 [0,1,0,1,0,0|0,0,2]=4 1132 B13R1.446 CCOC(=O)N1CC(N)CCC1C Amb28346024 [0,1,0,1,0,0|1,0,1]=4 1133 B13R1.446 CCOC(=O)N1CC(O)CCC1C Amb27430890 [0,1,0,1,0,0|1,0,1]=4 1134 B13R1.446 CCOC(=O)N1C[C@@H](O)CC[C@@H]1C Amb28139227 [0,1,0,1,0,0|1,0,1]=4 1135 B13R1.446 CCOC(=O)[C@@H]1C[C@@H](O)CC[C@H]1C Amb28345376 [0,1,0,1,0,0|0,0,2]=4 1136 B13R1.446 CCOC(=O)[C@H]1C[C@@H](O)CC[C@@H]1C Amb28194203 [0,1,0,1,0,0|0,0,2]=4 1137 B13R1.686 C#CCOC(=O)\C=C1/CCOC1C Amb27766205 [0,1,0,1,0,0|1,0,1]=4 1138 B13R1.686 CC1OCC\C1=C/C(=O)NCCF Amb27834845 [0,1,0,1,0,0|2,0,0]=4 1139 B13R1.686 CCONC(=O)NC1CCCC1C Amb27771200 [0,1,0,1,0,0|1,0,1]=4 1140 B13R1.1462 CCOC(=O)N1CCCCC(F)C1 Amb28349880 [0,1,0,1,0,0|1,0,1]=4 1141 B13R1.1462 CCOC(=O)N1CCCCC(N)C1 Amb32416384 [0,1,0,1,0,0|1,0,1]=4 1142 B13R1.1483 CCOC(=O)CCC1(N)CCCC1 Amb33728727 [0,1,0,1,0,0|0,0,2]=4 1143 B13R1.3130 CCOC(=O)C#CC(C)C1CCC1 Amb33168737 [0,1,0,1,0,0|0,0,2]=4 1144 B13R1.3130 CCOC(=O)C#CC(N)C1CCC1 Amb33168759 [0,1,0,1,0,0|0,0,2]=4 1145 B13R1.5075 CCCCC1(C)OC1C(=O)OCC Amb33071024 [0,1,0,1,0,0|1,0,1]=4 1146 B13R1.47 C=C(C(=O)OCC)C1CCCCC1 Amb33035924 [0,1,0,1,0,0|0,0,1]=3 1147 B13R1.47 CCOC(=O)C(=O)C1CCCCC1 Amb8467892 [0,1,0,1,0,0|0,0,1]=3 1148 B13R1.47 CCOC(=O)C(=O)C1CCCCN1 Amb22741290 [0,1,0,1,0,0|1,0,1]=4 1149 B13R1.47 CCOC(=O)C(=O)C1CCNCC1 Amb18561863 [0,1,0,1,0,0|1,0,1]=4 1150 B13R1.47 CCOC(=O)C(=O)C1CCOCC1 Amb32655873 [0,1,0,1,0,0|1,0,1]=4 1151 B13R1.47 CCOC(=O)C(=O)N1CCCCC1 Amb6348193 [0,1,0,1,0,0|1,0,0]=3 1152 B13R1.47 CCOC(=O)C(=O)N1CCNCC1 Amb18977778 [0,1,0,1,0,0|2,0,0]=4 1153 B13R1.47 CCOC(=O)C(=O)N1CCNCC1 Amb19414871 [0,1,0,1,0,0|2,0,0]=4 1154 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 Amb3886859 [0,1,0,1,0,0|2,0,0]=4 1155 B13R1.47 CCOC(=O)C(Br)C1CCCCC1 Amb8439520 [0,1,0,1,0,0|0,0,2]=4 1156 B13R1.47 CCOC(=O)C(C)=C1CCCCC1 Amb28367251 [0,1,0,1,0,0|0,0,0]=2 1157 B13R1.47 CCOC(=O)C(C)=C1CCNCC1 Amb28056167 [0,1,0,1,0,0|1,0,0]=3 1158 B13R1.47 CCOC(=O)C(C)N1CCCCC1 Amb974905 [0,1,0,1,0,0|1,0,1]=4 1159 B13R1.47 CCOC(=O)C(F)=C1CCNCC1 Amb33484137 [0,1,0,1,0,0|1,0,0]=3 1160 B13R1.47 CCOC(=O)C(F)=C1CCNCC1 Amb33484204 [0,1,0,1,0,0|1,0,0]=3 1161 B13R1.47 CCOC(=O)C(N)C1CCCCC1 Amb18304779 [0,1,0,1,0,0|0,0,2]=4 1162 B13R1.47 CCOC(=O)C(N)C1CCCCC1 Amb31188174 [0,1,0,1,0,0|0,0,2]=4 1163 B13R1.47 CCOC(=O)C(O)C1=CCCCC1 Amb33097494 [0,1,0,1,0,0|0,0,2]=4 1164 B13R1.47 CCOC(=O)[C@@H](N)C1CCCCC1 Amb33802949 [0,1,0,1,0,0|0,0,2]=4 1165 B13R1.66 CCNC(=O)C(=O)NC1CCCC1 Amb3607778 [0,1,0,1,0,0|2,0,0]=4 1166 B13R1.66 CCOC(=O)C(=O)CC1CCCN1 Amb33291128 [0,1,0,1,0,0|1,0,1]=4 1167 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 Amb3886818 [0,1,0,1,0,0|1,0,0]=3 1168 B13R1.66 CCOC(=O)C(C)NC1CCCC1 Amb18323277 [0,1,0,1,0,0|1,0,1]=4 1169 B13R1.66 CCOC(=O)C(N)CC1CCCC1 Amb19045803 [0,1,0,1,0,0|0,0,2]=4 1170 B13R1.361 CCCc1nc(C(=O)OCC)co1 Amb33623974 [0,1,0,1,0,0|1,0,1]=4 1171 B13R1.1552 CCOC(=O)C1(C)CCCCCN1 Amb32696814 [0,1,0,1,0,0|1,0,1]=4 1172 B13R1.1552 CCOC(=O)C1(N)CCCCCC1 Amb17755252 [0,1,0,1,0,0|0,0,2]=4 1173 B13R1.1552 CCOC(=O)C1(O)CCCCCC1 Amb19075774 [0,1,0,1,0,0|0,0,2]=4 1174 B13R1.2909 CCOC(=O)\C(C)=C1/CCCC1C Amb27601929 [0,1,0,1,0,0|0,0,0]=2 1175 B13R1.2909 CCOC(=O)\C(C)=C1/CCSC1C Amb27213054 [0,1,0,1,0,0|1,0,0]=3 1176 B13R1.2909 CCOC(=O)\C(C)=C1/COCC1C Amb35631885 [0,1,0,1,0,0|1,0,0]=3 1177 B13R1.2909 CCOC(=O)\C(C)=C1/CSCC1C Amb27768925 [0,1,0,1,0,0|1,0,0]=3 1178 B13R1.2909 CCOC(=O)\C(O)=C1/CCCC1=O Amb34890885 [0,1,0,1,0,0|1,0,1]=4 1179 B13R1.2909 CCOC(=O)\C(O)=C1\CCCC1=O Amb33718948 [0,1,0,1,0,0|1,0,1]=4 1180 B13R1.2912 CCOC(=O)C(N)CC1CC1CC Amb33065972 [0,1,0,1,0,0|0,0,2]=4 1181 B13R1.2912 CCOC(=O)C(N)C[C@@H]1C[C@H]1CC Amb33309031 [0,1,0,1,0,0|0,0,2]=4 1182 B13R1.2966 CCOC(=O)C(=O)NCC1CCO1 Amb32645025 [0,1,0,1,0,0|2,0,0]=4 1183 B13R1.2966 CCOC(=O)C(N)CCC1CCC1 Amb33308563 [0,1,0,1,0,0|0,0,2]=4 1184 B13R1.2967 CCOC(=O)C(N)CCCC1CC1 Amb33127521 [0,1,0,1,0,0|0,0,2]=4 1185 B13R1.44 C#CCOC(=O)C=C1CCSCC1 Amb27218404 [0,1,0,1,0,0|1,0,1]=4 1186 B13R1.44 CC#CCC(=O)C=C1CCCCC1 Amb27650800 [0,1,0,1,0,0|1,0,1]=4 1187 B13R1.44 CCCNC(=O)C=C1CCOCC1 Amb27207629 [0,1,0,1,0,0|2,0,0]=4 1188 B13R1.44 CCONC(=O)NC1CCCCC1 Amb27409794 [0,1,0,1,0,0|1,0,1]=4 1189 B13R1.44 O=C(C=C1CCCCC1)NCCF Amb27604078 [0,1,0,1,0,0|1,0,0]=3 1190 B13R1.44 O=C(C=C1CCOCC1)NCCO Amb28281396 [0,1,0,1,0,0|2,0,0]=4 1191 B13R1.73 CCC\C=C1\C=CC(=O)OC1CO Amb27835171 [0,1,0,1,0,0|0,0,2]=4 1192 B13R1.500 CCCCn1ccc(COCC)n1 Amb24269377 [0,1,0,1,0,0|2,0,0]=4 1193 B13R1.674 CCONC(=O)C1NCCCC1C Amb28188551 [0,1,0,1,0,0|1,0,1]=4 1194 B13R1.2488 CC#CCC(=O)C1=CCCCCC1 Amb27235529 [0,1,0,1,0,0|1,0,1]=4 1195 B13R1.2488 CCCNC(=O)C1=CCCCCC1 Amb28051099 [0,1,0,1,0,0|1,0,0]=3 1196 B13R1.2488 C\C(=C/CCBr)C1=CCCCCC1 Amb27175434 [0,1,0,1,0,0|2,0,0]=4 1197 B13R1.2488 C\C(=C/CCN)C1=CCCCCC1 Amb27623106 [0,1,0,1,0,0|2,0,0]=4 1198 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|0,0,2]=4 1199 B13R1.20 CCOC(=O)CC1CCCC(C)C1 Amb33620831 [0,1,0,1,0,0|0,0,2]=4 1200 B13R1.20 CCOC(=O)CC1CCCC(C)N1 Amb33356214 [0,1,0,1,0,0|0,0,2]=4 1201 B13R1.20 CCOC(=O)CN1CCCC(C)C1 Amb7760751 [0,1,0,1,0,0|1,0,1]=4 1202 B13R1.20 CCOC(=O)CN1CCCC(O)C1 Amb19076447 [0,1,0,1,0,0|1,0,1]=4 1203 B13R1.20 CCOC(=O)NC1CCCC(O)C1 Amb27446636 [0,1,0,1,0,0|1,0,1]=4 1204 B13R1.20 CCOC(=O)N[C@H]1CCC[C@@H](O)C1 Amb27451821 [0,1,0,1,0,0|1,0,1]=4 1205 B13R1.20 CCOC(=O)\C=C1/CCCC(C)C1 Amb33504067 [0,1,0,1,0,0|0,0,0]=2 1206 B13R1.20 CCOC(=O)\C=C1/CCOC(C)C1 Amb33493242 [0,1,0,1,0,0|1,0,0]=3 1207 B13R1.20 CCOC(=O)\C=C1\CCCC(C)C1 Amb33189154 [0,1,0,1,0,0|0,0,0]=2 1208 B13R1.20 CCOC(=O)\C=C1\CCCC(C)N1 Amb27400941 [0,1,0,1,0,0|0,0,0]=2 1209 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 Amb33290989 [0,1,0,1,0,0|1,0,1]=4 1210 B13R1.33 CCCC(=O)NC(=N)C1CCCC1 Amb28398865 [0,1,0,1,0,0|2,0,0]=4 1211 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 Amb2684005 [0,1,0,1,0,0|0,0,1]=3 1212 B13R1.33 CCOC(=O)CC(=O)C1CCCO1 Amb2684006 [0,1,0,1,0,0|1,0,1]=4 1213 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 Amb8387836 [0,1,0,1,0,0|1,0,1]=4 1214 B13R1.33 CCOC(=O)CC(N)C1CCCC1 Amb18326765 [0,1,0,1,0,0|0,0,2]=4 1215 B13R1.33 CCOC(=O)C[C@@H](N)C1CCCC1 Amb33308175 [0,1,0,1,0,0|0,0,2]=4 1216 B13R1.33 CCOC(=O)C[C@H](N)C1CCCC1 Amb33254184 [0,1,0,1,0,0|0,0,2]=4 1217 B13R1.33 CCOC(=O)NC(=S)N1CCCC1 Amb2754266 [0,1,0,1,0,0|2,0,0]=4 1218 B13R1.33 CCOC(=O)\C=C(/C)C1OCCO1 Amb28131664 [0,1,0,1,0,0|2,0,0]=4 1219 B13R1.33 CCOC(=O)\C=C(/C)N1CCCC1 Amb9786553 [0,1,0,1,0,0|1,0,0]=3 1220 B13R1.33 CCOC(=O)\C=C(\C)C1CCCC1 Amb33493210 [0,1,0,1,0,0|0,0,0]=2 1221 B13R1.33 CCOC(=O)\C=C(\C)C1CCCO1 Amb33493275 [0,1,0,1,0,0|1,0,0]=3 1222 B13R1.33 CCOC(=O)\C=C(\C)C1CCOC1 Amb33493274 [0,1,0,1,0,0|1,0,0]=3 1223 B13R1.33 CCOC(=O)\C=C(\C)N1CCCC1 Amb2407298 [0,1,0,1,0,0|1,0,0]=3 1224 B13R1.725 CCCCCC(=O)C1CCCC1=O Amb33355376 [0,1,0,1,0,0|1,0,1]=4 1225 B13R1.2570 CCOC(=O)CC1(N)CCCCC1 Amb13949091 [0,1,0,1,0,0|0,0,2]=4 1226 B13R1.2570 CCOC(=O)CC1(N)CCCCC1 Amb2699227 [0,1,0,1,0,0|0,0,2]=4 1227 B13R1.2570 CCOC(=O)CC1(O)CCCCC1 Amb4015386 [0,1,0,1,0,0|0,0,2]=4 1228 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 Amb22002384 [0,1,0,1,0,0|0,0,1]=3 1229 B13R1.2846 CCOC(=O)CC(N)CC1CCC1 Amb33255711 [0,1,0,1,0,0|0,0,2]=4 1230 B13R1.2847 CCOC(=O)CC(N)CCC1CC1 Amb33255317 [0,1,0,1,0,0|0,0,2]=4 1231 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 Amb8832800 [0,1,0,1,0,0|1,0,1]=4 1232 B13R1.4034 CCOC(=O)C=C1CC(OCC)C1 Amb33493320 [0,1,0,1,0,0|1,0,0]=3 1233 B13R1.4453 CCOC(=O)C1=C(C)NCCC1=O Amb22728425 [0,1,0,1,0,0|1,0,1]=4 1234 B13R1.4453 CCOC(=O)C1=C(C)NCCC1C Amb27238735 [0,1,0,1,0,0|1,0,0]=3 1235 B13R1.4453 CCOC(=O)C1C(=O)NCCC1C Amb23451802 [0,1,0,1,0,0|1,0,1]=4 1236 B13R1.4453 CCOC(=O)N1[C@H](C)CCC[C@H]1C Amb28293824 [0,1,0,1,0,0|1,0,1]=4 1237 B13R1.4453 CCOC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1O Amb27184286 [0,1,0,1,0,0|0,0,2]=4 1238 B13R1.4453 CCOC(=O)[C@H]1C(=O)NCC[C@@H]1C Amb27195719 [0,1,0,1,0,0|1,0,1]=4 1239 B13R1.4453 CCOC(=O)[C@H]1[C@@H](C)CCC[C@H]1O Amb28065220 [0,1,0,1,0,0|0,0,2]=4 1240 B13R1.4563 CCOC(=O)CC1(N)CCCC1C Amb33255809 [0,1,0,1,0,0|0,0,2]=4 1241 B13R1.19 CCOC(=O)C=C1CCC(C)CC1 Amb24405769 [0,1,0,1,0,0|0,0,0]=2 1242 B13R1.19 CCOC(=O)C=C1CCC(O)CC1 Amb27948788 [0,1,0,1,0,0|0,0,0]=2 1243 B13R1.19 CCOC(=O)C=C1CCN(C)CC1 Amb25723780 [0,1,0,1,0,0|1,0,0]=3 1244 B13R1.19 CCOC(=O)CC1CCC(C)CC1 Amb33330803 [0,1,0,1,0,0|0,0,2]=4 1245 B13R1.19 CCOC(=O)CC1CCC(F)CC1 Amb34912772 [0,1,0,1,0,0|0,0,2]=4 1246 B13R1.19 CCOC(=O)CC1CCC(I)CC1 Amb28994517 [0,1,0,1,0,0|0,0,2]=4 1247 B13R1.19 CCOC(=O)CC1CCC(N)CC1 Amb3432265 [0,1,0,1,0,0|0,0,2]=4 1248 B13R1.19 CCOC(=O)CC1CCC(O)CC1 Amb28994516 [0,1,0,1,0,0|0,0,2]=4 1249 B13R1.19 CCOC(=O)CN1CCC(C)CC1 Amb7755997 [0,1,0,1,0,0|1,0,1]=4 1250 B13R1.19 CCOC(=O)CN1CCC(N)CC1 Amb1117564 [0,1,0,1,0,0|1,0,1]=4 1251 B13R1.19 CCOC(=O)CN1CCC(O)CC1 Amb7758511 [0,1,0,1,0,0|1,0,1]=4 1252 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 Amb22745881 [0,1,0,1,0,0|0,0,2]=4 1253 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 Amb31289327 [0,1,0,1,0,0|0,0,2]=4 1254 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](O)CC1 Amb32405712 [0,1,0,1,0,0|0,0,2]=4 1255 B13R1.19 CCOC(=O)NC1CCC(C)CC1 Amb27792928 [0,1,0,1,0,0|1,0,1]=4 1256 B13R1.19 CCOC(=O)NC1CCC(N)CC1 Amb9518540 [0,1,0,1,0,0|1,0,1]=4 1257 B13R1.19 CCOC(=O)NC1CCC(O)CC1 Amb6740016 [0,1,0,1,0,0|1,0,1]=4 1258 B13R1.19 CCOC(=O)N[C@H]1CC[C@H](C)CC1 Amb27595020 [0,1,0,1,0,0|1,0,1]=4 1259 B13R1.19 CCOC(=O)N[C@H]1CC[C@H](O)CC1 Amb5721772 [0,1,0,1,0,0|1,0,1]=4 1260 B13R1.19 CCOC(=O)\C=C1\CCC(C)SC1 Amb33493317 [0,1,0,1,0,0|1,0,0]=3 1261 B13R1.19 CONC(=O)C=C1CCC(C)CC1 Amb27661733 [0,1,0,1,0,0|2,0,0]=4 1262 B13R1.1463 CCOC(=O)C1CCCC(N)CC1 Amb33803228 [0,1,0,1,0,0|0,0,2]=4 1263 B13R1.1463 CCOC(=O)N1CCCC(O)CC1 Amb25767600 [0,1,0,1,0,0|1,0,1]=4 1264 B13R1.465 CCOC(=O)C1CCCCC1(C)N Amb33739709 [0,1,0,1,0,0|0,0,2]=4 1265 B13R1.465 CCOC(=O)C1NCCCC1(C)C Amb25135305 [0,1,0,1,0,0|1,0,1]=4 1266 B13R1.692 CCOC(=O)\C=C1/CCOC1(C)C Amb33212524 [0,1,0,1,0,0|1,0,0]=3 1267 B13R1.692 CCOC(=O)\C=C1\CCCC1(C)C Amb25725190 [0,1,0,1,0,0|0,0,0]=2 1268 B13R1.692 CCOC(=O)\C=C1\CCOC1(C)C Amb33468717 [0,1,0,1,0,0|1,0,0]=3 1269 B13R1.1496 CCOC(=O)C#CCC(N)C1CC1 Amb33168762 [0,1,0,1,0,0|0,0,2]=4 1270 B13R1.1496 CCOC(=O)NCCC(O)C1CC1 Amb21941677 [0,1,0,1,0,0|1,0,1]=4 1271 B13R1.1496 CCOC(=O)\C=C\CN(C)C1CC1 Amb33228407 [0,1,0,1,0,0|1,0,0]=3 1272 B13R1.1511 CCOC(=O)C1=C(C)CC(O)CC1 Amb27598563 [0,1,0,1,0,0|0,0,2]=4 1273 B13R1.1511 CCOC(=O)C1=CCC(C)CC1O Amb28281845 [0,1,0,1,0,0|1,0,0]=3 1274 B13R1.1511 CCOC(=O)C1CCC(O)CC1C Amb27946973 [0,1,0,1,0,0|0,0,2]=4 1275 B13R1.1511 CCOC(=O)C1NCC(C)CC1C Amb32794729 [0,1,0,1,0,0|1,0,1]=4 1276 B13R1.1511 CCOC(=O)N1C=CC(O)CC1C Amb28063981 [0,1,0,1,0,0|1,0,1]=4 1277 B13R1.1511 CCOC(=O)N1CCC(N)CC1C Amb28202424 [0,1,0,1,0,0|1,0,1]=4 1278 B13R2.13 O=C1C=C(C2CCCC2)CCC1 Amb28322923 [0,0,0,2,0,0|1,0,0]=3 1279 B13R2.13 O=C1C=C(C2CCCO2)CCC1 Amb27828907 [0,0,0,2,0,0|2,0,0]=4 1280 B13R2.13 O=C1C=C(N2CCCC2)CCC1 Amb28324249 [0,0,0,2,0,0|2,0,0]=4 1281 B13R2.13 O=C1CC(C2CCCC2)CCO1 Amb27438645 [0,0,0,2,0,0|0,0,2]=4 1282 B13R2.3729 O=C1C=C2CCCCCN2CC1 Amb27193061 [0,0,0,2,0,0|2,0,0]=4 1283 B13R2.3729 O=C1C=C2NCCCCC2CC1 Amb27230390 [0,0,0,2,0,0|2,0,0]=4 1284 B13R2.3729 O=C1NC2CCCCCC2CO1 Amb27832446 [0,0,0,2,0,0|1,0,1]=4 1285 B13R2.4818 CC1CCCC2CC=CC(=O)C12 Amb27177883 [0,0,0,2,0,0|1,0,0]=3 1286 B13R2.4818 C[C@H]1CCC[C@H]2CC=CC(=O)[C@H]12 Amb28202084 [0,0,0,2,0,0|1,0,0]=3 1287 B13R2.4820 O=C1CCCC2=C1CCCCC2 Amb28202323 [0,0,0,2,0,0|1,0,0]=3 1288 B13R2.4820 O=C1CCCC2=C1CCCCN2 Amb27402515 [0,0,0,2,0,0|2,0,0]=4 1289 B13R2.4820 O=C1CCCC2CCCCC=C12 Amb28461159 [0,0,0,2,0,0|1,0,0]=3 1290 B13R2.5179 CC1CCCC2=CC(=O)CCC21 Amb17594083 [0,0,0,2,0,0|1,0,0]=3 1291 B13R2.5179 CC1NCCC2=CC(=O)CCC21 Amb28323150 [0,0,0,2,0,0|2,0,0]=4 1292 B13R2.5179 C[C@@H]1CCCC2=CC(=O)CC[C@H]21 Amb27212471 [0,0,0,2,0,0|1,0,0]=3 1293 B13R2.5179 C[C@H]1NCCC2=CC(=O)CC[C@@H]21 Amb27199703 [0,0,0,2,0,0|2,0,0]=4 1294 B13R2.5179 O=C1C=C2CCCC(O)C2CC1 Amb27802507 [0,0,0,2,0,0|2,0,0]=4 1295 B13R2.11128 O=C1CC2(CCCCC2)CCO1 Amb24737335 [0,0,0,2,0,0|0,0,2]=4 1296 B13R2.15 O=C1C=CCC1=C2CCCCC2 Amb28198621 [0,0,0,2,0,0|1,0,1]=4 1297 B13R2.15 O=C1CCCC1=C2CCCCC2 Amb27628853 [0,0,0,2,0,0|1,0,0]=3 1298 B13R2.15 O=C1CCC\C1=C2/CCCCN2 Amb27632385 [0,0,0,2,0,0|2,0,0]=4 1299 B13R2.15 O=C1OCC\C1=C2/CCCCN2 Amb28057564 [0,0,0,2,0,0|1,0,0]=3 1300 B13R2.135 CCC1C(=O)C=C2CCCCC21 Amb27614510 [0,0,0,2,0,0|1,0,0]=3 1301 B13R2.163 O=C1C=C2CCCCC2CCC1 Amb27177506 [0,0,0,2,0,0|1,0,0]=3 1302 B13R2.163 O=C1NCC[C@@H]2CCCC[C@H]2O1 Amb32992735 [0,0,0,2,0,0|1,0,1]=4 1303 B13R2.328 CC1OC(=O)CC2CCCCC21 Amb28251218 [0,0,0,2,0,0|0,0,2]=4 1304 B13R2.328 C[C@@H]1OC(=O)N[C@H]2CCCC[C@@H]21 Amb27818042 [0,0,0,2,0,0|1,0,1]=4 1305 B13R2.444 O=C(C=C1CCCCC1)C2CC2 Amb27587587 [0,0,0,2,0,0|1,0,0]=3 1306 B13R2.444 O=C(C=C1CCOCC1)N2CC2 Amb28043698 [0,0,0,2,0,0|2,0,0]=4 1307 B13R2.820 CCOC(=O)C1C2CCN1CC2 Amb13885833 [0,0,0,2,0,0|1,0,1]=4 1308 B13R2.820 CCOC(=O)N1C2CCC1CC2 Amb24460896 [0,0,0,2,0,0|1,0,1]=4 1309 B13R2.872 CCOC(=O)NC12CCCC1C2 Amb29876073 [0,0,0,2,0,0|1,0,1]=4 1310 B13R2.2229 CCOC(=O)NC1CCC2CC21 Amb27665007 [0,0,0,2,0,0|1,0,1]=4 1311 B13R2.2232 CCOC(=O)NC1CC2CC2C1 Amb27468792 [0,0,0,2,0,0|1,0,1]=4 1312 B13R2.14823 CCOC(=O)C1C2CCCCC21 Amb27178338 [0,0,0,2,0,0|0,0,2]=4 1313 B13R2.29 O=C1CCC\C1=C/C2CCCC2 Amb27256581 [0,0,0,2,0,0|1,0,0]=3 1314 B13R2.461 CCOC(=O)C1OC12CCCC2 Amb25693749 [0,0,0,2,0,0|1,0,1]=4 1315 B13R2.856 CCOC(=O)C1=CC2CCC1O2 Amb31308026 [0,0,0,2,0,0|1,0,0]=3 1316 B13R2.856 CCOC(=O)C1CC2CCC1C2 Amb9273949 [0,0,0,2,0,0|0,0,2]=4 1317 B13R2.856 CCOC(=O)C1NC2CCC1C2 Amb24061101 [0,0,0,2,0,0|1,0,1]=4 1318 B13R2.856 CCOC(=O)C1NC2CCC1C2 Amb32666218 [0,0,0,2,0,0|1,0,1]=4 1319 B13R2.856 CCOC(=O)N1OC2CCC1C2 Amb26560035 [0,0,0,2,0,0|2,0,0]=4 1320 B13R2.856 CCOC(=O)[C@@H]1N[C@@H]2CC[C@H]1C2 Amb27251547 [0,0,0,2,0,0|1,0,1]=4 1321 B13R2.856 CCOC(=O)[C@@H]1N[C@H]2CC[C@@H]1C2 Amb19514348 [0,0,0,2,0,0|1,0,1]=4 1322 B13R2.856 CCOC(=O)[C@@H]1N[C@H]2CC[C@@H]1C2 Amb26966344 [0,0,0,2,0,0|1,0,1]=4 1323 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2CC[C@@H]1C2 Amb34915822 [0,0,0,2,0,0|1,0,1]=4 1324 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Amb17719290 [0,0,0,2,0,0|1,0,1]=4 1325 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 Amb2372530 [0,0,0,2,0,0|1,0,1]=4 1326 B13R2.4666 CC1CC(=O)C=C1N2CCCC2 Amb27802463 [0,0,0,2,0,0|2,0,0]=4 1327 B13R2.5047 CC1CC(=O)C=CC12CCCC2 Amb27176118 [0,0,0,2,0,0|1,0,0]=3 1328 B13R2.5047 CC1CC(=O)C=CC12CCCO2 Amb27828910 [0,0,0,2,0,0|2,0,0]=4 1329 B13R2.34 CC12CCCCC1C=CC(=O)C2 Amb27854946 [0,0,0,2,0,0|1,0,0]=3 1330 B13R2.34 C[C@]12CCCC[C@H]1C=CC(=O)C2 Amb27493465 [0,0,0,2,0,0|1,0,0]=3 1331 B13R2.3742 CC1NCC2C1=CC(=O)OC2C Amb27951628 [0,0,0,2,0,0|1,0,0]=3 1332 B13R2.390 O=C1C=CC2CCCCC(O)C12 Amb27750347 [0,0,0,2,0,0|2,0,0]=4 1333 B13R2.390 O=C1C=C[C@@H]2CCCC[C@H](O)[C@H]12 Amb27854630 [0,0,0,2,0,0|2,0,0]=4 1334 B13R2.4023 O=C1CC(O)C2=C1CCCCC2 Amb17594132 [0,0,0,2,0,0|2,0,0]=4 1335 B13R2.4023 O=C1OC(=O)C2=C1CCCCC2 Amb22364776 [0,0,0,2,0,0|1,0,1]=4 1336 B13R2.4746 C[C@@]12CCCCCC1=CC(=O)C2 Amb27599501 [0,0,0,2,0,0|1,0,0]=3 1337 B13R2.383 CC1CCC=CC2=C1COC2=O Amb27390720 [0,0,0,2,0,0|0,0,2]=4 1338 B13R2.3038 C[C@]12CCCC=C1C(=O)CCC2 Amb28253987 [0,0,0,2,0,0|1,0,0]=3 1339 B13R2.3040 C[C@@H]1CCCC(=O)C2=CCC[C@@H]21 Amb27432591 [0,0,0,2,0,0|1,0,0]=3 1340 B13R2.33 O=C1C=C[C@H]2CCCC[C@@H]2OC1 Amb28052606 [0,0,0,2,0,0|2,0,0]=4 1341 B13R2.3672 O=C1OCC2=C1CCCCCC2 Amb28255592 [0,0,0,2,0,0|0,0,2]=4 1342 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [0,0,0,2,0,0|1,0,0]=3 1343 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [0,0,0,2,0,0|1,0,1]=4 1344 B13R2.5252 O=C1C=CCCC2CCCC=C12 Amb27434283 [0,0,0,2,0,0|1,0,1]=4 1345 B13R2.5252 O=C1C=CCCC2CCCCC12 Amb28253747 [0,0,0,2,0,0|1,0,0]=3 1346 B13R2.796 CCOC(=O)C12CC1CCCN2 Amb20668013 [0,0,0,2,0,0|1,0,1]=4 1347 B13R2.796 CCOC(=O)C12CCCCC1C2 Amb34160329 [0,0,0,2,0,0|0,0,2]=4 1348 B13R2.796 CCOC(=O)C12CCCCC1N2 Amb33745659 [0,0,0,2,0,0|1,0,1]=4 1349 B13R2.796 CCOC(=O)[C@@]12C[C@@H]1CCCN2 Amb32723969 [0,0,0,2,0,0|1,0,1]=4 1350 B13R2.12120 CC12CCCC=C1C(=O)OC2=O Amb17678757 [0,0,0,2,0,0|1,0,1]=4 1351 B13R2.12120 C[C@@H]1CC(=O)C2=CCCC[C@]21C Amb28052242 [0,0,0,2,0,0|1,0,0]=3 1352 B13R2.14791 CCOC(=O)C1CCCC2CC21 Amb30007954 [0,0,0,2,0,0|0,0,2]=4 1353 B13R2.835 CCOC(=O)C#CC1CC12CC2 Amb33168673 [0,0,0,2,0,0|0,0,2]=4 1354 B13R2.844 CCOC(=O)C1CCC2CC2C1 Amb35685566 [0,0,0,2,0,0|0,0,2]=4 1355 B13R2.844 CCOC(=O)N1CCC2CC2C1 Amb29855657 [0,0,0,2,0,0|1,0,1]=4 1356 B13R2.799 CCOC(=O)C1OC12CCC2C Amb25726682 [0,0,0,2,0,0|1,0,1]=4 1357 B13R2.816 CCOC(=O)N1CCC2CCC21 Amb27816405 [0,0,0,2,0,0|1,0,1]=4 1358 B13R2.816 CCOC(=O)N1CC[C@H]2CC[C@H]21 Amb25982706 [0,0,0,2,0,0|1,0,1]=4 1359 B13R2.14854 CCOC(=O)C1NCC12CCC2 Amb33732542 [0,0,0,2,0,0|1,0,1]=4 1360 B13R2.181 CC1CCCN1C2CCOC2=O Amb27806048 [0,0,0,2,0,0|1,0,1]=4 1361 B13R2.13020 CC12CC(=O)C=C1CCCC2O Amb27177642 [0,0,0,2,0,0|2,0,0]=4 1362 B13R2.13020 C[C@@H]1CCCC2=CC(=O)C[C@]21C Amb27859365 [0,0,0,2,0,0|1,0,0]=3 1363 B13R2.13020 C[C@H]1CCCC2=CC(=O)C[C@@]21C Amb27467778 [0,0,0,2,0,0|1,0,0]=3 1364 B13R2.13020 C[C@]12CC(=O)C=C1CCC[C@@H]2O Amb27854643 [0,0,0,2,0,0|2,0,0]=4 1365 B13R2.2283 O=C(C1=CCCCCC1)C2CC2 Amb18800842 [0,0,0,2,0,0|1,0,0]=3