0 B13R1.190 CCCCC#C[C@@H]1OC(=O)C[C@@H]1O Amb28350317 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.190 CCCCCCC1CC(=O)OC1=O Amb33756887 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.190 CCCCCCC1OC(=O)CC1C Amb22001856 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.7 CCCC#CCC1CCC(=O)O1 Amb22172847 [1,0,0,0,0,0|0,0,2]=3 4 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.7 CCCCCCC1OCC(C)O1 Amb9787442 [1,0,0,0,0,0|2,0,1]=4 6 B12R0.1 CCCC(=O)NCCNCCOC Amb32644963 [0,0,1,0,0,0|3,0,0]=4 7 B12R0.1 CCCCCCCCC(=O)OCC Amb8515442 [0,0,1,0,0,0|2,0,0]=3 8 B12R0.1 CCCCCCCCC(=O)OCCl Amb32414071 [0,0,1,0,0,0|3,0,0]=4 9 B12R0.1 CCCCCCCCC(O)CCC Amb9787107 [0,0,1,0,0,0|1,0,2]=4 10 B12R0.1 CCCCCCCNC(=O)CC#N Amb1225538 [0,0,1,0,0,0|2,0,1]=4 11 B12R0.1 CCCCCCCNC(=O)CCCl Amb3365413 [0,0,1,0,0,0|2,0,0]=3 12 B12R0.1 CCCCCCCNC(=O)CNC Amb20141923 [0,0,1,0,0,0|2,0,0]=3 13 B12R0.1 CCCCCNCCC(=O)OCC Amb9024160 [0,0,1,0,0,0|3,0,0]=4 14 B12R0.1 CCCCOCCOC(=O)CC#N Amb17210531 [0,0,1,0,0,0|2,0,1]=4 15 B12R0.1 CCCCOCCOC(=O)CCC Amb9787610 [0,0,1,0,0,0|1,0,0]=2 16 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [0,0,1,0,0,0|1,0,0]=2 17 B12R0.1 CCCNCCCOC(=O)COC Amb18928632 [0,0,1,0,0,0|2,0,0]=3 18 B12R0.1 CCOC(=O)CCCCCCCBr Amb10604167 [0,0,1,0,0,0|3,0,0]=4 19 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,0,1,0,0,0|3,0,0]=4 20 B12R0.1 CCOC(=O)CCCCCCCI Amb32410617 [0,0,1,0,0,0|3,0,0]=4 21 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,0,1,0,0,0|3,0,0]=4 22 B12R0.1 CCOC(=O)CCCCCCCN Amb33309141 [0,0,1,0,0,0|3,0,0]=4 23 B12R0.1 CCOC(=O)CCCCCCCO Amb32662870 [0,0,1,0,0,0|3,0,0]=4 24 B12R0.1 CCOCCCCNC(=O)CCBr Amb17333163 [0,0,1,0,0,0|3,0,0]=4 25 B12R0.1 CCOCCCCNC(=O)CCCl Amb17331760 [0,0,1,0,0,0|3,0,0]=4 26 B12R0.4 CCCCCCCC(=O)CC(C)=O Amb19068864 [0,0,1,0,0,0|2,0,1]=4 27 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [0,0,1,0,0,0|2,0,0]=3 28 B12R0.4 CCCCCCCC(N)CC(=O)O Amb32666363 [0,0,1,0,0,0|1,0,0]=2 29 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33141063 [0,0,1,0,0,0|1,0,0]=2 30 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33533164 [0,0,1,0,0,0|1,0,0]=2 31 B12R0.4 CCCCCCCC(N)CC(N)=O Amb33253906 [0,0,1,0,0,0|2,0,0]=3 32 B12R0.4 CCCCCCCC(O)CC(=O)O Amb19071697 [0,0,1,0,0,0|1,0,0]=2 33 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172824 [0,0,1,0,0,0|1,0,0]=2 34 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172825 [0,0,1,0,0,0|1,0,0]=2 35 B12R0.4 CCCCCCC[C@H](O)CC(=O)O Amb33620732 [0,0,1,0,0,0|1,0,0]=2 36 B12R0.4 CCCCCCOC(C)NC(C)=O Amb24096324 [0,0,1,0,0,0|3,0,0]=4 37 B12R0.202 CCCCCCC(CC)OC(C)=O Amb30867684 [0,0,1,0,0,0|0,0,0]=1 38 B14R2.169 CCC1CCCC12CC(=O)NC2C Amb28366894 [0,0,0,1,0,0|2,0,0]=3 39 B14R2.169 CCC1CCCC12NC(=O)CC2=O Amb35708159 [0,0,0,1,0,0|2,0,1]=4 40 B14R2.169 CCC1COCC12CC(=O)NC2C Amb35635816 [0,0,0,1,0,0|3,0,0]=4 41 B14R2.295 CC1CCCCC12CC(=O)NC2C Amb27177007 [0,0,0,1,0,0|2,0,0]=3 42 B14R2.295 CC1CCCCC12NC(=O)CC2=O Amb35711713 [0,0,0,1,0,0|2,0,1]=4 43 B14R2.295 CC1CCCCC12OC(=O)NC2=O Amb28323214 [0,0,0,1,0,0|2,0,1]=4 44 B14R2.598 CC1NC(=O)CC1C2CCCCO2 Amb35742125 [0,0,0,1,0,0|3,0,0]=4 45 B14R2.598 CC1NC(=O)CC1C2CCCOC2 Amb27177005 [0,0,0,1,0,0|3,0,0]=4 46 B14R2.598 CC1NC(=O)CC1C2CCOCC2 Amb27871129 [0,0,0,1,0,0|3,0,0]=4 47 B14R2.598 CC1NC(=O)OC1C2CCCCC2 Amb27832550 [0,0,0,1,0,0|1,0,0]=2 48 B14R2.598 CN1CC(=O)NC1C2CCCCC2 Amb27605224 [0,0,0,1,0,0|2,0,0]=3 49 B14R2.598 C[C@H]1NC(=N)O[C@H]1C2CCCCC2 Amb27978385 [0,0,0,1,0,0|2,0,0]=3 50 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2CCCCC2 Amb27841214 [0,0,0,1,0,0|1,0,0]=2 51 B14R2.598 NC1=NC(=O)OC1C2CCCCC2 Amb27231350 [0,0,0,1,0,0|2,0,1]=4 52 B14R2.4458 O=C1CC(=O)C(CC2CCCC2)N1 Amb35708173 [0,0,0,1,0,0|2,0,1]=4 53 B14R2.4458 O=C1NC(=O)C(CC2CCCC2)O1 Amb28386116 [0,0,0,1,0,0|2,0,1]=4 54 B14R2.6138 CC1NC(=O)CC12CCCCCC2 Amb27800690 [0,0,0,1,0,0|2,0,0]=3 55 B14R2.6138 CC1NC(=O)CC12CCCOCC2 Amb27177006 [0,0,0,1,0,0|3,0,0]=4 56 B14R2.6138 CC1NC(=O)CC12CCCSCC2 Amb35610983 [0,0,0,1,0,0|3,0,0]=4 57 B14R2.6138 CN1CC(=O)NC12CCCCCC2 Amb27396685 [0,0,0,1,0,0|2,0,0]=3 58 B14R2.6138 O=C1CC(=O)C2(CCCCCC2)N1 Amb26377063 [0,0,0,1,0,0|2,0,1]=4 59 B14R2.7766 CC12CCCCCCC1CC(=O)O2 Amb28388805 [0,0,0,1,0,0|2,0,0]=3 60 B14R2.10527 CCCCC1C[C@H]2OC(O)C[C@H]2O1 Amb27980629 [0,0,0,1,0,0|1,0,2]=4 61 B14R2.32290 CC1C2CCC(CC=O)N1C(=O)O2 Amb28285877 [0,0,0,1,0,0|2,0,1]=4 62 B14R2.32290 CC1C2CCC(CCO)N1C(=O)O2 Amb27179509 [0,0,0,1,0,0|2,0,0]=3 63 B14R2.32290 C[C@H]1[C@@H]2CC[C@@H](CCO)N1C(=O)O2 Amb28065230 [0,0,0,1,0,0|2,0,0]=3 64 B14R1.443 CCCCCCC1CC(=O)C=C(C)C1 Amb20621618 [0,0,0,0,0,1|1,0,2]=4 65 B11R0.3 CCCCCCCCCCCC Amb8513157 [1,0,1,0,0,0|1,0,1]=4 66 B11R0.3 CCCCCCCNCCCC Amb4313708 [1,0,1,0,0,0|1,0,1]=4 67 B11R0.3 CCCCOCCOCCCC Amb22168138 [1,0,1,0,0,0|1,0,1]=4 68 B11R0.4 CCCC(=O)NCCCCCN Amb18618681 [1,0,1,0,0,0|2,0,0]=4 69 B11R0.4 CCCC(=O)OCCOCCCl Amb9787605 [1,0,1,0,0,0|2,0,0]=4 70 B11R0.4 CCCCCCCC(=O)OCC Amb6608755 [1,0,1,0,0,0|1,0,0]=3 71 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,0,1,0,0,0|0,0,2]=4 72 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [1,0,1,0,0,0|1,0,0]=3 73 B11R0.4 CCCCCCNC(=O)CCCl Amb8859151 [1,0,1,0,0,0|2,0,0]=4 74 B11R0.4 CCCCCCNC(=O)CNC Amb9258707 [1,0,1,0,0,0|2,0,0]=4 75 B11R0.4 CCCCCCOC(=O)CC#N Amb17210535 [1,0,1,0,0,0|1,0,1]=4 76 B11R0.4 CCCCCCOC(=O)OCCl Amb32413740 [1,0,1,0,0,0|2,0,0]=4 77 B11R0.4 CCCCNCCC(=O)OCC Amb9024194 [1,0,1,0,0,0|2,0,0]=4 78 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [1,0,1,0,0,0|2,0,0]=4 79 B11R0.4 CCOC(=O)CCCCCCBr Amb2778976 [1,0,1,0,0,0|2,0,0]=4 80 B11R0.4 CCOC(=O)CCCCCCI Amb32410628 [1,0,1,0,0,0|2,0,0]=4 81 B11R0.4 CCOC(=O)CCCCCCN Amb7772452 [1,0,1,0,0,0|2,0,0]=4 82 B11R0.4 CCOC(=O)CCCCCCN Amb8396796 [1,0,1,0,0,0|2,0,0]=4 83 B11R0.4 CCOC(=O)CCCCCNC Amb32666565 [1,0,1,0,0,0|2,0,0]=4 84 B11R0.4 CCOC(=O)CCCCCNC Amb32666566 [1,0,1,0,0,0|2,0,0]=4 85 B11R0.4 CC\C=C/CCOC(=O)CCC Amb22002436 [1,0,1,0,0,0|0,0,2]=4 86 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [1,0,1,0,0,0|1,0,0]=3 87 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [1,0,1,0,0,0|2,0,0]=4 88 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [1,0,1,0,0,0|2,0,0]=4 89 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [1,0,1,0,0,0|2,0,0]=4 90 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [1,0,1,0,0,0|2,0,0]=4 91 B11R0.40 CCCCCCCOC(=O)CC Amb9787227 [1,0,1,0,0,0|0,0,0]=2 92 B11R0.40 CCCCCCCOC(=O)CCl Amb9787570 [1,0,1,0,0,0|1,0,0]=3 93 B11R0.40 CCCCCCCOC(=O)CS Amb9786410 [1,0,1,0,0,0|1,0,0]=3 94 B11R0.40 CCCNCCCOC(=O)CC Amb18263176 [1,0,1,0,0,0|1,0,0]=3 95 B11R0.2 CCCCCCC(C)CC(=O)O Amb4001745 [1,0,1,0,0,0|0,0,0]=2 96 B11R0.2 CCCCCCC(C)OC(=O)Cl Amb24061311 [1,0,1,0,0,0|1,0,0]=3 97 B11R0.2 CCCCCCC(N)CC(=O)O Amb2229636 [1,0,1,0,0,0|1,0,0]=3 98 B11R0.2 CCCCCCC(N)CC(=O)O Amb31307615 [1,0,1,0,0,0|1,0,0]=3 99 B11R0.2 CCCCCCC(N)CC(N)=O Amb32787662 [1,0,1,0,0,0|2,0,0]=4 100 B11R0.2 CCCCCCC(O)CC(=O)O Amb18803982 [1,0,1,0,0,0|1,0,0]=3 101 B11R0.2 CCCCCCN(C)CC(=O)O Amb33552686 [1,0,1,0,0,0|1,0,0]=3 102 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [1,0,1,0,0,0|0,0,2]=4 103 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [1,0,1,0,0,0|2,0,0]=4 104 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [1,0,1,0,0,0|2,0,0]=4 105 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [1,0,1,0,0,0|2,0,0]=4 106 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [1,0,1,0,0,0|0,0,2]=4 107 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,0,1,0,0,0|1,0,0]=3 108 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,0,1,0,0,0|0,0,0]=2 109 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,0,1,0,0,0|1,0,0]=3 110 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,0,1,0,0,0|1,0,0]=3 111 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [1,0,1,0,0,0|1,1,0]=4 112 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [1,0,1,0,0,0|2,0,0]=4 113 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [1,0,1,0,0,0|1,0,1]=4 114 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [1,0,1,0,0,0|2,0,0]=4 115 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,0,1,0,0,0|2,0,0]=4 116 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [1,0,1,0,0,0|2,0,0]=4 117 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,0,1,0,0,0|2,0,0]=4 118 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,0,1,0,0,0|1,0,0]=3 119 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,0,1,0,0,0|1,0,0]=3 120 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [1,0,1,0,0,0|0,0,2]=4 121 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,0,1,0,0,0|1,0,0]=3 122 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [1,0,1,0,0,0|0,0,2]=4 123 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [1,0,1,0,0,0|2,0,0]=4 124 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,0,1,0,0,0|1,0,0]=3 125 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [1,0,1,0,0,0|0,0,2]=4 126 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [1,0,1,0,0,0|2,0,0]=4 127 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [1,0,1,0,0,0|2,0,0]=4 128 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [1,0,1,0,0,0|2,0,0]=4 129 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [1,0,1,0,0,0|2,0,0]=4 130 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [1,0,1,0,0,0|2,0,0]=4 131 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,0,1,0,0,0|2,0,0]=4 132 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,0,1,0,0,0|1,0,0]=3 133 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,0,1,0,0,0|1,0,0]=3 134 B11R0.142 CCCCCCC(O)C(C)CN Amb32693161 [1,0,1,0,0,0|1,0,0]=3 135 B11R0.142 C\C=C(/C)C(O)CCCCCC Amb22546641 [1,0,1,0,0,0|1,0,1]=4 136 B11R0.161 CCCCCCC(CC)CNC Amb18807285 [1,0,1,0,0,0|2,0,0]=4 137 B11R0.161 CCCCCCC(CC)CNC Amb28555729 [1,0,1,0,0,0|2,0,0]=4 138 B11R0.161 CCCCCCC(CN)OCC Amb33034865 [1,0,1,0,0,0|1,0,1]=4 139 B11R0.76 CCCCCCC(CBr)C(C)C Amb32688786 [1,0,1,0,0,0|1,0,1]=4 140 B11R0.76 CCCCCCC(CCl)C(C)C Amb32688868 [1,0,1,0,0,0|1,0,1]=4 141 B11R1.4 BrCCCCCC1CCCO1 Amb32688248 [2,0,0,0,0,0|1,0,1]=4 142 B11R1.4 CCCCCCC1CCCN1 Amb2235790 [2,0,0,0,0,0|1,0,1]=4 143 B11R1.4 CCCCCCC1CCCO1 Amb10558596 [2,0,0,0,0,0|0,0,1]=3 144 B11R1.4 CCCCNCC1CCCO1 Amb4313709 [2,0,0,0,0,0|1,0,1]=4 145 B11R1.4 ClCCCCCC1CCCO1 Amb32688218 [2,0,0,0,0,0|1,0,1]=4 146 B11R1.27 CCCCCC1=CC(=O)CC1 Amb27987060 [2,0,0,0,0,0|1,0,1]=4 147 B11R1.27 CCCCCC1=CCC(=O)O1 Amb26998895 [2,0,0,0,0,0|0,0,2]=4 148 B11R1.27 CCCCCC1C=CC(=O)O1 Amb24766300 [2,0,0,0,0,0|0,0,2]=4 149 B11R1.27 CCCCCC1CCC(=O)O1 Amb569744 [2,0,0,0,0,0|0,0,0]=2 150 B11R1.27 CCCCCC1CN=C(N)O1 Amb27987869 [2,0,0,0,0,0|2,0,0]=4 151 B11R1.27 CCCCCC1CNC(=O)O1 Amb27987874 [2,0,0,0,0,0|1,0,0]=3 152 B11R1.27 CCCCC[C@@H]1CCC(=O)C1 Amb27673726 [2,0,0,0,0,0|1,0,0]=3 153 B11R1.27 CCCCC[C@H]1CCC(=O)C1 Amb28080151 [2,0,0,0,0,0|1,0,0]=3 154 B11R1.27 CCCCC[C@H]1CCC(=O)N1 Amb28080184 [2,0,0,0,0,0|1,0,0]=3 155 B11R1.27 CCCCC[C@H]1CCC(=O)O1 Amb22348365 [2,0,0,0,0,0|0,0,0]=2 156 B11R1.27 CCCNCC1CCC(=O)N1 Amb25382477 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.27 CCCNCC1CNC(=O)O1 Amb28352094 [2,0,0,0,0,0|2,0,0]=4 158 B11R1.27 CCCOCC1CCC(=O)C1 Amb27987809 [2,0,0,0,0,0|2,0,0]=4 159 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 Amb27673440 [2,0,0,0,0,0|2,0,0]=4 160 B11R1.27 NCCCCC1CCC(=O)O1 Amb27671667 [2,0,0,0,0,0|1,0,0]=3 161 B11R1.27 O=C1CCC(CCCCBr)C1 Amb27673519 [2,0,0,0,0,0|2,0,0]=4 162 B11R1.27 O=C1CCC(CCCCCl)C1 Amb27990027 [2,0,0,0,0,0|2,0,0]=4 163 B11R1.27 O=C1CCC(CCCCO)C1 Amb28080310 [2,0,0,0,0,0|2,0,0]=4 164 B11R1.180 CCCCCC1OCCC1N Amb27271299 [2,0,0,0,0,0|1,0,1]=4 165 B11R1.180 CCCCCC1OCCC1O Amb27673890 [2,0,0,0,0,0|1,0,1]=4 166 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [2,0,0,0,0,0|1,0,1]=4 167 B11R1.180 CCCNCC1OCCC1C Amb27269992 [2,0,0,0,0,0|1,0,1]=4 168 B11R1.230 CCCCC1CC(=O)CC1O Amb27434202 [2,0,0,0,0,0|2,0,0]=4 169 B11R1.230 CCCCC1OC(=O)CC1C Amb15692528 [2,0,0,0,0,0|0,0,0]=2 170 B11R1.230 CCCCC1OC(=O)CC1O Amb27405206 [2,0,0,0,0,0|1,0,0]=3 171 B11R1.230 CCCCC1OC(O)CC1C Amb27661315 [2,0,0,0,0,0|0,0,2]=4 172 B11R1.230 CCCC[C@@H]1CC(=O)N[C@@H]1C Amb27203377 [2,0,0,0,0,0|2,0,0]=4 173 B11R1.230 CCCC[C@@H]1CC(=O)N[C@H]1C Amb27852427 [2,0,0,0,0,0|2,0,0]=4 174 B11R1.230 CCCC[C@@H]1NC(=N)C[C@H]1C Amb28196678 [2,0,0,0,0,0|2,0,0]=4 175 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1O Amb27472606 [2,0,0,0,0,0|1,0,0]=3 176 B11R1.230 CCCC[C@H]1NC(=O)O[C@@H]1C Amb27805409 [2,0,0,0,0,0|2,0,0]=4 177 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C Amb27234681 [2,0,0,0,0,0|0,0,0]=2 178 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1O Amb27969128 [2,0,0,0,0,0|1,0,0]=3 179 B11R1.230 NC1CC(=O)OC1CCCBr Amb28066067 [2,0,0,0,0,0|2,0,0]=4 180 B13R0.2 CCCCCCCCCC(=O)CCC Amb9031610 [0,1,1,0,0,0|1,0,0]=3 181 B13R0.2 CCCCCCCCNC(=O)CCCl Amb17327381 [0,1,1,0,0,0|2,0,0]=4 182 B13R0.2 CCCCCCCCNC(=O)CNC Amb24115165 [0,1,1,0,0,0|2,0,0]=4 183 B13R0.2 CCCCCCCCOC(=O)CC#N Amb16232993 [0,1,1,0,0,0|1,0,1]=4 184 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,1,1,0,0,0|2,0,0]=4 185 B13R0.2 CCCCOCCCNC(=O)CCBr Amb17326501 [0,1,1,0,0,0|2,0,0]=4 186 B13R0.2 CCCCOCCCNC(=O)CCCl Amb17329188 [0,1,1,0,0,0|2,0,0]=4 187 B13R0.2 CCCCOCCCNC(=O)CNC Amb24115104 [0,1,1,0,0,0|2,0,0]=4 188 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,1,1,0,0,0|2,0,0]=4 189 B13R0.66 CCCCC(=O)OCCCNCCC Amb18928650 [0,1,1,0,0,0|1,0,0]=3 190 B13R0.66 CCCCCCCCS(=O)CCCCl Amb22731437 [0,1,1,0,0,0|2,0,0]=4 191 B13R0.66 CCCCCCCNC(=O)CCCCl Amb17323882 [0,1,1,0,0,0|1,0,0]=3 192 B13R0.88 CC(C)CCCCCOC(=O)CCS Amb22362637 [0,1,1,0,0,0|1,0,0]=3 193 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [0,1,1,0,0,0|2,0,0]=4 194 B13R0.330 CCCCCCC(C)NC(=O)CCCl Amb9566223 [0,1,1,0,0,0|2,0,0]=4 195 B13R0.330 CCCCCCC(C)OC(=O)CC#N Amb10603629 [0,1,1,0,0,0|1,0,1]=4 196 B13R0.335 CCCCCCCOC(=O)CC(C)=O Amb9787148 [0,1,1,0,0,0|0,0,1]=3 197 B13R0.335 CCCNCCCOC(=O)CC(C)C Amb18928646 [0,1,1,0,0,0|1,0,0]=3 198 B13R0.62 CCCCCCCC(CC)CC(=O)O Amb32412880 [0,1,1,0,0,0|0,0,0]=2 199 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [0,1,1,0,0,0|1,0,1]=4 200 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC Amb17615271 [0,1,1,0,0,0|1,0,0]=3 201 B13R0.274 CCCCCCC\C(C)=C\C(=O)OC Amb33472149 [0,1,1,0,0,0|0,0,2]=4 202 B13R0.274 CCCCCCNC(C)CC(=O)OC Amb20673380 [0,1,1,0,0,0|1,0,0]=3 203 B13R0.274 CCOCCCNC(C)CC(=O)OC Amb9398643 [0,1,1,0,0,0|2,0,0]=4 204 B13R1.128 CC(C)CCNCC1CCC(=O)N1 Amb33230933 [1,1,0,0,0,0|2,0,0]=4 205 B13R1.717 CCC(C)CNCC1CCC(=O)N1 Amb33230957 [1,1,0,0,0,0|2,0,0]=4 206 B13R1.3441 CCCCCCC1CCS(=O)(=O)N1 Amb32992191 [1,1,0,0,0,0|2,0,0]=4 207 B13R1.3688 CC\C=C/CCC1(C)CCC(=O)O1 Amb22734350 [1,1,0,0,0,0|0,0,2]=4 208 B13R1.654 CCCCCCNC1CCCC1C Amb33496265 [1,1,0,0,0,0|1,0,1]=4 209 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,0,1,1,0,0|0,0,0]=2 210 B13R1.6 CCCCNCC1CCCC(=O)N1 Amb32721277 [0,0,1,1,0,0|2,0,0]=4 211 B13R1.42 CCCC(=O)NCC1CCCNC1 Amb9713279 [0,0,1,1,0,0|2,0,0]=4 212 B13R1.42 CCCC(=O)OCC1CNCCN1 Amb24084940 [0,0,1,1,0,0|2,0,0]=4 213 B13R1.42 CCNC(=O)OCC1CCCCN1 Amb32652630 [0,0,1,1,0,0|2,0,0]=4 214 B13R1.42 CCNC(=O)OCC1CCCCN1 Amb32652631 [0,0,1,1,0,0|2,0,0]=4 215 B13R1.42 CCOC(=O)CCC1CCCCC1 Amb4007386 [0,0,1,1,0,0|2,0,0]=4 216 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,0,1,1,0,0|1,0,0]=3 217 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,0,1,1,0,0|1,0,0]=3 218 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,0,1,1,0,0|2,0,0]=4 219 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,0,1,1,0,0|2,0,0]=4 220 B13R1.404 CCCC(=O)NCCC1CCNC1 Amb33072340 [0,0,1,1,0,0|2,0,0]=4 221 B13R1.463 CCCC(=N)N1CCCCCC1C Amb27252139 [0,0,1,1,0,0|2,0,0]=4 222 B13R1.463 CCCC(=O)C1CCCCCC1C Amb35725702 [0,0,1,1,0,0|1,0,0]=3 223 B13R1.463 CCCC(=O)N1CCCOCC1C Amb27188021 [0,0,1,1,0,0|2,0,0]=4 224 B13R1.463 CCOC(=O)N1CCCCCC1C Amb28366124 [0,0,1,1,0,0|2,0,0]=4 225 B13R1.464 CCC1CCCCN1C(=O)CCBr Amb17332271 [0,0,1,1,0,0|2,0,0]=4 226 B13R1.464 CCC1CCCCN1C(=O)CCCl Amb8893901 [0,0,1,1,0,0|2,0,0]=4 227 B13R1.464 CCC1CCCCN1C(=O)CCN Amb13952363 [0,0,1,1,0,0|2,0,0]=4 228 B13R1.464 CCC1CCCCN1C(=O)CCN Amb8893908 [0,0,1,1,0,0|2,0,0]=4 229 B13R1.464 CCCC(=O)N1CCCCC1CO Amb9278820 [0,0,1,1,0,0|2,0,0]=4 230 B13R1.464 CCNC(=O)C1CCCCC1CC Amb27794652 [0,0,1,1,0,0|2,0,0]=4 231 B13R1.470 CC1CCCCC1NC(=O)CCBr Amb17322868 [0,0,1,1,0,0|2,0,0]=4 232 B13R1.470 CC1CCCCC1NC(=O)CCCl Amb1137081 [0,0,1,1,0,0|2,0,0]=4 233 B13R1.470 CC1CCCCC1NC(=O)CCN Amb1140000 [0,0,1,1,0,0|2,0,0]=4 234 B13R1.470 CCCC(=O)NC1CCCCC1C Amb13958262 [0,0,1,1,0,0|1,0,0]=3 235 B13R1.470 CCCC(=O)NC1CCCCC1N Amb18975240 [0,0,1,1,0,0|2,0,0]=4 236 B13R1.470 CCCC(=O)NC1CCCCC1O Amb19069384 [0,0,1,1,0,0|2,0,0]=4 237 B13R1.470 CCCC(=O)NC1CCNCC1C Amb27748718 [0,0,1,1,0,0|2,0,0]=4 238 B13R1.470 CCCC(=O)NC1CNCCC1C Amb27179041 [0,0,1,1,0,0|2,0,0]=4 239 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1O Amb28290036 [0,0,1,1,0,0|2,0,0]=4 240 B13R1.470 CCNC(=O)OC1CCCCC1O Amb27602253 [0,0,1,1,0,0|2,0,0]=4 241 B13R1.470 CCNC(=O)OC1CNCCC1C Amb27454488 [0,0,1,1,0,0|2,0,0]=4 242 B13R1.470 CCNC(=O)O[C@@H]1CCCC[C@H]1O Amb27964210 [0,0,1,1,0,0|2,0,0]=4 243 B13R1.470 CCNC(=O)O[C@H]1CCCC[C@H]1O Amb27236888 [0,0,1,1,0,0|2,0,0]=4 244 B13R1.470 CNCC(=O)NC1CCCCC1C Amb6260128 [0,0,1,1,0,0|2,0,0]=4 245 B13R1.470 CSCC(=O)NC1CCCCC1C Amb8274361 [0,0,1,1,0,0|2,0,0]=4 246 B13R1.1464 CCCC(=O)N1CCCCCCC1 Amb2125376 [0,0,1,1,0,0|1,0,0]=3 247 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [0,0,1,1,0,0|2,0,0]=4 248 B13R1.1464 COCC(=O)N1CCCCCCC1 Amb8337608 [0,0,1,1,0,0|2,0,0]=4 249 B13R1.1464 NCCC(=O)N1CCCCCCC1 Amb6750267 [0,0,1,1,0,0|2,0,0]=4 250 B13R1.1464 O=C(CCCl)N1CCCCCCC1 Amb2125620 [0,0,1,1,0,0|2,0,0]=4 251 B13R1.1575 CCCC(=O)NC1CCCOCC1 Amb28398813 [0,0,1,1,0,0|2,0,0]=4 252 B13R1.1575 CCCC(=O)NC1CCCSCC1 Amb35691524 [0,0,1,1,0,0|2,0,0]=4 253 B13R1.1575 CCNC(=O)NC1CCCCCC1 Amb27765440 [0,0,1,1,0,0|2,0,0]=4 254 B13R1.1575 CCNC(=O)OC1CCCNCC1 Amb35723384 [0,0,1,1,0,0|2,0,0]=4 255 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [0,0,1,1,0,0|2,0,0]=4 256 B13R1.1575 CCOC(=O)NC1CCCCCC1 Amb6874631 [0,0,1,1,0,0|2,0,0]=4 257 B13R1.1575 CNCC(=O)NC1CCCCCC1 Amb8997964 [0,0,1,1,0,0|2,0,0]=4 258 B13R1.1575 COCC(=O)NC1CCCCCC1 Amb6569370 [0,0,1,1,0,0|2,0,0]=4 259 B13R1.1575 CSCC(=O)NC1CCCCCC1 Amb8274359 [0,0,1,1,0,0|2,0,0]=4 260 B13R1.1575 NCCC(=O)NC1CCCCCC1 Amb5785071 [0,0,1,1,0,0|2,0,0]=4 261 B13R1.1575 O=C(CCBr)NC1CCCCCC1 Amb17329724 [0,0,1,1,0,0|2,0,0]=4 262 B13R1.1575 O=C(CCCl)NC1CCCCCC1 Amb8999213 [0,0,1,1,0,0|2,0,0]=4 263 B13R1.1575 O=C(CCO)NC1CCCCCC1 Amb17335767 [0,0,1,1,0,0|2,0,0]=4 264 B13R1.1575 O=C(CCS)NC1CCCCCC1 Amb28398896 [0,0,1,1,0,0|2,0,0]=4 265 B13R1.3151 CCCNCCCOC(=O)C1CC1 Amb18928647 [0,0,1,1,0,0|1,0,0]=3 266 B13R1.88 CCC1CCCCC1(N)CC(=O)O Amb24415698 [0,0,1,1,0,0|1,0,0]=3 267 B13R1.88 CCC1CCCCC1(N)CC(N)=O Amb32787664 [0,0,1,1,0,0|2,0,0]=4 268 B13R1.88 COC1CCCCC1(N)CC(=O)O Amb25141215 [0,0,1,1,0,0|2,0,0]=4 269 B13R1.201 CC(=O)CC(C)N1CCCCC1C Amb28243499 [0,0,1,1,0,0|2,0,0]=4 270 B13R1.201 CC(=O)CC(O)C1CCCCC1C Amb27764836 [0,0,1,1,0,0|2,0,0]=4 271 B13R1.201 CC(CC(=O)O)C1CCCCC1O Amb28076696 [0,0,1,1,0,0|1,0,0]=3 272 B13R1.201 CC(CC(=O)O)C1CCCCN1C Amb33323480 [0,0,1,1,0,0|1,0,0]=3 273 B13R1.201 CC1=C(C(C)CC(=O)O)CCCC1 Amb27608589 [0,0,1,1,0,0|0,0,2]=4 274 B13R1.201 CC1CCCCC1C(N)CC(=O)O Amb27983852 [0,0,1,1,0,0|1,0,0]=3 275 B13R1.201 CC1CCCCC1C(N)CC(N)=O Amb26547592 [0,0,1,1,0,0|2,0,0]=4 276 B13R1.201 CC1CCCCC1[C@@H](N)CC(=O)O Amb26537480 [0,0,1,1,0,0|1,0,0]=3 277 B13R1.201 CC1CCCCC1[C@@H](N)CC(N)=O Amb28193965 [0,0,1,1,0,0|2,0,0]=4 278 B13R1.201 CC1CCCCC1[C@H](N)CC(=O)O Amb26451779 [0,0,1,1,0,0|1,0,0]=3 279 B13R1.201 CC1CCCCC1[C@H](N)CC(N)=O Amb26537449 [0,0,1,1,0,0|2,0,0]=4 280 B13R1.201 CC1CCCCN1C(C)CC(=O)O Amb9399111 [0,0,1,1,0,0|1,0,0]=3 281 B13R1.201 CN(CC(=O)O)C1CCCCC1O Amb18289472 [0,0,1,1,0,0|2,0,0]=4 282 B13R1.201 CN1CCCCC1C(N)CC(=O)O Amb33323485 [0,0,1,1,0,0|2,0,0]=4 283 B13R1.201 CN1CCCCC1C(O)CC(=O)O Amb33322748 [0,0,1,1,0,0|2,0,0]=4 284 B13R1.201 CN1CCCCC1[C@@H](O)CC(=O)O Amb33322747 [0,0,1,1,0,0|2,0,0]=4 285 B13R1.201 CN1CCCCC1[C@H](O)CC(=O)O Amb33223887 [0,0,1,1,0,0|2,0,0]=4 286 B13R1.201 C[C@H](CC(=O)O)C1CCCCC1=O Amb27475546 [0,0,1,1,0,0|1,0,1]=4 287 B13R1.282 CC(CC(=O)O)CC1CCCN1C Amb33321416 [0,0,1,1,0,0|1,0,0]=3 288 B13R1.282 CN1CCCC1CC(N)CC(=O)O Amb33321429 [0,0,1,1,0,0|2,0,0]=4 289 B13R1.282 CN1CCCC1CC(O)CC(=O)O Amb33320748 [0,0,1,1,0,0|2,0,0]=4 290 B13R1.282 CN1CCCC1C[C@@H](O)CC(=O)O Amb33320747 [0,0,1,1,0,0|2,0,0]=4 291 B13R1.282 CN1CCCC1C[C@H](O)CC(=O)O Amb33223668 [0,0,1,1,0,0|2,0,0]=4 292 B13R1.348 CC(=O)CC(C)SC1CCCCC1 Amb32670934 [0,0,1,1,0,0|2,0,0]=4 293 B13R1.348 CC(=O)NC(C)CC1CCCCC1 Amb27408553 [0,0,1,1,0,0|2,0,0]=4 294 B13R1.348 CC(CC(=O)O)CC1CCCCC1 Amb32953558 [0,0,1,1,0,0|0,0,0]=2 295 B13R1.348 CC(CC(=O)O)NC1CCCCC1 Amb9398387 [0,0,1,1,0,0|1,0,0]=3 296 B13R1.348 CC(CC(N)=O)NC1CCCCC1 Amb17234100 [0,0,1,1,0,0|2,0,0]=4 297 B13R1.348 CC(CC1CCCCC1)NC(=O)Cl Amb35633523 [0,0,1,1,0,0|2,0,0]=4 298 B13R1.348 CC(CC1CCCCC1)NC(N)=O Amb35742464 [0,0,1,1,0,0|2,0,0]=4 299 B13R1.348 C[C@@H](CC1CCCCC1)NC(N)=O Amb28350849 [0,0,1,1,0,0|2,0,0]=4 300 B13R1.348 C\C(=C/C(=O)O)CC1CCCCC1 Amb35662608 [0,0,1,1,0,0|0,0,2]=4 301 B13R1.348 NC(=O)CC(N)CC1CCCCC1 Amb33255910 [0,0,1,1,0,0|2,0,0]=4 302 B13R1.348 NC(CC(=O)O)CC1CCCCC1 Amb18822383 [0,0,1,1,0,0|1,0,0]=3 303 B13R1.348 N[C@@H](CC(=O)O)CC1CCCCC1 Amb32757665 [0,0,1,1,0,0|1,0,0]=3 304 B13R1.348 N[C@@H](CC(=O)O)CC1CCCCC1 Amb33038389 [0,0,1,1,0,0|1,0,0]=3 305 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 Amb33456114 [0,0,1,1,0,0|1,0,0]=3 306 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 Amb33457558 [0,0,1,1,0,0|1,0,0]=3 307 B13R1.348 O=C(O)CC(O)CC1CCCCC1 Amb33474067 [0,0,1,1,0,0|1,0,0]=3 308 B13R1.348 O=C(O)C[C@@H](O)CC1CCCCC1 Amb33429766 [0,0,1,1,0,0|1,0,0]=3 309 B13R1.348 O=C(O)C[C@H](O)CC1CCCCC1 Amb33224869 [0,0,1,1,0,0|1,0,0]=3 310 B13R1.373 CCCN1CCCC(CC(=O)O)C1 Amb19027573 [0,0,1,1,0,0|1,0,0]=3 311 B13R1.373 COCC1CCCN(CC(=O)O)C1 Amb21865579 [0,0,1,1,0,0|2,0,0]=4 312 B13R1.373 COCC1CCCN(CC(=O)O)C1 Amb29847900 [0,0,1,1,0,0|2,0,0]=4 313 B13R1.390 CCCC1COCC1(N)CC(=O)O Amb33308317 [0,0,1,1,0,0|2,0,0]=4 314 B13R1.593 CC(CC(=O)O)NCC1CCCO1 Amb9398646 [0,0,1,1,0,0|2,0,0]=4 315 B13R1.593 CC(CCC1CCCC1)CC(=O)O Amb33172403 [0,0,1,1,0,0|0,0,0]=2 316 B13R1.593 CC(CCN1CCCC1)CC(=O)O Amb33448123 [0,0,1,1,0,0|1,0,0]=3 317 B13R1.593 C[C@@H](CCC1OCCO1)CC(=O)O Amb27179346 [0,0,1,1,0,0|2,0,0]=4 318 B13R1.593 NC(CCC1CCCC1)CC(=O)O Amb33481442 [0,0,1,1,0,0|1,0,0]=3 319 B13R1.593 NC(CCN1CCCC1)CC(=O)O Amb33448127 [0,0,1,1,0,0|2,0,0]=4 320 B13R1.593 O=C(O)CC(O)CCC1CCCC1 Amb33374559 [0,0,1,1,0,0|1,0,0]=3 321 B13R1.593 O=C(O)CC(O)CCN1CCCC1 Amb33275231 [0,0,1,1,0,0|2,0,0]=4 322 B13R1.593 O=C(O)C[C@@H](O)CCC1CCCC1 Amb33374558 [0,0,1,1,0,0|1,0,0]=3 323 B13R1.593 O=C(O)C[C@@H](O)CCN1CCCC1 Amb33275230 [0,0,1,1,0,0|2,0,0]=4 324 B13R1.593 O=C(O)C[C@H](O)CCC1CCCC1 Amb33481206 [0,0,1,1,0,0|1,0,0]=3 325 B13R1.593 O=C(O)C[C@H](O)CCN1CCCC1 Amb33225882 [0,0,1,1,0,0|2,0,0]=4 326 B13R1.775 C[C@H]1CCCCC[C@H](O)CC(=O)O1 Amb27467919 [0,0,1,1,0,0|1,0,0]=3 327 B13R1.1107 CC(=O)CN1CCCCCCCC1 Amb27596192 [0,0,1,1,0,0|2,0,0]=4 328 B13R1.1107 NC(=O)CN1CCCCCCCC1 Amb28254750 [0,0,1,1,0,0|2,0,0]=4 329 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [0,0,1,1,0,0|0,0,2]=4 330 B13R1.2020 CC(=O)CC1(O)CCCCCCC1 Amb32943767 [0,0,1,1,0,0|2,0,0]=4 331 B13R1.2020 NC(=O)CC1(N)CCCCCCC1 Amb32787700 [0,0,1,1,0,0|2,0,0]=4 332 B13R1.2020 NC1(CC(=O)O)CCCCCCC1 Amb22641941 [0,0,1,1,0,0|1,0,0]=3 333 B13R1.2020 NC1(CC(=O)O)CCCCCCC1 Amb31307619 [0,0,1,1,0,0|1,0,0]=3 334 B13R1.2897 CCCN1CCCC(C)C1C(=O)O Amb27603812 [0,0,1,1,0,0|1,0,0]=3 335 B13R1.3051 O=C(O)CN1CCCCC(CO)C1 Amb27396547 [0,0,1,1,0,0|2,0,0]=4 336 B13R1.3765 CC1(CC(=O)O)CCCCCC1=O Amb27400372 [0,0,1,1,0,0|1,0,1]=4 337 B13R1.3765 CC1CCCCCC1(N)CC(=O)O Amb33255481 [0,0,1,1,0,0|1,0,0]=3 338 B13R1.3765 CC1CCCCCC1(N)CC(N)=O Amb33255409 [0,0,1,1,0,0|2,0,0]=4 339 B13R1.3765 CC1CCCCCC1(O)CC(=O)O Amb35718034 [0,0,1,1,0,0|1,0,0]=3 340 B13R1.7456 CC(=O)CC(O)C1CCCCCC1 Amb27980460 [0,0,1,1,0,0|2,0,0]=4 341 B13R1.7456 CC(=O)N[C@@H](C)C1CCCCCC1 Amb27609226 [0,0,1,1,0,0|2,0,0]=4 342 B13R1.7456 CC(=O)OC(C)C1CCCCCC1 Amb27833463 [0,0,1,1,0,0|2,0,0]=4 343 B13R1.7456 CC(CC(=O)O)C1CCCCCC1 Amb18191560 [0,0,1,1,0,0|0,0,0]=2 344 B13R1.7456 CC(CC(=O)O)C1CCCNCC1 Amb18822380 [0,0,1,1,0,0|1,0,0]=3 345 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 Amb13949208 [0,0,1,1,0,0|1,0,0]=3 346 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 Amb9399146 [0,0,1,1,0,0|1,0,0]=3 347 B13R1.7456 CC(CC(N)=O)N1CCCCCC1 Amb17234102 [0,0,1,1,0,0|2,0,0]=4 348 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 Amb9266116 [0,0,1,1,0,0|1,0,0]=3 349 B13R1.7456 CN(CC(=O)O)C1CCCOCC1 Amb28207498 [0,0,1,1,0,0|2,0,0]=4 350 B13R1.7456 CN(CC(=O)O)C1CCCSCC1 Amb35700458 [0,0,1,1,0,0|2,0,0]=4 351 B13R1.7456 NC(=O)CC(N)C1CCCCCC1 Amb25851902 [0,0,1,1,0,0|2,0,0]=4 352 B13R1.7456 NC(=O)C[C@@H](N)C1CCCCCC1 Amb24629675 [0,0,1,1,0,0|2,0,0]=4 353 B13R1.7456 NC(=O)C[C@H](N)C1CCCCCC1 Amb24377514 [0,0,1,1,0,0|2,0,0]=4 354 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Amb28243685 [0,0,1,1,0,0|1,0,0]=3 355 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 Amb33184712 [0,0,1,1,0,0|1,0,0]=3 356 B13R1.7456 N[C@@H](CC(=O)O)C1CCCCCC1 Amb26037948 [0,0,1,1,0,0|1,0,0]=3 357 B13R1.7456 N[C@H](CC(=O)O)C1CCCCCC1 Amb25266526 [0,0,1,1,0,0|1,0,0]=3 358 B13R1.7456 O=C(O)CC(O)C1CCCCCC1 Amb33171812 [0,0,1,1,0,0|1,0,0]=3 359 B13R1.7456 O=C(O)C[C@@H](O)C1CCCCCC1 Amb33267304 [0,0,1,1,0,0|1,0,0]=3 360 B13R1.7456 O=C(O)C[C@H](O)C1CCCCCC1 Amb33267305 [0,0,1,1,0,0|1,0,0]=3 361 B13R1.48 CCCCCCC(O)C1CCCC1 Amb532964 [0,0,1,1,0,0|1,0,1]=4 362 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [0,0,1,1,0,0|1,0,1]=4 363 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [0,0,1,1,0,0|1,0,1]=4 364 B13R1.384 C#CCC1CC(CCC)CCC1O Amb18809434 [0,0,1,1,0,0|1,0,1]=4 365 B13R1.1546 CCCC(C)C1(O)CCCCC1C Amb27835402 [0,0,1,1,0,0|1,0,1]=4 366 B13R1.1552 CC1(C(O)CC=O)CCCCCC1 Amb27781850 [0,0,1,1,0,0|2,0,0]=4 367 B13R1.142 CCCC1CCC(CC(=O)O)CC1 Amb18322872 [0,0,1,1,0,0|2,0,0]=4 368 B13R1.142 CCCC1CCC(NC(=O)Cl)CC1 Amb35625854 [0,0,1,1,0,0|2,0,0]=4 369 B13R1.142 CCCC1CCC(NC(N)=O)CC1 Amb18318887 [0,0,1,1,0,0|2,0,0]=4 370 B13R1.142 CCCN1CCC(NC(C)=O)CC1 Amb2214899 [0,0,1,1,0,0|2,0,0]=4 371 B13R1.142 CCNC1CCC(NC(C)=O)CC1 Amb9518213 [0,0,1,1,0,0|2,0,0]=4 372 B13R1.142 CCN[C@H]1CC[C@H](NC(C)=O)CC1 Amb22802342 [0,0,1,1,0,0|2,0,0]=4 373 B13R1.283 CC(=O)OC1CCCCCCC1O Amb28146133 [0,0,1,1,0,0|1,0,0]=3 374 B13R1.283 CC(=O)O[C@@H]1CCCCCC[C@H]1O Amb27447910 [0,0,1,1,0,0|1,0,0]=3 375 B13R1.283 CC(=O)O[C@H]1CCCCCC[C@@H]1Cl Amb28344689 [0,0,1,1,0,0|1,0,0]=3 376 B13R1.641 CO[C@@H]1CCC[C@@H](OC(C)=O)[C@@H]1Cl Amb28436781 [0,0,1,1,0,0|2,0,0]=4 377 B13R1.641 CO[C@H]1CCC[C@@H](OC(C)=O)[C@@H]1Cl Amb28388662 [0,0,1,1,0,0|2,0,0]=4 378 B13R1.713 CC(=O)NC(CCl)C1CCCCC1 Amb28194659 [0,0,1,1,0,0|2,0,0]=4 379 B13R1.713 CC(=O)NC(CN)C1CCCCC1 Amb18252870 [0,0,1,1,0,0|2,0,0]=4 380 B13R1.713 CC(=O)OC(C#N)C1CCCCC1 Amb27649253 [0,0,1,1,0,0|1,0,1]=4 381 B13R1.713 CCC(CC(=O)O)C1CCCCC1 Amb18191561 [0,0,1,1,0,0|2,0,0]=4 382 B13R1.713 CCC(NC(=O)Cl)C1CCCCC1 Amb35625882 [0,0,1,1,0,0|2,0,0]=4 383 B13R1.713 CCC(NC(N)=O)C1CCCCC1 Amb18326435 [0,0,1,1,0,0|2,0,0]=4 384 B13R1.713 CCC(OC(N)=O)C1CCCCC1 Amb28555949 [0,0,1,1,0,0|1,0,0]=3 385 B13R1.2174 CCC1CCCC(CC(=O)O)CC1 Amb26448248 [0,0,1,1,0,0|2,0,0]=4 386 B13R1.3710 CC(=O)OC1CCCCC(Cl)CC1 Amb27401165 [0,0,1,1,0,0|1,0,0]=3 387 B13R1.6670 CC(=O)OC1(C#N)CCCCCC1 Amb2721323 [0,0,1,1,0,0|1,0,1]=4 388 B13R2.7 CCC1CCCC12CC(=O)CO2 Amb35734224 [1,0,0,1,0,0|2,0,0]=4 389 B13R2.7 CCC1COCC12CCC(=O)O2 Amb35632278 [1,0,0,1,0,0|1,0,0]=3 390 B13R2.7 CCC1COCC12CNC(=O)O2 Amb35616384 [1,0,0,1,0,0|2,0,0]=4 391 B13R2.10 ClC1=NCC(C2CCCCC2)O1 Amb28252435 [1,0,0,1,0,0|2,0,0]=4 392 B13R2.10 O=C1CC(C2CCCCC2)CN1 Amb22411524 [1,0,0,1,0,0|2,0,0]=4 393 B13R2.10 O=C1CCC(C2CCCCC2)N1 Amb27973556 [1,0,0,1,0,0|1,0,0]=3 394 B13R2.10 O=C1CCC(C2CCCCO2)O1 Amb35637848 [1,0,0,1,0,0|1,0,0]=3 395 B13R2.10 O=C1CCC(C2CCNCC2)N1 Amb15692167 [1,0,0,1,0,0|2,0,0]=4 396 B13R2.10 O=C1COC(C2CCCCC2)C1 Amb28324356 [1,0,0,1,0,0|2,0,0]=4 397 B13R2.10 O=C1C[C@@H](C2CCCCC2)CN1 Amb27174216 [1,0,0,1,0,0|2,0,0]=4 398 B13R2.10 O=C1NC(C2CCCCC2)CO1 Amb24422007 [1,0,0,1,0,0|2,0,0]=4 399 B13R2.10 O=C1NCC(C2CCCCC2)O1 Amb27595140 [1,0,0,1,0,0|1,0,0]=3 400 B13R2.10 O=C1NCC(C2CCCCC2)S1 Amb28367673 [1,0,0,1,0,0|1,1,0]=4 401 B13R2.10 O=C1NCC(C2CCCCO2)O1 Amb33223736 [1,0,0,1,0,0|2,0,0]=4 402 B13R2.10 O=C1NCC(C2CCCOC2)O1 Amb27800348 [1,0,0,1,0,0|2,0,0]=4 403 B13R2.10 O=C1NCC(C2CCCSC2)O1 Amb32726149 [1,0,0,1,0,0|2,0,0]=4 404 B13R2.10 O=C1NCC(C2CCNCC2)O1 Amb29083328 [1,0,0,1,0,0|2,0,0]=4 405 B13R2.10 O=C1NCC(C2CCOCC2)O1 Amb28143861 [1,0,0,1,0,0|2,0,0]=4 406 B13R2.10 O=C1N[C@H](C2CCCCC2)CO1 Amb28130263 [1,0,0,1,0,0|2,0,0]=4 407 B13R2.10 OC1CCC(C2CCCCC2)O1 Amb22752556 [1,0,0,1,0,0|0,0,2]=4 408 B13R2.51 CC[C@@H]1C[C@H]1CN2CCC(=O)C2 Amb27266213 [1,0,0,1,0,0|2,0,0]=4 409 B13R2.142 O=C1CC(CC2CCCC2)CN1 Amb25064533 [1,0,0,1,0,0|2,0,0]=4 410 B13R2.142 O=C1CCC(CN2CCCC2)N1 Amb26578562 [1,0,0,1,0,0|2,0,0]=4 411 B13R2.142 O=C1CCC(SC2CCCC2)C1 Amb27235443 [1,0,0,1,0,0|2,0,0]=4 412 B13R2.142 O=C1COC(CC2CCCC2)C1 Amb35734234 [1,0,0,1,0,0|2,0,0]=4 413 B13R2.142 O=C1NC(CC2CCCC2)CO1 Amb24600592 [1,0,0,1,0,0|2,0,0]=4 414 B13R2.142 O=C1NCC(CC2CCCC2)O1 Amb26980342 [1,0,0,1,0,0|1,0,0]=3 415 B13R2.144 CC1OCCC1C2CNC(=O)O2 Amb33426783 [1,0,0,1,0,0|2,0,0]=4 416 B13R2.144 CN1CCC[C@@H]1[C@H]2CNC(=O)O2 Amb27237265 [1,0,0,1,0,0|2,0,0]=4 417 B13R2.144 CN1CCC[C@H]1[C@@H]2CNC(=O)O2 Amb27627136 [1,0,0,1,0,0|2,0,0]=4 418 B13R2.259 O=CCC1CCC2OC(=O)CC12 Amb28202226 [1,0,0,1,0,0|1,0,1]=4 419 B13R2.389 O=C1NC2C(O)CCCCC2O1 Amb27494153 [1,0,0,1,0,0|2,0,0]=4 420 B13R2.389 O=C1N[C@H]2[C@H](CCCC[C@H]2O)O1 Amb27469824 [1,0,0,1,0,0|2,0,0]=4 421 B13R2.390 O=C1CC[C@@H]2CCCC[C@H](O)[C@H]12 Amb27428029 [1,0,0,1,0,0|2,0,0]=4 422 B13R2.390 O=C1CC[C@H]2CCCC[C@@H](O)[C@H]12 Amb27199061 [1,0,0,1,0,0|2,0,0]=4 423 B13R2.513 O=C1CCC2CC(CCCO)C12 Amb27177903 [1,0,0,1,0,0|2,0,0]=4 424 B13R2.581 CCC1CCCC2=CC(=O)CC21 Amb27802678 [1,0,0,1,0,0|1,0,1]=4 425 B13R2.581 CCC1CCCC2CC(=O)CN12 Amb27599401 [1,0,0,1,0,0|2,0,0]=4 426 B13R2.2973 O=C1CCC(CNCC2CC2)N1 Amb33230958 [1,0,0,1,0,0|2,0,0]=4 427 B13R2.2974 O=C1CC[C@@H](CNC2CCC2)N1 Amb28458245 [1,0,0,1,0,0|2,0,0]=4 428 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [1,0,0,1,0,0|1,0,0]=3 429 B13R2.4688 NC1=NC2CCCCCCC2O1 Amb27214155 [1,0,0,1,0,0|2,0,0]=4 430 B13R2.4688 O=C1C=C2CCCCCCC2C1 Amb27175871 [1,0,0,1,0,0|1,0,1]=4 431 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [1,0,0,1,0,0|1,0,0]=3 432 B13R2.4688 O=C1CC2CCCCCCC2N1 Amb28340979 [1,0,0,1,0,0|1,0,0]=3 433 B13R2.4688 O=C1N[C@H]2CCCCCC[C@H]2O1 Amb27201637 [1,0,0,1,0,0|1,0,0]=3 434 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2O1 Amb27423114 [1,0,0,1,0,0|0,0,2]=4 435 B13R2.5023 CC1CCCCC12CN=C(N)O2 Amb27835469 [1,0,0,1,0,0|2,0,0]=4 436 B13R2.5023 CC1CCCCC12COC(=O)N2 Amb28141676 [1,0,0,1,0,0|2,0,0]=4 437 B13R2.5023 CC1CCCC[C@]12CCC(=O)C2 Amb28126666 [1,0,0,1,0,0|1,0,0]=3 438 B13R2.5023 CC1COCCC12CNC(=O)O2 Amb27806656 [1,0,0,1,0,0|2,0,0]=4 439 B13R2.5023 C[C@@H]1CCCC[C@]12CCC(=O)C2 Amb28248005 [1,0,0,1,0,0|1,0,0]=3 440 B13R2.5023 C[C@H]1CCCC[C@@]12CCC(=O)C2 Amb28054352 [1,0,0,1,0,0|1,0,0]=3 441 B13R2.5023 C[C@H]1CCCC[C@]12CNC(=O)O2 Amb28251125 [1,0,0,1,0,0|1,0,0]=3 442 B13R2.5023 O=C1CC[C@]2(CCCC[C@@H]2O)C1 Amb28324294 [1,0,0,1,0,0|2,0,0]=4 443 B13R2.5023 O=C1CC[C@]2(CCCC[C@@H]2O)N1 Amb27201651 [1,0,0,1,0,0|2,0,0]=4 444 B13R2.13132 O=C1CC2(CCCCCC2)CN1 Amb10608002 [1,0,0,1,0,0|2,0,0]=4 445 B13R2.13132 O=C1CCC2(CCCSCC2)O1 Amb35691492 [1,0,0,1,0,0|1,0,0]=3 446 B13R2.13132 O=C1CSC2(CCCCCC2)N1 Amb15695090 [1,0,0,1,0,0|2,0,0]=4 447 B13R2.13132 O=C1NCC2(CCCNCC2)O1 Amb19516813 [1,0,0,1,0,0|2,0,0]=4 448 B13R2.13132 O=C1NCC2(CCCOCC2)O1 Amb27656857 [1,0,0,1,0,0|2,0,0]=4 449 B13R2.15 CC1CNCC1C2CCCCC2 Amb27976184 [1,0,0,1,0,0|2,0,0]=4 450 B13R2.15 C[C@@H]1CCN[C@H]1C2CCCCC2 Amb18826820 [1,0,0,1,0,0|1,0,1]=4 451 B13R2.15 C[C@H]1CCN[C@@H]1C2CCCCC2 Amb27420239 [1,0,0,1,0,0|1,0,1]=4 452 B13R2.15 C[C@H]1NCO[C@H]1C2CCCCC2 Amb27439992 [1,0,0,1,0,0|1,0,1]=4 453 B13R2.104 CCC1CCCC12CNCC2C Amb28073317 [1,0,0,1,0,0|2,0,0]=4 454 B13R2.449 CCCC1CCC2NCCC2C1 Amb32794581 [1,0,0,1,0,0|1,0,1]=4 455 B13R2.3130 NC1CCOC12CCCCCC2 Amb32990584 [1,0,0,1,0,0|1,0,1]=4 456 B13R2.3130 OC1CCOC12CCCCCC2 Amb32990728 [1,0,0,1,0,0|1,0,1]=4 457 B13R2.180 O=C1CC(O)C2(CCCC2O)O1 Amb27665349 [1,0,0,1,0,0|2,0,0]=4 458 B13R2.1682 CC1C2CCC(CO)C1C(=O)O2 Amb27605411 [1,0,0,1,0,0|1,0,0]=3 459 B13R2.2121 CC[C@H]1CC[C@H]2CC(=O)CN2C1 Amb28053983 [1,0,0,1,0,0|2,0,0]=4 460 B13R2.4014 CC1CC(=O)NC12CCCCC2 Amb25277252 [1,0,0,1,0,0|1,0,0]=3 461 B13R2.4014 CC1CC(=O)NC12CCOCC2 Amb33232262 [1,0,0,1,0,0|2,0,0]=4 462 B13R2.4014 CC1NC(=O)CC12CCCCC2 Amb25717286 [1,0,0,1,0,0|2,0,0]=4 463 B13R2.4014 CC1NC(=O)OC12CCNCC2 Amb27606307 [1,0,0,1,0,0|2,0,0]=4 464 B13R2.4014 CC1NC(=O)OC12CCNCC2 Amb33299342 [1,0,0,1,0,0|2,0,0]=4 465 B13R2.4515 CCOC1CC2CC(=O)CC2C1 Amb28202272 [1,0,0,1,0,0|2,0,0]=4 466 B13R2.4666 CC1NC(=O)CC1C2CCCC2 Amb28189569 [1,0,0,1,0,0|2,0,0]=4 467 B13R2.4666 O=C1CC(O)C(C2CCCC2)O1 Amb28077968 [1,0,0,1,0,0|1,0,0]=3 468 B13R2.4746 C[C@@]12CCCCCC1=CC(=O)C2 Amb27599501 [1,0,0,1,0,0|1,0,1]=4 469 B13R2.4746 C[C@]12CCCCC[C@@H]1CC(=O)C2 Amb28052368 [1,0,0,1,0,0|1,0,0]=3 470 B13R2.4746 C[C@]12CCCCC[C@H]1CC(=O)C2 Amb28457464 [1,0,0,1,0,0|1,0,0]=3 471 B13R2.4857 C[C@@H]1CC(=O)[C@H]2[C@@H](O)CCC[C@@H]12 Amb27447288 [1,0,0,1,0,0|2,0,0]=4 472 B13R2.13020 CC12CC(=O)OC1CCCC2=O Amb27409505 [1,0,0,1,0,0|1,0,1]=4 473 B13R2.13020 C[C@@H]1CCCC2=CC(=O)C[C@]21C Amb27859365 [1,0,0,1,0,0|1,0,1]=4 474 B13R2.13020 C[C@@H]1CCC[C@@H]2CC(=O)C[C@]12C Amb27199166 [1,0,0,1,0,0|1,0,0]=3 475 B13R2.13020 C[C@H]1CCCC2=CC(=O)C[C@@]21C Amb27467778 [1,0,0,1,0,0|1,0,1]=4 476 B13R2.13020 C[C@H]1CCC[C@@H]2CC(=O)C[C@]12C Amb27433147 [1,0,0,1,0,0|1,0,0]=3 477 B13R2.30 CC1CC(=O)C1C2=CCCCC2 Amb28253823 [0,0,0,1,1,0|0,0,2]=4 478 B13R2.3800 CC1NC(=O)C12CCCCCC2 Amb27416751 [0,0,0,1,1,0|1,0,0]=3 479 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,1,1,0|0,0,0]=2 480 B13R2.4787 O=C1NC2CCCCCCCC12 Amb27646369 [0,0,0,1,1,0|1,0,0]=3 481 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@@H]12 Amb27983514 [0,0,0,1,1,0|1,0,0]=3 482 B13R2.4787 O=C1N[C@H]2CCCCCCC[C@H]12 Amb27841212 [0,0,0,1,1,0|1,0,0]=3 483 B13R2.373 CC1C(=O)CC1N2CCCCC2 Amb28381207 [0,0,0,1,1,0|2,0,0]=4 484 B13R2.373 O=C1NC(C2CCCCC2)C1O Amb27190791 [0,0,0,1,1,0|2,0,0]=4 485 B13R2.3095 CC1C(=O)OC12CCCCC2O Amb27472740 [0,0,0,1,1,0|1,0,0]=3 486 B13R2.3312 CC12CCCCCCC1CC2=O Amb27164656 [0,0,0,1,1,0|1,0,0]=3 487 B13R2.3312 O=C1C[C@@H]2CCCCCC[C@]12O Amb28285932 [0,0,0,1,1,0|2,0,0]=4 488 B15R2.33 CC1CCC(=O)CC1C2CCCCC2 Amb32865298 [0,0,0,1,0,1|1,0,0]=3 489 B15R2.33 CC1CCC(=O)CC1C2CCOCC2 Amb32865312 [0,0,0,1,0,1|2,0,0]=4 490 B15R2.33 CC1CCC(=O)CC1N2CCCCC2 Amb32866975 [0,0,0,1,0,1|2,0,0]=4 491 B15R2.33 CN1CCC(=O)CC1C2CCCCC2 Amb25083259 [0,0,0,1,0,1|2,0,0]=4 492 B15R2.390 CC1CCC(=O)CC1N2CCCC2C Amb32866979 [0,0,0,1,0,1|2,0,0]=4 493 B15R2.7567 CC1CCC(=O)CC1CC2CCCC2 Amb32865299 [0,0,0,1,0,1|1,0,0]=3 494 B15R2.7567 CC1CCC(=O)CC1CC2CCOC2 Amb32865405 [0,0,0,1,0,1|2,0,0]=4 495 B15R2.7567 CC1CCC(=O)CC1OC2CCCC2 Amb32867569 [0,0,0,1,0,1|2,0,0]=4 496 B15R2.7567 CC1CCC(=O)CC1SC2CCCC2 Amb32867528 [0,0,0,1,0,1|2,0,0]=4 497 B15R2.15662 CC1CCC(=O)CC1OCC2CCC2 Amb32867602 [0,0,0,1,0,1|2,0,0]=4 498 B15R2.63133 C[C@]12CCC(=O)C[C@@H]1CCCC[C@@H]2O Amb27650453 [0,0,0,1,0,1|2,0,0]=4 499 B15R2.27 CC1CC(=O)CC(C2CCCOC2)N1 Amb18812256 [0,0,0,1,0,1|2,0,0]=4 500 B15R2.27 CC1CC(=O)CC(C2CCCSC2)N1 Amb18170124 [0,0,0,1,0,1|2,0,0]=4 501 B15R2.27 CC1CC(=O)CC(C2CCOCC2)N1 Amb18812257 [0,0,0,1,0,1|2,0,0]=4 502 B15R2.27 CC1CC(=O)CC(C2CCSCC2)N1 Amb18170138 [0,0,0,1,0,1|2,0,0]=4 503 B15R2.27 NC1CC(=O)NC(C2CCCCC2)C1 Amb27977755 [0,0,0,1,0,1|2,0,0]=4 504 B15R2.13221 O=C1C=C2CCCCCCCC(C1)C2 Amb26021707 [0,0,0,1,0,1|1,0,1]=4 505 B15R2.13221 O=C1CC2CCCCCCCC(C1)C2 Amb27864039 [0,0,0,1,0,1|1,0,0]=3 506 B15R2.13221 O=C1C[C@H]2CCCCCCC[C@@H](C1)C2 Amb27483017 [0,0,0,1,0,1|1,0,0]=3 507 B15R2.658 CCCC1CC1N2CCC(=O)CC2C Amb27225549 [0,0,0,1,0,1|2,0,0]=4 508 B15R2.1154 CC1CC(=O)CCN1CC2CCCC2 Amb19052774 [0,0,0,1,0,1|2,0,0]=4 509 B15R2.1939 CCC1CC1CN2CCC(=O)CC2C Amb27245132 [0,0,0,1,0,1|2,0,0]=4 510 B15R2.1939 CC[C@@H]1C[C@H]1CN2CCC(=O)CC2C Amb28066855 [0,0,0,1,0,1|2,0,0]=4 511 B15R2.14342 CN1CC(=O)NCC12CCCCCC2 Amb18812853 [0,0,0,1,0,1|2,0,0]=4 512 B15R2.43839 CC1CC(=O)CCN1CCC2CCC2 Amb27947360 [0,0,0,1,0,1|2,0,0]=4 513 B15R2.16 CCC1OC(=O)NC1C2CCCCC2 Amb27975846 [0,1,0,1,0,0|2,0,0]=4 514 B15R2.16 O=C1C[C@@H](C2CCCCC2)[C@@H](CO)O1 Amb27970589 [0,1,0,1,0,0|2,0,0]=4 515 B15R2.16 O=C1NC(CCl)C(C2CCCCC2)O1 Amb27443040 [0,1,0,1,0,0|1,0,0]=3 516 B15R2.4651 CCC1NC(=O)CC1CC2CCCC2 Amb27878075 [0,1,0,1,0,0|2,0,0]=4 517 B15R2.83704 CCC1NC(=O)OC12CCCCCC2 Amb27876462 [0,1,0,1,0,0|1,0,0]=3 518 B15R2.83704 NCC1OC(=O)CC12CCCCCC2 Amb33097757 [0,1,0,1,0,0|2,0,0]=4 519 B15R2.83704 O=C1CC2(CCCCCC2)C(CI)O1 Amb33097700 [0,1,0,1,0,0|2,0,0]=4 520 B15R2.8603 CC1CCCCCC12CC(=O)NC2C Amb35734088 [0,1,0,1,0,0|2,0,0]=4 521 B15R2.59810 CC1NC(=O)CC1C2CCCCCC2 Amb27211672 [0,1,0,1,0,0|2,0,0]=4 522 B15R2.325 O=C1CC(O)C(CC2CCCCC2)N1 Amb27815232 [0,1,0,1,0,0|2,0,0]=4 523 B15R2.1320 CCCC1COCC12CC(=O)NC2C Amb35635812 [0,1,0,1,0,0|2,0,0]=4 524 B15R2.2301 CCC1CCCCC12CC(=O)NC2C Amb28144438 [0,1,0,1,0,0|2,0,0]=4 525 B15R2.7104 NC1CC(=O)OC1OCC2CCCC2 Amb27864563 [0,1,0,1,0,0|1,0,0]=3 526 B15R2.63026 CC1CCC2(CC(=O)NC2C)C(C)C1 Amb28122799 [0,1,0,1,0,0|2,0,0]=4 527 B15R2.34344 CCC1CCCC12C(C)NC(=O)C2C Amb27626313 [0,1,0,1,0,0|2,0,0]=4 528 B15R2.43518 CC1CCCCC12C(C)NC(=O)C2C Amb27221403 [0,1,0,1,0,0|2,0,0]=4 529 B15R2.7077 CC1(C)NC(=O)CC1CC2CCCC2 Amb27645671 [0,1,0,1,0,0|2,0,0]=4 530 B15R2.53104 CC1(C)NC(=O)CC12CCCCCC2 Amb27417694 [0,1,0,1,0,0|2,0,0]=4 531 B15R2.324 CC1NC(=O)CC1(C)C2CCCCC2 Amb28190660 [0,1,0,1,0,0|2,0,0]=4 532 B15R2.41799 CC1NC(=O)CC1(C)CC2CCCC2 Amb35580919 [0,1,0,1,0,0|2,0,0]=4 533 B15R3.11707 CC1NC(=O)CC12CC3CCC2C3 Amb28424212 [0,0,0,2,0,0|2,0,0]=4 534 B15R3.18264 O=C1C=C2CCC3CCCCC23C1 Amb27855026 [0,0,0,2,0,0|1,0,1]=4 535 B15R3.18264 O=C1C[C@@H]2CN[C@@H]3CCCC[C@]23C1 Amb27789951 [0,0,0,2,0,0|2,0,0]=4 536 B15R3.68024 CC1NC(=O)CC12CCCC3CC32 Amb27854481 [0,0,0,2,0,0|2,0,0]=4 537 B15R3.78964 C[C@]12CCC[C@H]3C[C@H]3C1=CC(=O)C2 Amb28199919 [0,0,0,2,0,0|1,0,1]=4 538 B15R3.74565 CC1NC(=O)CC1C2CC3CC3C2 Amb35598747 [0,0,0,2,0,0|2,0,0]=4 539 B15R3.14641 O=C1CC2CC13CCCCCCC23 Amb27256550 [0,0,0,2,0,0|1,0,0]=3 540 B15R3.677 O=C1N[C@H]2C[C@@H]3CCC[C@H]3C[C@H]2O1 Amb27662246 [0,0,0,2,0,0|1,0,0]=3 541 B15R3.14803 C[C@]12CC(=O)C[C@H]1C[C@@H]3CCC[C@@H]32 Amb27626903 [0,0,0,2,0,0|1,0,0]=3 542 B15R3.40946 CC12CC(=O)C3C(CCC31)C2CO Amb27972372 [0,0,0,2,0,0|2,0,0]=4 543 B11R0.42 CCCCCCCC(=O)C(=O)O Amb22904309 [0,0,1,0,1,0|1,0,1]=4 544 B11R0.42 CCCCCCCC(N)C(=O)O Amb2229635 [0,0,1,0,1,0|1,0,0]=3 545 B11R0.42 CCCCCCCC(N)C(N)=O Amb18794469 [0,0,1,0,1,0|2,0,0]=4 546 B11R0.42 CCCCCCC[C@@H](N)C(=O)O Amb22747720 [0,0,1,0,1,0|1,0,0]=3 547 B11R0.42 CCCCCCC[C@H](N)C(=O)O Amb33308889 [0,0,1,0,1,0|1,0,0]=3 548 B11R0.42 CCCCCCOC(C)C(=O)O Amb7790036 [0,0,1,0,1,0|1,0,0]=3 549 B11R0.42 CCCCOCCC(N)C(=O)O Amb18795636 [0,0,1,0,1,0|2,0,0]=4 550 B11R0.42 CCCCOCC[C@@H](N)C(=O)O Amb33065700 [0,0,1,0,1,0|2,0,0]=4 551 B11R0.42 CCCCOCC[C@H](N)C(=O)O Amb32789517 [0,0,1,0,1,0|2,0,0]=4 552 B11R0.42 CCC\C=C\CCC(C)C(=O)O Amb33373744 [0,0,1,0,1,0|0,0,2]=4 553 B11R0.42 CCOCCNCC(C)C(=O)O Amb13952381 [0,0,1,0,1,0|2,0,0]=4 554 B11R0.42 CCOCCNCC(C)C(=O)O Amb9454345 [0,0,1,0,1,0|2,0,0]=4 555 B11R0.42 NC(CCCCCCO)C(=O)O Amb32937041 [0,0,1,0,1,0|2,0,0]=4 556 B11R0.42 N[C@@H](CCCCCCO)C(=O)O Amb33033601 [0,0,1,0,1,0|2,0,0]=4 557 B11R0.42 N[C@H](CCCCCCO)C(=O)O Amb33069952 [0,0,1,0,1,0|2,0,0]=4 558 B11R1.190 CCCCC\C=C1/CCC1=O Amb28080152 [1,0,0,0,1,0|0,0,2]=4 559 B11R1.757 CCCCC[C@@H]1NC(=O)[C@@H]1O Amb28080085 [1,0,0,0,1,0|2,0,0]=4 560 B13R0.154 CCCCCCCC(=O)NCC(=O)O Amb3998086 [0,0,1,0,0,1|1,0,1]=4 561 B13R0.154 CCCCCCCC(C)NCC(C)O Amb9359358 [0,0,1,0,0,1|1,0,1]=4 562 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,0,1,0,0,1|1,0,1]=4 563 B13R1.9 CCCCCCC1CCC(=O)CC1 Amb33718611 [1,0,0,0,0,1|1,0,0]=3 564 B13R1.9 CCCCCCN1CCC(=O)CC1 Amb6384594 [1,0,0,0,0,1|2,0,0]=4