0 B11R0.273 CCC(NCCC(C)=O)C(=O)O Amb32675830 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.273 CCC(SCCC(C)C)C(=O)O Amb17501350 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.273 COC(CCCN(C)C)C(=O)O Amb33271962 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.77 CCC(CC)CCCC(=O)O Amb33080333 [1,0,0,0,0,0|1,0,1]=3 4 B10R0.77 CCC(CCCC(=O)O)OC Amb33359882 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.77 CCN(CC)CCCC(=O)O Amb8455324 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.86 CCC(NCCC#N)C(=O)O Amb17315319 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.86 CCC(OCCCN)C(=O)O Amb18628658 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.86 CCC(OCCNC)C(=O)O Amb18630743 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.86 CCC(SCCCO)C(=O)O Amb17501362 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.86 CCCCCC(CC)C(=O)O Amb18791930 [1,0,0,0,0,0|1,0,1]=3 11 B10R0.86 CCCCCC(OC)C(=O)O Amb32953478 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.86 CCCCSC(CC)C(=O)O Amb9675509 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.86 CN[C@@H](CCCCN)C(=O)O Amb33876452 [1,0,0,0,0,0|2,0,1]=4 14 B10R0.86 COC(CCCSC)C(=O)O Amb33359228 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.86 COCCCC(OC)C(=O)O Amb33377469 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [1,0,0,0,0,0|2,0,0]=3 19 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.98 CC(=O)CCNC(C)C(=O)O Amb32675829 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.98 CC(=O)N(C)CCCC(=O)O Amb9203971 [1,0,0,0,0,0|2,0,0]=3 22 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [1,0,0,0,0,0|2,0,0]=3 23 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [1,0,0,0,0,0|3,0,0]=4 24 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.98 CC(C)CCCC(C)C(=O)O Amb33358621 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.98 CC(C)CCC[C@@H](C)C(=O)O Amb33727257 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.98 CC(C)CCC[C@H](C)C(=O)O Amb33744631 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.98 CC(CCCN(C)C)C(=O)O Amb33359292 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.98 CC(N)CCCC(C)C(=O)O Amb19337779 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.98 CC(N)CCCC(C)C(=O)O Amb22059651 [1,0,0,0,0,0|2,0,1]=4 32 B10R0.98 CC(NCCC(=O)O)C(=O)O Amb18098310 [1,0,0,0,0,0|1,0,0]=2 33 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.98 CC(SCCC(=O)O)C(=O)O Amb17501234 [1,0,0,0,0,0|1,0,0]=2 37 B10R0.98 CC(SCCC(=O)O)C(N)=O Amb9202514 [1,0,0,0,0,0|2,0,0]=3 38 B10R0.98 CC(S\C=C\C(=O)O)C(=O)O Amb18647961 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [1,0,0,0,0,0|3,0,0]=4 40 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [1,0,0,0,0,0|3,0,0]=4 41 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [1,0,0,0,0,0|1,0,0]=2 42 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [1,0,0,0,0,0|1,0,0]=2 43 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [1,0,0,0,0,0|2,0,0]=3 44 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [1,0,0,0,0,0|1,0,0]=2 45 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [1,0,0,0,0,0|2,0,0]=3 46 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [1,0,0,0,0,0|1,0,0]=2 48 B10R0.98 N[C@H](C\C=C\C(=O)O)C(=O)O Amb25383155 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [1,0,0,0,0,0|1,0,0]=2 50 B10R0.98 O=C(O)CSCC(=O)C(=O)O Amb33069681 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] Amb22284811 [1,0,0,0,0,0|1,0,2]=4 52 B12R0.136 CC(=O)N(CCCC(=O)O)C(C)=O Amb17234376 [0,1,0,0,0,0|2,0,1]=4 53 B12R0.397 CC(=O)CCCC(NC=O)C(=O)O Amb33036582 [0,1,0,0,0,0|2,0,1]=4 54 B12R0.668 CCC(SCC(=O)C(=O)O)C(=O)O Amb33069692 [0,1,0,0,0,0|1,0,1]=3 55 B12R0.668 CCC(SCC(=O)C(=O)O)C(C)=O Amb33070039 [0,1,0,0,0,0|2,0,1]=4 56 B12R0.668 CCC(SCC(=O)C(=O)O)C(N)=O Amb33069779 [0,1,0,0,0,0|2,0,1]=4 57 B12R0.668 NCC(SCC(=O)C(=O)O)C(=O)O Amb33069698 [0,1,0,0,0,0|2,0,1]=4 58 B12R0.668 O=C(O)C(=O)CSC(CO)C(=O)O Amb33069685 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.48 CCC1NCC(C(C)=O)NC1=O Amb18825662 [0,0,0,1,0,0|3,0,0]=4 60 B12R1.48 CCC1SCC(C(=O)O)NC1=O Amb18129798 [0,0,0,1,0,0|2,0,0]=3 61 B12R1.48 CCN1CCC(C(=O)O)CC1=O Amb28066641 [0,0,0,1,0,0|2,0,0]=3 62 B12R1.48 CC[C@H]1CC[C@@H](C(=O)O)C[C@H]1O Amb27477841 [0,0,0,1,0,0|1,0,1]=3 63 B12R1.48 CO[C@@H]1CC[C@@H](C(=O)O)C[C@H]1O Amb28052120 [0,0,0,1,0,0|2,0,1]=4 64 B12R1.66 CCC1CN(CC(=O)O)CC1O Amb27776113 [0,0,0,1,0,0|2,0,1]=4 65 B12R1.66 CCN1CC(CC(=O)O)OC1=O Amb18198111 [0,0,0,1,0,0|1,0,0]=2 66 B12R1.130 CC(=O)CC\C=C1/CCOC1=O Amb27176003 [0,0,0,1,0,0|1,0,2]=4 67 B12R1.130 CC(=O)NCCC1CCCC1=O Amb27793453 [0,0,0,1,0,0|3,0,0]=4 68 B12R1.130 CC1OCCC1CCCC(=O)O Amb33429902 [0,0,0,1,0,0|1,0,1]=3 69 B12R1.130 CN1CCCC1CCCC(=O)O Amb33322235 [0,0,0,1,0,0|3,0,0]=4 70 B12R1.130 O=C(O)CCCN1CCCC1=O Amb1130787 [0,0,0,1,0,0|2,0,0]=3 71 B12R1.130 O=C(O)CCCN1CCOC1=O Amb6673444 [0,0,0,1,0,0|1,0,0]=2 72 B12R1.130 O=C(O)CCSC1CCCC1=O Amb16230793 [0,0,0,1,0,0|2,0,0]=3 73 B12R1.130 O=C(O)COCN1CCCC1=O Amb32946170 [0,0,0,1,0,0|3,0,0]=4 74 B12R1.130 O=C(O)\C=C\CC1CCCC1=O Amb25772855 [0,0,0,1,0,0|1,0,2]=4 75 B12R1.256 C=C(C)C1CCC(C(=O)O)CC1 Amb24390282 [0,0,0,1,0,0|2,0,0]=3 76 B12R1.256 CC(=O)C1CCC(C(=O)O)CC1 Amb26336159 [0,0,0,1,0,0|1,0,0]=2 77 B12R1.256 CC(=O)C1CCC(C(C)=O)CC1 Amb20620885 [0,0,0,1,0,0|2,0,0]=3 78 B12R1.256 CC(=O)C1CCN(C(=O)Cl)CC1 Amb25669460 [0,0,0,1,0,0|3,0,0]=4 79 B12R1.256 CC(=O)C1CCN(C(C)=O)CC1 Amb2724241 [0,0,0,1,0,0|3,0,0]=4 80 B12R1.256 CC(=O)N1CCC(C(=O)Cl)CC1 Amb3939577 [0,0,0,1,0,0|3,0,0]=4 81 B12R1.256 CC(=O)N1CCC(C(=O)O)CC1 Amb1214490 [0,0,0,1,0,0|2,0,0]=3 82 B12R1.256 CC(=O)N1CCC(C(=O)[O-])CC1 Amb33513082 [0,0,0,1,0,0|2,0,1]=4 83 B12R1.256 CC(=O)N1CCC(C(N)=O)CC1 Amb33552735 [0,0,0,1,0,0|3,0,0]=4 84 B12R1.256 CC(C)C1CCC(C(=O)O)CC1 Amb1093786 [0,0,0,1,0,0|2,0,1]=4 85 B12R1.256 CC(C)[C@H]1CC[C@@H](C(=O)O)CC1 Amb27161203 [0,0,0,1,0,0|2,0,1]=4 86 B12R1.256 CC(C)[C@H]1CC[C@H](C(=O)O)CC1 Amb33523611 [0,0,0,1,0,0|2,0,1]=4 87 B12R1.256 CN(C)C1CCC(C(=O)O)CC1 Amb18198573 [0,0,0,1,0,0|3,0,0]=4 88 B12R1.256 CN(C)C1CCC(C(=O)O)CC1 Amb35746575 [0,0,0,1,0,0|3,0,0]=4 89 B12R1.256 CN(C)[C@H]1CC[C@@H](C(=O)O)CC1 Amb27650609 [0,0,0,1,0,0|3,0,0]=4 90 B12R1.256 CN(C)[C@H]1CC[C@H](C(=O)O)CC1 Amb27657736 [0,0,0,1,0,0|3,0,0]=4 91 B12R1.256 CS(=O)N1CCC(C(=O)O)CC1 Amb27195997 [0,0,0,1,0,0|3,0,0]=4 92 B12R1.256 C[C@@H](N)[C@H]1CC[C@H](C(=O)O)CC1 Amb28195135 [0,0,0,1,0,0|2,0,1]=4 93 B12R1.256 N=C(N)C1CCC(C(N)=O)CC1 Amb27462608 [0,0,0,1,0,0|3,0,0]=4 94 B12R1.256 N=C(N)N1CCC(C(=O)O)CC1 Amb8630236 [0,0,0,1,0,0|3,0,0]=4 95 B12R1.256 NC(=O)C1CCC(C(=O)O)CC1 Amb6252698 [0,0,0,1,0,0|1,0,0]=2 96 B12R1.256 NC(=O)C1CCC(C(=O)O)NC1 Amb27250888 [0,0,0,1,0,0|2,0,0]=3 97 B12R1.256 NC(=O)C1CCC(C(N)=O)CC1 Amb24532770 [0,0,0,1,0,0|2,0,0]=3 98 B12R1.256 NC(=O)C1CCN(C(N)=O)CC1 Amb1127101 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.256 NC(=O)N1CCC(C(=O)O)CC1 Amb1154280 [0,0,0,1,0,0|2,0,0]=3 100 B12R1.256 NC(=O)[C@H]1CC[C@@H](C(=O)Cl)CC1 Amb27236811 [0,0,0,1,0,0|2,0,0]=3 101 B12R1.256 NC(=O)[C@H]1CC[C@H](C(=O)O)CC1 Amb22756590 [0,0,0,1,0,0|1,0,0]=2 102 B12R1.256 NC(=S)N1CCC(C(=O)O)CC1 Amb28318136 [0,0,0,1,0,0|2,1,0]=4 103 B12R1.256 O=C(Cl)C1CCC(C(=O)Cl)CC1 Amb22489639 [0,0,0,1,0,0|2,0,0]=3 104 B12R1.256 O=C(O)C1=CCC(C(=O)O)CC1 Amb17594250 [0,0,0,1,0,0|0,0,2]=3 105 B12R1.256 O=C(O)C1=CCC(C(=O)O)NC1 Amb27864177 [0,0,0,1,0,0|1,0,2]=4 106 B12R1.256 O=C(O)C1=CC[C@@H](C(=O)O)NC1 Amb27195903 [0,0,0,1,0,0|1,0,2]=4 107 B12R1.256 O=C(O)C1=COC(C(=O)O)CC1 Amb27875089 [0,0,0,1,0,0|1,0,2]=4 108 B12R1.256 O=C(O)C1C=CC(C(=O)O)CC1 Amb28324600 [0,0,0,1,0,0|0,0,2]=3 109 B12R1.256 O=C(O)C1CCC(=C(F)F)CC1 Amb25951367 [0,0,0,1,0,0|2,0,1]=4 110 B12R1.256 O=C(O)C1CCC(C(=O)O)CC1 Amb6335834 [0,0,0,1,0,0|0,0,0]=1 111 B12R1.256 O=C(O)C1CCC(C(=O)O)NN1 Amb28246371 [0,0,0,1,0,0|2,0,0]=3 112 B12R1.256 O=C(O)C1CCC(C(=O)O)OC1 Amb27165843 [0,0,0,1,0,0|1,0,0]=2 113 B12R1.256 O=C(O)C1CCC(C(F)F)CC1 Amb26847816 [0,0,0,1,0,0|2,0,1]=4 114 B12R1.256 O=C(O)C1CCC([SH](=O)=O)CC1 Amb27406814 [0,0,0,1,0,0|1,0,1]=3 115 B12R1.256 O=C(O)C1CNC(C(=O)O)CN1 Amb30666623 [0,0,0,1,0,0|2,0,0]=3 116 B12R1.256 O=C(O)N1CCN(C(=O)O)CC1 Amb24060716 [0,0,0,1,0,0|2,0,0]=3 117 B12R1.256 O=C(O)[C@@H]1C=C[C@@H](C(=O)O)CC1 Amb27660119 [0,0,0,1,0,0|0,0,2]=3 118 B12R1.256 O=C(O)[C@@H]1CC[C@@H](C(=O)O)SS1 Amb28436718 [0,0,0,1,0,0|2,0,0]=3 119 B12R1.256 O=C(O)[C@H]1CC[C@@H](C(=O)O)CC1 Amb8629073 [0,0,0,1,0,0|0,0,0]=1 120 B12R1.256 O=C(O)[C@H]1CC[C@H](C(=O)O)CC1 Amb8392934 [0,0,0,1,0,0|0,0,0]=1 121 B12R1.256 O=C(O)[C@H]1CC[C@H](C(F)F)CC1 Amb25960962 [0,0,0,1,0,0|2,0,1]=4 122 B12R1.256 O=C(O)[C@H]1CS[C@H](C(=O)O)CS1 Amb28247093 [0,0,0,1,0,0|2,0,0]=3 123 B12R1.389 C=C(C)CN1CCC(C(=O)O)C1 Amb18302799 [0,0,0,1,0,0|3,0,0]=4 124 B12R1.389 CC(=O)CC1N[C@H](C(=O)O)CS1 Amb27865572 [0,0,0,1,0,0|3,0,0]=4 125 B12R1.389 CC(=O)N1CCC(CC(=O)O)C1 Amb27201689 [0,0,0,1,0,0|2,0,0]=3 126 B12R1.389 CC(=O)NC1CCC(C(=O)O)C1 Amb27878808 [0,0,0,1,0,0|2,0,0]=3 127 B12R1.389 CC(=O)NC1CCC(C(N)=O)C1 Amb28363828 [0,0,0,1,0,0|3,0,0]=4 128 B12R1.389 CC(=O)NC1CSC(C(=O)O)C1 Amb18190166 [0,0,0,1,0,0|3,0,0]=4 129 B12R1.389 CC(=O)OC1CCC(C(C)=O)C1 Amb27474332 [0,0,0,1,0,0|3,0,0]=4 130 B12R1.389 CC(=O)OC1CNC(C(=O)O)C1 Amb27400347 [0,0,0,1,0,0|3,0,0]=4 131 B12R1.389 CC(=O)OC1CN[C@H](C(=O)O)C1 Amb26505797 [0,0,0,1,0,0|3,0,0]=4 132 B12R1.389 CC(=O)O[C@H]1CN[C@H](C(=O)O)C1 Amb27221074 [0,0,0,1,0,0|3,0,0]=4 133 B12R1.389 CC(C)=C1CCC(CC(=O)O)C1 Amb27178211 [0,0,0,1,0,0|2,0,1]=4 134 B12R1.389 CS(=O)N[C@@H]1CC[C@H](C(=O)O)C1 Amb28345728 [0,0,0,1,0,0|3,0,0]=4 135 B12R1.389 NC(=O)CC1CCN(C(N)=O)C1 Amb27868440 [0,0,0,1,0,0|3,0,0]=4 136 B12R1.389 NC(=O)C[C@@H]1CCN(C(N)=O)C1 Amb27810877 [0,0,0,1,0,0|3,0,0]=4 137 B12R1.389 NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 Amb27241312 [0,0,0,1,0,0|2,0,0]=3 138 B12R1.389 NC(=O)OC1CN[C@H](C(=O)O)C1 Amb25975403 [0,0,0,1,0,0|3,0,0]=4 139 B12R1.389 O=C(O)C1CC(O[PH](=O)O)CN1 Amb27178290 [0,0,0,1,0,0|3,0,0]=4 140 B12R1.389 O=C(O)CC1CCC(C(=O)O)N1 Amb27794812 [0,0,0,1,0,0|1,0,0]=2 141 B12R1.389 O=C(O)CC1CNC(C(=O)O)C1 Amb27777232 [0,0,0,1,0,0|1,0,0]=2 142 B12R1.389 O=C(O)CC1NC[C@@H](C(=O)O)N1 Amb27664056 [0,0,0,1,0,0|2,0,0]=3 143 B12R1.389 O=C(O)C[C@@H]1CC[C@H](C(=O)O)O1 Amb27210580 [0,0,0,1,0,0|1,0,0]=2 144 B12R1.389 O=C(O)C[C@@H]1CN[C@@H](C(=O)O)C1 Amb28074205 [0,0,0,1,0,0|1,0,0]=2 145 B12R1.389 O=C(O)C[C@@H]1CN[C@H](C(=O)O)C1 Amb27248428 [0,0,0,1,0,0|1,0,0]=2 146 B12R1.389 O=C(O)C[C@H]1CN[C@@H](C(=O)O)C1 Amb27783409 [0,0,0,1,0,0|1,0,0]=2 147 B12R1.389 O=C(O)C[C@H]1CN[C@H](C(=O)O)C1 Amb24606860 [0,0,0,1,0,0|1,0,0]=2 148 B12R1.472 C=C1CCN(C(CC)C(=O)O)C1 Amb35637475 [0,0,0,1,0,0|3,0,0]=4 149 B12R1.472 CCC(C(=O)O)C1CCC(C)C1 Amb33165625 [0,0,0,1,0,0|2,0,1]=4 150 B12R1.472 CCC(C(=O)O)C1CC[C@@H](C)O1 Amb33423411 [0,0,0,1,0,0|1,0,1]=3 151 B12R1.472 CCC(C(=O)O)N1CCC(O)C1 Amb18302104 [0,0,0,1,0,0|2,0,1]=4 152 B12R1.472 CCC(C(=O)O)N1CC[C@@H](O)C1 Amb28370015 [0,0,0,1,0,0|2,0,1]=4 153 B12R1.472 CC[C@H](C(=O)O)[C@H]1CCC(=O)C1 Amb27863521 [0,0,0,1,0,0|1,0,0]=2 154 B12R1.472 C[C@@H]1CCC(C(CN)C(=O)O)O1 Amb33423424 [0,0,0,1,0,0|2,0,1]=4 155 B12R1.817 CCN1CCC(C(=O)O)S1(=O)=O Amb33041451 [0,0,0,1,0,0|2,0,1]=4 156 B12R1.901 C=C(C)C1CNC(C(=O)O)C1C Amb27408513 [0,0,0,1,0,0|3,0,0]=4 157 B12R1.901 CC1C(C(=O)O)CCC1C(=O)O Amb28071119 [0,0,0,1,0,0|0,0,0]=1 158 B12R1.901 CN1C(C(N)=O)CCC1C(=O)O Amb26376191 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.901 CN1[C@H](C(=O)O)CC[C@@H]1C(=O)O Amb24425366 [0,0,0,1,0,0|1,0,0]=2 160 B12R1.901 CN1[C@H](C(N)=O)CC[C@@H]1C(=O)O Amb35745801 [0,0,0,1,0,0|2,0,0]=3 161 B12R1.901 C[C@@H]1[C@@H](C(=O)O)CC[C@H]1C(=O)O Amb27598895 [0,0,0,1,0,0|0,0,0]=1 162 B12R1.901 O=C(O)C1CCC(C(=O)O)S1=O Amb27178288 [0,0,0,1,0,0|2,0,0]=3 163 B12R1.1015 CC1=CCCC(C(=O)O)CCC1 Amb27841410 [0,0,0,1,0,0|2,0,0]=3 164 B12R1.1015 NC1CCCC(C(=O)O)CCC1 Amb33347307 [0,0,0,1,0,0|2,0,1]=4 165 B12R1.1015 O=C(O)C1CCCC(O)CCC1 Amb27487862 [0,0,0,1,0,0|1,0,1]=3 166 B12R1.1023 C[C@]1(O)CCC[C@@H](C(=O)O)[C@@H]1Cl Amb28384155 [0,0,0,1,0,0|2,0,1]=4 167 B12R1.1804 CC(=O)CCN1CCC1C(N)=O Amb33251319 [0,0,0,1,0,0|3,0,0]=4 168 B12R1.1804 NC(=O)C1CCN1CCC(=O)O Amb33251344 [0,0,0,1,0,0|2,0,0]=3 169 B12R1.1804 NC(=O)CCN1CCC1C(N)=O Amb33251166 [0,0,0,1,0,0|3,0,0]=4 170 B12R1.2734 C[C@@H]1[C@@H](\C=C\C(=O)O)[C@@H]1C(=O)O Amb27614428 [0,0,0,1,0,0|0,0,2]=3 171 B12R1.3092 CC(=O)C1CCCS(=O)(=O)CC1 Amb35673029 [0,0,0,1,0,0|2,0,1]=4 172 B12R1.3092 CC1(C)CCCC(C(=O)O)CC1 Amb26080282 [0,0,0,1,0,0|2,0,1]=4 173 B12R1.3092 C[Si]1(C)CCCC(C(=O)O)CC1 Amb29837989 [0,0,0,1,0,0|2,1,0]=4 174 B12R1.3092 O=C(O)C1CCCC(F)(F)CC1 Amb33620729 [0,0,0,1,0,0|2,0,1]=4 175 B12R1.3092 O=C(O)C1CCCS(=O)(=O)CC1 Amb35691368 [0,0,0,1,0,0|1,0,1]=3 176 B12R1.3582 CN(C)CCCC1(C(=O)O)CC1 Amb33272256 [0,0,0,1,0,0|3,0,0]=4 177 B12R1.3846 CCC1(C(=O)O)CCCC1(F)F Amb32949984 [0,0,0,1,0,0|2,0,1]=4 178 B12R1.3846 CCC1(C(=O)O)CCCS1(=O)=O Amb32696072 [0,0,0,1,0,0|1,0,1]=3 179 B12R1.3858 C=C(C)[C@@]1(CC)CCCC(=O)C1 Amb28144210 [0,0,0,1,0,0|3,0,0]=4 180 B12R1.3858 C=C1CCCC(OC)(C(=O)O)C1 Amb26849682 [0,0,0,1,0,0|3,0,0]=4 181 B12R1.3858 CCC1(C(=O)O)CCCC(C)C1 Amb27796832 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.3858 CCC1(C(=O)O)CCNC(=O)C1 Amb32723926 [0,0,0,1,0,0|2,0,0]=3 183 B12R1.3858 CNC1(C(=O)O)CCCC(O)C1 Amb29867585 [0,0,0,1,0,0|2,0,1]=4 184 B12R1.3858 N#CC1(C(=O)O)CCCC(=O)C1 Amb27147389 [0,0,0,1,0,0|2,0,1]=4 185 B10R0.84 CCC(CCN(C)C)C(=O)O Amb33273732 [0,0,0,0,1,0|3,0,0]=4 186 B10R0.84 CCC(SCC(=O)O)C(=O)O Amb17501325 [0,0,0,0,1,0|1,0,0]=2 187 B10R0.84 CCC(SCC(N)=O)C(=O)O Amb17501319 [0,0,0,0,1,0|2,0,0]=3 188 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb13884885 [0,0,0,0,1,0|1,0,0]=2 189 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb24117978 [0,0,0,0,1,0|1,0,0]=2 190 B10R0.84 COC(CNC(C)=O)C(=O)O Amb27269110 [0,0,0,0,1,0|3,0,0]=4 191 B10R0.84 COC(CNC(N)=O)C(=O)O Amb27269111 [0,0,0,0,1,0|3,0,0]=4 192 B10R0.84 N#CC(CCC(=O)O)C(=O)O Amb27990272 [0,0,0,0,1,0|1,0,1]=3 193 B12R0.238 CCC(SCCCC(=O)O)C(=O)O Amb17501368 [0,0,0,0,0,1|0,0,0]=1 194 B9R0.1 C#CC(C)CCCC(=O)O Amb27273525 [2,0,0,0,0,0|1,0,1]=4 195 B9R0.1 C=C(C)CCC[C@H](C)C=O Amb27230540 [2,0,0,0,0,0|2,0,0]=4 196 B9R0.1 C=C(CC)CNCC(=O)O Amb27661467 [2,0,0,0,0,0|1,0,1]=4 197 B9R0.1 C=CC(C)CCCC(C)=O Amb27596967 [2,0,0,0,0,0|2,0,0]=4 198 B9R0.1 C=CC(C)COCC(=O)O Amb27831618 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.1 C=CC(C)OCCC(=O)O Amb27404617 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.1 C=C[C@@H](C)CCCC(C)=O Amb24379305 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.1 CC(=O)CCC[C@@H](C)CO Amb26391997 [2,0,0,0,0,0|1,0,1]=4 202 B9R0.1 CC(=O)CCC[C@@H](Cl)C=O Amb28396498 [2,0,0,0,0,0|2,0,0]=4 203 B9R0.1 CC(=O)OCCC(C)C=O Amb28387659 [2,0,0,0,0,0|2,0,0]=4 204 B9R0.1 CC(C#N)CCCC(=O)O Amb18643710 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [2,0,0,0,0,0|0,0,0]=2 206 B9R0.1 CC(C=O)CCCS(C)=O Amb28142475 [2,0,0,0,0,0|2,0,0]=4 207 B9R0.1 CC(CN)CCCC(=O)O Amb27592530 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.1 CC(CO)CNCC(=O)O Amb28246419 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.1 CC(CO)COCC(=O)O Amb28280816 [2,0,0,0,0,0|1,0,1]=4 210 B9R0.1 CC(CO)CSCC(=O)O Amb28365901 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [2,0,0,0,0,0|1,0,1]=4 212 B9R0.1 CCC(=O)OCCC(=O)O Amb26597385 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.1 CCC(=O)SCCC(=O)O Amb27657281 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.1 CCC(C)CCCC(=O)O Amb18124682 [2,0,0,0,0,0|0,0,1]=3 215 B9R0.1 CCC(C)CCCC(C)=O Amb24424926 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.1 CCC(C)COCC(=O)O Amb28368866 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.1 CCC(C)OCCC(=O)O Amb27947378 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.1 CCC(O)CC#CC(=O)O Amb27461426 [2,0,0,0,0,0|0,0,2]=4 219 B9R0.1 CCC(O)CCCB(O)O Amb26967521 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.1 CCC(O)CCCC(=O)O Amb18644263 [2,0,0,0,0,0|0,0,0]=2 221 B9R0.1 CCC(O)CCNC(N)=O Amb27262212 [2,0,0,0,0,0|2,0,0]=4 222 B9R0.1 CCC(O)CSCC(=O)O Amb18792573 [2,0,0,0,0,0|1,0,0]=3 223 B9R0.1 CCN(O)CCCC(=O)O Amb27630754 [2,0,0,0,0,0|1,0,0]=3 224 B9R0.1 CC[C@@H](O)CCCC(C)=O Amb27227255 [2,0,0,0,0,0|1,0,0]=3 225 B9R0.1 CC[C@@H](O)CNCC(N)=O Amb27226499 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.1 CC[C@@H](O)CSCC(N)=O Amb28202586 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.1 CC[C@H](C)CCCC(=O)O Amb28313011 [2,0,0,0,0,0|0,0,1]=3 228 B9R0.1 CN(CCCC(=O)O)N=O Amb17618588 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.1 COC(=O)CCCC(=O)O Amb2720900 [2,0,0,0,0,0|1,0,1]=4 230 B9R0.1 C\C(CCCC(=O)O)=N/O Amb27779283 [2,0,0,0,0,0|1,0,1]=4 231 B9R0.1 NC(CO)CCCC(=O)O Amb25889148 [2,0,0,0,0,0|1,0,1]=4 232 B9R0.1 NCC(=O)CCCC(=O)O Amb22035333 [2,0,0,0,0,0|1,0,1]=4 233 B9R0.1 NC[C@@H](N)CCCC(=O)O Amb33756779 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.1 N[C@H](CO)CCCC(=O)O Amb27751891 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.1 O=C(O)CCCC(=O)CO Amb27493969 [2,0,0,0,0,0|1,0,1]=4 236 B9R0.1 O=C(O)CCCC(Cl)CCl Amb18649051 [2,0,0,0,0,0|2,0,0]=4 237 B9R0.1 O=C(O)CSCC(O)CCl Amb27858669 [2,0,0,0,0,0|2,0,0]=4 238 B9R0.1 O=CN(O)CCCC(=O)O Amb25320259 [2,0,0,0,0,0|2,0,0]=4 239 B9R0.50 C=CCCC[C@@H](C=O)OC Amb28049854 [2,0,0,0,0,0|2,0,0]=4 240 B9R0.50 CCC(C=O)CCCC=O Amb27262880 [2,0,0,0,0,0|0,0,0]=2 241 B9R0.50 CCC(CC)CCCC=O Amb26063318 [2,0,0,0,0,0|1,0,1]=4 242 B9R0.50 CCC(CCCC=O)OC Amb33325430 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.50 CCC(CO)CCCCO Amb27770514 [2,0,0,0,0,0|0,0,2]=4 244 B9R0.50 CCCCCC(C=O)CC Amb25883306 [2,0,0,0,0,0|1,0,1]=4 245 B9R0.50 CCCCC[C@@H](C=O)CC Amb27792864 [2,0,0,0,0,0|1,0,1]=4 246 B9R0.13 C=CCCC(CC)C(=O)O Amb28050061 [2,0,0,0,0,0|0,0,1]=3 247 B9R0.13 C=CCCC(OC)C(=O)O Amb28388453 [2,0,0,0,0,0|1,0,1]=4 248 B9R0.13 C=CCC[C@@H](CC)C(=O)O Amb27595843 [2,0,0,0,0,0|0,0,1]=3 249 B9R0.13 C=CCSC(CC)C(=O)O Amb17501342 [2,0,0,0,0,0|1,0,1]=4 250 B9R0.13 CCC(CCC=O)C(=O)O Amb27216961 [2,0,0,0,0,0|0,0,0]=2 251 B9R0.13 CCC(CCCO)C(C)O Amb27972744 [2,0,0,0,0,0|1,0,1]=4 252 B9R0.13 CCC(CCOC)C(=O)O Amb25289946 [2,0,0,0,0,0|1,0,1]=4 253 B9R0.13 CCC(CCSC)C(=O)O Amb24373794 [2,0,0,0,0,0|1,0,1]=4 254 B9R0.13 CCC(CN=C=O)C(=O)O Amb33471373 [2,0,0,0,0,0|1,0,1]=4 255 B9R0.13 CCC(C\C=N\O)C(=O)O Amb28429826 [2,0,0,0,0,0|1,0,1]=4 256 B9R0.13 CCC(NCCF)C(=O)O Amb27427562 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.13 CCC(NCCN)C(=O)O Amb28061779 [2,0,0,0,0,0|2,0,0]=4 258 B9R0.13 CCC(NCCO)C(=O)O Amb18115226 [2,0,0,0,0,0|1,0,0]=3 259 B9R0.13 CCC(OCCN)C(=O)O Amb18111197 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.13 CCC(SCCN)C(=O)O Amb18788222 [2,0,0,0,0,0|2,0,0]=4 261 B9R0.13 CCC(SCCO)C(N)=O Amb18788232 [2,0,0,0,0,0|2,0,0]=4 262 B9R0.13 CCCCC(CBr)C(=O)O Amb27799965 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.13 CCCCC(CC)C(=O)Cl Amb3939067 [2,0,0,0,0,0|1,0,1]=4 264 B9R0.13 CCCCC(CC)C(=O)O Amb3939821 [2,0,0,0,0,0|0,0,1]=3 265 B9R0.13 CCCCC(CC)C(=O)[O-] Amb22043361 [2,0,0,0,0,0|0,0,2]=4 266 B9R0.13 CCCCC(CC)C(=O)[O-] Amb22053863 [2,0,0,0,0,0|0,0,2]=4 267 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8387188 [2,0,0,0,0,0|0,0,2]=4 268 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8387190 [2,0,0,0,0,0|0,0,2]=4 269 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8515519 [2,0,0,0,0,0|0,0,2]=4 270 B9R0.13 CCCCC(CC)C(=O)[O-] Amb8516528 [2,0,0,0,0,0|0,0,2]=4 271 B9R0.13 CCCCC(CC)C(N)=O Amb3886579 [2,0,0,0,0,0|1,0,1]=4 272 B9R0.13 CCCCC(CN)C(=O)O Amb26978768 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.13 CCCCC(CO)C(=O)O Amb27834958 [2,0,0,0,0,0|1,0,1]=4 274 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [2,0,0,0,0,0|1,0,1]=4 275 B9R0.13 CCCCC(OC)C(=O)O Amb25889001 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.13 CCCC[C@@H](CC)C(=O)O Amb28398235 [2,0,0,0,0,0|0,0,1]=3 277 B9R0.13 CCCC[C@@H](CC)C(C)=O Amb27973070 [2,0,0,0,0,0|1,0,1]=4 278 B9R0.13 CCCC[C@@H](CN)C(=O)O Amb27812140 [2,0,0,0,0,0|1,0,1]=4 279 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [2,0,0,0,0,0|1,0,1]=4 280 B9R0.13 CCCC[C@H](CC)C(=O)O Amb24671282 [2,0,0,0,0,0|0,0,1]=3 281 B9R0.13 CCCC[C@H](CO)C(=O)O Amb16232529 [2,0,0,0,0,0|1,0,1]=4 282 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [2,0,0,0,0,0|1,0,1]=4 283 B9R0.13 CCCOC(CC)C(=O)O Amb9675479 [2,0,0,0,0,0|1,0,1]=4 284 B9R0.13 CCCSC(CC)C(=O)O Amb9675504 [2,0,0,0,0,0|1,0,1]=4 285 B9R0.13 CCSCC(CC)C(=O)O Amb24482439 [2,0,0,0,0,0|1,0,1]=4 286 B9R0.13 CNC(CCCN)C(=O)O Amb18644280 [2,0,0,0,0,0|2,0,0]=4 287 B9R0.13 CN[C@H](CCCN)C(=O)O Amb28060751 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.13 COC(CCCF)C(=O)O Amb33196102 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.13 C\C=C\CC(CC)C(=O)O Amb18643880 [2,0,0,0,0,0|1,0,1]=4 290 B9R0.13 NCC(SCCO)C(=O)O Amb27233935 [2,0,0,0,0,0|2,0,0]=4 291 B9R0.13 NCCCC(CS)C(=O)O Amb28458435 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.13 O=C(O)C(CO)SCCO Amb28196797 [2,0,0,0,0,0|2,0,0]=4 293 B9R0.13 O=C(O)C(CS)NCCO Amb27454918 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.13 O=C(O)[C@H](CS)NCCO Amb27617120 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.47 C=CCCCC(C)C(C)=O Amb27839019 [2,0,0,0,0,0|2,0,0]=4 296 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [2,0,0,0,0,0|2,0,0]=4 297 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [2,0,0,0,0,0|2,0,0]=4 299 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [2,0,0,0,0,0|2,0,0]=4 300 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [2,0,0,0,0,0|2,0,0]=4 301 B9R0.47 C=CCCOC(C)C(=O)O Amb9208711 [2,0,0,0,0,0|2,0,0]=4 302 B9R0.47 C=CCCO[C@@H](C)C(=O)O Amb27254188 [2,0,0,0,0,0|2,0,0]=4 303 B9R0.47 C=CCCO[C@H](C)C(=O)O Amb27976475 [2,0,0,0,0,0|2,0,0]=4 304 B9R0.47 C=CCSCC(C)C(=O)O Amb27813038 [2,0,0,0,0,0|2,0,0]=4 305 B9R0.47 C=CCSC[C@@H](C)C(=O)O Amb27955284 [2,0,0,0,0,0|2,0,0]=4 306 B9R0.47 CC(=O)C(C)CCCCO Amb27787398 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.47 CC(CCCCBr)C(=O)O Amb27790626 [2,0,0,0,0,0|1,0,1]=4 308 B9R0.47 CC(CCCCF)C(=O)O Amb24370978 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.47 CC(CCCCN)C(=O)O Amb31031269 [2,0,0,0,0,0|1,0,1]=4 310 B9R0.47 CC(CCCCO)C(=O)O Amb28040862 [2,0,0,0,0,0|0,0,1]=3 311 B9R0.47 CC(CCN=C=O)C(=O)O Amb33471413 [2,0,0,0,0,0|1,0,1]=4 312 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [2,0,0,0,0,0|1,0,0]=3 313 B9R0.47 CCCCC[C@H](C)C(=O)O Amb10844510 [2,0,0,0,0,0|1,0,1]=4 314 B9R0.47 COCCCC(C)C(=O)O Amb26653888 [2,0,0,0,0,0|2,0,0]=4 315 B9R0.47 CSCCCC(C)C(=O)O Amb25888073 [2,0,0,0,0,0|2,0,0]=4 316 B9R0.47 C[C@@H](CCCCBr)C(=O)O Amb27794794 [2,0,0,0,0,0|1,0,1]=4 317 B9R0.47 C[C@H](NCCCO)C(=O)O Amb27454333 [2,0,0,0,0,0|1,0,1]=4 318 B9R0.47 C\C=C\CCC(C)C(=O)O Amb27461427 [2,0,0,0,0,0|1,0,1]=4 319 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [2,0,0,0,0,0|1,0,0]=3 321 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [2,0,0,0,0,0|2,0,0]=4 323 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [2,0,0,0,0,0|2,0,0]=4 324 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [2,0,0,0,0,0|1,0,0]=3 325 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [2,0,0,0,0,0|1,0,1]=4 326 B9R0.47 O=C(O)C(O)CCCCO Amb18644356 [2,0,0,0,0,0|1,0,1]=4 327 B9R0.55 C=C(F)CCCCC(=O)O Amb27949889 [2,0,0,0,0,0|2,0,0]=4 328 B9R0.55 CC(=O)CCCCC(=O)O Amb3939946 [2,0,0,0,0,0|1,0,0]=3 329 B9R0.55 CC(=O)CCCCC(C)=O Amb17593600 [2,0,0,0,0,0|2,0,0]=4 330 B9R0.55 CC(=O)CCNCC(=O)O Amb32675828 [2,0,0,0,0,0|2,0,0]=4 331 B9R0.55 CC(=O)CCOCC(=O)O Amb27241199 [2,0,0,0,0,0|2,0,0]=4 332 B9R0.55 CC(=O)CCSCC(=O)O Amb24443138 [2,0,0,0,0,0|2,0,0]=4 333 B9R0.55 CC(=O)NCCCC(=O)O Amb2778749 [2,0,0,0,0,0|2,0,0]=4 334 B9R0.55 CC(=O)OCCCC(=O)O Amb24480808 [2,0,0,0,0,0|2,0,0]=4 335 B9R0.55 CC(=O)SCCCC(=O)O Amb26356321 [2,0,0,0,0,0|2,0,0]=4 336 B9R0.55 CS(=O)CCCCC(=O)O Amb18788305 [2,0,0,0,0,0|2,0,0]=4 337 B9R0.55 NC(=O)CCCCC(=O)O Amb9391119 [2,0,0,0,0,0|1,0,0]=3 338 B9R0.55 NC(=O)CCCCC(N)=O Amb2793081 [2,0,0,0,0,0|2,0,0]=4 339 B9R0.55 NC(=O)CSCCC(=O)O Amb6664956 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.55 NC(=O)NCCCC(=O)O Amb1104859 [2,0,0,0,0,0|2,0,0]=4 341 B9R0.55 O=C(Cl)CCCCC(=O)Cl Amb3940243 [2,0,0,0,0,0|2,0,0]=4 342 B9R0.55 O=C(O)C#CCCC(=O)O Amb28050167 [2,0,0,0,0,0|0,0,2]=4 343 B9R0.55 O=C(O)CCCCC(=O)Cl Amb27614847 [2,0,0,0,0,0|1,0,0]=3 344 B9R0.55 O=C(O)CCCCC(=O)O Amb22167453 [2,0,0,0,0,0|0,0,0]=2 345 B9R0.55 O=C(O)CCCCC(=O)O Amb22336279 [2,0,0,0,0,0|0,0,0]=2 346 B9R0.55 O=C(O)CCCCC(=O)O Amb2793031 [2,0,0,0,0,0|0,0,0]=2 347 B9R0.55 O=C(O)CCCCC(O)O Amb28143854 [2,0,0,0,0,0|0,0,2]=4 348 B9R0.55 O=C(O)CCNCC(=O)O Amb18098292 [2,0,0,0,0,0|1,0,0]=3 349 B9R0.55 O=C(O)CNNCC(=O)O Amb23438062 [2,0,0,0,0,0|2,0,0]=4 350 B9R0.55 O=C(O)CSSCC(=O)O Amb8395267 [2,0,0,0,0,0|2,0,0]=4 351 B9R0.55 O=C(O)C\C=C\CC(=O)O Amb4037278 [2,0,0,0,0,0|0,0,2]=4 352 B9R0.55 O=C(O)C\N=N/CC(=O)O Amb28188728 [2,0,0,0,0,0|2,0,0]=4 353 B9R0.55 O=C(O)C\N=N\CC(=O)O Amb27882019 [2,0,0,0,0,0|2,0,0]=4 354 B9R0.55 O=C(O)\C=C\CCC(=O)O Amb20622952 [2,0,0,0,0,0|0,0,2]=4 355 B9R0.55 O=C([O-])CCCCC(=O)[O-] Amb22168121 [2,0,0,0,0,0|0,0,2]=4 356 B11R0.21 CCC(CC)CCC(C)C(=O)O Amb33449849 [1,1,0,0,0,0|1,0,1]=4 357 B11R0.21 CCC(CCC(C)C(=O)O)OC Amb33325431 [1,1,0,0,0,0|2,0,0]=4 358 B11R0.45 CCN(CCO)CCCC(=O)O Amb5768362 [1,1,0,0,0,0|1,0,1]=4 359 B11R0.171 CCC(CC)C(N)CCC(=O)O Amb33313814 [1,1,0,0,0,0|1,0,1]=4 360 B11R0.171 CCC(OC)C(N)CCC(=O)O Amb33320165 [1,1,0,0,0,0|2,0,0]=4 361 B11R0.76 CCCCCCC(CC)C(=O)O Amb18794406 [1,1,0,0,0,0|1,0,1]=4 362 B11R0.78 CCCC(CCCCN)C(=O)O Amb28653062 [1,1,0,0,0,0|1,0,1]=4 363 B11R0.78 CCCC(CCCCN)C(=O)O Amb8506428 [1,1,0,0,0,0|1,0,1]=4 364 B11R0.78 CCCCCC(CCC)C(=O)O Amb18794407 [1,1,0,0,0,0|1,0,1]=4 365 B11R0.153 CCCCCC(C(=O)O)C(C)C Amb18794409 [1,1,0,0,0,0|1,0,1]=4 366 B11R0.329 CCCCCC(C)(CC)C(=O)O Amb18803025 [1,1,0,0,0,0|1,0,1]=4 367 B11R0.109 CCC(=O)CCCC(N)C(=O)O Amb33036923 [1,1,0,0,0,0|2,0,0]=4 368 B11R0.109 CCC(=O)CCC[C@@H](N)C(=O)O Amb32864919 [1,1,0,0,0,0|2,0,0]=4 369 B11R0.109 CCC(=O)CCC[C@H](N)C(=O)O Amb33309055 [1,1,0,0,0,0|2,0,0]=4 370 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O Amb13884888 [1,1,0,0,0,0|1,0,0]=3 371 B11R0.109 COC(=O)CSCC(N)C(=O)O Amb6273780 [1,1,0,0,0,0|2,0,0]=4 372 B11R0.145 COC(=O)C(N)CCCC(C)=O Amb33065910 [1,1,0,0,0,0|2,0,0]=4 373 B11R0.145 COC(=O)N(C)CCCC(=O)O Amb33531921 [1,1,0,0,0,0|1,0,0]=3 374 B11R0.150 C=C(CCC(C)C(=O)O)C(=O)O Amb24065778 [1,1,0,0,0,0|0,0,1]=3 375 B11R0.150 CC(C#CC(C)C(=O)O)C(=O)O Amb27858793 [1,1,0,0,0,0|0,0,2]=4 376 B11R0.150 CC(SCC(=O)C(=O)O)C(=O)O Amb33069696 [1,1,0,0,0,0|1,0,1]=4 377 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [1,1,0,0,0,0|1,0,0]=3 378 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [1,1,0,0,0,0|1,0,0]=3 379 B11R0.173 CC(C(=O)O)N(C)CCC(=O)O Amb17561090 [1,1,0,0,0,0|1,0,0]=3 380 B11R0.202 CC(C)(SCCC(=O)O)C(=O)O Amb17501236 [1,1,0,0,0,0|1,0,0]=3 381 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O Amb5722335 [1,1,0,0,0,0|2,0,0]=4 382 B11R0.318 NC(CCCS(=O)(=O)O)C(=O)O Amb33066081 [1,1,0,0,0,0|2,0,0]=4 383 B11R0.318 N[C@@H](CCCS(=O)(=O)O)C(=O)O Amb33066176 [1,1,0,0,0,0|2,0,0]=4 384 B11R0.318 N[C@H](CCCS(=O)(=O)O)C(=O)O Amb33065642 [1,1,0,0,0,0|2,0,0]=4 385 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [0,1,0,0,1,0|1,0,0]=3 386 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674919 [0,1,0,0,1,0|0,0,0]=2 387 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674947 [0,1,0,0,1,0|0,0,0]=2 388 B11R0.146 CC(=O)N(CCO)CCC(=O)O Amb18609318 [0,1,0,0,1,0|2,0,0]=4 389 B11R0.146 CCCC(CCC(C)=O)C(=O)O Amb533087 [0,1,0,0,1,0|1,0,0]=3 390 B11R0.146 CCCN(CCC(=O)O)C(C)=O Amb18611638 [0,1,0,0,1,0|2,0,0]=4 391 B11R0.146 CCN[C@@H](CCC(N)=O)C(=O)O Amb16232996 [0,1,0,0,1,0|1,0,0]=3 392 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [0,1,0,0,1,0|0,0,0]=2 393 B11R0.275 CCC(SC(C)C(=O)O)C(=O)O Amb17501326 [0,1,0,0,1,0|1,0,0]=3 394 B13R0.441 CC(C)C(SCCCC(=O)O)C(=O)O Amb17503909 [0,1,0,0,0,1|0,0,0]=2 395 B13R0.352 CC(CCC(C(=O)O)C(C)C)C(=O)O Amb17777882 [0,2,0,0,0,0|0,0,0]=2 396 B13R0.690 CCCC(CCCS(C)(=O)=O)C(=O)O Amb33313447 [0,2,0,0,0,0|1,0,1]=4 397 B13R0.1298 COCCC(CCCC(=O)O)C(=O)O Amb32652001 [0,2,0,0,0,0|0,0,0]=2 398 B13R0.1389 CCC(NCC(F)(F)C(=O)O)C(N)=O Amb33170956 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.3 C#CC1CCC(C(=O)O)CC1 Amb26456299 [1,0,0,1,0,0|1,0,1]=4 400 B11R1.3 C=C(C)[C@H]1CC[C@H](C=O)CC1 Amb27848126 [1,0,0,1,0,0|2,0,0]=4 401 B11R1.3 C=CC1CCC(C(=O)O)CC1 Amb25027907 [1,0,0,1,0,0|1,0,0]=3 402 B11R1.3 CC(=O)N1CCC(C=O)CC1 Amb17080381 [1,0,0,1,0,0|2,0,0]=4 403 B11R1.3 CCC1CCC(C(=O)O)CC1 Amb2413128 [1,0,0,1,0,0|1,0,1]=4 404 B11R1.3 CCC1CCC(C(=O)O)CN1 Amb25848341 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.3 CCC1CCC(C(=O)O)NC1 Amb18126073 [1,0,0,1,0,0|1,0,1]=4 406 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 Amb9786888 [1,0,0,1,0,0|1,0,1]=4 407 B11R1.3 CNC1CCC(C(=O)O)CC1 Amb18949863 [1,0,0,1,0,0|2,0,0]=4 408 B11R1.3 CNC1CCC(C(=O)O)CC1 Amb34913416 [1,0,0,1,0,0|2,0,0]=4 409 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 Amb27984750 [1,0,0,1,0,0|2,0,0]=4 410 B11R1.3 COC1CCC(C(=O)O)CC1 Amb3939863 [1,0,0,1,0,0|2,0,0]=4 411 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 Amb27760413 [1,0,0,1,0,0|2,0,0]=4 412 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 Amb24183374 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.3 CSC1CCC(C(=O)O)CC1 Amb28292503 [1,0,0,1,0,0|2,0,0]=4 414 B11R1.3 N#CC1CCC(C(=O)O)CC1 Amb18125541 [1,0,0,1,0,0|1,0,1]=4 415 B11R1.3 N#C[C@H]1CC[C@@H](C(=O)O)CC1 Amb24740677 [1,0,0,1,0,0|1,0,1]=4 416 B11R1.3 N#C[C@H]1CC[C@H](C(=O)O)CC1 Amb28381399 [1,0,0,1,0,0|1,0,1]=4 417 B11R1.3 NCC1CCC(C(=O)O)CC1 Amb3940763 [1,0,0,1,0,0|1,0,1]=4 418 B11R1.3 NC[C@@H]1CC[C@@H](C(=O)O)OC1 Amb27658954 [1,0,0,1,0,0|1,0,1]=4 419 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 Amb17620787 [1,0,0,1,0,0|1,0,1]=4 420 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 Amb540893 [1,0,0,1,0,0|1,0,1]=4 421 B11R1.3 NN[C@H]1CC[C@H](C(=O)O)CC1 Amb27944771 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.3 O=C(Cl)[C@H]1CC[C@H](CO)CC1 Amb27829888 [1,0,0,1,0,0|1,0,1]=4 423 B11R1.3 O=C(O)C1CCC(CO)CC1 Amb7089021 [1,0,0,1,0,0|0,0,1]=3 424 B11R1.3 O=C(O)C1CCC(CO)NC1 Amb27880322 [1,0,0,1,0,0|1,0,1]=4 425 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 Amb28254647 [1,0,0,1,0,0|0,0,1]=3 426 B11R1.3 O=C(O)[C@H]1CC[C@H](CF)CC1 Amb25351015 [1,0,0,1,0,0|1,0,1]=4 427 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 Amb22750650 [1,0,0,1,0,0|0,0,1]=3 428 B11R1.3 O=CN1CCC(C(=O)Cl)CC1 Amb8383631 [1,0,0,1,0,0|2,0,0]=4 429 B11R1.3 O=CN1CCC(C(=O)O)CC1 Amb2688606 [1,0,0,1,0,0|1,0,0]=3 430 B11R1.3 O=C[C@H]1CC[C@H](C(=O)O)CC1 Amb25909662 [1,0,0,1,0,0|0,0,0]=2 431 B11R1.43 CC(=O)OC1CCC(C=O)C1 Amb28130460 [1,0,0,1,0,0|2,0,0]=4 432 B11R1.43 CCC1CC(CC(=O)O)CO1 Amb35633941 [1,0,0,1,0,0|2,0,0]=4 433 B11R1.43 N#CC1CCC(CC(=O)O)C1 Amb18201140 [1,0,0,1,0,0|1,0,1]=4 434 B11R1.43 NC(=O)CC1CCN(C=O)C1 Amb29872308 [1,0,0,1,0,0|2,0,0]=4 435 B11R1.43 NCC1CCC(CC(=O)O)C1 Amb32681887 [1,0,0,1,0,0|1,0,1]=4 436 B11R1.43 O=C(O)CC1CC\C(=N/O)C1 Amb32415691 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.43 O=C(O)CN1CCC(CO)C1 Amb18296497 [1,0,0,1,0,0|1,0,1]=4 438 B11R1.43 O=CC1CCC(CC(=O)O)O1 Amb27238572 [1,0,0,1,0,0|1,0,0]=3 439 B11R1.43 O=C[C@H]1CC[C@@H](CC(=O)O)O1 Amb27476761 [1,0,0,1,0,0|1,0,0]=3 440 B11R1.161 CC1CCC1CCCC(=O)O Amb27266949 [1,0,0,1,0,0|1,0,1]=4 441 B11R1.172 O=C(O)CCCC1=CCCC1 Amb18125777 [1,0,0,1,0,0|1,0,1]=4 442 B11R1.172 O=C(O)CCCC1CCCC1 Amb19149142 [1,0,0,1,0,0|1,0,1]=4 443 B11R1.172 O=C(O)CCCC1CCCN1 Amb18199969 [1,0,0,1,0,0|2,0,0]=4 444 B11R1.172 O=C(O)CCCC1CCCO1 Amb26990705 [1,0,0,1,0,0|2,0,0]=4 445 B11R1.172 O=C(O)CCCC1CCCS1 Amb26659241 [1,0,0,1,0,0|2,0,0]=4 446 B11R1.172 O=C(O)CCCC1CCOC1 Amb24755490 [1,0,0,1,0,0|0,0,1]=3 447 B11R1.172 O=C(O)CCCC1CCSC1 Amb27989571 [1,0,0,1,0,0|0,1,1]=4 448 B11R1.172 O=C(O)CCOC1CCOC1 Amb27271540 [1,0,0,1,0,0|1,0,1]=4 449 B11R1.172 O=C(O)CCSC1CCOC1 Amb27271544 [1,0,0,1,0,0|1,0,1]=4 450 B11R1.172 O=C(O)CNCC1CCOC1 Amb8827655 [1,0,0,1,0,0|1,0,1]=4 451 B11R1.172 O=C(O)COCC1CCOC1 Amb18307774 [1,0,0,1,0,0|1,0,1]=4 452 B11R1.247 O=C1CCCC(CO)CCC1 Amb28202364 [1,0,0,1,0,0|1,0,1]=4 453 B11R1.271 CC(=O)OC[C@@H]1CC[C@@H]1C=O Amb25383270 [1,0,0,1,0,0|2,0,0]=4 454 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1C=O Amb25383269 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.271 CC(=O)OC[C@H]1CC[C@H]1C=O Amb25383267 [1,0,0,1,0,0|2,0,0]=4 456 B11R1.473 C=CC1CCC(C(=O)O)C1C Amb24355854 [1,0,0,1,0,0|1,0,0]=3 457 B11R1.473 CCC1CCC(C(=O)O)C1N Amb27596871 [1,0,0,1,0,0|1,0,1]=4 458 B11R1.473 CCN1CCC(C(C)=O)C1=O Amb27630227 [1,0,0,1,0,0|2,0,0]=4 459 B11R1.473 CC[C@@H]1CC[C@@H](C(=O)O)[C@H]1N Amb28052145 [1,0,0,1,0,0|1,0,1]=4 460 B11R1.682 CCC(CC)C1CC1C(=O)O Amb18796998 [1,0,0,1,0,0|1,0,1]=4 461 B11R1.682 CCC(CC)[C@@H]1C[C@H]1C(=O)O Amb33313809 [1,0,0,1,0,0|1,0,1]=4 462 B11R1.682 CCC(OC)C1CC1C(=O)O Amb24763057 [1,0,0,1,0,0|2,0,0]=4 463 B11R1.682 CCC(OC)[C@@H]1C[C@H]1C(=O)O Amb33320141 [1,0,0,1,0,0|2,0,0]=4 464 B11R1.950 O=CC1CCCS(=O)(=O)CC1 Amb35673027 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.124 C=CC[C@@H]1CC[C@H](C(=O)O)N1 Amb28249783 [1,0,0,1,0,0|2,0,0]=4 466 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 Amb26551150 [1,0,0,1,0,0|2,0,0]=4 467 B11R1.124 COCC1CCC(C(=O)O)C1 Amb25780193 [1,0,0,1,0,0|2,0,0]=4 468 B11R1.124 COC[C@@H]1CC[C@H](C(=O)O)C1 Amb27768044 [1,0,0,1,0,0|2,0,0]=4 469 B11R1.124 COC[C@H]1CC[C@@H](C(=O)O)C1 Amb27781461 [1,0,0,1,0,0|2,0,0]=4 470 B11R1.124 C\C=C\C1CCC(C(=O)O)C1 Amb27878751 [1,0,0,1,0,0|1,0,1]=4 471 B11R1.124 O=C(O)C1CCC(CNO)O1 Amb27478942 [1,0,0,1,0,0|2,0,0]=4 472 B11R1.124 O=C=N[C@H]1CC[C@@H](C(=O)O)C1 Amb27419967 [1,0,0,1,0,0|1,0,1]=4 473 B11R1.143 CC1NCCCCC1C(=O)O Amb27597000 [1,0,0,1,0,0|1,0,1]=4 474 B11R1.143 C[C@@H]1NCCCC[C@H]1C(=O)O Amb18199981 [1,0,0,1,0,0|1,0,1]=4 475 B11R1.143 C[C@H]1NCCCC[C@@H]1C(=O)O Amb27420245 [1,0,0,1,0,0|1,0,1]=4 476 B11R1.159 CC(=O)[C@H]1CCCC(=O)[C@@H]1C Amb28194631 [1,0,0,1,0,0|1,0,0]=3 477 B11R1.159 CC1=C(C(=O)O)CCCC1=O Amb18125678 [1,0,0,1,0,0|0,0,2]=4 478 B11R1.159 CC1=CCCC(C(=O)O)C1C Amb27864075 [1,0,0,1,0,0|1,0,1]=4 479 B11R1.159 CC1C(=O)CCCC1C(N)=O Amb25231274 [1,0,0,1,0,0|1,0,0]=3 480 B11R1.159 CN1C(=O)CCCC1C(=O)O Amb18830654 [1,0,0,1,0,0|1,0,0]=3 481 B11R1.159 CN1C(=O)COCC1C(=O)O Amb27969427 [1,0,0,1,0,0|2,0,0]=4 482 B11R1.159 C[C@@H]1C(=O)CCC[C@H]1C(N)=O Amb28321944 [1,0,0,1,0,0|1,0,0]=3 483 B11R1.159 C[C@@H]1[C@@H](C(=O)O)CCCN1C Amb18199985 [1,0,0,1,0,0|2,0,0]=4 484 B11R1.159 C[C@H]1[C@@H](O)CCC[C@H]1C(=O)O Amb28051870 [1,0,0,1,0,0|0,0,1]=3 485 B11R1.159 N[C@H]1[C@@H](C(=O)O)CCC[C@H]1O Amb27640678 [1,0,0,1,0,0|1,0,1]=4 486 B11R1.159 O=C1NCCC(C(=O)O)C1O Amb25145722 [1,0,0,1,0,0|2,0,0]=4 487 B11R1.180 C=CCCCC1CCCC1=O Amb27271584 [1,0,0,1,0,0|2,0,0]=4 488 B11R1.180 C=CCCC[C@@H]1CCCC1=O Amb28080270 [1,0,0,1,0,0|2,0,0]=4 489 B11R1.180 CC1OCCC1CCCC=O Amb33426812 [1,0,0,1,0,0|1,0,1]=4 490 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [1,0,0,1,0,0|1,0,1]=4 491 B11R1.180 O=C1OCCC1CCCCO Amb27989920 [1,0,0,1,0,0|0,0,1]=3 492 B11R1.180 O=C1OCC[C@@H]1SCCCO Amb27989703 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.180 O=CCCCC1CCOC1=O Amb27673678 [1,0,0,1,0,0|0,0,0]=2 494 B11R1.204 C=CCSC1CCC1C(=O)O Amb27492190 [1,0,0,1,0,0|2,0,0]=4 495 B11R1.204 CSCCC1CCC1C(=O)O Amb27986354 [1,0,0,1,0,0|2,0,0]=4 496 B11R1.204 NC(=O)C1CCN1CCC=O Amb33251317 [1,0,0,1,0,0|2,0,0]=4 497 B11R1.204 O=C(O)C1NCC1CCCO Amb27673478 [1,0,0,1,0,0|1,0,1]=4 498 B11R1.279 CCN1CCC(CO)OC1=O Amb8388590 [1,0,0,1,0,0|1,0,1]=4 499 B11R1.298 CCC(C(=O)O)C1CC=CC1 Amb27878787 [1,0,0,1,0,0|1,0,1]=4 500 B11R1.298 CCC(C(=O)O)C1CCCC1 Amb18125995 [1,0,0,1,0,0|1,0,1]=4 501 B11R1.298 CCC(C(=O)O)C1CCCS1 Amb33416231 [1,0,0,1,0,0|0,1,1]=4 502 B11R1.298 CCC(C(=O)O)C1CCOC1 Amb24701743 [1,0,0,1,0,0|2,0,0]=4 503 B11R1.298 CCC(C(=O)O)C1CCSC1 Amb18197515 [1,0,0,1,0,0|2,0,0]=4 504 B11R1.298 COC(C(=O)O)C1CCCO1 Amb27198651 [1,0,0,1,0,0|1,0,1]=4 505 B11R1.298 NCC(C(=O)O)C1CCCO1 Amb26530264 [1,0,0,1,0,0|1,0,1]=4 506 B11R1.477 CC(=O)C1CC(CC=O)C1C Amb26965087 [1,0,0,1,0,0|1,0,0]=3 507 B11R1.565 CC(=O)N1CCCC(=O)CC1 Amb13783681 [1,0,0,1,0,0|2,0,0]=4 508 B11R1.565 CC1CCCC(C(=O)O)CC1 Amb24487583 [1,0,0,1,0,0|1,0,1]=4 509 B11R1.565 CN1CCCC(C(=O)O)CC1 Amb18199975 [1,0,0,1,0,0|2,0,0]=4 510 B11R1.565 NC(=O)C1CCCC(=O)NC1 Amb27963105 [1,0,0,1,0,0|2,0,0]=4 511 B11R1.565 NC1CCCC(C(=O)O)CC1 Amb33743493 [1,0,0,1,0,0|1,0,1]=4 512 B11R1.565 NC1CCCC(C(=O)O)CC1 Amb33743673 [1,0,0,1,0,0|1,0,1]=4 513 B11R1.565 O=C1CCC(C(=O)O)CCN1 Amb24488196 [1,0,0,1,0,0|1,0,0]=3 514 B11R1.565 O=C1CCC(C(=O)O)CCO1 Amb22001721 [1,0,0,1,0,0|1,0,0]=3 515 B11R1.565 O=C1CCC(C(=O)O)CNN1 Amb27427640 [1,0,0,1,0,0|2,0,0]=4 516 B11R1.565 O=C1CCCC(C(=O)O)CC1 Amb23399610 [1,0,0,1,0,0|0,0,0]=2 517 B11R1.565 O=C1CCSC(C(=O)O)CN1 Amb27441231 [1,0,0,1,0,0|2,0,0]=4 518 B11R1.706 O=C(Cl)C1CCC=CCCC1 Amb24465111 [1,0,0,1,0,0|2,0,0]=4 519 B11R1.706 O=C(O)C1CCC=CCCC1 Amb26853121 [1,0,0,1,0,0|1,0,0]=3 520 B11R1.706 O=C(O)C1CCCCCCC1 Amb18278612 [1,0,0,1,0,0|1,0,1]=4 521 B11R1.706 O=C(O)C1CCCSCCC1 Amb28239756 [1,0,0,1,0,0|2,0,0]=4 522 B11R1.991 CCCCCC1(C(=O)O)CC1 Amb32426134 [1,0,0,1,0,0|1,0,1]=4 523 B11R1.991 COCCCC1(C(=O)O)CC1 Amb31378613 [1,0,0,1,0,0|2,0,0]=4 524 B11R1.991 CSCCCC1(C(=O)O)CC1 Amb33474202 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.1016 CCC(CC1CCC1)C(=O)O Amb27986521 [1,0,0,1,0,0|1,0,1]=4 526 B11R1.1064 CC(=O)C1(CO)CCCC1=O Amb27457609 [1,0,0,1,0,0|2,0,0]=4 527 B11R1.1064 CCC1(C(=O)O)CCCC1=O Amb33232137 [1,0,0,1,0,0|0,0,0]=2 528 B11R1.1064 CCC1(C(=O)O)CCCC1C Amb28319268 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.1064 CCC1(C(=O)O)CCCC1N Amb33232159 [1,0,0,1,0,0|1,0,1]=4 530 B11R1.1064 CCC1(C(=O)O)CCNC1=O Amb32667240 [1,0,0,1,0,0|1,0,0]=3 531 B11R1.1064 CCC1(C(C)=O)CCOC1=O Amb28461131 [1,0,0,1,0,0|2,0,0]=4 532 B11R1.1064 CCC1(C(N)=O)CCNC1=O Amb27849122 [1,0,0,1,0,0|2,0,0]=4 533 B11R1.1074 CCC1(C(=O)O)CC=CCC1 Amb26058329 [1,0,0,1,0,0|1,0,1]=4 534 B11R1.1074 CCC1(C(=O)O)CCCCC1 Amb1016524 [1,0,0,1,0,0|1,0,1]=4 535 B11R1.1074 CCC1(C(=O)O)CCCCN1 Amb15701483 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.1074 CCC1(C(=O)O)CCCCN1 Amb19892167 [1,0,0,1,0,0|1,0,1]=4 537 B11R1.1074 CCC1(C(=O)O)CCCCO1 Amb26529853 [1,0,0,1,0,0|0,0,1]=3 538 B11R1.1074 CCC1(C(=O)O)CCCNC1 Amb19516876 [1,0,0,1,0,0|2,0,0]=4 539 B11R1.1074 CCC1(C(=O)O)CCCNC1 Amb21960031 [1,0,0,1,0,0|2,0,0]=4 540 B11R1.1074 CCC1(C(=O)O)CCCOC1 Amb18288385 [1,0,0,1,0,0|2,0,0]=4 541 B11R1.1074 CCC1(C(=O)O)CNCCO1 Amb33231292 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.1074 O=C(O)C1(CF)CCCCO1 Amb27647178 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.21 CC(=O)[C@H]1CC[C@H](C)C(=O)C1 Amb27447292 [1,0,0,1,0,0|2,0,0]=4 544 B11R1.21 CC1SCC(C(=O)O)NC1=O Amb23590306 [1,0,0,1,0,0|2,0,0]=4 545 B11R1.21 CN1CCC(C(=O)O)CC1=O Amb6892357 [1,0,0,1,0,0|2,0,0]=4 546 B11R1.21 O=C1CC(C(=O)O)CCC1O Amb27176349 [1,0,0,1,0,0|2,0,0]=4 547 B11R1.80 CN1CC(CC(=O)O)CC1=O Amb8009856 [1,0,0,1,0,0|2,0,0]=4 548 B11R1.80 CN1CC(CC(=O)O)OC1=O Amb18830410 [1,0,0,1,0,0|1,0,0]=3 549 B11R1.175 CC(=O)C1CCC(C(=O)O)C1 Amb24373216 [1,0,0,1,0,0|1,0,0]=3 550 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 Amb18949041 [1,0,0,1,0,0|2,0,0]=4 551 B11R1.175 CC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb28052085 [1,0,0,1,0,0|1,0,0]=3 552 B11R1.175 CC(=O)[C@@H]1C[C@@H](C(=O)O)CO1 Amb27424004 [1,0,0,1,0,0|2,0,0]=4 553 B11R1.175 CC(=O)[C@H]1CC[C@H](C(=O)O)C1 Amb28052084 [1,0,0,1,0,0|1,0,0]=3 554 B11R1.175 CC(=O)[C@H]1C[C@@H](C(=O)O)CO1 Amb27221215 [1,0,0,1,0,0|2,0,0]=4 555 B11R1.175 NC(=O)C1CCC(C(=O)O)C1 Amb18126050 [1,0,0,1,0,0|1,0,0]=3 556 B11R1.175 NC(=O)C1CCC(C(=O)O)N1 Amb27397702 [1,0,0,1,0,0|2,0,0]=4 557 B11R1.175 NC(=O)C1CCC(C(=O)O)O1 Amb25111716 [1,0,0,1,0,0|2,0,0]=4 558 B11R1.175 NC(=O)C1CCC(C(N)=O)C1 Amb22902724 [1,0,0,1,0,0|2,0,0]=4 559 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb23560427 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560425 [1,0,0,1,0,0|2,0,0]=4 561 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb25983681 [1,0,0,1,0,0|1,0,0]=3 562 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 Amb23560440 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 Amb24384443 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560409 [1,0,0,1,0,0|2,0,0]=4 565 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [1,0,0,1,0,0|0,0,2]=4 566 B11R1.175 O=C(O)C1CCC(C(=O)Cl)C1 Amb28074649 [1,0,0,1,0,0|1,0,0]=3 567 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [1,0,0,1,0,0|0,0,0]=2 568 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [1,0,0,1,0,0|1,0,0]=3 569 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [1,0,0,1,0,0|1,0,0]=3 570 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [1,0,0,1,0,0|1,0,0]=3 571 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [1,0,0,1,0,0|1,0,0]=3 572 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [1,0,0,1,0,0|1,0,0]=3 573 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [1,0,0,1,0,0|2,0,0]=4 574 B11R1.175 O=C(O)[C@@H]1C=C[C@H](C(=O)O)C1 Amb27491019 [1,0,0,1,0,0|0,0,2]=4 575 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [1,0,0,1,0,0|0,0,0]=2 576 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [1,0,0,1,0,0|1,0,0]=3 577 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [1,0,0,1,0,0|1,0,0]=3 578 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [1,0,0,1,0,0|1,0,0]=3 579 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [1,0,0,1,0,0|1,0,0]=3 580 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [1,0,0,1,0,0|1,0,0]=3 581 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [1,0,0,1,0,0|1,0,0]=3 582 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [1,0,0,1,0,0|1,0,0]=3 583 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [1,0,0,1,0,0|1,0,0]=3 584 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)SS1 Amb27817898 [1,0,0,1,0,0|2,0,0]=4 585 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [1,0,0,1,0,0|0,0,0]=2 586 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [1,0,0,1,0,0|0,0,0]=2 587 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [1,0,0,1,0,0|1,0,0]=3 588 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [1,0,0,1,0,0|1,0,0]=3 589 B11R1.175 O=C(O)[C@H]1C[C@H](C(=O)O)SS1 Amb27657788 [1,0,0,1,0,0|2,0,0]=4 590 B11R1.314 CC(C(=O)O)C1CCC(=O)C1 Amb27596870 [1,0,0,1,0,0|1,0,0]=3 591 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [1,0,0,1,0,0|1,0,0]=3 592 B11R1.314 CC(C(=O)O)C1CC[C@@H](C)O1 Amb33423414 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.314 C[C@H]1CC[C@@H]([C@H](C)C(=O)O)O1 Amb27477593 [1,0,0,1,0,0|1,0,1]=4 594 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [1,0,0,1,0,0|2,0,0]=4 595 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [1,0,0,1,0,0|1,0,0]=3 596 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [1,0,0,1,0,0|2,0,0]=4 597 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [1,0,0,1,0,0|2,0,0]=4 598 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [1,0,0,1,0,0|2,0,0]=4 599 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [1,0,0,1,0,0|2,0,0]=4 600 B11R1.315 CC1CCC(C(=O)O)C1(C)O Amb28368998 [1,0,0,1,0,0|1,0,1]=4 601 B11R1.667 CC1(C(=O)O)CCNC(=O)C1 Amb32668817 [1,0,0,1,0,0|2,0,0]=4 602 B11R1.667 CC1(C(N)=O)CCCC(=O)N1 Amb27860558 [1,0,0,1,0,0|2,0,0]=4 603 B11R1.667 CC1=CCCC(C)(C(=O)O)O1 Amb28245231 [1,0,0,1,0,0|1,0,1]=4 604 B11R1.667 C[C@@]1(C(=O)O)CCCC(=O)C1 Amb25138624 [1,0,0,1,0,0|1,0,0]=3 605 B11R1.667 NC1(C(=O)O)CCCC(=O)C1 Amb23560233 [1,0,0,1,0,0|2,0,0]=4 606 B11R1.667 O=C1CCCC(O)(C(=O)O)O1 Amb27760512 [1,0,0,1,0,0|1,0,0]=3 607 B11R1.704 CC(=O)[C@@H]1C[C@H]1C(N)C(=O)O Amb27467898 [1,0,0,1,0,0|2,0,0]=4 608 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [1,0,0,1,0,0|1,0,0]=3 609 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [1,0,0,1,0,0|1,0,0]=3 610 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [1,0,0,1,0,0|1,0,0]=3 611 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [1,0,0,1,0,0|1,0,0]=3 612 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [1,0,0,1,0,0|1,0,0]=3 613 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [1,0,0,1,0,0|1,0,0]=3 614 B11R1.711 CC(=O)C1CC1CCC(=O)O Amb27990217 [1,0,0,1,0,0|1,0,0]=3 615 B11R1.711 CC(=O)CCC1CC1C(=O)O Amb25384585 [1,0,0,1,0,0|1,0,0]=3 616 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(=O)O Amb25384133 [1,0,0,1,0,0|1,0,0]=3 617 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(=O)O Amb25383057 [1,0,0,1,0,0|1,0,0]=3 618 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [1,0,0,1,0,0|2,0,0]=4 619 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [1,0,0,1,0,0|2,0,0]=4 620 B11R1.711 CC(=O)OC[C@@H]1C[C@H]1C(=O)O Amb26659372 [1,0,0,1,0,0|2,0,0]=4 621 B11R1.723 C=C(C)[C@@H]1CCC1(C)C(=O)O Amb28249648 [1,0,0,1,0,0|2,0,0]=4 622 B11R1.723 C=C(C)[C@@H]1CC[C@@]1(C)C(=O)O Amb26527938 [1,0,0,1,0,0|2,0,0]=4 623 B11R1.723 C=C(C)[C@@H]1CC[C@]1(C)C(=O)O Amb25919558 [1,0,0,1,0,0|2,0,0]=4 624 B11R1.723 CC(=O)C1CCC1(C)C(=O)O Amb25858072 [1,0,0,1,0,0|1,0,0]=3 625 B11R1.723 CC(=O)[C@@H]1CC[C@]1(C)C(=O)O Amb27409379 [1,0,0,1,0,0|1,0,0]=3 626 B11R1.723 CC(=O)[C@H]1CC[C@@]1(C)C(=O)O Amb27781464 [1,0,0,1,0,0|1,0,0]=3 627 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [1,0,0,1,0,0|1,0,0]=3 628 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 Amb15701364 [1,0,0,1,0,0|1,0,1]=4 629 B11R1.730 O=C(O)[C@@H]1CCCS(=O)(=O)C1 Amb27607684 [1,0,0,1,0,0|1,0,1]=4 630 B11R1.730 O=C(O)[C@H]1CCCS(=O)(=O)C1 Amb27945434 [1,0,0,1,0,0|1,0,1]=4 631 B11R1.743 CC(=O)C1CC(CC(=O)O)C1 Amb25202475 [1,0,0,1,0,0|1,0,0]=3 632 B11R1.743 CC(=O)NC1CC(C(=O)O)C1 Amb23441142 [1,0,0,1,0,0|2,0,0]=4 633 B11R1.743 CC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887511 [1,0,0,1,0,0|2,0,0]=4 634 B11R1.743 CC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35585911 [1,0,0,1,0,0|2,0,0]=4 635 B11R1.743 NC(=O)NC1CC(C(=O)O)C1 Amb35659136 [1,0,0,1,0,0|2,0,0]=4 636 B11R1.743 NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887629 [1,0,0,1,0,0|2,0,0]=4 637 B11R1.743 NC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35645356 [1,0,0,1,0,0|2,0,0]=4 638 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [1,0,0,1,0,0|1,0,0]=3 639 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [1,0,0,1,0,0|1,0,0]=3 640 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [1,0,0,1,0,0|1,0,0]=3 641 B11R1.1386 CC1(C(=O)O)CCCS1(=O)=O Amb27966816 [1,0,0,1,0,0|1,0,1]=4 642 B11R1.1386 CC1(O)CCCC1(C)C(=O)O Amb18126142 [1,0,0,1,0,0|1,0,1]=4 643 B11R1.48 CCC1CC(C(C)=O)OC1=O Amb28121700 [0,0,0,1,1,0|1,0,0]=3 644 B11R1.48 CCC1CC(C(C)O)OC1=O Amb4043950 [0,0,0,1,1,0|1,0,1]=4 645 B11R1.48 CCN1CC(C(=O)O)CC1=O Amb9707072 [0,0,0,1,1,0|2,0,0]=4 646 B11R1.48 CCN1CC(C(=O)O)NC1=O Amb25920920 [0,0,0,1,1,0|2,0,0]=4 647 B11R1.48 CCN1CC(C(=O)O)OC1=O Amb28044990 [0,0,0,1,1,0|1,0,0]=3 648 B11R1.48 O=C1N[C@H](C(=O)O)C[C@@H]1CF Amb28320761 [0,0,0,1,1,0|2,0,0]=4 649 B11R1.62 CC[C@@H]1C(=O)N[C@H]1CC(=O)O Amb27439855 [0,0,0,1,1,0|1,0,0]=3 650 B11R1.62 CC[C@H]1C(=O)N[C@@H]1CC(=O)O Amb27776770 [0,0,0,1,1,0|1,0,0]=3 651 B11R1.90 CC(=O)CCC1CCNC1=O Amb18200449 [0,0,0,1,1,0|2,0,0]=4 652 B11R1.90 CC(=O)CCN1CCOC1=O Amb8388287 [0,0,0,1,1,0|2,0,0]=4 653 B11R1.90 CC(=O)CSC1CCOC1=O Amb27840333 [0,0,0,1,1,0|2,0,0]=4 654 B11R1.90 CC1OCCC1CCC(=O)O Amb33427953 [0,0,0,1,1,0|1,0,1]=4 655 B11R1.90 NC(=O)CCN1CCOC1=O Amb18787749 [0,0,0,1,1,0|2,0,0]=4 656 B11R1.90 NC(=O)CC[C@@H]1NCOC1=O Amb28255565 [0,0,0,1,1,0|2,0,0]=4 657 B11R1.90 NC(=O)CN[C@H]1CCOC1=O Amb27946688 [0,0,0,1,1,0|2,0,0]=4 658 B11R1.90 NS(=O)CCC1CCOC1=O Amb32720769 [0,0,0,1,1,0|2,0,0]=4 659 B11R1.90 O=C(O)CCC1=CCOC1=O Amb27596612 [0,0,0,1,1,0|0,0,2]=4 660 B11R1.90 O=C(O)CCC1C=NOC1=O Amb27438724 [0,0,0,1,1,0|1,0,1]=4 661 B11R1.90 O=C(O)CCC1CCCC1=O Amb17400002 [0,0,0,1,1,0|1,0,0]=3 662 B11R1.90 O=C(O)CCC1CCOC1=O Amb10669454 [0,0,0,1,1,0|0,0,0]=2 663 B11R1.90 O=C(O)CCC1CCSC1=O Amb27233557 [0,0,0,1,1,0|0,1,0]=3 664 B11R1.90 O=C(O)CCN1CCCC1=O Amb1138316 [0,0,0,1,1,0|2,0,0]=4 665 B11R1.90 O=C(O)CCN1CCNC1=O Amb19002909 [0,0,0,1,1,0|2,0,0]=4 666 B11R1.90 O=C(O)CCN1CCOC1=O Amb6673441 [0,0,0,1,1,0|1,0,0]=3 667 B11R1.90 O=C(O)CCN1CCSC1=O Amb1106160 [0,0,0,1,1,0|1,1,0]=4 668 B11R1.90 O=C(O)CNC1CCNC1=O Amb35694004 [0,0,0,1,1,0|2,0,0]=4 669 B11R1.90 O=C(O)CSC1CCOC1=O Amb33535328 [0,0,0,1,1,0|1,0,0]=3 670 B11R1.90 O=C1OCCC1CCS(=O)Cl Amb32720768 [0,0,0,1,1,0|2,0,0]=4 671 B11R1.90 O=C1OCCC1CCS(=O)[O-] Amb32754913 [0,0,0,1,1,0|1,0,1]=4 672 B11R1.166 CC(=O)C1CCC(=O)NC1C Amb27848310 [0,0,0,1,1,0|2,0,0]=4 673 B11R1.166 CC(=O)[C@@H]1CCC(=O)C[C@@H]1C Amb24571662 [0,0,0,1,1,0|2,0,0]=4 674 B11R1.166 CC(=O)[C@H]1CCC(=O)C[C@H]1C Amb26032690 [0,0,0,1,1,0|2,0,0]=4 675 B11R1.166 CC1=CC(=O)CCC1C(=O)O Amb25189150 [0,0,0,1,1,0|1,0,1]=4 676 B11R1.166 CC1CC(=O)CCC1C(=O)O Amb18125961 [0,0,0,1,1,0|1,0,0]=3 677 B11R1.166 CC1CC(=O)NCC1C(=O)O Amb25149101 [0,0,0,1,1,0|2,0,0]=4 678 B11R1.166 CC1NC(=O)CCC1C(N)=O Amb27186417 [0,0,0,1,1,0|2,0,0]=4 679 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O Amb24511958 [0,0,0,1,1,0|1,0,0]=3 680 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O Amb24571688 [0,0,0,1,1,0|1,0,0]=3 681 B11R1.166 C[C@H]1CCC(C(=O)O)[C@H](C)O1 Amb27801338 [0,0,0,1,1,0|1,0,1]=4 682 B11R1.416 CCC1(C(=O)O)CCC(=O)N1 Amb27759385 [0,0,0,1,1,0|1,0,0]=3 683 B11R1.416 CCC1(C(=O)O)CCC(=O)O1 Amb17705275 [0,0,0,1,1,0|0,0,0]=2 684 B11R1.416 CCC1(C(=O)O)CCC(O)C1 Amb23454240 [0,0,0,1,1,0|1,0,1]=4 685 B11R1.416 CCC1(C(=O)O)CNC(=O)C1 Amb25848400 [0,0,0,1,1,0|2,0,0]=4 686 B11R1.416 CCC1(C(=O)O)CNC(=O)N1 Amb33746214 [0,0,0,1,1,0|2,0,0]=4 687 B11R1.416 CCC1(C(=O)O)CNC(=O)O1 Amb33735540 [0,0,0,1,1,0|1,0,0]=3 688 B11R1.416 CC[C@@]1(C(=O)O)CCC(=O)N1 Amb28137973 [0,0,0,1,1,0|1,0,0]=3 689 B11R1.416 NCC1(C(=O)O)CCC(=O)O1 Amb25060776 [0,0,0,1,1,0|1,0,0]=3 690 B11R1.416 O=C1CCC(CCl)(C(=O)Cl)O1 Amb28324269 [0,0,0,1,1,0|2,0,0]=4 691 B11R1.416 O=C1CCC(CCl)(C(=O)O)O1 Amb18648181 [0,0,0,1,1,0|1,0,0]=3 692 B11R1.416 O=C1CCC(CO)(C(=O)O)O1 Amb27816272 [0,0,0,1,1,0|1,0,0]=3 693 B11R1.416 O=C1CC[C@@](CO)(C(=O)O)N1 Amb27845485 [0,0,0,1,1,0|2,0,0]=4 694 B11R1.418 CS[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb28051888 [0,0,0,1,1,0|1,0,0]=3 695 B11R1.418 O=C(O)[C@@H]1C[C@]1(CO)C(=O)O Amb27768045 [0,0,0,1,1,0|1,0,0]=3 696 B11R1.418 O=C(O)[C@H]1C[C@@]1(CO)C(=O)O Amb26023028 [0,0,0,1,1,0|1,0,0]=3 697 B11R1.515 CC1C(C(=O)O)CCS1(=O)=O Amb28118967 [0,0,0,1,1,0|1,0,1]=4 698 B11R1.518 C=C(C)CC1C(C)C1C(=O)O Amb27845512 [0,0,0,1,1,0|2,0,0]=4 699 B11R1.518 C=C(C)C[C@H]1C(C)[C@@H]1C(=O)O Amb27880588 [0,0,0,1,1,0|2,0,0]=4 700 B11R1.519 CN1[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb25295430 [0,0,0,1,1,0|1,0,0]=3 701 B11R1.519 CN1[C@H](C(=O)O)C[C@H]1C(=O)O Amb28052125 [0,0,0,1,1,0|1,0,0]=3 702 B11R1.674 CC1NC(=O)C1CCC(=O)O Amb27790507 [0,0,0,1,1,0|1,0,0]=3 703 B11R1.674 C[C@@H]1NC(=O)[C@H]1CCC(=O)O Amb27852429 [0,0,0,1,1,0|1,0,0]=3 704 B11R1.708 CC(=O)C1CCC1CC(=O)O Amb25918239 [0,0,0,1,1,0|1,0,0]=3 705 B11R1.708 CC(=O)SC1CCC1C(=O)O Amb27201581 [0,0,0,1,1,0|2,0,0]=4 706 B11R1.708 NC(=O)C1CCN1CC(=O)O Amb33251341 [0,0,0,1,1,0|2,0,0]=4 707 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,1,0|1,0,0]=3 708 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,1,0|1,0,0]=3 709 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,1,0|1,0,0]=3 710 B11R1.727 CC1(O)CCC(C(=O)O)CC1 Amb27803990 [0,0,0,1,1,0|1,0,1]=4 711 B11R1.727 CP1(=O)CCC(C(=O)O)CC1 Amb26893335 [0,0,0,1,1,0|2,0,0]=4 712 B11R1.727 C[C@]1(O)CC[C@H](C(=O)O)CC1 Amb27478059 [0,0,0,1,1,0|1,0,1]=4 713 B11R1.727 N=S1(=O)CCC(C(=O)O)CC1 Amb33249821 [0,0,0,1,1,0|2,0,0]=4 714 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Amb2416634 [0,0,0,1,1,0|1,0,1]=4 715 B11R1.1391 C=C(C)CCC1(C(=O)O)CC1 Amb27271798 [0,0,0,1,1,0|2,0,0]=4 716 B11R1.1391 CC(=O)CCC1(C(=O)O)CC1 Amb27990274 [0,0,0,1,1,0|1,0,0]=3 717 B11R1.1391 CC(=O)CNC1(C(=O)O)CC1 Amb27989525 [0,0,0,1,1,0|2,0,0]=4 718 B11R1.1391 CC(=O)NCC1(C(=O)O)CC1 Amb23441145 [0,0,0,1,1,0|2,0,0]=4 719 B11R1.1391 CC(O)CCC1(C(=O)O)CC1 Amb28387126 [0,0,0,1,1,0|1,0,1]=4 720 B11R1.1391 O=C(O)C#CC1(C(=O)O)CC1 Amb27165708 [0,0,0,1,1,0|0,0,2]=4 721 B11R1.1391 O=C(O)COC1(C(=O)O)CC1 Amb32946166 [0,0,0,1,1,0|1,0,0]=3 722 B13R1.167 CC(=O)NCCCN1CCOC1=O Amb35788505 [0,0,0,1,0,1|2,0,0]=4 723 B13R1.585 CC(=O)C1CCN(CC(=O)O)CC1 Amb10842170 [0,0,0,1,0,1|1,0,0]=3 724 B13R1.585 CC(=O)C1CCN(CC(N)=O)CC1 Amb27635124 [0,0,0,1,0,1|2,0,0]=4 725 B13R1.585 CC(=O)CN1CCC(C(=O)O)CC1 Amb23450681 [0,0,0,1,0,1|1,0,0]=3 726 B13R1.585 CC(=O)N1CCC(CC(=O)O)CC1 Amb9173974 [0,0,0,1,0,1|2,0,0]=4 727 B13R1.585 CC(=O)N1CCC(NC(=O)O)CC1 Amb24095044 [0,0,0,1,0,1|2,0,0]=4 728 B13R1.585 CC(=O)N1CCN(CC(=O)O)CC1 Amb1303200 [0,0,0,1,0,1|2,0,0]=4 729 B13R1.585 CC(=O)N1CCN(CC(=O)O)CC1 Amb31291563 [0,0,0,1,0,1|2,0,0]=4 730 B13R1.585 CC(=O)NC1CCC(C(=O)O)CC1 Amb24346889 [0,0,0,1,0,1|1,0,0]=3 731 B13R1.585 CC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 Amb26844476 [0,0,0,1,0,1|1,0,0]=3 732 B13R1.585 CC(=O)N[C@H]1CC[C@H](C(=O)O)CC1 Amb25336565 [0,0,0,1,0,1|1,0,0]=3 733 B13R1.585 CC(=O)OC1CCC(C(=O)O)CC1 Amb2637198 [0,0,0,1,0,1|1,0,0]=3 734 B13R1.585 CC(=O)O[C@H]1CC[C@H](C(=O)O)CC1 Amb28137915 [0,0,0,1,0,1|1,0,0]=3 735 B13R1.585 CC(=O)O[C@H]1CC[C@H](C(N)=O)CC1 Amb27760407 [0,0,0,1,0,1|2,0,0]=4 736 B13R1.585 CC(O)CN1CCC(C(=O)O)CC1 Amb10573529 [0,0,0,1,0,1|1,0,1]=4 737 B13R1.585 NC(=O)C1CCN(CC(=O)Cl)CC1 Amb17143321 [0,0,0,1,0,1|2,0,0]=4 738 B13R1.585 NC(=O)C1CCN(CC(=O)O)CC1 Amb22586932 [0,0,0,1,0,1|1,0,0]=3 739 B13R1.585 NC(=O)C1CCN(CC(=O)O)CC1 Amb2786586 [0,0,0,1,0,1|1,0,0]=3 740 B13R1.585 NC(=O)C1CCN(CC(=O)O)CC1 Amb33551624 [0,0,0,1,0,1|1,0,0]=3 741 B13R1.585 NC(=O)CN1CCC(C(=O)O)CC1 Amb22586958 [0,0,0,1,0,1|1,0,0]=3 742 B13R1.585 NC(=O)CN1CCC(C(=O)O)CC1 Amb32661928 [0,0,0,1,0,1|1,0,0]=3 743 B13R1.585 NC(=O)CN1CCC(C(=O)O)CC1 Amb9238732 [0,0,0,1,0,1|1,0,0]=3 744 B13R1.585 NC(=O)N1CCN(CC(=O)O)CC1 Amb2685728 [0,0,0,1,0,1|2,0,0]=4 745 B13R1.585 NC(=O)NC1CCC(C(=O)O)CC1 Amb10610082 [0,0,0,1,0,1|1,0,0]=3 746 B13R1.585 NC(=S)CN1CCC(C(=O)O)CC1 Amb17120465 [0,0,0,1,0,1|1,1,0]=4 747 B13R1.585 NC(=S)N[C@H]1CC[C@@H](C(=O)O)CC1 Amb28241370 [0,0,0,1,0,1|1,1,0]=4 748 B13R1.585 O=C(O)CC1CNC(C(=O)O)CO1 Amb27440752 [0,0,0,1,0,1|1,0,0]=3 749 B13R1.585 O=C(O)CN1CCC(C(=O)O)CC1 Amb24725865 [0,0,0,1,0,1|0,0,0]=2 750 B13R1.585 O=C(O)CN1CCC(C(=O)O)CC1 Amb6448023 [0,0,0,1,0,1|0,0,0]=2 751 B13R1.585 O=C(O)C[C@H]1CC[C@@H](C(=O)O)CC1 Amb27659229 [0,0,0,1,0,1|0,0,0]=2 752 B13R1.585 O=C(O)C[C@H]1CC[C@H](C(=O)O)CC1 Amb28121096 [0,0,0,1,0,1|0,0,0]=2 753 B13R1.716 C=C1CCCN(C(CC)C(=O)O)C1 Amb35641514 [0,0,0,1,0,1|2,0,0]=4 754 B13R1.1065 CC(=O)CCCN1CCC1C(N)=O Amb33251327 [0,0,0,1,0,1|2,0,0]=4 755 B13R1.1065 NC(=O)C1CCN1CCCC(=O)O Amb33251355 [0,0,0,1,0,1|1,0,0]=3 756 B13R1.1985 CC(=O)N1CCC(NCC(=O)O)C1 Amb21860601 [0,0,0,1,0,1|2,0,0]=4 757 B13R1.1985 CC(=O)N1CCC(OCC(=O)O)C1 Amb21860957 [0,0,0,1,0,1|2,0,0]=4 758 B13R1.1985 CC(=O)N1CC[C@@H](OCC(=O)O)C1 Amb22224724 [0,0,0,1,0,1|2,0,0]=4 759 B13R1.1985 CC(=O)NCC1CCC(C(=O)O)O1 Amb27223235 [0,0,0,1,0,1|2,0,0]=4 760 B13R1.1985 CC(=O)NC[C@@H]1CC[C@H](C(=O)O)C1 Amb27657592 [0,0,0,1,0,1|1,0,0]=3 761 B13R1.1985 NC(=O)C1CCC(CCC(=O)O)O1 Amb32668775 [0,0,0,1,0,1|1,0,0]=3 762 B13R1.1985 NC(=O)NC[C@H]1CC[C@@H](C(=O)O)O1 Amb32864197 [0,0,0,1,0,1|2,0,0]=4 763 B13R1.1985 NC(=O)[C@@H]1CC[C@H](CCC(=O)O)O1 Amb32674709 [0,0,0,1,0,1|1,0,0]=3 764 B13R1.3033 CCC(C(=O)O)N1CCC1C(N)=O Amb33251356 [0,0,0,1,0,1|1,0,0]=3 765 B13R1.3033 CCC(C(C)=O)N1CCC1C(N)=O Amb33251600 [0,0,0,1,0,1|2,0,0]=4 766 B13R1.3033 CCC(C(N)=O)N1CCC1C(N)=O Amb33251167 [0,0,0,1,0,1|2,0,0]=4 767 B13R1.3033 NCC(C(=O)O)N1CCC1C(N)=O Amb33251361 [0,0,0,1,0,1|2,0,0]=4 768 B13R1.3112 CCC1(C(=O)O)CCCN1S(C)=O Amb27431931 [0,0,0,1,0,1|2,0,0]=4 769 B13R1.3124 NC(=O)N[C@H]1CC[C@@]1(CO)C(=O)O Amb27419995 [0,0,0,1,0,1|2,0,0]=4 770 B13R1.3697 C=C(Br)CN1CCC(C(=O)O)C1C Amb28188578 [0,0,0,1,0,1|2,0,0]=4 771 B13R1.3697 CC(=O)CC1CCC(C(=O)O)N1C Amb27478015 [0,0,0,1,0,1|2,0,0]=4 772 B13R1.3697 CN1C(CC(=O)O)CCC1C(=O)O Amb28137906 [0,0,0,1,0,1|1,0,0]=3 773 B13R1.3801 CN1C(C(=O)O)CCCC1C(=O)O Amb23571904 [0,0,0,1,0,1|1,0,0]=3 774 B13R1.8652 CC(=O)N1CCCC(C(=O)O)CC1 Amb8631241 [0,0,0,1,0,1|1,0,0]=3 775 B13R1.8652 O=C(O)C1CCCC(C(=O)O)CC1 Amb27404355 [0,0,0,1,0,1|0,0,0]=2 776 B13R1.8652 O=C(O)[C@@H]1CCC[C@H](C(=O)O)NN1 Amb28193432 [0,0,0,1,0,1|2,0,0]=4 777 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 Amb33465486 [0,0,0,1,0,1|1,0,0]=3 778 B13R1.583 CC(=O)NC1CCC(CC(=O)O)C1 Amb27854867 [0,0,0,1,0,1|1,0,0]=3 779 B13R1.583 CC(=O)NC1CCN(CC(=O)O)C1 Amb21861017 [0,0,0,1,0,1|2,0,0]=4 780 B13R1.583 CC(=O)N[C@@H]1CCN(CC(=O)O)C1 Amb22224747 [0,0,0,1,0,1|2,0,0]=4 781 B13R1.583 CC(=O)N[C@H]1CCN(CC(=O)O)C1 Amb22224784 [0,0,0,1,0,1|2,0,0]=4 782 B13R1.583 NC(=O)NC1CCN(CC(=O)O)C1 Amb35606297 [0,0,0,1,0,1|2,0,0]=4 783 B13R1.3398 CCC1SCC(C(=O)O)N1C(C)=O Amb28351783 [0,0,0,1,0,1|2,0,0]=4 784 B13R1.3398 CCC1SCC(C(=O)O)N1C(N)=O Amb27836122 [0,0,0,1,0,1|2,0,0]=4 785 B13R1.3398 CCC1SC[C@@H](C(=O)O)N1C(C)=O Amb27797369 [0,0,0,1,0,1|2,0,0]=4 786 B13R1.3398 CC[C@@H]1CCN(C(=O)Cl)[C@H]1C(=O)O Amb26403229 [0,0,0,1,0,1|2,0,0]=4 787 B13R1.3398 CC[C@H]1CCN(C(=O)Cl)[C@@H]1C(=O)O Amb24619283 [0,0,0,1,0,1|2,0,0]=4 788 B13R1.3506 C[C@@H]1NC(=O)CCC[C@H]1CC(=O)O Amb18191382 [0,0,0,1,0,1|1,0,0]=3 789 B13R1.3780 NC(=O)OC1CCCC(=O)CCC1 Amb27955268 [0,0,0,1,0,1|2,0,0]=4 790 B13R1.7745 O=C(O)CCCC1CCS(=O)(=O)C1 Amb33056318 [0,0,0,1,0,1|1,0,1]=4 791 B13R1.8833 O=C(O)CC1CCCS(=O)(=O)CC1 Amb35650279 [0,0,0,1,0,1|1,0,1]=4 792 B13R1.120 CC(C)C1NCC(C(=O)O)NC1=O Amb27791838 [0,1,0,1,0,0|2,0,0]=4 793 B13R1.120 CC(C)C1NC[C@@H](C(=O)O)NC1=O Amb27392399 [0,1,0,1,0,0|2,0,0]=4 794 B13R1.120 CC(C)C1SCC(C(=O)O)NC1=O Amb18130889 [0,1,0,1,0,0|2,0,0]=4 795 B13R1.120 CC(C)N1CCC(C(=O)O)CC1=O Amb26407370 [0,1,0,1,0,0|2,0,0]=4 796 B13R1.120 CC(C)[C@@H]1CC[C@H](C(=O)O)C[C@@H]1O Amb27629645 [0,1,0,1,0,0|1,0,1]=4 797 B13R1.120 CC1CC(C(=O)O)CCN1C(N)=O Amb27836941 [0,1,0,1,0,0|2,0,0]=4 798 B13R1.1059 O=C(O)C1CCC1(C(=O)O)C(=O)O Amb26977267 [0,1,0,1,0,0|1,0,1]=4 799 B13R1.1079 CC(=O)C1CCC(C(=O)O)C1(C)C Amb27794864 [0,1,0,1,0,0|1,0,0]=3 800 B13R1.1079 CC1(C)[C@@H](C(=O)O)CC[C@H]1C(=O)O Amb27165715 [0,1,0,1,0,0|0,0,0]=2 801 B13R1.1079 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1(=O)=O Amb27949586 [0,1,0,1,0,0|2,0,0]=4 802 B13R1.1109 CC(=O)C1CC(CC(=O)O)C1(C)C Amb2226982 [0,1,0,1,0,0|1,0,0]=3 803 B13R1.1109 CC(=O)C1CC(CC(N)=O)C1(C)C Amb4148918 [0,1,0,1,0,0|2,0,0]=4 804 B13R1.1109 CC(=O)[C@@H]1C[C@H](CC(=O)O)C1(C)C Amb22800798 [0,1,0,1,0,0|1,0,0]=3 805 B13R1.1109 CC(=O)[C@@H]1C[C@H](CC(N)=O)C1(C)C Amb27428730 [0,1,0,1,0,0|2,0,0]=4 806 B13R1.1109 CC(=O)[C@H]1C[C@@H](CC(=O)O)C1(C)C Amb8517395 [0,1,0,1,0,0|1,0,0]=3 807 B13R1.1109 CC(O)C1CC(CC(=O)O)C1(C)C Amb4009137 [0,1,0,1,0,0|1,0,1]=4 808 B13R1.1109 CC1(C)C(CC(N)=O)CC1C(=O)O Amb27864063 [0,1,0,1,0,0|1,0,0]=3 809 B13R1.1109 CC1(C)C(CC(N)=O)CC1C(N)=O Amb27180198 [0,1,0,1,0,0|2,0,0]=4 810 B13R1.1109 CC1(C)[C@@H](CC(=O)O)C[C@H]1C(=O)O Amb25966547 [0,1,0,1,0,0|0,0,0]=2 811 B13R1.1109 CC1(C)[C@H](CC(=O)O)C[C@@H]1C(=O)O Amb25273743 [0,1,0,1,0,0|0,0,0]=2 812 B13R1.1109 CC1(C)[C@H](CC(N)=O)C[C@@H]1C(N)=O Amb27201287 [0,1,0,1,0,0|2,0,0]=4 813 B13R1.3426 CC(C)C(C(=O)O)C1CC[C@@H](C)O1 Amb33423412 [0,1,0,1,0,0|1,0,1]=4 814 B13R1.3764 CC(C)C1=CC(CC(=O)O)OC1=O Amb18129356 [0,1,0,1,0,0|0,0,2]=4 815 B13R1.3764 CC(C)N1CC(CC(=O)O)OC1=O Amb18191172 [0,1,0,1,0,0|1,0,0]=3 816 B13R1.3764 CC1CC(CC(=O)O)NC1C(=O)O Amb28341077 [0,1,0,1,0,0|1,0,0]=3 817 B13R1.52 CCC1CN(CC(=O)O)CCC1=O Amb27643091 [0,1,0,1,0,0|2,0,0]=4 818 B13R1.52 CCN1CC(CC(=O)O)CCC1=O Amb27163172 [0,1,0,1,0,0|2,0,0]=4 819 B13R1.52 CCN1CC(CC(=O)O)OCC1=O Amb25705202 [0,1,0,1,0,0|1,0,0]=3 820 B13R1.158 O=C(O)CCCC1CCCCC1=O Amb17594755 [0,1,0,1,0,0|1,0,0]=3 821 B13R1.158 O=C(O)CCCN1CCCCC1=O Amb6751285 [0,1,0,1,0,0|2,0,0]=4 822 B13R1.158 O=C(O)CCCN1CCOCC1=O Amb18255071 [0,1,0,1,0,0|1,0,0]=3 823 B13R1.533 CNC(=O)C1CCN(CC(=O)O)C1 Amb27774518 [0,1,0,1,0,0|2,0,0]=4 824 B13R1.533 COC(=O)[C@@H]1C[C@H](CC(=O)O)CN1 Amb35788993 [0,1,0,1,0,0|1,0,0]=3 825 B13R1.533 COC(=O)[C@@H]1C[C@H](CC(=O)O)CN1 Amb35789871 [0,1,0,1,0,0|1,0,0]=3 826 B13R1.537 C#CC(=O)N1CCC(C(=O)O)CC1 Amb6263708 [0,1,0,1,0,0|2,0,0]=4 827 B13R1.537 C=CC(=O)N1CCC(C(=O)O)CC1 Amb6260212 [0,1,0,1,0,0|2,0,0]=4 828 B13R1.537 CCC(=O)N1CCC(C(=O)O)CC1 Amb1028691 [0,1,0,1,0,0|2,0,0]=4 829 B13R1.537 CNC(=O)C1CCC(C(=O)O)CC1 Amb25924042 [0,1,0,1,0,0|1,0,0]=3 830 B13R1.537 CNC(=O)C1CCC(C(N)=O)CC1 Amb27456276 [0,1,0,1,0,0|2,0,0]=4 831 B13R1.537 CNC(=O)N1CCC(C(=O)O)CC1 Amb8828575 [0,1,0,1,0,0|2,0,0]=4 832 B13R1.537 COC(=O)C1=CCC(C(=O)O)CC1 Amb27187214 [0,1,0,1,0,0|0,0,2]=4 833 B13R1.537 COC(=O)C1CCC(C(=O)Cl)CC1 Amb25778254 [0,1,0,1,0,0|1,0,0]=3 834 B13R1.537 COC(=O)C1CCC(C(=O)O)CC1 Amb18129594 [0,1,0,1,0,0|0,0,0]=2 835 B13R1.537 COC(=O)C1CCC(C(=O)O)NC1 Amb27233605 [0,1,0,1,0,0|1,0,0]=3 836 B13R1.537 COC(=O)C1CCC(C(=O)O)NC1 Amb33804234 [0,1,0,1,0,0|1,0,0]=3 837 B13R1.537 COC(=O)C1CCC(C(C)=O)CC1 Amb22292377 [0,1,0,1,0,0|1,0,0]=3 838 B13R1.537 COC(=O)C1CCC(C(N)=O)CC1 Amb27180302 [0,1,0,1,0,0|1,0,0]=3 839 B13R1.537 COC(=O)C1CCC(C(N)=O)CN1 Amb27415491 [0,1,0,1,0,0|2,0,0]=4 840 B13R1.537 COC(=O)C1CCC(S(=O)Cl)CC1 Amb32720944 [0,1,0,1,0,0|2,0,0]=4 841 B13R1.537 COC(=O)C1CCC(S(=O)[O-])CC1 Amb32755804 [0,1,0,1,0,0|1,0,1]=4 842 B13R1.537 COC(=O)C1CCC(S(N)=O)CC1 Amb32720945 [0,1,0,1,0,0|2,0,0]=4 843 B13R1.537 COC(=O)C1CCN(C(=O)Cl)CC1 Amb24099450 [0,1,0,1,0,0|2,0,0]=4 844 B13R1.537 COC(=O)C1CCN(C(C)=O)CC1 Amb3886819 [0,1,0,1,0,0|2,0,0]=4 845 B13R1.537 COC(=O)C1CCN(C(N)=O)CC1 Amb436801 [0,1,0,1,0,0|2,0,0]=4 846 B13R1.537 COC(=O)N1CCC(C(=O)Cl)CC1 Amb20620669 [0,1,0,1,0,0|2,0,0]=4 847 B13R1.537 COC(=O)N1CCC(C(=O)O)CC1 Amb2413369 [0,1,0,1,0,0|1,0,0]=3 848 B13R1.537 COC(=O)N1CCC(C(=O)[O-])CC1 Amb34915108 [0,1,0,1,0,0|1,0,1]=4 849 B13R1.537 COC(=O)[C@@H]1CC[C@H](C(=O)O)NC1 Amb27440456 [0,1,0,1,0,0|1,0,0]=3 850 B13R1.537 COC(=O)[C@@H]1CO[C@@H](C(=O)O)CO1 Amb27450390 [0,1,0,1,0,0|2,0,0]=4 851 B13R1.537 COC(=O)[C@H]1CC[C@@H](C(=O)O)CC1 Amb6299843 [0,1,0,1,0,0|0,0,0]=2 852 B13R1.537 COC(=O)[C@H]1CC[C@@H](C(N)=O)CC1 Amb26875333 [0,1,0,1,0,0|1,0,0]=3 853 B13R1.537 COC(=O)[C@H]1CC[C@H](C(=O)Cl)CC1 Amb25752737 [0,1,0,1,0,0|1,0,0]=3 854 B13R1.537 COC(=O)[C@H]1CC[C@H](C(=O)O)CC1 Amb6299844 [0,1,0,1,0,0|0,0,0]=2 855 B13R1.537 COC(=O)[C@H]1CC[C@H](C(=O)O)NC1 Amb27213007 [0,1,0,1,0,0|1,0,0]=3 856 B13R1.537 COC(=O)[C@H]1CC[C@H](C(C)=O)CC1 Amb25331096 [0,1,0,1,0,0|1,0,0]=3 857 B13R1.537 COC(=O)[C@H]1CC[C@H](C(N)=O)CC1 Amb26054535 [0,1,0,1,0,0|1,0,0]=3 858 B13R1.537 COC(=O)[C@H]1CO[C@H](C(=O)O)CO1 Amb33726092 [0,1,0,1,0,0|2,0,0]=4 859 B13R1.537 NC(=O)C1CCC(C(=O)NO)CC1 Amb28400267 [0,1,0,1,0,0|1,0,0]=3 860 B13R1.537 NC(=O)C1CCN(C(=O)CO)CC1 Amb27615741 [0,1,0,1,0,0|2,0,0]=4 861 B13R1.537 O=C(O)C1CCN(C(=O)CBr)CC1 Amb27670301 [0,1,0,1,0,0|2,0,0]=4 862 B13R1.537 O=C(O)C1CCN(C(=O)CCl)CC1 Amb1153225 [0,1,0,1,0,0|2,0,0]=4 863 B13R1.537 O=C(O)C1CCN(C(=O)CO)CC1 Amb5798103 [0,1,0,1,0,0|1,0,0]=3 864 B13R1.537 O=C(O)C1CCN(C(=O)CS)CC1 Amb18962754 [0,1,0,1,0,0|1,1,0]=4 865 B13R1.1781 C=CC(=O)N1CCC(C(=O)O)C1C Amb27792692 [0,1,0,1,0,0|2,0,0]=4 866 B13R1.1781 CCC(=O)N1CCC(C(=O)O)C1C Amb27636298 [0,1,0,1,0,0|2,0,0]=4 867 B13R1.1781 COC(=O)[C@H]1CC[C@@H](C(=O)O)N1C Amb27789956 [0,1,0,1,0,0|1,0,0]=3 868 B13R1.4670 COC(=O)[C@@]1(CO)CCCC(=O)N1 Amb28203963 [0,1,0,1,0,0|2,0,0]=4 869 B13R1.599 COC(=O)CCCN1CCCC1=O Amb8961497 [0,1,0,1,0,0|2,0,0]=4 870 B13R1.706 CCC(C(=O)O)N1CCC(=O)CC1 Amb18291586 [0,1,0,1,0,0|2,0,0]=4 871 B13R1.1706 C#CC(=O)NC1CCC(C(=O)O)C1 Amb27862242 [0,1,0,1,0,0|2,0,0]=4 872 B13R1.1706 C#CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 Amb27803230 [0,1,0,1,0,0|2,0,0]=4 873 B13R1.1706 C=CC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 Amb27490151 [0,1,0,1,0,0|2,0,0]=4 874 B13R1.1706 CCC(=O)NC1CCC(C(=O)O)C1 Amb25360337 [0,1,0,1,0,0|2,0,0]=4 875 B13R1.1706 CCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 Amb24601561 [0,1,0,1,0,0|2,0,0]=4 876 B13R1.1706 CCC(=O)N[C@H]1CC[C@@H](C(=O)O)C1 Amb25362503 [0,1,0,1,0,0|2,0,0]=4 877 B13R1.1706 COC(=O)CC1CCN(C(=O)Cl)C1 Amb33296839 [0,1,0,1,0,0|2,0,0]=4 878 B13R1.1706 COC(=O)C[C@@H]1CN[C@H](C(=O)O)C1 Amb32646099 [0,1,0,1,0,0|1,0,0]=3 879 B13R1.1706 COC(=O)C[C@@H]1CN[C@H](C(=O)O)C1 Amb33038177 [0,1,0,1,0,0|1,0,0]=3 880 B13R1.1721 COC(=O)CCN1CCC1C(N)=O Amb33251353 [0,1,0,1,0,0|2,0,0]=4 881 B13R1.6673 CCC1(C(=O)O)CCCN(C)C1=O Amb8010477 [0,1,0,1,0,0|2,0,0]=4 882 B13R1.111 CCC1C(C(=O)O)CCN1C(C)=O Amb35651167 [0,1,0,1,0,0|2,0,0]=4 883 B13R1.111 CCC1C(C(=O)O)CCN1C(N)=O Amb35650773 [0,1,0,1,0,0|2,0,0]=4 884 B13R1.138 CC(=O)N1C[C@@H](O)[C@H](CC(=O)O)C1 Amb30527441 [0,1,0,1,0,0|2,0,0]=4 885 B13R1.138 CC(=O)OC1CC(C(=O)O)OC1C Amb28340789 [0,1,0,1,0,0|2,0,0]=4 886 B13R1.138 CC1CC(C(=O)O)NC1CC(=O)O Amb27960871 [0,1,0,1,0,0|1,0,0]=3 887 B13R1.138 C[C@H]1C[C@@H](C(=O)O)N[C@@H]1CC(=O)O Amb27206190 [0,1,0,1,0,0|1,0,0]=3 888 B13R1.138 O=C(O)CN1CC(C(=O)O)CC1=O Amb24065911 [0,1,0,1,0,0|1,0,1]=4 889 B13R1.144 CCCN1CCC(C(=O)O)CC1=O Amb26879188 [0,1,0,1,0,0|2,0,0]=4 890 B13R1.144 CCOC1CCC(C(=O)O)OC1=O Amb28396556 [0,1,0,1,0,0|0,0,0]=2 891 B13R1.144 CCOC1CCC(C(N)=O)OC1=O Amb27179331 [0,1,0,1,0,0|1,0,0]=3 892 B13R1.144 O=C(O)C1CCN(CCO)C(=O)C1 Amb33209495 [0,1,0,1,0,0|2,0,0]=4 893 B13R1.366 CCCN1CC(CC(=O)O)OC1=O Amb18821763 [0,1,0,1,0,0|1,0,0]=3 894 B13R1.587 CC(=O)CC1CCCC(C(=O)O)N1 Amb27179119 [0,1,0,1,0,0|2,0,0]=4 895 B13R1.587 CC(=O)CN1CCCC(C(=O)O)C1 Amb23450685 [0,1,0,1,0,0|2,0,0]=4 896 B13R1.587 CC(=O)N1CCCC(CC(=O)O)C1 Amb18286762 [0,1,0,1,0,0|2,0,0]=4 897 B13R1.587 CC(=O)NC1CNCC(C(=O)O)C1 Amb18649293 [0,1,0,1,0,0|2,0,0]=4 898 B13R1.587 CC(=O)N[C@@H]1CNC[C@H](C(=O)O)C1 Amb27878604 [0,1,0,1,0,0|2,0,0]=4 899 B13R1.587 CC(=O)OC1CCCC(C(=O)O)C1 Amb27667108 [0,1,0,1,0,0|2,0,0]=4 900 B13R1.587 CC(=O)O[C@@H]1CCC[C@@H](C(=O)O)C1 Amb28457473 [0,1,0,1,0,0|2,0,0]=4 901 B13R1.587 NC(=O)CC1CCCC(C(N)=O)C1 Amb28077009 [0,1,0,1,0,0|2,0,0]=4 902 B13R1.587 NC(=O)CC1NC(C(=O)O)CCS1 Amb27794303 [0,1,0,1,0,0|2,0,0]=4 903 B13R1.587 NC(=O)CN1CCCC(C(=O)O)C1 Amb22586957 [0,1,0,1,0,0|2,0,0]=4 904 B13R1.587 NC(=O)CN1CCCC(C(=O)O)C1 Amb7088968 [0,1,0,1,0,0|2,0,0]=4 905 B13R1.587 NC(=O)CN1CCOC(C(=O)O)C1 Amb18981908 [0,1,0,1,0,0|2,0,0]=4 906 B13R1.587 NC(=O)CN1CCSC(C(=O)O)C1 Amb29891923 [0,1,0,1,0,0|2,0,0]=4 907 B13R1.587 NC(=O)N1CCCC(CC(=O)O)C1 Amb18286764 [0,1,0,1,0,0|2,0,0]=4 908 B13R1.587 O=C(O)CC1CCC[C@@H](C(=O)O)N1 Amb27405039 [0,1,0,1,0,0|1,0,0]=3 909 B13R1.587 O=C(O)CC1CCNC(C(=O)O)C1 Amb28281795 [0,1,0,1,0,0|0,0,0]=2 910 B13R1.587 O=C(O)CN1CCCC(C(=O)O)C1 Amb17479082 [0,1,0,1,0,0|1,0,0]=3 911 B13R1.587 O=C(O)CN1CCNC(C(=O)O)C1 Amb27405040 [0,1,0,1,0,0|1,0,0]=3 912 B13R1.587 O=C(O)C[C@@H]1CCC[C@@H](C(=O)O)C1 Amb27251550 [0,1,0,1,0,0|0,0,0]=2 913 B13R1.587 O=C(O)C[C@@H]1CCC[C@@H](C(=O)O)N1 Amb27632402 [0,1,0,1,0,0|1,0,0]=3 914 B13R1.3576 CC(=O)N1CCCC1CCC(=O)O Amb31185795 [0,1,0,1,0,0|2,0,0]=4 915 B13R1.3576 NC(=O)NCC1CCCC1C(=O)O Amb27869176 [0,1,0,1,0,0|2,0,0]=4 916 B13R1.3576 O=C(O)C\C=C1\CCCC1C(=O)O Amb27447888 [0,1,0,1,0,0|0,0,2]=4 917 B13R1.3576 O=C(O)\C=C\[C@H]1CCN[C@@H]1C(=O)O Amb28411179 [0,1,0,1,0,0|0,0,2]=4 918 B13R1.7309 CCCC1(C(=O)O)CCCS1(=O)=O Amb32696077 [0,1,0,1,0,0|1,0,1]=4 919 B13R1.7329 C=C1CCCC(OCC)(C(=O)O)C1 Amb27863407 [0,1,0,1,0,0|2,0,0]=4 920 B13R1.7329 CCCC1(C(=O)O)CCNC(=O)C1 Amb32723927 [0,1,0,1,0,0|2,0,0]=4 921 B13R1.7329 CCNC1(C(=O)O)CCCC(O)C1 Amb35704075 [0,1,0,1,0,0|1,0,1]=4 922 B13R1.7329 COCC1(C(=O)O)CCNC(=O)C1 Amb32668818 [0,1,0,1,0,0|2,0,0]=4 923 B13R1.2022 CC(=O)N1CCC(C)(CC(=O)O)C1 Amb26863174 [0,1,0,1,0,0|2,0,0]=4 924 B13R1.2022 C[C@@]1(CC(=O)O)CC[C@@H](C(=O)O)N1 Amb27652885 [0,1,0,1,0,0|1,0,0]=3 925 B13R1.3461 CC1NC(C(=O)O)C(C)C1C(=O)O Amb2695740 [0,1,0,1,0,0|1,0,0]=3 926 B13R1.7465 CC(CC(=O)O)N1CCC1C(N)=O Amb33251358 [0,1,0,1,0,0|2,0,0]=4 927 B13R1.168 CC1OCCC1C(N)CCC(=O)O Amb33427711 [0,1,0,1,0,0|1,0,1]=4 928 B13R1.6538 CCC(C(=O)O)C1CCS(=O)(=O)C1 Amb18290248 [0,1,0,1,0,0|1,0,1]=4 929 B13R1.7177 CCN1C(=O)C[C@H](CC(=O)O)[C@H]1C Amb18191378 [0,1,0,1,0,0|2,0,0]=4 930 B13R1.7587 O=C(O)C1CCS(=O)(=O)CCC1F Amb28130094 [0,1,0,1,0,0|1,0,1]=4 931 B13R1.338 CC(C)(O)C1CCC(C(=O)O)CC1 Amb25951653 [0,1,0,1,0,0|1,0,1]=4 932 B13R1.338 CS(=O)(=O)C1CCC(C(=O)O)CC1 Amb27242556 [0,1,0,1,0,0|1,0,1]=4 933 B13R1.338 NC(=O)[C@H]1CC[C@H](P(=O)(O)O)CC1 Amb27169427 [0,1,0,1,0,0|2,0,0]=4 934 B13R1.338 NS(=O)(=O)C1CCC(C(=O)O)CC1 Amb24649600 [0,1,0,1,0,0|1,0,1]=4 935 B13R1.338 O=C(O)C1CCC(P(=O)(O)O)CC1 Amb28041375 [0,1,0,1,0,0|1,0,0]=3 936 B13R1.338 O=C(O)C1CCN(S(=O)(=O)O)CC1 Amb35705091 [0,1,0,1,0,0|2,0,0]=4 937 B13R1.10926 CCC1(C(=O)O)CCCC(C)(C)O1 Amb27984954 [0,1,0,1,0,0|1,0,1]=4 938 B13R1.169 CC(CCC1CCOC1C)C(=O)O Amb33426814 [0,1,0,1,0,0|1,0,1]=4 939 B13R1.169 NC(=O)C(N)CCC1CCCC1=O Amb33065387 [0,1,0,1,0,0|2,0,0]=4 940 B13R1.169 NC(CCC1CCCC1=O)C(=O)O Amb33036960 [0,1,0,1,0,0|1,0,0]=3 941 B13R1.169 N[C@@H](CCC1CCCC1=O)C(=O)O Amb33065900 [0,1,0,1,0,0|1,0,0]=3 942 B13R1.169 N[C@H](CCC1CCCC1=O)C(=O)O Amb33065680 [0,1,0,1,0,0|1,0,0]=3 943 B13R1.1078 CC(C(=O)O)C1=CC(C(=O)O)CC1 Amb27401823 [0,1,0,1,0,0|0,0,2]=4 944 B13R1.1078 CC(C(=O)O)C1CCC(C(=O)O)C1 Amb27984675 [0,1,0,1,0,0|0,0,0]=2 945 B13R1.1078 N[C@H](C(=O)O)[C@@H]1CC[C@H](C(=O)O)C1 Amb27865480 [0,1,0,1,0,0|0,0,0]=2 946 B13R1.1081 CC(CN1CCC1C(N)=O)C(=O)O Amb33251352 [0,1,0,1,0,0|2,0,0]=4 947 B13R1.1081 NC(=O)C1CCN1CC(N)C(=O)O Amb33251360 [0,1,0,1,0,0|2,0,0]=4 948 B13R1.1081 NC(=O)C1CCN1CC(O)C(=O)O Amb33251362 [0,1,0,1,0,0|2,0,0]=4 949 B13R1.6870 CCC1(C(=O)O)CCC(C(=O)O)C1 Amb27659228 [0,1,0,1,0,0|0,0,0]=2 950 B13R1.6870 O=C(O)[C@H]1CO[C@@](CO)(C(=O)O)O1 Amb27444657 [0,1,0,1,0,0|2,0,0]=4 951 B13R1.7869 C=C1C(C(=O)O)CCC1(C)C(=O)O Amb28397486 [0,1,0,1,0,0|0,0,2]=4 952 B13R1.7869 CC(=O)[C@]1(C)CC[C@H](C(=O)O)[C@H]1C Amb27467819 [0,1,0,1,0,0|1,0,0]=3 953 B13R1.7869 CC1C(C(=O)O)CCC1(N)C(=O)O Amb28384105 [0,1,0,1,0,0|0,0,0]=2 954 B13R1.7869 CC1C(C(N)=O)CCC1(C)C(=O)O Amb27667016 [0,1,0,1,0,0|1,0,0]=3 955 B13R1.7869 C[C@@H]1[C@@H](C(N)=O)CC[C@@]1(C)C(N)=O Amb27637645 [0,1,0,1,0,0|2,0,0]=4 956 B13R1.7869 C[C@@H]1[C@H](C(=O)O)CC[C@@]1(N)C(=O)O Amb27471968 [0,1,0,1,0,0|0,0,0]=2 957 B13R1.7869 C[C@H]1C(C(=O)O)=CC[C@@]1(C)C(=O)O Amb27433952 [0,1,0,1,0,0|0,0,2]=4 958 B13R1.7869 C[C@H]1[C@@H](C(=O)O)CC[C@@]1(C)C(=O)O Amb28319234 [0,1,0,1,0,0|0,0,0]=2 959 B13R1.8764 C=C(C)[C@]1(O)CC[C@@H](C(=O)O)CC1 Amb27657673 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.8764 CC(=O)N1CCC(C)(C(=O)O)CC1 Amb24099454 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.8764 C[C@]1(C(=O)O)CC[C@@H](C(=O)O)CC1 Amb28249204 [0,1,0,1,0,0|0,0,0]=2 962 B13R1.8764 O=C(O)C1CCC(O)(C(=O)O)CC1 Amb27863549 [0,1,0,1,0,0|0,0,0]=2 963 B13R1.5944 CCC1(O)C=CC(C(=O)O)OC1=O Amb27607631 [0,1,0,1,0,0|0,0,2]=4 964 B13R1.5944 NCC1(O)CCC(C(=O)O)NC1=O Amb27765086 [0,1,0,1,0,0|2,0,0]=4 965 B13R1.8677 CC1(C(=O)O)CCC(CC(=O)O)C1 Amb27592112 [0,1,0,1,0,0|0,0,0]=2 966 B13R1.8677 NC(=O)CN1CCC(N)(C(=O)O)C1 Amb27477435 [0,1,0,1,0,0|2,0,0]=4 967 B13R1.8677 NC1(C(=O)O)CCC(CC(=O)O)C1 Amb25124723 [0,1,0,1,0,0|0,0,0]=2 968 B13R1.8677 N[C@]1(C(=O)O)CC[C@H](CC(=O)O)C1 Amb24423491 [0,1,0,1,0,0|0,0,0]=2 969 B13R1.8823 NC1(C(=O)O)CCCS(=O)(=O)CC1 Amb30009582 [0,1,0,1,0,0|1,0,1]=4 970 B13R1.8823 O=C(O)C1(O)CCCS(=O)(=O)CC1 Amb35650284 [0,1,0,1,0,0|1,0,1]=4 971 B13R2.12723 NC(=O)C12CCC(CC1)C(=O)N2 Amb27165748 [0,0,0,2,0,0|2,0,0]=4 972 B13R2.12723 O=C1CC2(C(=O)O)CCC1CC2 Amb27165730 [0,0,0,2,0,0|1,0,0]=3 973 B13R2.12723 O=C1NC2(C(=O)O)CCC1CC2 Amb24470169 [0,0,0,2,0,0|1,0,0]=3 974 B13R2.638 CCC1CC2CC(=O)OC2C1O Amb27970508 [0,0,0,2,0,0|1,0,1]=4 975 B13R2.2891 CCC1C(=O)CC2CC(=O)CC21 Amb27177738 [0,0,0,2,0,0|2,0,0]=4 976 B13R2.2891 CCC1C(=O)C[C@@H]2CC(=O)C[C@H]12 Amb27263014 [0,0,0,2,0,0|2,0,0]=4 977 B13R2.4983 O=C(O)[C@H]1CC[C@@H]2C[C@H]1CC2=O Amb27252206 [0,0,0,2,0,0|1,0,0]=3 978 B13R2.4983 O=C1CC2CC1CCC2C(=O)O Amb28290384 [0,0,0,2,0,0|1,0,0]=3 979 B13R2.4997 C[C@@H]1[C@@H]2C[C@H](C[C@H]2O)[C@H]1C(=O)O Amb27632474 [0,0,0,2,0,0|1,0,1]=4 980 B13R2.12869 O=C(O)CC12CCC(C1)C(=O)C2 Amb28365558 [0,0,0,2,0,0|1,0,0]=3 981 B13R2.12869 O=C(O)CC12CCC(C1)C(=O)N2 Amb32863713 [0,0,0,2,0,0|1,0,0]=3 982 B13R2.3437 CC1OCCC1C2CC2C(=O)O Amb33225341 [0,0,0,2,0,0|1,0,1]=4 983 B13R2.3437 CC1OCCC1[C@@H]2C[C@H]2C(=O)O Amb33427674 [0,0,0,2,0,0|1,0,1]=4 984 B13R2.3473 O=C1CCCC2(CCCC2=O)C1 Amb4011316 [0,0,0,2,0,0|2,0,0]=4 985 B13R2.3473 O=C1CCC[C@]2(CCCC2=O)C1 Amb27177605 [0,0,0,2,0,0|2,0,0]=4 986 B13R2.3732 NC(=O)C1CCN2C(=O)CCC12 Amb27813316 [0,0,0,2,0,0|2,0,0]=4 987 B13R2.3732 NC(=O)[C@H]1CCN2C(=O)CC[C@H]12 Amb28069469 [0,0,0,2,0,0|2,0,0]=4 988 B13R2.3732 O=C1CCC2C1CNC2C(=O)O Amb25751176 [0,0,0,2,0,0|2,0,0]=4 989 B13R2.13917 O=C(O)C1NCC2(C(=O)O)CC12 Amb27665329 [0,0,0,2,0,0|1,0,0]=3 990 B13R2.13965 O=C(O)C1CC2C(C1)C2C(=O)O Amb27955989 [0,0,0,2,0,0|0,0,0]=2 991 B13R2.400 CC(=O)C1CC2CC(=O)OC2C1 Amb27750242 [0,0,0,2,0,0|1,0,0]=3 992 B13R2.400 C[C@H](O)[C@@H]1C[C@@H]2CC(=O)O[C@@H]2C1 Amb28063995 [0,0,0,2,0,0|1,0,1]=4 993 B13R2.400 O=C1CC2CC(C(=O)O)CC2C1 Amb27946818 [0,0,0,2,0,0|1,0,0]=3 994 B13R2.400 O=C1CC2CC(C(=O)O)OC2O1 Amb28121957 [0,0,0,2,0,0|1,0,0]=3 995 B13R2.400 O=C1C[C@@H]2CC(C(=O)O)C[C@@H]2C1 Amb28126519 [0,0,0,2,0,0|1,0,0]=3 996 B13R2.400 O=C1C[C@@H]2C[C@H](C(=O)O)O[C@@H]2O1 Amb27776761 [0,0,0,2,0,0|1,0,0]=3 997 B13R2.400 O=C1O[C@H]2CC(C(=O)O)C[C@H]2O1 Amb35750782 [0,0,0,2,0,0|1,0,0]=3 998 B13R2.3291 O=C1CC2CC(C1)C(C(=O)O)C2 Amb27165744 [0,0,0,2,0,0|1,0,0]=3 999 B13R2.3291 O=C1CC2CC(N1)C(C(=O)O)C2 Amb23596980 [0,0,0,2,0,0|1,0,0]=3 1000 B13R2.3291 O=C1C[C@@H]2C[C@@H](C1)CC2C(=O)O Amb27659256 [0,0,0,2,0,0|1,0,0]=3 1001 B13R2.3335 O=C1CC2C(CCC2C(=O)O)O1 Amb27411873 [0,0,0,2,0,0|2,0,0]=4 1002 B13R2.3335 O=C1CC2CNC(C(=O)O)C2C1 Amb27770830 [0,0,0,2,0,0|2,0,0]=4 1003 B13R2.10845 O=C1CC2CCC(C(=O)O)(C2)N1 Amb23596977 [0,0,0,2,0,0|1,0,0]=3 1004 B13R2.13670 CC(=O)N1CC2CC1C2C(=O)O Amb27627155 [0,0,0,2,0,0|2,0,0]=4 1005 B13R2.13915 O=C(O)C1NCC2C(C(=O)O)C12 Amb27397763 [0,0,0,2,0,0|1,0,0]=3 1006 B13R2.13915 O=C(O)[C@H]1NC[C@@H]2[C@H](C(=O)O)[C@H]12 Amb28060785 [0,0,0,2,0,0|1,0,0]=3 1007 B13R2.13986 C[C@]1(O)C[C@H]2C[C@H](C(=O)O)[C@@H]1C2 Amb27985086 [0,0,0,2,0,0|1,0,1]=4 1008 B13R2.7614 CCC1(C(=O)O)CC2CCC1O2 Amb24696215 [0,0,0,2,0,0|1,0,1]=4 1009 B13R2.10099 C[C@@H]1CCC(C2(C(=O)O)CC2)O1 Amb33423865 [0,0,0,2,0,0|1,0,1]=4 1010 B13R2.10237 O=C1CCCC2(C(=O)Cl)CCC12 Amb25691382 [0,0,0,2,0,0|2,0,0]=4 1011 B13R2.10237 O=C1CCC[C@@]2(C(=O)Cl)CC[C@@H]12 Amb27265986 [0,0,0,2,0,0|2,0,0]=4 1012 B13R2.10237 O=C1CCC[C@]2(C(=O)O)CC[C@H]12 Amb28384491 [0,0,0,2,0,0|1,0,0]=3 1013 B13R2.4811 C[C@@]12CC(=O)O[C@@H]1C[C@@H]2C(=O)O Amb27195809 [0,0,0,2,0,0|2,0,0]=4 1014 B13R2.10395 C[C@H]1[C@@H](C(=O)O)CC[C@@H]2O[C@@]21C Amb27440429 [0,0,0,2,0,0|1,0,1]=4 1015 B13R2.23089 O=C(O)C1C2CCS(=O)(=O)CC21 Amb24754225 [0,0,0,2,0,0|1,0,1]=4 1016 B9R0.43 CCC(C#N)CCC(=O)O Amb18643712 [1,0,0,0,1,0|1,0,1]=4 1017 B9R0.43 CCC(C=O)CCC(C)=O Amb18643911 [1,0,0,0,1,0|1,0,0]=3 1018 B9R0.43 CCC(C=O)COC(C)=O Amb28321979 [1,0,0,0,1,0|2,0,0]=4 1019 B9R0.43 CCC(CC)CCC(=O)O Amb27462787 [1,0,0,0,1,0|1,0,1]=4 1020 B9R0.43 CCC(CCC(=O)O)NC Amb27230822 [1,0,0,0,1,0|2,0,0]=4 1021 B9R0.43 CCC(CCC(=O)O)OC Amb26936159 [1,0,0,0,1,0|2,0,0]=4 1022 B9R0.43 CCC(CO)CCC(C)=O Amb8395984 [1,0,0,0,1,0|1,0,1]=4 1023 B9R0.43 CCN(C=O)CCC(C)=O Amb24458250 [1,0,0,0,1,0|2,0,0]=4 1024 B9R0.43 CC[C@H](C=O)CCC(C)=O Amb24573990 [1,0,0,0,1,0|1,0,0]=3 1025 B9R0.43 CC\C(CCC(=O)O)=N/O Amb27459310 [1,0,0,0,1,0|1,0,1]=4 1026 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [1,0,0,0,1,0|2,0,0]=4 1027 B9R0.7 C=C(C)CCC(C)C(=O)O Amb25809141 [1,0,0,0,1,0|2,0,0]=4 1028 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [1,0,0,0,1,0|0,0,2]=4 1029 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [1,0,0,0,1,0|1,0,0]=3 1030 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [1,0,0,0,1,0|2,0,0]=4 1031 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [1,0,0,0,1,0|2,0,0]=4 1032 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [1,0,0,0,1,0|2,0,0]=4 1033 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [1,0,0,0,1,0|2,0,0]=4 1034 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [1,0,0,0,1,0|2,0,0]=4 1035 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [1,0,0,0,1,0|2,0,0]=4 1036 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [1,0,0,0,1,0|2,0,0]=4 1037 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [1,0,0,0,1,0|2,0,0]=4 1038 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [1,0,0,0,1,0|2,0,0]=4 1039 B9R0.7 CC(=O)N(C)CCC(=O)O Amb2691290 [1,0,0,0,1,0|2,0,0]=4 1040 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [1,0,0,0,1,0|2,0,0]=4 1041 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [1,0,0,0,1,0|2,0,0]=4 1042 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [1,0,0,0,1,0|2,0,0]=4 1043 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [1,0,0,0,1,0|2,0,0]=4 1044 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [1,0,0,0,1,0|2,0,0]=4 1045 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [1,0,0,0,1,0|1,0,0]=3 1046 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [1,0,0,0,1,0|0,0,0]=2 1047 B9R0.7 CC(CCS(C)=O)C(=O)O Amb27237254 [1,0,0,0,1,0|2,0,0]=4 1048 B9R0.7 CC(CC[N+](=O)[O-])C(=O)O Amb27425087 [1,0,0,0,1,0|1,0,1]=4 1049 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [1,0,0,0,1,0|2,0,0]=4 1050 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [1,0,0,0,1,0|1,0,0]=3 1051 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [1,0,0,0,1,0|1,0,0]=3 1052 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [1,0,0,0,1,0|2,0,0]=4 1053 B9R0.7 CC(O)C(C)CCC(=O)O Amb27424805 [1,0,0,0,1,0|1,0,1]=4 1054 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [1,0,0,0,1,0|1,0,0]=3 1055 B9R0.7 CN(CCC(=O)O)C(N)=O Amb18984979 [1,0,0,0,1,0|2,0,0]=4 1056 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [1,0,0,0,1,0|0,0,0]=2 1057 B9R0.7 C[C@@H](CC[N+](=O)[O-])C(=O)O Amb24330210 [1,0,0,0,1,0|1,0,1]=4 1058 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [1,0,0,0,1,0|2,0,0]=4 1059 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [1,0,0,0,1,0|1,0,0]=3 1060 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [1,0,0,0,1,0|0,0,0]=2 1061 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O Amb13883662 [1,0,0,0,1,0|1,0,1]=4 1062 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [1,0,0,0,1,0|2,0,0]=4 1063 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [1,0,0,0,1,0|1,0,0]=3 1064 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [1,0,0,0,1,0|1,0,0]=3 1065 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [1,0,0,0,1,0|2,0,0]=4 1066 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [1,0,0,0,1,0|0,0,2]=4 1067 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [1,0,0,0,1,0|0,0,2]=4 1068 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [1,0,0,0,1,0|1,0,1]=4 1069 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [1,0,0,0,1,0|2,0,0]=4 1070 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [1,0,0,0,1,0|2,0,0]=4 1071 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [1,0,0,0,1,0|2,0,0]=4 1072 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [1,0,0,0,1,0|2,0,0]=4 1073 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [1,0,0,0,1,0|2,0,0]=4 1074 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [1,0,0,0,1,0|2,0,0]=4 1075 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [1,0,0,0,1,0|2,0,0]=4 1076 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [1,0,0,0,1,0|2,0,0]=4 1077 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [1,0,0,0,1,0|2,0,0]=4 1078 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [1,0,0,0,1,0|1,0,0]=3 1079 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [1,0,0,0,1,0|1,0,0]=3 1080 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [1,0,0,0,1,0|1,0,1]=4 1081 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [1,0,0,0,1,0|2,0,0]=4 1082 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [1,0,0,0,1,0|1,0,0]=3 1083 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [1,0,0,0,1,0|1,0,0]=3 1084 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [1,0,0,0,1,0|1,0,0]=3 1085 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [1,0,0,0,1,0|1,0,1]=4 1086 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [1,0,0,0,1,0|1,1,0]=4 1087 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [1,0,0,0,1,0|2,0,0]=4 1088 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [1,0,0,0,1,0|2,0,0]=4 1089 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [1,0,0,0,1,0|2,0,0]=4 1090 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [1,0,0,0,1,0|1,0,0]=3 1091 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [1,0,0,0,1,0|1,0,1]=4 1092 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [1,0,0,0,1,0|1,0,1]=4 1093 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [1,0,0,0,1,0|1,0,1]=4 1094 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [1,0,0,0,1,0|1,0,0]=3 1095 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [1,0,0,0,1,0|1,0,0]=3 1096 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [1,0,0,0,1,0|1,0,0]=3 1097 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [1,0,0,0,1,0|1,0,0]=3 1098 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [1,0,0,0,1,0|1,0,0]=3 1099 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [1,0,0,0,1,0|1,0,0]=3 1100 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [1,0,0,0,1,0|1,0,0]=3 1101 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [1,0,0,0,1,0|1,0,0]=3 1102 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,0,0,0,2,0|2,0,0]=4 1103 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,0,0,0,2,0|2,0,0]=4 1104 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [0,0,0,0,2,0|2,0,0]=4 1105 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [0,0,0,0,2,0|0,0,0]=2 1106 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,0,0,0,2,0|1,0,1]=4 1107 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,0,0,0,2,0|1,0,0]=3 1108 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [0,0,0,0,2,0|2,0,0]=4 1109 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,0,0,0,2,0|1,0,1]=4 1110 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [0,0,0,0,2,0|2,0,0]=4 1111 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [0,0,0,0,2,0|2,0,0]=4 1112 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [0,0,0,0,2,0|2,0,0]=4 1113 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [0,0,0,0,2,0|2,0,0]=4 1114 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [0,0,0,0,2,0|2,0,0]=4 1115 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [0,0,0,0,2,0|0,0,0]=2 1116 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [0,0,0,0,2,0|2,0,0]=4 1117 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [0,0,0,0,2,0|0,0,0]=2 1118 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [0,0,0,0,2,0|2,0,0]=4 1119 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [0,0,0,0,2,0|2,0,0]=4 1120 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [0,0,0,0,2,0|0,0,2]=4 1121 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [0,0,0,0,2,0|1,0,0]=3 1122 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [0,0,0,0,2,0|1,0,0]=3 1123 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [0,0,0,0,2,0|2,0,0]=4 1124 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [0,0,0,0,2,0|2,0,0]=4 1125 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [0,0,0,0,2,0|1,0,0]=3 1126 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [0,0,0,0,2,0|1,0,0]=3 1127 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [0,0,0,0,2,0|2,0,0]=4 1128 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [0,0,0,0,2,0|2,0,0]=4 1129 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [0,0,0,0,2,0|2,0,0]=4 1130 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [0,0,0,0,2,0|1,0,0]=3 1131 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [0,0,0,0,2,0|1,0,0]=3 1132 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [0,0,0,0,2,0|0,0,2]=4 1133 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [0,0,0,0,2,0|0,0,2]=4 1134 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [0,0,0,0,2,0|1,0,1]=4 1135 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [0,0,0,0,2,0|2,0,0]=4 1136 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,0,0,0,2,0|1,0,0]=3 1137 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,0,0,0,2,0|1,0,0]=3 1138 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [0,0,0,0,2,0|2,0,0]=4 1139 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [0,0,0,0,2,0|2,0,0]=4 1140 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [0,0,0,0,2,0|1,0,0]=3 1141 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [0,0,0,0,2,0|1,0,0]=3 1142 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [0,0,0,0,2,0|2,0,0]=4 1143 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [0,0,0,0,2,0|2,0,0]=4 1144 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [0,0,0,0,2,0|2,0,0]=4 1145 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [0,0,0,0,2,0|2,0,0]=4 1146 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [0,0,0,0,2,0|2,0,0]=4 1147 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [0,0,0,0,2,0|2,0,0]=4 1148 B11R0.6 CC(=O)NN(C)CCCC(=O)O Amb32430233 [1,0,0,0,0,1|2,0,0]=4 1149 B11R0.29 CC(=O)C(C)CCCCC(=O)O Amb20668227 [1,0,0,0,0,1|1,0,0]=3 1150 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [1,0,0,0,0,1|2,0,0]=4 1151 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [1,0,0,0,0,1|2,0,0]=4 1152 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [1,0,0,0,0,1|2,0,0]=4 1153 B11R0.29 CC(=O)N(C)CCCCC(=O)O Amb32683389 [1,0,0,0,0,1|2,0,0]=4 1154 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb33068968 [1,0,0,0,0,1|2,0,0]=4 1155 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb9326973 [1,0,0,0,0,1|2,0,0]=4 1156 B11R0.29 CC(SCCCC(=O)O)C(=O)O Amb17503620 [1,0,0,0,0,1|0,0,0]=2 1157 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [1,0,0,0,0,1|2,0,0]=4 1158 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [1,0,0,0,0,1|2,0,0]=4 1159 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [1,0,0,0,0,1|2,0,0]=4 1160 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [1,0,0,0,0,1|2,0,0]=4 1161 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [1,0,0,0,0,1|1,0,0]=3 1162 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [1,0,0,0,0,1|1,0,0]=3 1163 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [1,0,0,0,0,1|1,0,0]=3 1164 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [1,0,0,0,0,1|1,0,1]=4 1165 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [1,0,0,0,0,1|1,0,1]=4 1166 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [1,0,0,0,0,1|1,0,0]=3 1167 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [1,0,0,0,0,1|1,0,1]=4 1168 B11R0.29 O=C(O)CCSCC(=O)C(=O)O Amb33069682 [1,0,0,0,0,1|1,0,1]=4 1169 B13R0.1157 CCN(CCCC(=O)O)CCC(=O)O Amb18101162 [0,0,0,0,0,2|1,0,0]=3