0 B8R0.23 BrC(C(=O)O)CC(C)C Amb16233356 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 C=C(CC(N)=O)C(N)=O Amb25338425 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22731973 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732122 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22732709 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.23 C=C(CC([O-])=O)C([O-])=O Amb22734239 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.23 CC(=C)C(N)CC(N)=O Amb24401112 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.23 CC(=C)CC(=C)C(O)=O Amb24669131 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.23 CC(=C)CC(C)C(N)=O Amb24475657 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.23 CC(=CC(N)=O)C(O)=O Amb24744881 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.23 CC(=O)C(=O)CC(C)=O Amb25806867 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.23 CC(=O)C(C)OC(=O)Cl Amb24721759 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.23 CC(=O)C(C)SC(C)=O Amb25833387 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.23 CC(=O)C(O)=CC(O)=O Amb25261166 [0,0,0,0,0,0|1,0,2]=3 36 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,0,0,0,0,0|1,0,0]=1 37 B8R0.23 CC(=O)C(O)CN(C)C Amb24571624 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,0,0,0,0,0|1,0,2]=3 39 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [0,0,0,0,0,0|2,1,0]=3 41 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,0,0,0,0,0|1,0,0]=1 44 B8R0.23 CC(=O)C[C@@H](C)C(C)=C Amb25347412 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,0,0,0,0,0|1,0,0]=1 48 B8R0.23 CC(=O)NC(C(=O)N)N Amb10558230 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl Amb25032144 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.23 CC(=O)N[C@@H](C)C(N)=O Amb22168264 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.23 CC(=O)N[C@H](C)C(N)=O Amb24478101 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,0,0,0,0,0|3,0,0]=3 55 B8R0.23 CC(=O)O[C@@H](C)C(N)=O Amb25733380 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.23 CC(=O)[C@@H](C)OC(C)=O Amb25205804 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,0,0,0,0,0|2,0,0]=2 60 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,0,0,0,0,0|2,0,0]=2 61 B8R0.23 CC(=O)[C@H](C)NC(C)=O Amb24072918 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.23 CC(=O)\C(\C)=C\C(O)=O Amb22359749 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.23 CC(=O)\C=C(/Br)\C(O)=O Amb24739508 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.23 CC(=O)\C=C(/C)\C(O)=O Amb18642577 [0,0,0,0,0,0|2,0,2]=4 65 B8R0.23 CC(=O)\C=C(\C)/C(O)=O Amb24582978 [0,0,0,0,0,0|2,0,2]=4 66 B8R0.23 CC(=O)\C=C(\O)/C(O)=O Amb25856143 [0,0,0,0,0,0|1,0,2]=3 67 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,0,0,0,0,0|2,1,0]=3 68 B8R0.23 CC(=S)N[C@@H](C)C(O)=O Amb24529119 [0,0,0,0,0,0|3,1,0]=4 69 B8R0.23 CC(C(C)C)CC(=O)O Amb10844380 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.23 CC(C)=C(C)CC(O)=O Amb18642613 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.23 CC(C)=C[C@@H](C)C(O)=O Amb25794277 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.23 CC(C)C(F)CC(O)=O Amb25854273 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.23 CC(C)C(O)CC(C)=O Amb24079595 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.23 CC(C)C(O)CC(N)=O Amb24481942 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.23 CC(C)CC(C)C(O)=O Amb18975244 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.23 CC(C)CC(F)C(O)=O Amb24565634 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [0,0,0,0,0,0|2,1,1]=4 81 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.23 CC(C)C[C@@H](Br)C(O)=O Amb24648832 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.23 CC(C)C[C@@H](Cl)C(O)=O Amb22800398 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.23 CC(C)C[C@@H](F)C(O)=O Amb24616998 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.23 CC(C)C[C@H](Br)C(O)=O Amb22226489 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.23 CC(C)C[C@H](Cl)C(O)=O Amb22388637 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.23 CC(C)C[C@H](O)C(N)=O Amb24548495 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [0,0,0,0,0,0|2,1,1]=4 93 B8R0.23 CC(C)[C@@H](N)CC(O)=O Amb22226647 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.23 CC(C)[C@@H](O)CC(C)=O Amb25147078 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.23 CC(C)[C@@H](O)CC(O)=O Amb25761246 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.23 CC(C)[C@H](N)CC(O)=O Amb20240790 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.23 CC(C)[C@H](O)CC(C)=O Amb25135567 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.23 CC(C)[C@H](O)CC(O)=O Amb24561913 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,0,0|3,0,0]=3 100 B8R0.23 CC(CC(C)=O)C(C)O Amb24339979 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.23 CC(CC(C)=O)S(C)=O Amb25712236 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.23 CC(CC(C)N)C(O)=O Amb20620336 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.23 CC(CC(C)O)C(C)=O Amb25682085 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.23 CC(CC(F)F)C(O)=O Amb22896466 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.23 CC(CC(N)=O)C(N)=N Amb25325023 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.23 CC(CC(O)=O)C(C)N Amb23536744 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,0,0,0,0,0|2,0,0]=2 109 B8R0.23 CC(CC(O)=O)N(C)N Amb25699365 [0,0,0,0,0,0|4,0,0]=4 110 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.23 CC(CC([O-])=O)S([O-])=O Amb22470749 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.23 CC(CS([O-])=O)C([O-])=O Amb22470748 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.23 CC(N=C(N)S)C(O)=O Amb22229340 [0,0,0,0,0,0|3,1,0]=4 117 B8R0.23 CC(NC(=O)Cl)C(=O)Cl Amb25049171 [0,0,0,0,0,0|4,0,0]=4 118 B8R0.23 CC(NC(N)=N)C(O)=O Amb22522920 [0,0,0,0,0,0|4,0,0]=4 119 B8R0.23 CC(NC(S)=S)C(O)=O Amb25336384 [0,0,0,0,0,0|2,2,0]=4 120 B8R0.23 CC(NS(C)=O)C(O)=O Amb25241916 [0,0,0,0,0,0|4,0,0]=4 121 B8R0.23 CC(O)=CC(=O)C(O)=O Amb25047399 [0,0,0,0,0,0|1,0,3]=4 122 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [0,0,0,0,0,0|2,0,1]=3 123 B8R0.23 CC(O)C(O)CC(C)=C Amb24740055 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.23 CC(O)C(O)CC(C)=O Amb25708226 [0,0,0,0,0,0|2,0,1]=3 125 B8R0.23 CC(O)CC(=O)C(O)=O Amb25789747 [0,0,0,0,0,0|1,0,3]=4 126 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,0,0,0,0,0|2,0,1]=3 127 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [0,0,0,0,0,0|2,0,1]=3 128 B8R0.23 CC(O)CC(O)C(N)=O Amb24523077 [0,0,0,0,0,0|2,0,1]=3 129 B8R0.23 CC(OC(N)=S)C(O)=O Amb25732591 [0,0,0,0,0,0|3,1,0]=4 130 B8R0.23 CC(S)CC(O)C(O)=O Amb25032270 [0,0,0,0,0,0|1,1,1]=3 131 B8R0.23 CN(C)CC(F)C(O)=O Amb25178248 [0,0,0,0,0,0|4,0,0]=4 132 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [0,0,0,0,0,0|4,0,0]=4 133 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [0,0,0,0,0,0|4,0,0]=4 134 B8R0.23 CN(C)CC(O)C(N)=O Amb24333804 [0,0,0,0,0,0|4,0,0]=4 135 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [0,0,0,0,0,0|4,0,0]=4 136 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [0,0,0,0,0,0|4,0,0]=4 137 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [0,0,0,0,0,0|4,0,0]=4 138 B8R0.23 CN(C)C[C@H](O)C(O)=O Amb24372674 [0,0,0,0,0,0|3,0,0]=3 139 B8R0.23 CN(CC(O)=O)C(N)=N Amb22002328 [0,0,0,0,0,0|4,0,0]=4 140 B8R0.23 CN(CC(O)=O)C(N)=N Amb22167307 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.23 CN(CC(O)=O)C(N)=S Amb25115737 [0,0,0,0,0,0|3,1,0]=4 142 B8R0.23 CN(CC(O)=O)[13C](N)=N Amb22367285 [0,0,0,0,0,0|4,0,0]=4 143 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [0,0,0,0,0,0|3,0,0]=3 145 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [0,0,0,0,0,0|2,0,0]=2 146 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [0,0,0,0,0,0|3,0,0]=3 147 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [0,0,0,0,0,0|3,0,0]=3 148 B8R0.23 C[C@@H](C(=O)O)CC(C)C Amb10844070 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.23 C[C@@H](C(C)C)CC(=O)O Amb10844387 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.23 C[C@@H](CC(O)=O)C(Cl)Cl Amb24480304 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,0,0,0,0,0|1,0,0]=1 152 B8R0.23 C[C@@H](N)[C@@H](O)CC(O)=O Amb25188895 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.23 C[C@@H](N)[C@H](O)CP(O)=O Amb25236573 [0,0,0,0,0,0|3,0,1]=4 154 B8R0.23 C[C@@H](NC(S)=S)C(O)=O Amb25073818 [0,0,0,0,0,0|2,2,0]=4 155 B8R0.23 C[C@@H](O)CC(=O)C(O)=O Amb25239377 [0,0,0,0,0,0|1,0,3]=4 156 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [0,0,0,0,0,0|2,0,1]=3 157 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [0,0,0,0,0,0|1,0,1]=2 158 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.23 C[C@H](C(=O)O)CC(C)C Amb10844071 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.23 C[C@H](C(=O)O)CN(C)C Amb10844031 [0,0,0,0,0,0|4,0,0]=4 162 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,0,0,0,0,0|3,0,0]=3 163 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,0,0,0,0,0|2,0,0]=2 164 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,0,0,0,0,0|1,0,0]=1 165 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.23 C[C@H](N)[C@@H](O)CC(O)=O Amb25727721 [0,0,0,0,0,0|2,0,1]=3 167 B8R0.23 C[C@H](NC(N)=N)C(O)=O Amb24388432 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.23 C[C@H](O)CC(=O)C(O)=O Amb25859340 [0,0,0,0,0,0|1,0,3]=4 169 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,0,0,0,0,0|2,0,1]=3 170 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [0,0,0,0,0,0|2,0,1]=3 171 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,0,0,0,0,0|3,0,0]=3 172 B8R0.23 C[S+](C)CC(O)C(O)=O Amb24373144 [0,0,0,0,0,0|3,0,0]=3 173 B8R0.23 C\C(=C\C(N)=O)\C(O)=O Amb25199871 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.23 C\C(=C\C(O)=O)\C(=N)O Amb24387420 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.23 C\C(\Cl)=C\C(Cl)C(O)=O Amb24710290 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.23 ClC(=O)CC(=C)C(Cl)=O Amb17938995 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.23 ClC(C(=O)O)CC(C)C Amb17593753 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.23 F[C@H](C(=O)O)CC(C)C Amb10841083 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [0,0,0,0,0,0|3,0,0]=3 180 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [0,0,0,0,0,0|3,0,0]=3 181 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,0,0,0,0,0|1,0,0]=1 183 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,0,0,0,0,0|1,0,2]=3 184 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [0,0,0,0,0,0|3,0,0]=3 185 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,0,0,0,0,0|2,0,0]=2 186 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,0,0,0,0,0|1,0,0]=1 187 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,0,0,0,0,0|2,0,0]=2 188 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,0,0,0,0,0|2,0,0]=2 189 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,0,0,0,0,0|2,0,0]=2 190 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,0,0,0,0,0|2,0,0]=2 191 B8R0.23 NC(=O)NC(=O)C(O)=O Amb18124345 [0,0,0,0,0,0|2,0,2]=4 192 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,0,0,0,0,0|2,0,0]=2 194 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,0,0,0,0,0|2,0,0]=2 195 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [0,0,0,0,0,0|2,0,0]=2 198 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [0,0,0,0,0,0|3,0,0]=3 199 B8R0.23 NC(=O)\C=C(\Cl)/C(O)=O Amb24540540 [0,0,0,0,0,0|2,0,2]=4 200 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,0,0,0,0,0|2,1,0]=3 201 B8R0.23 NC(=S)N(N)CC(O)=O Amb24744103 [0,0,0,0,0,0|3,1,0]=4 202 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [0,0,0,0,0,0|3,0,1]=4 204 B8R0.23 NC(C(C)C)CC(=O)O Amb2436060 [0,0,0,0,0,0|3,0,1]=4 205 B8R0.23 NC(C=C(Cl)Cl)C(O)=O Amb22350718 [0,0,0,0,0,0|3,0,1]=4 206 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.23 NC(CC(O)=O)C(F)F Amb23570587 [0,0,0,0,0,0|3,0,1]=4 208 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,0,0,0,0,0|1,0,0]=1 209 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,0,0,0,0,0|1,0,1]=2 210 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,0,0,0,0,0|1,0,1]=2 211 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,0,0,0,0,0|1,0,1]=2 212 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,0,0,0,0,0|1,0,1]=2 213 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,0,0,0,0,0|1,0,1]=2 214 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,0,0,0,0,0|1,0,0]=1 215 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,0,0,0,0,0|1,0,1]=2 216 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [0,0,0,0,0,0|1,0,2]=3 217 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [0,0,0,0,0,0|2,2,0]=4 218 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [0,0,0,0,0,0|2,0,1]=3 219 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,0,0,0,0,0|2,0,0]=2 221 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,0,0,0,0,0|1,0,0]=1 222 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,0,0,0,0,0|1,0,0]=1 223 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [0,0,0,0,0,0|2,0,1]=3 224 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,0,0,0,0,0|1,0,0]=1 225 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,0,0,0,0,0|1,0,0]=1 226 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,0,0,0,0,0|2,0,0]=2 227 B8R0.23 N[C@@H](C(C)C)CC(=O)O Amb16184024 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [0,0,0,0,0,0|2,0,1]=3 229 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,0,0,0,0,0|1,0,1]=2 231 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,0,0,0,0,0|1,0,1]=2 232 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,0,0,0,0,0|1,0,1]=2 233 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,0,0,0,0,0|1,0,1]=2 234 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,0,0,0,0,0|1,0,1]=2 235 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,0,0,0,0,0|1,0,1]=2 236 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,0,0,0,0,0|1,0,1]=2 237 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [0,0,0,0,0,0|1,0,2]=3 238 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [0,0,0,0,0,0|1,0,2]=3 239 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [0,0,0,0,0,0|1,0,2]=3 240 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [0,0,0,0,0,0|1,0,2]=3 241 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,0,0,0,0,0|2,0,0]=2 242 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [0,0,0,0,0,0|2,0,1]=3 243 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,0,0,0,0,0|1,0,0]=1 244 B8R0.23 N[C@H](C(C)C)CC(=O)O Amb16184030 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,0,0,0,0,0|2,0,0]=2 247 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,0,0,0,0,0|2,0,0]=2 248 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [0,0,0,0,0,0|2,2,0]=4 249 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,0,0,0,0,0|2,0,0]=2 250 B8R0.23 O=C(Cl)C(Cl)CS(=O)Cl Amb24741781 [0,0,0,0,0,0|4,0,0]=4 251 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [0,0,0,0,0,0|3,0,0]=3 252 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,0,0,0,0,0|0,1,1]=2 253 B8R0.23 OC(=O)C(Cl)C=C(Cl)Cl Amb24635775 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.23 OC(=O)C(Cl)CC(Cl)Cl Amb25350003 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,0,0,0,0,0|2,0,0]=2 256 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,0,0,0,0,0|1,0,0]=1 257 B8R0.23 OC(=O)C(O)C=C(Cl)Cl Amb24355502 [0,0,0,0,0,0|2,0,1]=3 258 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,0,0,0,0,0|0,1,0]=1 259 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,0,0,0,0,0|0,0,0]=0 260 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,0,0,0,0,0|0,1,0]=1 261 B8R0.23 OC(=O)CC(=C(Cl)Cl)Cl Amb2227973 [0,0,0,0,0,0|3,0,1]=4 262 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,0,0,0,0,0|1,0,2]=3 263 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,0,0,0,0,0|1,0,0]=1 264 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,0,0,0,0,0|1,0,0]=1 265 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,0,0,0,0,0|0,0,0]=0 266 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [0,0,0,0,0,0|1,0,1]=2 267 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.23 OC(=O)CN(C(=S)S)C Amb1042470 [0,0,0,0,0,0|2,2,0]=4 270 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,0,0,0,0,0|1,0,0]=1 271 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [0,0,0,0,0,0|2,0,1]=3 272 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,0,0,0,0,0|0,0,0]=0 273 B8R0.23 OC(=O)[C@@H](Cl)CC(Cl)Cl Amb25061364 [0,0,0,0,0,0|3,0,1]=4 274 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,0,0,0,0,0|1,0,0]=1 275 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,0,0,0,0,0|0,1,0]=1 276 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,0,0,0,0,0|1,0,0]=1 277 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,0,0,0,0,0|1,0,0]=1 278 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,0,0,0,0,0|0,1,0]=1 279 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,0,0,0,0,0|1,0,2]=3 280 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,0,0,0,0,0|1,0,2]=3 281 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,0,0,0,0,0|1,0,2]=3 282 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,0,0,0,0,0|1,0,2]=3 283 B8R0.23 OC(C(C)C)CC(=O)O Amb17231878 [0,0,0,0,0,0|2,0,1]=3 284 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [0,0,0,0,0,0|2,0,0]=2 285 B8R0.23 OC(CC(F)F)C(O)=O Amb25274709 [0,0,0,0,0,0|2,0,1]=3 286 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [0,0,0,0,0,0|0,0,2]=2 287 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,0,0,0,0,0|0,0,0]=0 288 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [0,0,0,0,0,0|2,0,0]=2 289 B8R0.23 O[C@H](C(=O)O)CC(C)C Amb16232074 [0,0,0,0,0,0|2,0,1]=3 290 B8R0.23 O[C@H](CC(F)F)C(O)=O Amb24641140 [0,0,0,0,0,0|2,0,1]=3 291 B8R0.23 [13CH3]N(CC(O)=O)C(N)=N Amb22367286 [0,0,0,0,0,0|4,0,0]=4 292 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [0,0,0,0,0,0|3,0,1]=4 293 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,0,0,0,0,0|2,0,0]=2 294 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,0,0,0,0,0|2,0,0]=2 295 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,0,0,0,0,0|1,0,0]=1 296 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,0,0,0,0,0|1,0,0]=1 297 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,0,0,0,0,0|1,0,0]=1 298 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,0,0,0,0,0|2,0,0]=2 299 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,0,0,0,0,0|1,0,0]=1 300 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [0,0,0,0,0,0|0,0,2]=2 301 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [0,0,0,0,0,0|0,1,2]=3 302 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,0,0,0,0,0|0,0,1]=1 303 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [0,0,0,0,0,0|0,0,2]=2 304 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [0,0,0,0,0,0|0,0,2]=2 305 B7R0.2 C#CC(N)CC(O)=O Amb24529562 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.2 C#CC(O)CC(O)=O Amb25737576 [1,0,0,0,0,0|1,0,1]=3 307 B7R0.2 C=C(Br)C[C@H](O)CO Amb25369386 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.2 C=C(CC(O)=O)C=C Amb24561923 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.2 C=C(Cl)CC(O)CO Amb24482396 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.2 C=C(Cl)C[C@H](O)CO Amb24560451 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [1,0,0,0,0,0|2,0,0]=3 312 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [1,0,0,0,0,0|2,0,0]=3 313 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [1,0,0,0,0,0|2,0,0]=3 314 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.2 C=CC(O)CC(=C)Br Amb25267039 [1,0,0,0,0,0|3,0,0]=4 316 B7R0.2 C=CC(O)CC(N)=O Amb25799663 [1,0,0,0,0,0|2,0,0]=3 317 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [1,0,0,0,0,0|1,0,0]=2 318 B7R0.2 C=CN(Br)CC(O)=O Amb24629979 [1,0,0,0,0,0|3,0,0]=4 319 B7R0.2 C=C[C@@H](O)CC(N)=S Amb24745942 [1,0,0,0,0,0|2,1,0]=4 320 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [1,0,0,0,0,0|1,0,0]=2 321 B7R0.2 C=C[C@H](O)CC(N)=S Amb25772079 [1,0,0,0,0,0|2,1,0]=4 322 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [1,0,0,0,0,0|1,0,0]=2 323 B7R0.2 CC(=C)CC(O)C=C Amb24062963 [1,0,0,0,0,0|3,0,0]=4 324 B7R0.2 CC(=C)C[C@H](O)CO Amb25235652 [1,0,0,0,0,0|2,0,1]=4 325 B7R0.2 CC(=CC(O)=O)C=O Amb25378040 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.2 CC(=O)CC(=S)C=O Amb25142738 [1,0,0,0,0,0|1,1,1]=4 327 B7R0.2 CC(=O)CC(O)C#C Amb24690832 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.2 CC(=O)CC(O)C=C Amb25103770 [1,0,0,0,0,0|2,0,0]=3 329 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [1,0,0,0,0,0|1,0,0]=2 330 B7R0.2 CC(=O)CC(O)CO Amb25304727 [1,0,0,0,0,0|1,0,1]=3 331 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [1,0,0,0,0,0|1,1,0]=3 332 B7R0.2 CC(=O)CN(C)C=O Amb25134136 [1,0,0,0,0,0|3,0,0]=4 333 B7R0.2 CC(=O)C[C@@H](O)CO Amb24640954 [1,0,0,0,0,0|1,0,1]=3 334 B7R0.2 CC(=O)C[C@H](O)C=C Amb25051451 [1,0,0,0,0,0|2,0,0]=3 335 B7R0.2 CC(=O)C[C@H](O)CCl Amb25810138 [1,0,0,0,0,0|2,0,1]=4 336 B7R0.2 CC(C#N)CC(=O)O Amb17334057 [1,0,0,0,0,0|2,0,1]=4 337 B7R0.2 CC(C)C[C@@H](O)C=O Amb25104909 [1,0,0,0,0,0|2,0,1]=4 338 B7R0.2 CC(C=O)NC(C)=O Amb18641830 [1,0,0,0,0,0|3,0,0]=4 339 B7R0.2 CC(C=O)OC(C)=O Amb18641863 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.2 CC(CC(=C)Br)C=O Amb24380828 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.2 CC(CC(=O)Cl)C=C Amb25278347 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.2 CC(CC(C)=C)C=O Amb18641711 [1,0,0,0,0,0|3,0,0]=4 343 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [1,0,0,0,0,0|2,0,0]=3 344 B7R0.2 CC(CC(O)=O)=CCl Amb25802122 [1,0,0,0,0,0|2,0,1]=4 345 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [1,0,0,0,0,0|2,0,0]=3 346 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [1,0,0,0,0,0|1,0,0]=2 347 B7R0.2 CC(CC(O)=O)CO Amb18198168 [1,0,0,0,0,0|1,0,1]=3 348 B7R0.2 CC(CC(O)=O)SCl Amb24483173 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.2 CC(CN)CC(O)=O Amb18124263 [1,0,0,0,0,0|2,0,1]=4 350 B7R0.2 CC(CN)CC(O)=O Amb20669501 [1,0,0,0,0,0|2,0,1]=4 351 B7R0.2 CC(CO)CC(C)=O Amb24606485 [1,0,0,0,0,0|2,0,1]=4 352 B7R0.2 CC(CO)CC(N)=O Amb24452895 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.2 CC(O)CC(O)C=C Amb24397089 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.2 CCC(Br)CC(O)=O Amb24370499 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.2 CCC(CC(=O)O)N Amb1993862 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.2 CCC(CC(=O)O)O Amb10844270 [1,0,0,0,0,0|1,0,1]=3 357 B7R0.2 CCC(O)CC(C)=O Amb25065181 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.2 CCC(O)CC(N)=O Amb24616660 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.2 CCC(O)CC(O)=O Amb22363067 [1,0,0,0,0,0|1,0,1]=3 360 B7R0.2 CCC(S)CC(O)=O Amb18303084 [1,0,0,0,0,0|1,1,1]=4 361 B7R0.2 CC[C@@H](Br)CC(O)=O Amb24467852 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.2 CC[C@@H](N)CC(O)=O Amb22225305 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.2 CC[C@@H](O)CC(C)=O Amb25060158 [1,0,0,0,0,0|2,0,1]=4 364 B7R0.2 CC[C@@H](S)CC(O)=O Amb24481337 [1,0,0,0,0,0|1,1,1]=4 365 B7R0.2 CC[C@H](N)CC(O)=O Amb22226650 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.2 CN(C)CC(O)C=O Amb25233179 [1,0,0,0,0,0|3,0,0]=4 367 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.2 CNC(C)CC(O)=O Amb21959674 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.2 CN[C@@H](C)CC(O)=O Amb25255193 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.2 CN[C@H](C)CC(O)=O Amb25339129 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.2 CO[C@@H](C)CC(O)=O Amb24481367 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.2 CO[C@@H](O)CC(C)=O Amb24450127 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.2 CSC(C)CC(O)=O Amb18967824 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.2 C[C@@H](C=O)OC(C)=O Amb24724866 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.2 C[C@@H](CC(=C)Br)C=O Amb25325003 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.2 C[C@@H](CC(C)=C)C=O Amb24375353 [1,0,0,0,0,0|3,0,0]=4 377 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.2 C[C@@H](CC(O)=O)ON Amb25189045 [1,0,0,0,0,0|3,0,0]=4 379 B7R0.2 C[C@@H](CO)CC(C)=O Amb25072788 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.2 C[C@@H](O)CC(O)C=C Amb25207943 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.2 C[C@@H](O)C[C@H](O)C=C Amb25381234 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [1,0,0,0,0,0|2,0,0]=3 383 B7R0.2 C\C(=C/C(O)=O)\C=O Amb25138216 [1,0,0,0,0,0|1,0,2]=4 384 B7R0.2 C\C(=C\C(O)=O)\C=O Amb24579433 [1,0,0,0,0,0|1,0,2]=4 385 B7R0.2 C\C(\CC(O)=O)=C\C Amb24481339 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.2 C\C(\CC(O)=O)=N/O Amb25064289 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.2 C\C=C(\Cl)/CC(O)=O Amb25174797 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.2 NC(=O)CC(O)CO Amb25662216 [1,0,0,0,0,0|1,0,1]=3 389 B7R0.2 NC(=O)C[C@H](O)CCl Amb25791271 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [1,0,0,0,0,0|2,0,0]=3 391 B7R0.2 NC(CF)CC(O)=O Amb24428065 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.2 NC(CO)CC(N)=O Amb24384089 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.2 NC(CS)CC(O)=O Amb25090412 [1,0,0,0,0,0|1,1,1]=4 394 B7R0.2 NCC(F)CC(O)=O Amb24550169 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.2 NCC(N)CC(O)=O Amb19515145 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.2 NCC(N)CC(O)=O Amb21858324 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.2 NCC(N)CC(O)=O Amb22751661 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.2 NCC(O)CC(N)=O Amb18641952 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.2 NCC(O)CP(O)=O Amb24714285 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.2 NC[C@@H](N)CC(O)=O Amb22751651 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.2 NC[C@@H](N)CC(O)=O Amb25829509 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.2 NC[C@H](CC(=O)O)N Amb10603267 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.2 NC[C@H](N)CC(O)=O Amb25378712 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.2 NC[C@H](O)CP(O)=O Amb25324060 [1,0,0,0,0,0|2,0,1]=4 405 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [1,0,0,0,0,0|2,0,0]=3 406 B7R0.2 N[C@@H](CC(O)=O)C#N Amb25757887 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [1,0,0,0,0,0|1,0,1]=3 408 B7R0.2 N[C@@H](CO)CC(N)=O Amb24704927 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [1,0,0,0,0,0|1,0,0]=2 410 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [1,0,0,0,0,0|1,0,1]=3 411 B7R0.2 N[C@H](CO)CC(N)=O Amb24599306 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.2 O=NN(CC(=O)O)C Amb17618622 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.2 OC(=O)CC(=O)NO Amb24444078 [1,0,0,0,0,0|1,0,2]=4 414 B7R0.2 OC(=O)CC(Br)CCl Amb25834578 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.2 OC(=O)CC(Cl)CCl Amb25335414 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [1,0,0,0,0,0|1,0,0]=2 417 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [1,0,0,0,0,0|1,0,0]=2 418 B7R0.2 OC(=O)CN(O)N=O Amb25041862 [1,0,0,0,0,0|2,0,0]=3 419 B7R0.2 OC(=O)\C=C(/Cl)\C=O Amb24452824 [1,0,0,0,0,0|1,0,2]=4 420 B7R0.2 OC(CC(=O)Cl)CCl Amb25806118 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.2 OC(CCl)CC(O)=O Amb18643354 [1,0,0,0,0,0|1,0,1]=3 422 B7R0.2 OCC(O)CP(O)=O Amb25316128 [1,0,0,0,0,0|1,0,1]=3 423 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [1,0,0,0,0,0|0,0,1]=2 425 B7R0.2 O[C@H](CBr)CC(O)=O Amb22265826 [1,0,0,0,0,0|1,0,1]=3 426 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [1,0,0,0,0,0|0,0,1]=2 427 B7R0.2 [O-]C(=O)CC(O)CO Amb24117078 [1,0,0,0,0,0|0,0,2]=3 428 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [1,0,0,0,0,0|2,0,1]=4 430 B7R0.5 C#CC[C@@H](O)C(O)=O Amb25189884 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.5 C=C(CC=C)C(O)=O Amb18641687 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.5 C=CCC(Br)C(=O)Cl Amb25690180 [1,0,0,0,0,0|3,0,0]=4 433 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.5 C=CCC(N)P(O)=O Amb24377187 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.5 C=CCC(O)C(=C)F Amb25847690 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.5 C=CCC(O)C(=C)O Amb25072081 [1,0,0,0,0,0|2,0,0]=3 439 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [1,0,0,0,0,0|2,0,0]=3 440 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [1,0,0,0,0,0|2,0,0]=3 441 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [1,0,0,0,0,0|1,0,0]=2 442 B7R0.5 CC(=C)C(O)CC=O Amb24481571 [1,0,0,0,0,0|2,0,0]=3 443 B7R0.5 CC(=C)C(O)CCO Amb25781203 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.5 CC(=C)[C@@H](O)CC=C Amb25856499 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.5 CC(=C)[C@H](O)CC=C Amb25257176 [1,0,0,0,0,0|3,0,0]=4 446 B7R0.5 CC(=O)C(=O)CC=O Amb24524264 [1,0,0,0,0,0|1,0,2]=4 447 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.5 CC(=O)C(F)CC=C Amb19889753 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.5 CC(=O)C(N)CCO Amb25087112 [1,0,0,0,0,0|2,0,1]=4 450 B7R0.5 CC(=O)C(O)CC#N Amb24463934 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.5 CC(=O)C(O)CCS Amb24516694 [1,0,0,0,0,0|1,1,1]=4 452 B7R0.5 CC(=O)C(S)CCO Amb25831127 [1,0,0,0,0,0|1,1,1]=4 453 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [1,0,0,0,0,0|1,0,0]=2 454 B7R0.5 CC(=O)[C@H](O)CC=C Amb24662420 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.5 CC(C(=O)C)CCO Amb13881368 [1,0,0,0,0,0|2,0,1]=4 456 B7R0.5 CC(C(=O)O)CC#N Amb17334056 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.5 CC(C(=O)O)CNC Amb13952364 [1,0,0,0,0,0|3,0,0]=4 458 B7R0.5 CC(C)C(O)CC=O Amb24584440 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.5 CC(C)[C@H](O)CC=O Amb24481570 [1,0,0,0,0,0|2,0,1]=4 460 B7R0.5 CC(C=NO)C(O)=O Amb24616398 [1,0,0,0,0,0|2,0,1]=4 461 B7R0.5 CC(CC#C)C(O)=O Amb18633959 [1,0,0,0,0,0|2,0,1]=4 462 B7R0.5 CC(CC=C)C(=O)Cl Amb25702960 [1,0,0,0,0,0|3,0,0]=4 463 B7R0.5 CC(CC=C)C(C)=O Amb19373098 [1,0,0,0,0,0|3,0,0]=4 464 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.5 CC(CCF)C(O)=O Amb24678386 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.5 CC(CCN)C(O)=O Amb20667970 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.5 CC(CCO)C(O)=O Amb18641949 [1,0,0,0,0,0|1,0,1]=3 468 B7R0.5 CC(CCS)C(O)=O Amb25133689 [1,0,0,0,0,0|1,1,1]=4 469 B7R0.5 CC(NC=O)C(C)=O Amb23442778 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.5 CC(NC=O)C(N)=O Amb24533730 [1,0,0,0,0,0|3,0,0]=4 471 B7R0.5 CC(O)C(O)CC=C Amb24734248 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.5 CC(O)C(O)CC=O Amb25745503 [1,0,0,0,0,0|1,0,1]=3 473 B7R0.5 CC(O)C(O)CCO Amb25851421 [1,0,0,0,0,0|1,0,2]=4 474 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.5 CCCC(C(=O)O)O Amb2582532 [1,0,0,0,0,0|1,0,1]=3 476 B7R0.5 CCCC(F)C(O)=O Amb25842008 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.5 CCCC(O)C(C)=O Amb22495823 [1,0,0,0,0,0|2,0,1]=4 478 B7R0.5 CCCC(O)C(N)=O Amb24116553 [1,0,0,0,0,0|2,0,1]=4 479 B7R0.5 CCCC(O)C([O-])=O Amb22731263 [1,0,0,0,0,0|1,0,2]=4 480 B7R0.5 CCCC(O)P(O)=O Amb25143218 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.5 CCCC(S)C(O)=O Amb18124440 [1,0,0,0,0,0|1,1,1]=4 482 B7R0.5 CCC[C@@H](O)C(C)=O Amb24432580 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [1,0,0,0,0,0|1,0,1]=3 484 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.5 CCC[C@H](O)C(C)=O Amb25097084 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.5 CCC[C@H](O)C(N)=O Amb25082239 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [1,0,0,0,0,0|1,0,1]=3 488 B7R0.5 CCOC(O)C(O)=O Amb24680848 [1,0,0,0,0,0|2,0,1]=4 489 B7R0.5 CCSC(O)C(O)=O Amb24444218 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.5 CNCC(C(=O)O)N Amb10071505 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.5 CNCC(C(=O)O)N Amb10845350 [1,0,0,0,0,0|3,0,0]=4 492 B7R0.5 CNCC(F)C(O)=O Amb24666017 [1,0,0,0,0,0|3,0,0]=4 493 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [1,0,0,0,0,0|3,0,0]=4 494 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [1,0,0,0,0,0|3,0,0]=4 495 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [1,0,0,0,0,0|3,0,0]=4 496 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [1,0,0,0,0,0|3,0,0]=4 497 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [1,0,0,0,0,0|3,0,0]=4 498 B7R0.5 CNC[C@H](O)C(O)=O Amb25689188 [1,0,0,0,0,0|2,0,0]=3 499 B7R0.5 COCC(C(=O)O)Br Amb17594709 [1,0,0,0,0,0|3,0,0]=4 500 B7R0.5 COCC(C(=O)O)Cl Amb10068384 [1,0,0,0,0,0|3,0,0]=4 501 B7R0.5 COCC(F)C(O)=O Amb24526772 [1,0,0,0,0,0|3,0,0]=4 502 B7R0.5 COCC(O)C(C)=O Amb25072841 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.5 COCC(O)C(O)=O Amb18124273 [1,0,0,0,0,0|2,0,0]=3 504 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [1,0,0,0,0,0|3,0,0]=4 505 B7R0.5 COC[C@@H](O)C(O)=O Amb25829059 [1,0,0,0,0,0|2,0,0]=3 506 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [1,0,0,0,0,0|3,0,0]=4 507 B7R0.5 CSCC(C)C(O)=O Amb18967825 [1,0,0,0,0,0|3,0,0]=4 508 B7R0.5 CSCC(O)C(O)=O Amb25131873 [1,0,0,0,0,0|2,0,0]=3 509 B7R0.5 CSC[C@H](O)C(O)=O Amb24435256 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.5 C[C@@H](C(=O)O)CC#C Amb10844029 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [1,0,0,0,0,0|2,0,0]=3 512 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [1,0,0,0,0,0|2,0,1]=4 513 B7R0.5 C[C@@H](CC=C)C(N)=O Amb25232867 [1,0,0,0,0,0|3,0,0]=4 514 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [1,0,0,0,0,0|1,1,1]=4 515 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.5 C[C@@H](O)C(O)CC=C Amb25344994 [1,0,0,0,0,0|2,0,1]=4 517 B7R0.5 C[C@@H](O)[C@H](O)CC=C Amb25106054 [1,0,0,0,0,0|2,0,1]=4 518 B7R0.5 C[C@H](C(=O)O)CC#C Amb10844036 [1,0,0,0,0,0|2,0,1]=4 519 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [1,0,0,0,0,0|2,0,0]=3 520 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [1,0,0,0,0,0|2,0,1]=4 521 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [1,0,0,0,0,0|2,0,1]=4 522 B7R0.5 C[C@H](C(=O)O)COC Amb10844266 [1,0,0,0,0,0|3,0,0]=4 523 B7R0.5 C[C@H](CC#N)C(O)=O Amb24725603 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [1,0,0,0,0,0|1,0,1]=3 525 B7R0.5 C[C@H](NCO)C(O)=O Amb24401217 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [1,0,0,0,0,0|3,0,0]=4 527 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [1,0,0,0,0,0|3,0,0]=4 529 B7R0.5 C\C=C/C(O)C(=C)O Amb24437447 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.5 C\C=C/C(O)C(C)=O Amb24526785 [1,0,0,0,0,0|2,0,1]=4 531 B7R0.5 C\C=C\C(C)C(O)=O Amb18641786 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.5 C\C=C\C(O)C(O)=O Amb24481382 [1,0,0,0,0,0|1,0,1]=3 534 B7R0.5 C\C=C\[C@@H](C)C(O)=O Amb25719907 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.5 C\C=C\[C@H](C)C(O)=O Amb24481336 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.5 C\C=C\[C@H](O)C(C)=O Amb25287343 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.5 N#CCC(O)C(O)=O Amb25678609 [1,0,0,0,0,0|1,0,1]=3 538 B7R0.5 NC(=O)C(O)CCO Amb25703294 [1,0,0,0,0,0|1,0,1]=3 539 B7R0.5 NC(=O)C(S)CCO Amb24525295 [1,0,0,0,0,0|1,1,1]=4 540 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.5 NC(CCI)C(O)=O Amb25339674 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.5 NC(CCO)C(N)=O Amb24481392 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.5 NC(CCS)C(O)=O Amb19267093 [1,0,0,0,0,0|1,1,1]=4 546 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [1,0,0,0,0,0|2,0,0]=3 547 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [1,0,0,0,0,0|3,0,0]=4 548 B7R0.5 NC(CSO)C(O)=O Amb24746797 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.5 NC(CSS)C(O)=O Amb24614616 [1,0,0,0,0,0|2,1,0]=4 550 B7R0.5 NC(O)C(O)CCO Amb24505849 [1,0,0,0,0,0|1,0,2]=4 551 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [1,0,0,0,0,0|2,0,1]=4 552 B7R0.5 NCCC(C(=O)O)F Amb10838221 [1,0,0,0,0,0|2,0,1]=4 553 B7R0.5 NCCC(C(=O)O)O Amb16232090 [1,0,0,0,0,0|1,0,1]=3 554 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [1,0,0,0,0,0|2,0,1]=4 555 B7R0.5 NCCC(F)C(O)=O Amb22229524 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.5 NCCC(N)C(O)=O Amb17678762 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.5 NCCC(N)C(O)=O Amb22348212 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.5 NCCC(S)C(O)=O Amb25083375 [1,0,0,0,0,0|1,1,1]=4 559 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [1,0,0,0,0,0|1,0,1]=3 564 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [1,0,0,0,0,0|1,0,1]=3 565 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [1,0,0,0,0,0|2,0,1]=4 566 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.5 NOCC(N)C(O)=O Amb24184086 [1,0,0,0,0,0|3,0,0]=4 568 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [1,0,0,0,0,0|3,0,0]=4 569 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [1,0,0,0,0,0|3,0,0]=4 570 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [1,0,0,0,0,0|2,0,1]=4 571 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [1,0,0,0,0,0|2,0,1]=4 572 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [1,0,0,0,0,0|1,0,0]=2 573 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [1,0,0,0,0,0|1,0,0]=2 574 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [1,0,0,0,0,0|1,0,1]=3 576 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [1,0,0,0,0,0|2,0,0]=3 577 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [1,0,0,0,0,0|3,0,0]=4 578 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [1,0,0,0,0,0|3,0,0]=4 579 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [1,0,0,0,0,0|2,0,0]=3 580 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [1,0,0,0,0,0|2,0,0]=3 582 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [1,0,0,0,0,0|2,0,1]=4 583 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [1,0,0,0,0,0|1,1,1]=4 584 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [1,0,0,0,0,0|2,0,0]=3 585 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [1,0,0,0,0,0|1,0,0]=2 587 B7R0.5 O=CCN(C(=O)C)C Amb17080668 [1,0,0,0,0,0|3,0,0]=4 588 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [1,0,0,0,0,0|2,0,0]=3 589 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [1,0,0,0,0,0|0,0,3]=4 590 B7R0.5 OC(=O)C(=O)\C=C\O Amb24699120 [1,0,0,0,0,0|0,0,3]=4 591 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.5 OC(=O)C(O)=CC=O Amb25339531 [1,0,0,0,0,0|0,0,2]=3 595 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [1,0,0,0,0,0|0,2,1]=4 596 B7R0.5 OC(=O)\C(\Br)=C\C=O Amb25242509 [1,0,0,0,0,0|1,0,2]=4 597 B7R0.5 OC(=O)\C(\O)=C\C=O Amb25082413 [1,0,0,0,0,0|0,0,2]=3 598 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [1,0,0,0,0,0|0,0,0]=1 599 B7R0.5 OC(CCS)C(O)=O Amb24586206 [1,0,0,0,0,0|0,1,1]=3 600 B7R0.5 OC(O)C(O)CCO Amb25806560 [1,0,0,0,0,0|0,0,3]=4 601 B7R0.5 OCCC(O)C(O)=O Amb24689942 [1,0,0,0,0,0|0,0,1]=2 602 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [1,0,0,0,0,0|2,0,0]=3 603 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [1,0,0,0,0,0|1,0,1]=3 604 B7R0.5 [N-]=[N+]=NC(O)C(O)=O Amb24374125 [1,0,0,0,0,0|3,0,0]=4 605 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [1,0,0,0,0,0|2,0,0]=3 606 B7R0.6 C=C(Cl)CCC(N)=O Amb25843741 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [1,0,0,0,0,0|2,0,0]=3 608 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [1,0,0,0,0,0|2,0,0]=3 609 B7R0.6 CC(=C)CCC(=O)Cl Amb24640436 [1,0,0,0,0,0|3,0,0]=4 610 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [1,0,0,0,0,0|2,0,0]=3 611 B7R0.6 CC(=N)SCC(O)=O Amb25704672 [1,0,0,0,0,0|3,0,0]=4 612 B7R0.6 CC(=O)CCB(O)O Amb25095502 [1,0,0,0,0,0|2,0,1]=4 613 B7R0.6 CC(=O)CCC(=C)Br Amb24690678 [1,0,0,0,0,0|3,0,0]=4 614 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [1,0,0,0,0,0|2,0,0]=3 615 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [1,0,0,0,0,0|2,0,0]=3 616 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [1,0,0,0,0,0|1,0,1]=3 617 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [1,0,0,0,0,0|2,0,0]=3 618 B7R0.6 CC(=O)CCS(=O)=O Amb25730256 [1,0,0,0,0,0|2,0,1]=4 619 B7R0.6 CC(=O)CC[N+]([O-])=O Amb18198961 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.6 CC(=O)CNC(N)=O Amb24697691 [1,0,0,0,0,0|3,0,0]=4 621 B7R0.6 CC(=O)NCC(=O)N Amb17231824 [1,0,0,0,0,0|3,0,0]=4 622 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [1,0,0,0,0,0|2,0,0]=3 623 B7R0.6 CC(=O)OCC(=O)Br Amb25032214 [1,0,0,0,0,0|3,0,0]=4 624 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [1,0,0,0,0,0|2,0,0]=3 625 B7R0.6 CC(=O)OCC(N)=O Amb24670486 [1,0,0,0,0,0|3,0,0]=4 626 B7R0.6 CC(=O)SCC(=O)Cl Amb24451416 [1,0,0,0,0,0|3,0,0]=4 627 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [1,0,0,0,0,0|2,0,0]=3 628 B7R0.6 CC(=O)SCC(C)=O Amb25131248 [1,0,0,0,0,0|3,0,0]=4 629 B7R0.6 CC(=O)SCC(N)=O Amb22353247 [1,0,0,0,0,0|3,0,0]=4 630 B7R0.6 CC(=O)\C=C/C(O)=O Amb24662475 [1,0,0,0,0,0|1,0,2]=4 631 B7R0.6 CC(=S)NCC(O)=O Amb24325138 [1,0,0,0,0,0|2,1,0]=4 632 B7R0.6 CC(Br)CCC(O)=O Amb18124528 [1,0,0,0,0,0|2,0,1]=4 633 B7R0.6 CC(C)=NCC(O)=O Amb24481383 [1,0,0,0,0,0|3,0,0]=4 634 B7R0.6 CC(C)CC[13C](O)=O Amb22337922 [1,0,0,0,0,0|2,0,1]=4 635 B7R0.6 CC(CCC(=O)O)C Amb1153016 [1,0,0,0,0,0|2,0,1]=4 636 B7R0.6 CC(CCC(=O)O)N Amb17593212 [1,0,0,0,0,0|2,0,1]=4 637 B7R0.6 CC(Cl)CCC(O)=O Amb18124448 [1,0,0,0,0,0|2,0,1]=4 638 B7R0.6 CC(F)CCC(O)=O Amb24682772 [1,0,0,0,0,0|2,0,1]=4 639 B7R0.6 CC(N)CCC(O)=O Amb19515603 [1,0,0,0,0,0|2,0,1]=4 640 B7R0.6 CC(O)CCC(C)=O Amb25829594 [1,0,0,0,0,0|2,0,1]=4 641 B7R0.6 CC(O)CCC(O)=O Amb18294804 [1,0,0,0,0,0|1,0,1]=3 642 B7R0.6 CC(O)NCC(O)=O Amb25141558 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.6 CN(C)CCC(O)=O Amb19888182 [1,0,0,0,0,0|3,0,0]=4 644 B7R0.6 CS(=O)CCC(N)=O Amb24475802 [1,0,0,0,0,0|3,0,0]=4 645 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [1,0,0,0,0,0|2,0,0]=3 646 B7R0.6 CS(=O)NCC(O)=O Amb25237322 [1,0,0,0,0,0|3,0,0]=4 647 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.6 C[C@@H](O)CCC(C)=O Amb22351150 [1,0,0,0,0,0|2,0,1]=4 649 B7R0.6 C[C@@H](S)CCC(O)=O Amb24587370 [1,0,0,0,0,0|1,1,1]=4 650 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [1,0,0,0,0,0|2,0,1]=4 651 B7R0.6 C[S+](C)CCC(O)=O Amb22730539 [1,0,0,0,0,0|3,0,0]=4 652 B7R0.6 NC(=N)CCC(=O)Cl Amb24565938 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [1,0,0,0,0,0|2,0,0]=3 654 B7R0.6 NC(=N)NCC(=O)O Amb16231404 [1,0,0,0,0,0|3,0,0]=4 655 B7R0.6 NC(=N)N[13CH2][13C](=O)O Amb17614848 [1,0,0,0,0,0|3,0,0]=4 656 B7R0.6 NC(=N)OCC(O)=O Amb24394884 [1,0,0,0,0,0|3,0,0]=4 657 B7R0.6 NC(=N)SCC(O)=O Amb21955777 [1,0,0,0,0,0|3,0,0]=4 658 B7R0.6 NC(=O)CCB(O)O Amb24483052 [1,0,0,0,0,0|2,0,1]=4 659 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [1,0,0,0,0,0|2,0,0]=3 660 B7R0.6 NC(=O)CCC(N)=N Amb25680023 [1,0,0,0,0,0|3,0,0]=4 661 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [1,0,0,0,0,0|2,0,0]=3 662 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [1,0,0,0,0,0|2,0,0]=3 663 B7R0.6 NC(=O)NCC(=O)N Amb1136421 [1,0,0,0,0,0|3,0,0]=4 664 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [1,0,0,0,0,0|2,0,0]=3 665 B7R0.6 NC(=O)OCC(=O)Cl Amb25259155 [1,0,0,0,0,0|3,0,0]=4 666 B7R0.6 NC(=O)OCC(N)=O Amb25724808 [1,0,0,0,0,0|3,0,0]=4 667 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [1,0,0,0,0,0|2,0,0]=3 668 B7R0.6 NC(=O)SCC(N)=O Amb24359876 [1,0,0,0,0,0|3,0,0]=4 669 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [1,0,0,0,0,0|2,0,0]=3 670 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [1,0,0,0,0,0|1,1,0]=3 671 B7R0.6 NC(=S)OCC(O)=O Amb25340403 [1,0,0,0,0,0|2,1,0]=4 672 B7R0.6 NC(=S)SCC(O)=O Amb25108057 [1,0,0,0,0,0|2,1,0]=4 673 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [1,0,0,0,0,0|2,0,0]=3 674 B7R0.6 OB(O)CCC(O)=O Amb24640288 [1,0,0,0,0,0|1,0,1]=3 675 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [1,0,0,0,0,0|0,0,2]=3 676 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [1,0,0,0,0,0|0,0,2]=3 677 B7R0.6 OC(=O)CC=C(Cl)Cl Amb17593875 [1,0,0,0,0,0|2,0,1]=4 678 B7R0.6 OC(=O)CC=C(F)F Amb25127059 [1,0,0,0,0,0|2,0,1]=4 679 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [1,0,0,0,0,0|1,0,0]=2 680 B7R0.6 OC(=O)CCC(Cl)Cl Amb25059214 [1,0,0,0,0,0|2,0,1]=4 681 B7R0.6 OC(=O)CCC(F)F Amb20623135 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [1,0,0,0,0,0|0,0,0]=1 683 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [1,0,0,0,0,0|0,0,0]=1 684 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [1,0,0,0,0,0|0,0,0]=1 685 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [1,0,0,0,0,0|0,0,0]=1 686 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [1,0,0,0,0,0|2,0,0]=3 687 B7R0.6 OC(=O)CNC(S)=S Amb24739663 [1,0,0,0,0,0|1,2,0]=4 688 B7R0.6 OC(=O)COC(S)=S Amb24739791 [1,0,0,0,0,0|1,2,0]=4 689 B7R0.6 OC(=O)COS(=O)=O Amb25064798 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.6 OC(=O)CSC(S)=S Amb24608205 [1,0,0,0,0,0|1,2,0]=4 691 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [1,0,0,0,0,0|0,0,0]=1 692 B7R0.6 OC(=O)C\C=C(\F)/Cl Amb24599232 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [1,0,0,0,0,0|1,0,0]=2 694 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [1,0,0,0,0,0|0,0,0]=1 695 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [1,0,0,0,0,0|0,0,0]=1 696 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [1,0,0,0,0,0|0,0,2]=3 697 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [1,0,0,0,0,0|0,0,2]=3 698 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [1,0,0,0,0,0|0,0,2]=3 699 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [1,0,0,0,0,0|0,0,2]=3 700 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [1,0,0,0,0,0|0,0,2]=3 701 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [1,0,0,0,0,0|0,0,2]=3 702 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [1,0,0,0,0,0|0,0,2]=3 703 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [1,0,0,0,0,0|0,0,2]=3 704 B7R0.6 OC(=O)\C=C\P(O)=O Amb24622481 [1,0,0,0,0,0|1,0,2]=4 705 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [1,0,0,0,0,0|0,0,2]=3 706 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [1,0,0,0,0,0|0,0,2]=3 707 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [1,0,0,0,0,0|0,1,0]=2 708 B7R0.6 OC(O)CCC(O)=O Amb25762802 [1,0,0,0,0,0|0,0,2]=3 709 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [1,0,0,0,0,0|0,0,0]=1 710 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [1,0,0,0,0,0|0,0,0]=1 711 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [1,0,0,0,0,0|0,0,2]=3 712 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [1,0,0,0,0,0|0,0,0]=1 713 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [1,0,0,0,0,0|1,0,0]=2 714 B7R0.6 [O-]C(=O)C#CC(O)=O Amb19748298 [1,0,0,0,0,0|0,0,3]=4 715 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [1,0,0,0,0,0|0,0,1]=2 716 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [1,0,0,0,0,0|0,0,1]=2 717 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [1,0,0,0,0,0|0,0,2]=3 718 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [1,0,0,0,0,0|0,0,2]=3 719 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [1,0,0,0,0,0|0,0,2]=3 720 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [1,0,0,0,0,0|0,0,2]=3 721 B7R0.6 [O-]C(=O)NCC([O-])=O Amb22731445 [1,0,0,0,0,0|1,0,2]=4 722 B7R0.6 [O-]C(=O)\C=C/C(O)=O Amb22168115 [1,0,0,0,0,0|0,0,3]=4 723 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22043387 [1,0,0,0,0,0|0,0,3]=4 724 B7R0.6 [O-]C(=O)\C=C\C(O)=O Amb22734231 [1,0,0,0,0,0|0,0,3]=4 725 B7R0.6 [O-][N+](=O)CCC(=O)Cl Amb24532013 [1,0,0,0,0,0|2,0,1]=4 726 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [1,0,0,0,0,0|1,0,1]=3 727 B9R0.10 CC(C)(C)[C@@H](O)CC(O)=O Amb24505172 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.10 CC(C)(O)C(O)CC(O)=O Amb25808868 [0,1,0,0,0,0|1,0,1]=3 729 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [0,1,0,0,0,0|2,0,0]=3 730 B9R0.10 CC(CC(O)=O)S(C)(=O)=O Amb18971621 [0,1,0,0,0,0|2,0,1]=4 731 B9R0.10 CN(CC(O)=O)P(O)(O)=O Amb24651000 [0,1,0,0,0,0|3,0,0]=4 732 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [0,1,0,0,0,0|2,0,0]=3 733 B9R0.10 NC(=O)CC(O)S([O-])(=O)=O Amb25149408 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.10 NC(CC(N)=O)P(O)(O)=O Amb24429099 [0,1,0,0,0,0|3,0,0]=4 735 B9R0.10 N[C@@H](CC(N)=O)P(O)(O)=O Amb25069249 [0,1,0,0,0,0|3,0,0]=4 736 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [0,1,0,0,0,0|2,0,0]=3 737 B9R0.10 OC(C(C)(C)C)CC(=O)O Amb17232006 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.10 O[C@@H](C(F)(F)F)CC(=O)O Amb10838309 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.10 O[C@@H](CC(O)=O)C(Cl)(Cl)Cl Amb24412058 [0,1,0,0,0,0|2,0,1]=4 740 B9R0.10 O[C@H](C(F)(F)F)CC(=O)O Amb10838307 [0,1,0,0,0,0|2,0,1]=4 741 B9R0.11 CC(=C)C(C)(C)CC(O)=O Amb25703730 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.11 CC(=C)C(C)(N)CC(O)=O Amb22641962 [0,1,0,0,0,0|3,0,0]=4 743 B9R0.11 CC(=C)CC(C)(O)C(O)=O Amb24763776 [0,1,0,0,0,0|2,0,0]=3 744 B9R0.11 CC(=C)C[C@@](C)(F)C(O)=O Amb25378746 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [0,1,0,0,0,0|2,0,0]=3 746 B9R0.11 CC(=O)C(C)(C)CC(=O)Cl Amb24690787 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.11 CC(=O)C(C)(C)CC(C)=O Amb25771077 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [0,1,0,0,0,0|1,0,0]=2 749 B9R0.11 CC(=O)CC(C)(C)C(N)=O Amb25737091 [0,1,0,0,0,0|3,0,0]=4 750 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [0,1,0,0,0,0|2,0,0]=3 751 B9R0.11 CC(=O)NC(C(=O)O)(C)C Amb13952726 [0,1,0,0,0,0|3,0,0]=4 752 B9R0.11 CC(=O)NC(O)(Cl)C(O)=O Amb25772842 [0,1,0,0,0,0|2,0,0]=3 753 B9R0.11 CC(=O)N[C@](C)(S)C(O)=O Amb25793169 [0,1,0,0,0,0|2,1,0]=4 754 B9R0.11 CC(=O)OC(C)(C)C(O)=O Amb18644243 [0,1,0,0,0,0|3,0,0]=4 755 B9R0.11 CC(=O)SC(C(=O)O)(C)C Amb17607677 [0,1,0,0,0,0|3,0,0]=4 756 B9R0.11 CC(=O)[C@](C)(O)CC(C)=O Amb25738871 [0,1,0,0,0,0|2,0,0]=3 757 B9R0.11 CC(=S)C(C)(C)CC(O)=O Amb25227469 [0,1,0,0,0,0|2,1,0]=4 758 B9R0.11 CC(C)(CC(=O)Cl)C(=O)Cl Amb24528594 [0,1,0,0,0,0|3,0,0]=4 759 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [0,1,0,0,0,0|2,0,0]=3 760 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,1,0,0,0,0|2,0,0]=3 761 B9R0.11 CC(C)=CC(C)(O)C(O)=O Amb24666586 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.11 CC(C)C(C)(O)CC(O)=O Amb18991699 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.11 CC(C)CC(C)(O)C(O)=O Amb18523766 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.11 CC(C)C[C@@](C)(O)C(O)=O Amb25744207 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.11 CC(C)C[C@](C)(O)C(O)=O Amb24763710 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,1,0,0,0,0|1,0,0]=2 767 B9R0.11 CC(N)(CC(N)=O)C(N)=O Amb24436628 [0,1,0,0,0,0|3,0,0]=4 768 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,1,0,0,0,0|1,0,0]=2 769 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,1,0,0,0,0|1,0,0]=2 771 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [0,1,0,0,0,0|1,0,0]=2 772 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,1,0,0,0,0|0,0,0]=1 773 B9R0.11 CC(O)(CC([O-])=O)C([O-])=O Amb22353060 [0,1,0,0,0,0|0,0,2]=3 774 B9R0.11 CC(O)CC(C)(C)C(O)=O Amb25230577 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.11 CC(O)CC(C)(O)C(O)=O Amb25265252 [0,1,0,0,0,0|1,0,1]=3 776 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,1,0,0,0,0|0,1,0]=2 777 B9R0.11 CN(C)CC(C)(O)C(O)=O Amb24480768 [0,1,0,0,0,0|3,0,0]=4 778 B9R0.11 CN(C)C[C@](C)(O)C(O)=O Amb24460062 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.11 C[C@@](N)(CC(=C)F)C(O)=O Amb24479080 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,1,0,0,0,0|2,0,0]=3 781 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,1,0,0,0,0|0,0,0]=1 782 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [0,1,0,0,0,0|2,0,0]=3 783 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,1,0,0,0,0|1,0,0]=2 784 B9R0.11 O=C(Cl)C(F)(F)CC(=O)Cl Amb25211907 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,1,0,0,0,0|0,0,0]=1 786 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,1,0,0,0,0|0,1,0]=2 787 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,1,0,0,0,0|1,0,0]=2 788 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,1,0,0,0,0|0,0,0]=1 789 B9R0.11 OC(=O)CC(C(=S)N)(C)C Amb17466449 [0,1,0,0,0,0|2,1,0]=4 790 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,1,0,0,0,0|1,0,0]=2 791 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,1,0,0,0,0|1,0,0]=2 792 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,1,0,0,0,0|1,0,0]=2 793 B9R0.23 CC(=C)CC(C)C(=O)NO Amb24751825 [0,1,0,0,0,0|3,0,0]=4 794 B9R0.23 CC(=C)CC(O)C(=O)OC Amb24464009 [0,1,0,0,0,0|2,0,0]=3 795 B9R0.23 CC(=C)C[C@H](N)C(=O)OC Amb25200054 [0,1,0,0,0,0|3,0,0]=4 796 B9R0.23 CC(=CC(O)=O)C(=O)OC Amb24362654 [0,1,0,0,0,0|1,0,2]=4 797 B9R0.23 CC(=O)CC(=C)C(=O)OC Amb25146670 [0,1,0,0,0,0|2,0,1]=4 798 B9R0.23 CC(=O)CC(N)C(=O)OC Amb25367296 [0,1,0,0,0,0|2,0,0]=3 799 B9R0.23 CC(=O)CC(O)C(=O)CC Amb25767775 [0,1,0,0,0,0|2,0,0]=3 800 B9R0.23 CC(=O)CC(O)C(O)CO Amb24737444 [0,1,0,0,0,0|1,0,2]=4 801 B9R0.23 CC(=O)C[C@@H](O)C(=O)OC Amb24408458 [0,1,0,0,0,0|1,0,0]=2 802 B9R0.23 CC(=O)C[C@@H](O)[C@@H](O)CO Amb25767917 [0,1,0,0,0,0|1,0,2]=4 803 B9R0.23 CC(=O)C[C@H](O)C(=O)OC Amb25146504 [0,1,0,0,0,0|1,0,0]=2 804 B9R0.23 CC(=O)NC(Br)C(=O)OC Amb24434913 [0,1,0,0,0,0|3,0,0]=4 805 B9R0.23 CC(=O)NC(C)C(=O)OC Amb24650565 [0,1,0,0,0,0|3,0,0]=4 806 B9R0.23 CC(=O)NC(O)C(=O)OC Amb25147262 [0,1,0,0,0,0|2,0,0]=3 807 B9R0.23 CC(=O)OC(C)C(=O)OC Amb24719402 [0,1,0,0,0,0|3,0,0]=4 808 B9R0.23 CC(=O)O[C@@H](C)C(=O)OC Amb24397827 [0,1,0,0,0,0|3,0,0]=4 809 B9R0.23 CC(C(=O)NC)CC(=O)N Amb17334220 [0,1,0,0,0,0|3,0,0]=4 810 B9R0.23 CC(C)=CC(O)C(=O)CO Amb24582992 [0,1,0,0,0,0|2,0,1]=4 811 B9R0.23 CC(C)=CC(O)C(=O)OC Amb24600119 [0,1,0,0,0,0|2,0,1]=4 812 B9R0.23 CC(C)=C[C@H](O)C(=O)CO Amb24437372 [0,1,0,0,0,0|2,0,1]=4 813 B9R0.23 CC(C)CC(O)C(=O)OC Amb19306745 [0,1,0,0,0,0|2,0,1]=4 814 B9R0.23 CC(C)C[C@H](O)C(=O)OC Amb25299357 [0,1,0,0,0,0|2,0,1]=4 815 B9R0.23 CC(CC(C)O)C(=O)OC Amb25781081 [0,1,0,0,0,0|2,0,1]=4 816 B9R0.23 CC(CC(O)=O)C(=O)CN Amb25072734 [0,1,0,0,0,0|2,0,0]=3 817 B9R0.23 CC(CC(O)=O)N(C)C=O Amb24670439 [0,1,0,0,0,0|3,0,0]=4 818 B9R0.23 CC(CC)C(O)CC(O)=O Amb18310690 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.23 CC(N)CC(O)C(=O)NO Amb25276417 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.23 CC(N)CC(O)C(=O)OC Amb24587361 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.23 CC(NC(N)=O)C(=O)NO Amb24705421 [0,1,0,0,0,0|3,0,0]=4 822 B9R0.23 CC(O)CC(O)C(O)C=O Amb25713186 [0,1,0,0,0,0|1,0,2]=4 823 B9R0.23 CC(O)C[C@H](O)C(=O)CO Amb25146805 [0,1,0,0,0,0|1,0,1]=3 824 B9R0.23 CC(OC)C(C)CC(O)=O Amb18202340 [0,1,0,0,0,0|2,0,1]=4 825 B9R0.23 CCC(=C)C(N)CC(O)=O Amb25068441 [0,1,0,0,0,0|3,0,0]=4 826 B9R0.23 CCC(=O)[C@@H](C)CC(O)=O Amb24504994 [0,1,0,0,0,0|2,0,0]=3 827 B9R0.23 CCC(=O)[C@H](C)CC(O)=O Amb24426900 [0,1,0,0,0,0|2,0,0]=3 828 B9R0.23 CCC(Cl)C(O)CC(O)=O Amb25111208 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.23 CCC(O)C(O)CC(O)=O Amb25132101 [0,1,0,0,0,0|1,0,1]=3 830 B9R0.23 CCN(O)C(C)CC(O)=O Amb25379050 [0,1,0,0,0,0|3,0,0]=4 831 B9R0.23 CCS(=O)C(C)CC(O)=O Amb19012075 [0,1,0,0,0,0|3,0,0]=4 832 B9R0.23 CC[C@H](O)[C@H](N)CC(O)=O Amb25204323 [0,1,0,0,0,0|2,0,1]=4 833 B9R0.23 CN(C(=O)CC)CC(=O)O Amb1113094 [0,1,0,0,0,0|3,0,0]=4 834 B9R0.23 CN(CC(O)=O)C(=O)CCl Amb21956220 [0,1,0,0,0,0|3,0,0]=4 835 B9R0.23 CN(CC(O)=O)C(=O)CN Amb21929346 [0,1,0,0,0,0|3,0,0]=4 836 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [0,1,0,0,0,0|2,0,0]=3 837 B9R0.23 CN(CC(O)=O)C(=S)OC Amb24514158 [0,1,0,0,0,0|2,1,0]=4 838 B9R0.23 CNC(=O)C(N)CC(N)=O Amb18968977 [0,1,0,0,0,0|3,0,0]=4 839 B9R0.23 CNC(=O)C(N)CC(O)=O Amb18862479 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.23 CNC(=O)[C@@H](N)CC(O)=O Amb25694374 [0,1,0,0,0,0|2,0,0]=3 841 B9R0.23 COC(=O)C(=C)CC(N)=O Amb25757986 [0,1,0,0,0,0|2,0,1]=4 842 B9R0.23 COC(=O)C(=O)CC(=O)C Amb1155424 [0,1,0,0,0,0|1,0,2]=4 843 B9R0.23 COC(=O)C(Br)CC(N)=O Amb24728398 [0,1,0,0,0,0|2,0,0]=3 844 B9R0.23 COC(=O)C(Br)CC(O)=O Amb18656999 [0,1,0,0,0,0|1,0,0]=2 845 B9R0.23 COC(=O)C(C)CC(=O)Cl Amb24648102 [0,1,0,0,0,0|2,0,0]=3 846 B9R0.23 COC(=O)C(C)CC(N)=N Amb25178681 [0,1,0,0,0,0|3,0,0]=4 847 B9R0.23 COC(=O)C(C)CC(N)=O Amb25113876 [0,1,0,0,0,0|2,0,0]=3 848 B9R0.23 COC(=O)C(C)CC(O)=O Amb18644248 [0,1,0,0,0,0|1,0,0]=2 849 B9R0.23 COC(=O)C(C)CS(C)=O Amb18788308 [0,1,0,0,0,0|3,0,0]=4 850 B9R0.23 COC(=O)C(C)NC(N)=O Amb20407420 [0,1,0,0,0,0|3,0,0]=4 851 B9R0.23 COC(=O)C(CC(=O)N)N Amb16243083 [0,1,0,0,0,0|2,0,0]=3 852 B9R0.23 COC(=O)C(CC(=O)N)N Amb17601698 [0,1,0,0,0,0|2,0,0]=3 853 B9R0.23 COC(=O)C(CC(=O)O)O Amb17615865 [0,1,0,0,0,0|0,0,0]=1 854 B9R0.23 COC(=O)C(Cl)OC(=O)Cl Amb25711657 [0,1,0,0,0,0|3,0,0]=4 855 B9R0.23 COC(=O)C(N)CC(=C)Br Amb24630384 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.23 COC(=O)C(N)CC(=C)Cl Amb18645938 [0,1,0,0,0,0|3,0,0]=4 857 B9R0.23 COC(=O)C(N)CC(O)=O Amb18644309 [0,1,0,0,0,0|1,0,0]=2 858 B9R0.23 COC(=O)C(O)CN(C)C Amb25212253 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.23 COC(=O)C(O)CN(C)O Amb24713209 [0,1,0,0,0,0|2,0,0]=3 860 B9R0.23 COC(=O)C(O)CS(C)=O Amb25369004 [0,1,0,0,0,0|2,0,0]=3 861 B9R0.23 COC(=O)[C@@H](C)CC(N)=O Amb24351411 [0,1,0,0,0,0|2,0,0]=3 862 B9R0.23 COC(=O)[C@@H](C)CC(O)=O Amb22226152 [0,1,0,0,0,0|1,0,0]=2 863 B9R0.23 COC(=O)[C@@H](C)NC(N)=O Amb24400792 [0,1,0,0,0,0|3,0,0]=4 864 B9R0.23 COC(=O)[C@@H](CC(=O)O)O Amb17615866 [0,1,0,0,0,0|0,0,0]=1 865 B9R0.23 COC(=O)[C@@H](N)CC(O)=O Amb22746069 [0,1,0,0,0,0|1,0,0]=2 866 B9R0.23 COC(=O)[C@@H](N)CS(O)=O Amb24592787 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.23 COC(=O)[C@@H](O)CC(N)=O Amb25147368 [0,1,0,0,0,0|1,0,0]=2 868 B9R0.23 COC(=O)[C@H](C)CC(N)=O Amb25824598 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.23 COC(=O)[C@H](C)CC(O)=O Amb24561954 [0,1,0,0,0,0|1,0,0]=2 870 B9R0.23 COC(=O)[C@H](CC(=O)N)N Amb10844909 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.23 COC(=O)[C@H](CC(=O)O)O Amb17615867 [0,1,0,0,0,0|0,0,0]=1 872 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [0,1,0,0,0,0|2,0,0]=3 873 B9R0.23 COC(=O)[C@H](N)CC(O)=O Amb19944281 [0,1,0,0,0,0|1,0,0]=2 874 B9R0.23 COC(=O)[C@H](NC(=O)C)C Amb17621817 [0,1,0,0,0,0|3,0,0]=4 875 B9R0.23 COC(=O)\C(=C\C(=O)C)\O Amb1981446 [0,1,0,0,0,0|1,0,2]=4 876 B9R0.23 COC(=O)\C(=C\C(=O)O)\Br Amb15695379 [0,1,0,0,0,0|1,0,2]=4 877 B9R0.23 COC(=O)\C(\Cl)=C/C(O)=O Amb24482175 [0,1,0,0,0,0|1,0,2]=4 878 B9R0.23 COC(O)C(O)CC(O)=O Amb24650997 [0,1,0,0,0,0|0,0,2]=3 879 B9R0.23 C[C@@H](CC)[C@@H](O)CC(O)=O Amb25068472 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.23 C[C@@H](CC)[C@H](O)CC(O)=O Amb24409363 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.23 C[C@H](CC(O)=O)[C@H](O)CN Amb25131743 [0,1,0,0,0,0|2,0,1]=4 882 B9R0.23 C\C(=C/C)\C(N)CC(O)=O Amb24377592 [0,1,0,0,0,0|3,0,0]=4 883 B9R0.23 C\C(=C/C)\C(O)CC(C)=O Amb24578333 [0,1,0,0,0,0|3,0,0]=4 884 B9R0.23 C\C(=C/C)\C(O)CC(O)=O Amb18644100 [0,1,0,0,0,0|2,0,0]=3 885 B9R0.23 C\C(=C/N)\C(N)CC(O)=O Amb25761855 [0,1,0,0,0,0|3,0,0]=4 886 B9R0.23 C\C(=C\C)\C(O)CC(C)=O Amb24686498 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.23 NC(=O)CC(O)C(O)CO Amb25139467 [0,1,0,0,0,0|1,0,2]=4 888 B9R0.23 NC(CC(O)=O)C(=O)O[Na] Amb22352689 [0,1,0,0,0,0|1,0,0]=2 889 B9R0.23 NC(CC([O-])=O)C(=O)O[Cu+] Amb22540451 [0,1,0,0,0,0|1,0,1]=3 890 B9R0.23 NCC(=O)C(N)CC(O)=O Amb24745663 [0,1,0,0,0,0|2,0,0]=3 891 B9R0.23 NCC(=O)N(O)CC(O)=O Amb24480719 [0,1,0,0,0,0|2,0,0]=3 892 B9R0.23 NN(CC(O)=O)C(=O)CCl Amb24480599 [0,1,0,0,0,0|3,0,0]=4 893 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [0,1,0,0,0,0|1,0,0]=2 894 B9R0.23 N[C@@H](CC(O)=O)[C@@H](N)CO Amb25788533 [0,1,0,0,0,0|2,0,1]=4 895 B9R0.23 OC(=O)CC(C(=O)CBr)Br Amb15772353 [0,1,0,0,0,0|2,0,0]=3 896 B9R0.23 OC(=O)CC(Cl)C(=O)CCl Amb24426203 [0,1,0,0,0,0|2,0,0]=3 897 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [0,1,0,0,0,0|0,0,0]=1 898 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [0,1,0,0,0,0|0,0,0]=1 899 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O Amb24509722 [0,1,0,0,0,0|0,0,2]=3 900 B9R0.23 OC[C@@H](O)[C@H](O)CC(O)=O Amb25258026 [0,1,0,0,0,0|0,0,2]=3 901 B9R0.23 OC[C@H](O)[C@H](O)CC(O)=O Amb24726353 [0,1,0,0,0,0|0,0,2]=3 902 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [0,1,0,0,0,0|1,0,0]=2 903 B9R0.39 CC(=C)CC(=NO)C(O)=O Amb25757532 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.39 CC(=C)CC(CC)C(O)=O Amb24480742 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.39 CC(=O)C(CC(C)=O)C#N Amb25129050 [0,1,0,0,0,0|3,0,0]=4 906 B9R0.39 CC(=O)C(CC(C)=O)C=C Amb24662555 [0,1,0,0,0,0|3,0,0]=4 907 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [0,1,0,0,0,0|2,0,0]=3 910 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [0,1,0,0,0,0|2,0,0]=3 911 B9R0.39 CC(=O)NC(C#N)C(O)=O Amb25147351 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.39 CC(=O)NC(C=C)C(O)=O Amb18124622 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.39 CC(=O)NC(SC)C(O)=O Amb24482255 [0,1,0,0,0,0|2,1,0]=4 914 B9R0.39 CC(=O)N[C@@H](CN)C(O)=O Amb24479068 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O Amb22746917 [0,1,0,0,0,0|2,0,0]=3 916 B9R0.39 CC(=O)N[C@H](CO)C(N)=O Amb25791565 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.39 CC(=O)N[C@H](CO)C(O)=O Amb22886955 [0,1,0,0,0,0|2,0,0]=3 918 B9R0.39 CC(=O)OC(C=C)C(O)=O Amb24410879 [0,1,0,0,0,0|3,0,0]=4 919 B9R0.39 CC(=O)OC(CC)C(O)=O Amb18644246 [0,1,0,0,0,0|3,0,0]=4 920 B9R0.39 CC(=O)OC(CN)C(O)=O Amb25082692 [0,1,0,0,0,0|3,0,0]=4 921 B9R0.39 CC(=O)OC(SC)C(O)=O Amb25061355 [0,1,0,0,0,0|2,1,0]=4 922 B9R0.39 CC(=O)S[C@@H](CC)C(O)=O Amb24738694 [0,1,0,0,0,0|3,0,0]=4 923 B9R0.39 CC(Br)=CC(ON)C(O)=O Amb25218261 [0,1,0,0,0,0|2,0,1]=4 924 B9R0.39 CC(C)=CC(OC)C(O)=O Amb20621506 [0,1,0,0,0,0|2,0,1]=4 925 B9R0.39 CC(C)CC(CO)C(O)=O Amb18124780 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.39 CC(C)CC(ON)C(O)=O Amb18644321 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.39 CC(C)C[C@H](CO)C(O)=O Amb25214140 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.39 CC(C)C[C@H](ON)C(O)=O Amb24505012 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.39 CC(O)C(CC(O)=O)CC Amb18831453 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.39 CC(O)C(CC(O)=O)NC Amb24400678 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [0,1,0,0,0,0|1,0,0]=2 932 B9R0.39 CCC(C(=O)O)NC(=O)C Amb2099651 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [0,1,0,0,0,0|2,0,0]=3 934 B9R0.39 CCN(C(=O)C)CC(=O)O Amb17399887 [0,1,0,0,0,0|3,0,0]=4 935 B9R0.39 CCN(CC(O)=O)C(N)=O Amb18999255 [0,1,0,0,0,0|3,0,0]=4 936 B9R0.39 CC[C@@H](NC(N)=O)C(O)=O Amb24715718 [0,1,0,0,0,0|3,0,0]=4 937 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [0,1,0,0,0,0|1,0,0]=2 938 B9R0.39 CC[C@H](NC(N)=O)C(O)=O Amb24538029 [0,1,0,0,0,0|3,0,0]=4 939 B9R0.39 CC\C(=C/C(O)=O)\C(O)=O Amb18644060 [0,1,0,0,0,0|1,0,2]=4 940 B9R0.39 CN(C)C(CC(O)=O)CO Amb18202308 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [0,1,0,0,0,0|1,0,0]=2 942 B9R0.39 CNC(CC(N)=O)C(N)=O Amb25680930 [0,1,0,0,0,0|3,0,0]=4 943 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [0,1,0,0,0,0|2,0,0]=3 944 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [0,1,0,0,0,0|2,0,0]=3 945 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [0,1,0,0,0,0|1,0,0]=2 946 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [0,1,0,0,0,0|2,0,0]=3 947 B9R0.39 COC(=CC(O)=O)C(O)=O Amb24615646 [0,1,0,0,0,0|0,0,2]=3 948 B9R0.39 COC(CC(N)=O)C(N)=O Amb24685112 [0,1,0,0,0,0|2,0,0]=3 949 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [0,1,0,0,0,0|1,0,0]=2 950 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [0,1,0,0,0,0|0,0,0]=1 951 B9R0.39 COC(NC(N)=O)C(O)=O Amb18124866 [0,1,0,0,0,0|2,0,0]=3 952 B9R0.39 COC(OC(C)=O)C(C)=O Amb25146803 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.39 CON(CC(O)=O)C(N)=O Amb24359859 [0,1,0,0,0,0|2,0,0]=3 954 B9R0.39 CO[C@@H](CC(N)=O)C(N)=O Amb25268728 [0,1,0,0,0,0|2,0,0]=3 955 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [0,1,0,0,0,0|0,0,0]=1 956 B9R0.39 CO\C(=C/C(O)=O)\C(O)=O Amb24480750 [0,1,0,0,0,0|0,0,2]=3 957 B9R0.39 CS(=O)N[C@@H](CO)C(O)=O Amb24583469 [0,1,0,0,0,0|3,0,0]=4 958 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [0,1,0,0,0,0|1,1,0]=3 959 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [0,1,0,0,0,0|0,1,0]=2 960 B9R0.39 CSC(NC(N)=O)C(O)=O Amb18126402 [0,1,0,0,0,0|2,1,0]=4 961 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [0,1,0,0,0,0|0,1,0]=2 962 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [0,1,0,0,0,0|1,1,0]=3 963 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [0,1,0,0,0,0|0,1,0]=2 964 B9R0.39 C[C@H](O)[C@@H](CC(O)=O)NC Amb24460369 [0,1,0,0,0,0|2,0,1]=4 965 B9R0.39 C\C(\Cl)=C/C(ON)C(O)=O Amb24390358 [0,1,0,0,0,0|2,0,1]=4 966 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,1,0,0,0,0|1,0,1]=3 967 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [0,1,0,0,0,0|1,0,0]=2 968 B9R0.39 NC(=N)NC(CO)C(O)=O Amb25073417 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.39 NC(=N)N[C@H](CO)C(O)=O Amb24685566 [0,1,0,0,0,0|3,0,0]=4 970 B9R0.39 NC(=O)C(CC(N)=O)C#N Amb25147452 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.39 NC(=O)N(CC(O)=O)N=O Amb25683110 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.39 NC(=O)N[C@@H](CN)C(O)=O Amb25083442 [0,1,0,0,0,0|3,0,0]=4 973 B9R0.39 NC(=O)N[C@@H](CO)C(O)=O Amb24505082 [0,1,0,0,0,0|2,0,0]=3 974 B9R0.39 NC(=O)N[C@H](CN)C(O)=O Amb24478873 [0,1,0,0,0,0|3,0,0]=4 975 B9R0.39 NC(=O)N[C@H](CO)C(O)=O Amb25147528 [0,1,0,0,0,0|2,0,0]=3 976 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [0,1,0,0,0,0|1,0,0]=2 977 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [0,1,0,0,0,0|1,0,0]=2 981 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [0,1,0,0,0,0|1,0,1]=3 982 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [0,1,0,0,0,0|1,0,1]=3 983 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,1,0,0,0,0|0,0,1]=2 984 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [0,1,0,0,0,0|0,0,0]=1 985 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [0,1,0,0,0,0|0,1,0]=2 986 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [0,1,0,0,0,0|1,0,0]=2 987 B9R0.39 OC(=O)C(CS)NS(O)=O Amb24482299 [0,1,0,0,0,0|2,1,0]=4 988 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [0,1,0,0,0,0|0,0,0]=1 989 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [0,1,0,0,0,0|0,0,0]=1 990 B9R0.39 OC(=O)\C(=C/C(O)=O)\C=O Amb24568885 [0,1,0,0,0,0|0,0,3]=4 991 B9R0.39 OC(=O)\C(=C\C(O)=O)\C=O Amb18644051 [0,1,0,0,0,0|0,0,3]=4 992 B9R0.39 OC(=O)\C(\CBr)=C/C(O)=O Amb24477098 [0,1,0,0,0,0|1,0,2]=4 993 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [0,1,0,0,0,0|1,0,1]=3 994 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [0,1,0,0,0,0|0,0,1]=2 995 B9R0.39 OCC(C(=O)O)NC(=O)C Amb1115493 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.39 OCC(C(=O)O)NC(=O)N Amb1055147 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.39 OCC(CC(F)F)C(O)=O Amb24514099 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [0,1,0,0,0,0|0,0,0]=1 999 B9R0.39 SCC(C(=O)O)NC(=O)C Amb1112748 [0,1,0,0,0,0|2,1,0]=4 1000 B9R0.39 SCC(C(=O)O)NC(=O)N Amb1119403 [0,1,0,0,0,0|2,1,0]=4 1001 B9R0.39 SC[C@@H](C(=O)O)NC(=O)N Amb17610484 [0,1,0,0,0,0|2,1,0]=4 1002 B9R0.42 C=C(CC(N)C(O)=O)C=C Amb25698333 [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.42 CC(=C)C(O)CC(=O)CC Amb24588855 [0,1,0,0,0,0|3,0,0]=4 1004 B9R0.42 CC(=O)C(=C)CC(=O)OC Amb24378956 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.42 CC(=O)C(=O)CC(=O)OC Amb25146895 [0,1,0,0,0,0|1,0,2]=4 1006 B9R0.42 CC(=O)C(C)CC(=C)CO Amb24477027 [0,1,0,0,0,0|3,0,0]=4 1007 B9R0.42 CC(=O)C(C)CC(=O)CC Amb25146752 [0,1,0,0,0,0|3,0,0]=4 1008 B9R0.42 CC(=O)C(C)OC(=O)CO Amb24482745 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.42 CC(=O)C(C)OC(=O)OC Amb24647748 [0,1,0,0,0,0|3,0,0]=4 1010 B9R0.42 CC(=O)C(Cl)CC(=O)OC Amb25061154 [0,1,0,0,0,0|2,0,0]=3 1011 B9R0.42 CC(=O)C(N)CC(=O)OC Amb24529258 [0,1,0,0,0,0|2,0,0]=3 1012 B9R0.42 CC(=O)C(O)CC(=O)CC Amb24467028 [0,1,0,0,0,0|2,0,0]=3 1013 B9R0.42 CC(=O)C(O)CC(=O)OC Amb25146688 [0,1,0,0,0,0|1,0,0]=2 1014 B9R0.42 CC(=O)[C@@H](C)CC(=C)CO Amb24423877 [0,1,0,0,0,0|3,0,0]=4 1015 B9R0.42 CC(=O)[C@H](C)NC(=O)OC Amb24377158 [0,1,0,0,0,0|3,0,0]=4 1016 B9R0.42 CC(C(=O)N)CC(=O)NC Amb17334219 [0,1,0,0,0,0|3,0,0]=4 1017 B9R0.42 CC(C(=O)O)NC(=O)CC Amb1116933 [0,1,0,0,0,0|3,0,0]=4 1018 B9R0.42 CC(C(=O)O)NC(=O)NC Amb1130316 [0,1,0,0,0,0|3,0,0]=4 1019 B9R0.42 CC(C)C(O)CC(=O)OC Amb24423234 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.42 CC(C)[C@H](O)CC(=O)OC Amb25847717 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.42 CC(CC(=O)CCl)C(O)=O Amb24585160 [0,1,0,0,0,0|2,0,0]=3 1022 B9R0.42 CC(CC(=O)CN)C(O)=O Amb25758299 [0,1,0,0,0,0|2,0,0]=3 1023 B9R0.42 CC(CC(=O)OC)C(C)O Amb25260435 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.42 CC(CC(F)C(O)=O)OC Amb25298262 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.42 CC(CC(N)C(O)=O)=C=C Amb24409576 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.42 CC(CC(O)C(O)=O)=NO Amb25291967 [0,1,0,0,0,0|1,0,0]=2 1030 B9R0.42 CC(CC(O)C(O)=O)CC Amb25849308 [0,1,0,0,0,0|2,0,1]=4 1031 B9R0.42 CC(CC(O)CN)C(O)=O Amb25375725 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [0,1,0,0,0,0|1,1,1]=4 1033 B9R0.42 CC(CN(C)C=O)C(O)=O Amb18292993 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.42 CC(O)C(N)CC(=O)OC Amb24466348 [0,1,0,0,0,0|2,0,1]=4 1036 B9R0.42 CC(O)C(O)CC(O)C=O Amb25729199 [0,1,0,0,0,0|1,0,2]=4 1037 B9R0.42 CC(O)[C@@H](N)CC(=O)OC Amb25315361 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.42 CC(OC(=O)CN)C(O)=O Amb25305694 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [0,1,0,0,0,0|2,0,0]=3 1040 B9R0.42 CCC(=C)CC(C)C(O)=O Amb25342029 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.42 CCC(=C)CC(O)C(O)=O Amb25200851 [0,1,0,0,0,0|2,0,0]=3 1042 B9R0.42 CCC(=C)C[C@H](C)C(O)=O Amb24384990 [0,1,0,0,0,0|3,0,0]=4 1043 B9R0.42 CCC(=C)C[C@H](N)C(O)=O Amb25694434 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.42 CCC(=O)CC(N)C(N)=O Amb25129863 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [0,1,0,0,0,0|2,0,0]=3 1046 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [0,1,0,0,0,0|2,0,0]=3 1047 B9R0.42 CCC(=O)C[C@@H](C)C(O)=O Amb24680887 [0,1,0,0,0,0|2,0,0]=3 1048 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [0,1,0,0,0,0|2,0,0]=3 1049 B9R0.42 CCC(=O)N[C@@H](C)C(O)=O Amb22901053 [0,1,0,0,0,0|3,0,0]=4 1050 B9R0.42 CCC(=O)OC(C)C(O)=O Amb18644241 [0,1,0,0,0,0|3,0,0]=4 1051 B9R0.42 CCC(=O)\C=C(/O)\C(O)=O Amb24681807 [0,1,0,0,0,0|1,0,2]=4 1052 B9R0.42 CCC(=O)\C=C(\O)/C(O)=O Amb24629501 [0,1,0,0,0,0|1,0,2]=4 1053 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.42 CCN(C)CC(O)C(O)=O Amb25367420 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.42 CCN(O)CC(O)C(O)=O Amb24699297 [0,1,0,0,0,0|2,0,0]=3 1057 B9R0.42 CCS(=O)CC(C)C(O)=O Amb19012076 [0,1,0,0,0,0|3,0,0]=4 1058 B9R0.42 CNC(=O)CC(=C)C(O)=O Amb22269311 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.42 CNC(=O)CC(N)C(N)=O Amb25284709 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [0,1,0,0,0,0|2,0,0]=3 1061 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [0,1,0,0,0,0|2,0,0]=3 1062 B9R0.42 CNC(=O)N[C@@H](C)C(O)=O Amb24478025 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.42 CNC(=O)N[C@H](C)C(O)=O Amb24558529 [0,1,0,0,0,0|3,0,0]=4 1064 B9R0.42 COC(=O)CC(=C)C(N)=O Amb24655917 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.42 COC(=O)CC(=O)C(O)=O Amb22728219 [0,1,0,0,0,0|0,0,2]=3 1066 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [0,1,0,0,0,0|1,0,0]=2 1067 B9R0.42 COC(=O)CC(C(=O)C)Br Amb17403794 [0,1,0,0,0,0|2,0,0]=3 1068 B9R0.42 COC(=O)CC(C)C(N)=O Amb24604307 [0,1,0,0,0,0|2,0,0]=3 1069 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [0,1,0,0,0,0|1,0,0]=2 1070 B9R0.42 COC(=O)CC(C)S(C)=O Amb18788309 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [0,1,0,0,0,0|1,0,0]=2 1072 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [0,1,0,0,0,0|0,0,0]=1 1073 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [0,1,0,0,0,0|1,0,0]=2 1074 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl Amb24556752 [0,1,0,0,0,0|2,0,0]=3 1075 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [0,1,0,0,0,0|1,0,0]=2 1076 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [0,1,0,0,0,0|0,0,0]=1 1077 B9R0.42 COC(=O)C[C@H](Br)C(N)=O Amb25326024 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [0,1,0,0,0,0|0,0,0]=1 1079 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [0,1,0,0,0,0|1,0,0]=2 1080 B9R0.42 COC(=O)NC(C)C(=O)Cl Amb25365583 [0,1,0,0,0,0|3,0,0]=4 1081 B9R0.42 COC(=O)NC(C)C(N)=O Amb24459048 [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.42 COC(=O)N[C@@H](C)C(O)=O Amb24477985 [0,1,0,0,0,0|2,0,0]=3 1083 B9R0.42 COC(=O)N[C@H](C)C(=O)Cl Amb24505067 [0,1,0,0,0,0|3,0,0]=4 1084 B9R0.42 COC(=O)N[C@H](C)C(O)=O Amb24381066 [0,1,0,0,0,0|2,0,0]=3 1085 B9R0.42 COC(=S)NC(C)C(O)=O Amb24740723 [0,1,0,0,0,0|2,1,0]=4 1086 B9R0.42 COC(=S)N[C@@H](C)C(O)=O Amb25088529 [0,1,0,0,0,0|2,1,0]=4 1087 B9R0.42 CO[C@@H](C)C[C@H](C)C(O)=O Amb24691586 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.42 C[C@@H](CC(=O)OC)[C@H](C)O Amb25206323 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.42 C[C@@H](C[C@H](O)CN)C(O)=O Amb24447195 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.42 C[C@@H](NC(=O)C#C)C(O)=O Amb25289450 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.42 C[C@@H](NC(=O)C=C)C(O)=O Amb25780798 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.42 C[C@@H](NC(=O)CN)C(O)=O Amb22746707 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.42 C[C@@H](O)[C@@H](O)C[C@@H](O)C=O Amb24524335 [0,1,0,0,0,0|1,0,2]=4 1094 B9R0.42 C[C@@H](O)[C@H](O)C[C@@H](O)C=O Amb25277248 [0,1,0,0,0,0|1,0,2]=4 1095 B9R0.42 C[C@H](C(=O)O)NC(=O)CCl Amb10842258 [0,1,0,0,0,0|3,0,0]=4 1096 B9R0.42 C[C@H](C[C@H](C)CO)C(O)=O Amb24480419 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.42 C[C@H](C[C@H](O)C(O)=O)CC Amb24446982 [0,1,0,0,0,0|2,0,1]=4 1099 B9R0.42 C[C@H](NC(=O)C=C)C(O)=O Amb25805764 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.42 C[C@H](NC(=O)CBr)C(O)=O Amb25804070 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.42 C[C@H](O)[C@@H](O)C[C@H](O)C=O Amb25131111 [0,1,0,0,0,0|1,0,2]=4 1102 B9R0.42 C[C@H](O)[C@H](O)CC(=O)C=O Amb25313074 [0,1,0,0,0,0|1,0,2]=4 1103 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.42 C\C(=C/C(=O)OC)\C(O)=O Amb18644070 [0,1,0,0,0,0|1,0,2]=4 1105 B9R0.42 C\C(=C\C(=O)OC)\C(O)=O Amb24670134 [0,1,0,0,0,0|1,0,2]=4 1106 B9R0.42 C\C(=N\C(=O)CO)\C(O)=O Amb24505276 [0,1,0,0,0,0|2,0,1]=4 1107 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [0,1,0,0,0,0|3,0,0]=4 1109 B9R0.42 NC(CC(=O)CBr)C(O)=O Amb24477386 [0,1,0,0,0,0|2,0,0]=3 1110 B9R0.42 NC(CC(=O)CCl)C(O)=O Amb24061070 [0,1,0,0,0,0|2,0,0]=3 1111 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [0,1,0,0,0,0|1,0,0]=2 1112 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [0,1,0,0,0,0|2,0,0]=3 1113 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [0,1,0,0,0,0|1,0,0]=2 1114 B9R0.42 NC(CC(Br)=CBr)C(O)=O Amb24644290 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [0,1,0,0,0,0|1,0,2]=4 1117 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [0,1,0,0,0,0|1,0,2]=4 1118 B9R0.42 NC(\C=C(\P)/C=O)C(O)=O Amb25361040 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.42 NCC(=O)CC(F)C(O)=O Amb25367166 [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.42 NCC(=O)CC(N)C(O)=O Amb24462002 [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.42 NCC(=O)C[C@H](N)C(O)=O Amb25757838 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.42 NC[C@H](O)C[C@H](O)C(O)=O Amb24383534 [0,1,0,0,0,0|1,0,1]=3 1123 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [0,1,0,0,0,0|2,0,0]=3 1124 B9R0.42 N[C@@H](CC(=O)CBr)C(O)=O Amb24477399 [0,1,0,0,0,0|2,0,0]=3 1125 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [0,1,0,0,0,0|1,0,1]=3 1128 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [0,1,0,0,0,0|1,0,2]=4 1130 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [0,1,0,0,0,0|1,0,0]=2 1133 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [0,1,0,0,0,0|2,0,0]=3 1136 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [0,1,0,0,0,0|2,0,0]=3 1137 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [0,1,0,0,0,0|2,0,0]=3 1138 B9R0.42 OC(=O)C(O)CC(=O)CBr Amb24477419 [0,1,0,0,0,0|1,0,0]=2 1139 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [0,1,0,0,0,0|0,0,2]=3 1140 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [0,1,0,0,0,0|0,0,2]=3 1141 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [0,1,0,0,0,0|0,0,2]=3 1142 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [0,1,0,0,0,0|0,0,2]=3 1143 B9R0.57 CC(C)(C)CC(O)C(O)=O Amb18302187 [0,1,0,0,0,0|2,0,1]=4 1144 B9R0.57 CC(C)(C)C[C@@H](O)C(O)=O Amb22057813 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.57 CC(C)(C)C[C@H](O)C(O)=O Amb25727583 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.57 CC(C)(O)CC(N)C(O)=O Amb18644326 [0,1,0,0,0,0|2,0,1]=4 1147 B9R0.57 CC(C)(O)C[C@@H](N)C(O)=O Amb24479570 [0,1,0,0,0,0|2,0,1]=4 1148 B9R0.57 CC(CC(C)(C)O)C(O)=O Amb24529313 [0,1,0,0,0,0|2,0,1]=4 1149 B9R0.57 CC(CS(=O)(=O)Cl)C(O)=O Amb25243850 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.57 CC(CS(C)(=O)=O)C(O)=O Amb18971622 [0,1,0,0,0,0|2,0,1]=4 1151 B9R0.57 CC(CS(N)(=O)=O)C(O)=O Amb18563379 [0,1,0,0,0,0|2,0,1]=4 1152 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [0,1,0,0,0,0|2,0,0]=3 1153 B9R0.57 CC(NP(O)(O)=O)C(O)=O Amb25138603 [0,1,0,0,0,0|3,0,0]=4 1154 B9R0.57 CS(=N)(=O)CC(N)C(O)=O Amb24732321 [0,1,0,0,0,0|3,0,0]=4 1155 B9R0.57 CS(=O)(=O)CC(O)C(O)=O Amb24398186 [0,1,0,0,0,0|1,0,1]=3 1156 B9R0.57 C[C@@H](CS(C)(=O)=O)C(O)=O Amb24652197 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.57 C[C@H](CS(C)(=O)=O)C(O)=O Amb24436447 [0,1,0,0,0,0|2,0,1]=4 1158 B9R0.57 C[C@H](OP(O)(O)=O)C(O)=O Amb24400328 [0,1,0,0,0,0|3,0,0]=4 1159 B9R0.57 C[S@](=N)(=O)C[C@H](N)C(O)=O Amb25749061 [0,1,0,0,0,0|3,0,0]=4 1160 B9R0.57 C[Si](C)(O)CC(N)C(O)=O Amb25060652 [0,1,0,0,0,0|2,1,0]=4 1161 B9R0.57 NC(CS(O)(=O)=O)C(N)=O Amb25803913 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.57 NC(CS(O)(=O)=O)C(O)=O Amb21929317 [0,1,0,0,0,0|2,0,0]=3 1163 B9R0.57 N[C@@H](CS(=O)(=O)S)C(O)=O Amb24463064 [0,1,0,0,0,0|2,0,1]=4 1164 B9R0.57 N[C@@H](CS(O)(=O)=O)C(N)=O Amb25697195 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O Amb17942867 [0,1,0,0,0,0|2,0,0]=3 1166 B9R0.57 OC(=O)C(=C)CP(O)(O)=O Amb17785031 [0,1,0,0,0,0|2,0,1]=4 1167 B9R0.57 OC(=O)C(=O)CP(=O)(O)O Amb17619389 [0,1,0,0,0,0|1,0,2]=4 1168 B9R0.57 OC(=O)C(Cl)CS(=O)(=O)Cl Amb25227218 [0,1,0,0,0,0|2,0,1]=4 1169 B9R0.57 OC(=O)C(F)CS(=O)(=O)Cl Amb24595029 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [0,1,0,0,0,0|1,0,1]=3 1171 B9R0.57 OC(CC(F)(F)F)C(O)=O Amb24482207 [0,1,0,0,0,0|2,0,1]=4 1172 B9R0.57 OC(CS(O)(=O)=O)C(O)=O Amb20247567 [0,1,0,0,0,0|1,0,0]=2 1173 B9R0.57 OC(OP(O)(O)=O)C(O)=O Amb25380880 [0,1,0,0,0,0|2,0,0]=3 1174 B9R0.57 O[C@@H](CC(F)(F)F)C(O)=O Amb24594513 [0,1,0,0,0,0|2,0,1]=4 1175 B9R0.57 O[C@H](CS(O)(=O)=O)C(O)=O Amb24482388 [0,1,0,0,0,0|1,0,0]=2 1176 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,1,0,0,0,0|2,0,1]=4 1177 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,1,0,0,0,0|1,0,1]=3 1178 B9R0.79 C=C(C(O)=O)C(=C)C(O)=O Amb18643786 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,1,0,0,0,0|0,0,1]=2 1180 B9R0.79 CC(=C)C(O)C(C)C(O)=O Amb18644101 [0,1,0,0,0,0|2,0,0]=3 1181 B9R0.79 CC(=C)[C@@H](C)[C@H](C)C(O)=O Amb24480381 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.79 CC(=C)[C@@H](O)[C@H](C)C(O)=O Amb24599978 [0,1,0,0,0,0|2,0,0]=3 1183 B9R0.79 CC(=C)[C@H](C)[C@H](C)C(O)=O Amb25122106 [0,1,0,0,0,0|3,0,0]=4 1184 B9R0.79 CC(=C)[C@H](O)[C@@H](C)C(O)=O Amb25111582 [0,1,0,0,0,0|2,0,0]=3 1185 B9R0.79 CC(=O)C(=C)C(O)C(O)=O Amb24563821 [0,1,0,0,0,0|1,0,1]=3 1186 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,1,0,0,0,0|2,0,0]=3 1187 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,1,0,0,0,0|2,0,0]=3 1188 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,1,0,0,0,0|1,0,0]=2 1189 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,1,0,0,0,0|1,0,0]=2 1190 B9R0.79 CC(=O)C(O)C(O)C(O)=O Amb25292189 [0,1,0,0,0,0|1,0,0]=2 1191 B9R0.79 CC(=O)N(C)C(C)C(O)=O Amb18288022 [0,1,0,0,0,0|3,0,0]=4 1192 B9R0.79 CC(=O)N(C)[C@@H](C)C(O)=O Amb25709201 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.79 CC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb25146730 [0,1,0,0,0,0|3,0,0]=4 1194 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,1,0,0,0,0|2,0,0]=3 1195 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,1,0,0,0,0|2,0,0]=3 1196 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)=O Amb17666645 [0,1,0,0,0,0|2,0,0]=3 1197 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,1,0,0,0,0|1,0,0]=2 1198 B9R0.79 CC(=O)[C@@H](O)[C@H](O)C(C)=O Amb25146821 [0,1,0,0,0,0|2,0,0]=3 1199 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,1,0,0,0,0|2,0,0]=3 1200 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,1,0,0,0,0|1,0,0]=2 1201 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,1,0,0,0,0|1,0,1]=3 1202 B9R0.79 CC(C(C)C(=O)Cl)C(=O)Cl Amb22347385 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.79 CC(C(Cl)C(C)=O)C(C)=O Amb24357432 [0,1,0,0,0,0|3,0,0]=4 1204 B9R0.79 CC(C(O)=O)=C(C)C(O)=O Amb24712245 [0,1,0,0,0,0|1,0,2]=4 1205 B9R0.79 CC(C(O)=O)N(C)C(N)=O Amb18962712 [0,1,0,0,0,0|3,0,0]=4 1206 B9R0.79 CC(C(O)C(C)=C)C(C)=O Amb25145557 [0,1,0,0,0,0|3,0,0]=4 1207 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,1,0,0,0,0|1,0,0]=2 1208 B9R0.79 CC(C(O)C(O)=O)N(C)C Amb25274735 [0,1,0,0,0,0|3,0,0]=4 1209 B9R0.79 CC(C)C(O)C(Br)C(O)=O Amb25313138 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.79 CC(C)C(O)C(C)C(O)=O Amb18990636 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.79 CC(C)C(O)C(Cl)C(O)=O Amb25275308 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.79 CC(C)C(O)C(N)C(O)=O Amb23399656 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.79 CC(C)C(O)[C@@H](N)C(O)=O Amb19130451 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.79 CC(C)C(O)[C@H](N)C(O)=O Amb24509492 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.79 CC(C)[C@@H](C)[C@H](O)C(O)=O Amb24447350 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.79 CC(C)[C@@H](N)C(O)C(O)=O Amb25258947 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(O)=O Amb22224932 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.79 CC(C)[C@@H](O)[C@@H](O)C(O)=O Amb25222321 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.79 CC(C)[C@@H](O)[C@H](O)C(O)=O Amb24550312 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.79 CC(C)[C@H](C)[C@H](O)C(O)=O Amb24548143 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.79 CC(C)[C@H](N)C(O)C(O)=O Amb24744520 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.79 CC(C)[C@H](N)[C@@H](O)C(O)=O Amb24428177 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.79 CC(C)[C@H](N)[C@H](O)C(O)=O Amb25147282 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.79 CC(C)[C@H](O)[C@@H](Br)C(O)=O Amb24598278 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.79 CC(O)C(O)C(O)C(C)=O Amb25145498 [0,1,0,0,0,0|2,0,1]=4 1228 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,1,0,0,0,0|2,0,1]=4 1229 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,1,0,0,0,0|1,0,0]=2 1230 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,1,0,0,0,0|2,0,1]=4 1231 B9R0.79 CC([C@@H]([C@H](C(=O)O)C)O)C Amb10844253 [0,1,0,0,0,0|2,0,1]=4 1232 B9R0.79 CC([C@@H]([C@H](C(=O)O)N)O)C Amb10807407 [0,1,0,0,0,0|2,0,1]=4 1233 B9R0.79 CN(O)C(C)C(C)C(O)=O Amb24540667 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,1,0,0,0,0|1,0,1]=3 1235 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,1,0,0,0,0|2,0,1]=4 1236 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,1,0,0,0,0|2,0,1]=4 1237 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(C)=O Amb24661092 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24482345 [0,1,0,0,0,0|1,0,1]=3 1239 B9R0.79 C[C@@H](O)[C@H](O)[C@H](O)C(O)=O Amb24711187 [0,1,0,0,0,0|1,0,1]=3 1240 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,1,0,0,0,0|1,0,0]=2 1241 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,1,0,0,0,0|1,0,0]=2 1242 B9R0.79 C[C@@H]([C@H](O)C(C)=C)C(C)=O Amb25146727 [0,1,0,0,0,0|3,0,0]=4 1243 B9R0.79 C[C@@H]([C@H](O)C(O)=O)N(C)C Amb24480709 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.79 C[C@@H]([C@H](O)[C@H](C)N)C(O)=O Amb24563136 [0,1,0,0,0,0|2,0,1]=4 1245 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,1,0,0,0,0|1,0,1]=3 1246 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,1,0,0,0,0|2,0,1]=4 1247 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(N)=O Amb24712923 [0,1,0,0,0,0|2,0,1]=4 1248 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25374422 [0,1,0,0,0,0|1,0,1]=3 1249 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,1,0,0,0,0|2,0,0]=3 1250 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,1,0,0,0,0|2,0,1]=4 1251 B9R0.79 C[C@H]([C@H](C)C(N)=O)C(N)=O Amb25091711 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,1,0,0,0,0|1,0,0]=2 1253 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,1,0,0,0,0|1,0,0]=2 1254 B9R0.79 C\C(\C(O)=O)=C(/C)\C(O)=O Amb18644072 [0,1,0,0,0,0|1,0,2]=4 1255 B9R0.79 C\C(\C(O)=O)=C(\C)/C(O)=O Amb24308873 [0,1,0,0,0,0|1,0,2]=4 1256 B9R0.79 NC(=O)C(Br)C(Br)C(N)=O Amb25243175 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,1,0,0,0,0|2,0,0]=3 1258 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,1,0,0,0,0|2,0,0]=3 1259 B9R0.79 NC(=O)C(O)C(F)C(N)=O Amb24710117 [0,1,0,0,0,0|2,0,0]=3 1260 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,1,0,0,0,0|1,0,0]=2 1261 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,1,0,0,0,0|1,0,0]=2 1262 B9R0.79 NC(=O)C(S)C(S)C(N)=O Amb25804691 [0,1,0,0,0,0|2,1,0]=4 1263 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,1,0,0,0,0|1,0,0]=2 1264 B9R0.79 NC(=O)[C@@H](O)[C@@H](O)C(N)=O Amb25738404 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,1,0,0,0,0|1,0,0]=2 1266 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,1,0,0,0,0|1,0,0]=2 1267 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,1,0,0,0,0|1,0,0]=2 1269 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,1,0,0,0,0|2,0,0]=3 1270 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,1,0,0,0,0|1,0,0]=2 1271 B9R0.79 NC(=S)C(O)C(O)C(O)=O Amb25855735 [0,1,0,0,0,0|1,1,0]=3 1272 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,1,0,0,0,0|1,0,0]=2 1273 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,1,0,0,0,0|1,0,0]=2 1274 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,1,0,0,0,0|1,0,0]=2 1275 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,1,0,0,0,0|1,0,0]=2 1276 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,1,0,0,0,0|1,0,0]=2 1277 B9R0.79 NC(C(O)=O)=C(N)C(O)=O Amb25349480 [0,1,0,0,0,0|1,0,2]=4 1278 B9R0.79 NC(C(O)C(F)F)C(O)=O Amb19148422 [0,1,0,0,0,0|2,0,1]=4 1279 B9R0.79 NC(C(O)C(N)=O)C(N)=O Amb25733436 [0,1,0,0,0,0|2,0,0]=3 1280 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,1,0,0,0,0|0,0,0]=1 1281 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,1,0,0,0,0|0,0,0]=1 1282 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,1,0,0,0,0|0,0,0]=1 1283 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,1,0,0,0,0|0,0,0]=1 1284 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,1,0,0,0,0|1,0,0]=2 1285 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,1,0,0,0,0|1,0,0]=2 1286 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,1,0,0,0,0|1,0,0]=2 1287 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,1,0,0,0,0|0,0,0]=1 1288 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,1,0,0,0,0|1,0,0]=2 1289 B9R0.79 N[C@H]([C@H](O)C(N)=O)C(N)=O Amb24359322 [0,1,0,0,0,0|2,0,0]=3 1290 B9R0.79 N\C(\C(O)=O)=C(/N)\C(O)=O Amb24578776 [0,1,0,0,0,0|1,0,2]=4 1291 B9R0.79 OC(=O)C(=O)C(=O)C(O)=O Amb22234966 [0,1,0,0,0,0|0,0,3]=4 1292 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,1,0,0,0,0|1,0,0]=2 1293 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,1,0,0,0,0|1,0,0]=2 1294 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,1,0,0,0,0|0,0,0]=1 1295 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,1,0,0,0,0|0,0,0]=1 1296 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,1,0,0,0,0|0,0,0]=1 1297 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,1,0,0,0,0|0,0,0]=1 1298 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,1,0,0,0,0|0,0,0]=1 1299 B9R0.79 OC(=O)C(Cl)=C(Cl)C(O)=O Amb25173036 [0,1,0,0,0,0|1,0,2]=4 1300 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,1,0,0,0,0|1,0,0]=2 1301 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,1,0,0,0,0|1,0,0]=2 1302 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,1,0,0,0,0|0,0,0]=1 1303 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,1,0,0,0,0|0,0,0]=1 1304 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,1,0,0,0,0|0,0,0]=1 1305 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,1,0,0,0,0|0,0,0]=1 1306 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,1,0,0,0,0|0,0,0]=1 1307 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,1,0,0,0,0|1,0,0]=2 1308 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,1,0,0,0,0|1,0,0]=2 1309 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,1,0,0,0,0|0,0,0]=1 1310 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,1,0,0,0,0|0,0,0]=1 1311 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,1,0,0,0,0|0,0,0]=1 1312 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,1,0,0,0,0|0,0,0]=1 1313 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,1,0,0,0,0|0,0,0]=1 1314 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,1,0,0,0,0|0,0,0]=1 1315 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,1,0,0,0,0|0,0,0]=1 1316 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,1,0,0,0,0|0,0,0]=1 1317 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,1,0,0,0,0|1,0,0]=2 1318 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,1,0,0,0,0|1,0,0]=2 1319 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,1,0,0,0,0|1,0,0]=2 1320 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,1,0,0,0,0|0,0,0]=1 1321 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,1,0,0,0,0|0,0,0]=1 1322 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,1,0,0,0,0|0,0,0]=1 1323 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,1,0,0,0,0|0,1,0]=2 1324 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,1,0,0,0,0|0,0,0]=1 1325 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,1,0,0,0,0|0,0,0]=1 1326 B9R0.79 OC(=O)\C(\Br)=C(\Br)/C(O)=O Amb22347940 [0,1,0,0,0,0|1,0,2]=4 1327 B9R0.79 OC(=O)\C(\Cl)=C(\Cl)/C(O)=O Amb18522185 [0,1,0,0,0,0|1,0,2]=4 1328 B9R0.79 OC(=O)\C(\F)=C(\Cl)/C(O)=O Amb24711227 [0,1,0,0,0,0|1,0,2]=4 1329 B9R0.79 OC(=O)\C(\O)=C(/O)\C(O)=O Amb18511532 [0,1,0,0,0,0|0,0,2]=3 1330 B9R0.79 OC(C(C(=O)C)O)C(=O)C Amb17593650 [0,1,0,0,0,0|2,0,0]=3 1331 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] Amb10558451 [0,1,0,0,0,0|0,0,2]=3 1332 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,1,0,0,0,0|0,0,0]=1 1333 B9R0.79 OC(C(O)C(=O)Cl)C(=O)Cl Amb25187317 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.79 OC(C(O)C(F)F)C(O)=O Amb24639614 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,1,0,0,0,0|0,0,0]=1 1336 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,1,0,0,0,0|0,0,0]=1 1337 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,1,0,0,0,0|0,0,0]=1 1338 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,1,0,0,0,0|0,0,0]=1 1339 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,1,0,0,0,0|0,0,0]=1 1340 B9R0.79 O[C@H]([C@@H](O)C(=O)Cl)C(=O)Cl Amb25831919 [0,1,0,0,0,0|2,0,0]=3 1341 B9R0.79 O\C(=C(\C(=O)O)/O)\C(=O)O Amb17593679 [0,1,0,0,0,0|0,0,2]=3 1342 B9R0.79 [2H]\C(\C(O)=O)=C(\[2H])/C(O)=O Amb22338640 [0,1,0,0,0,0|1,0,2]=4 1343 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb20246422 [0,1,0,0,0,0|0,0,1]=2 1344 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb22052542 [0,1,0,0,0,0|0,0,1]=2 1345 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb19959974 [0,1,0,0,0,0|0,0,2]=3 1346 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb20246805 [0,1,0,0,0,0|0,0,2]=3 1347 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22043187 [0,1,0,0,0,0|0,0,2]=3 1348 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22051664 [0,1,0,0,0,0|0,0,2]=3 1349 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052534 [0,1,0,0,0,0|0,0,2]=3 1350 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052640 [0,1,0,0,0,0|0,0,2]=3 1351 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22054182 [0,1,0,0,0,0|0,0,2]=3 1352 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22167369 [0,1,0,0,0,0|0,0,2]=3 1353 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22230382 [0,1,0,0,0,0|0,0,2]=3 1354 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22338780 [0,1,0,0,0,0|0,0,2]=3 1355 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730412 [0,1,0,0,0,0|0,0,2]=3 1356 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730657 [0,1,0,0,0,0|0,0,2]=3 1357 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22731372 [0,1,0,0,0,0|0,0,2]=3 1358 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732246 [0,1,0,0,0,0|0,0,2]=3 1359 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732893 [0,1,0,0,0,0|0,0,2]=3 1360 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733947 [0,1,0,0,0,0|0,0,2]=3 1361 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733989 [0,1,0,0,0,0|0,0,2]=3 1362 B9R0.79 [O-]C(=O)[C@@H](O)[C@@H](O)C([O-])=O Amb22801615 [0,1,0,0,0,0|0,0,2]=3 1363 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22348349 [0,1,0,0,0,0|0,0,1]=2 1364 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800925 [0,1,0,0,0,0|0,0,1]=2 1365 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C(O)=O Amb22353007 [0,1,0,0,0,0|0,0,1]=2 1366 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22336596 [0,1,0,0,0,0|0,0,2]=3 1367 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22337906 [0,1,0,0,0,0|0,0,2]=3 1368 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348174 [0,1,0,0,0,0|0,0,2]=3 1369 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348226 [0,1,0,0,0,0|0,0,2]=3 1370 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348279 [0,1,0,0,0,0|0,0,2]=3 1371 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22350400 [0,1,0,0,0,0|0,0,2]=3 1372 B9R0.79 [O-]C(C(O)C([O-])=O)C([O-])=O Amb22043193 [0,1,0,0,0,0|0,0,2]=3 1373 B9R1.35 C=C(Br)C1CC(=O)OC1 Amb25707934 [0,0,0,1,0,0|3,0,0]=4 1374 B9R1.35 C=C1CNC(C1)C(O)=O Amb24594868 [0,0,0,1,0,0|3,0,0]=4 1375 B9R1.35 CC(=O)C1CC(=O)C=C1 Amb25851582 [0,0,0,1,0,0|3,0,0]=4 1376 B9R1.35 CC(=O)C1CC(=O)CC1 Amb24423910 [0,0,0,1,0,0|3,0,0]=4 1377 B9R1.35 CC(=O)C1CC(=O)CS1 Amb24061575 [0,0,0,1,0,0|2,1,0]=4 1378 B9R1.35 CC(=O)[C@@H]1CC(=O)OC1 Amb18832647 [0,0,0,1,0,0|2,0,0]=3 1379 B9R1.35 CC(=O)[C@H]1CC(=O)CC1 Amb24407171 [0,0,0,1,0,0|3,0,0]=4 1380 B9R1.35 CC(=O)[C@H]1CC(=O)OC1 Amb24390313 [0,0,0,1,0,0|2,0,0]=3 1381 B9R1.35 CC(O)C1CC(=O)OC1 Amb25739837 [0,0,0,1,0,0|2,0,1]=4 1382 B9R1.35 CC1=NC(CO1)C(O)=O Amb20621597 [0,0,0,1,0,0|3,0,0]=4 1383 B9R1.35 CC=1CC(CC1)C(O)=O Amb18642425 [0,0,0,1,0,0|3,0,0]=4 1384 B9R1.35 CC=1CC(NC1)C(O)=O Amb25772613 [0,0,0,1,0,0|3,0,0]=4 1385 B9R1.35 CC=1CC(ON1)C(C)=O Amb24457979 [0,0,0,1,0,0|3,0,0]=4 1386 B9R1.35 CC=1C[C@H](CC1)C(O)=O Amb24350803 [0,0,0,1,0,0|3,0,0]=4 1387 B9R1.35 CC=1C[C@H](ON1)C(C)=O Amb25839278 [0,0,0,1,0,0|3,0,0]=4 1388 B9R1.35 CC=1C[C@H](ON1)C(O)=O Amb25189709 [0,0,0,1,0,0|2,0,0]=3 1389 B9R1.35 C[C@@H](O)[C@H]1CC(=O)OC1 Amb25215452 [0,0,0,1,0,0|2,0,1]=4 1390 B9R1.35 C[C@@H]1C[C@@H](ON1)C(O)=O Amb24680946 [0,0,0,1,0,0|2,0,1]=4 1391 B9R1.35 NC(=O)C1CC(=NO1)Br Amb10067861 [0,0,0,1,0,0|3,0,0]=4 1392 B9R1.35 NC(=O)C1COC(=O)N1 Amb24683685 [0,0,0,1,0,0|3,0,0]=4 1393 B9R1.35 NC1CC(OC1)C(O)=O Amb18642828 [0,0,0,1,0,0|2,0,1]=4 1394 B9R1.35 N[C@@H]1C[C@@H](OC1)C(O)=O Amb24548389 [0,0,0,1,0,0|2,0,1]=4 1395 B9R1.35 N[C@@H]1C[C@H](OC1)C(O)=O Amb24117069 [0,0,0,1,0,0|2,0,1]=4 1396 B9R1.35 N[C@H]1C[C@@H](OC1)C(O)=O Amb25691536 [0,0,0,1,0,0|2,0,1]=4 1397 B9R1.35 N[C@H]1C[C@H](OC1)C(O)=O Amb25799075 [0,0,0,1,0,0|2,0,1]=4 1398 B9R1.35 O=C1CC(CN1)C(=O)Cl Amb24742783 [0,0,0,1,0,0|3,0,0]=4 1399 B9R1.35 O=C1CC(CO1)C(=O)Cl Amb25146217 [0,0,0,1,0,0|2,0,0]=3 1400 B9R1.35 O=C1CC(CS1)C(=O)Cl Amb25689754 [0,0,0,1,0,0|2,1,0]=4 1401 B9R1.35 O=C1CC(NN1)C(=O)Cl Amb24062251 [0,0,0,1,0,0|3,0,0]=4 1402 B9R1.35 O=C1CCC(C1)C(=O)Cl Amb25282784 [0,0,0,1,0,0|3,0,0]=4 1403 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [0,0,0,1,0,0|3,0,0]=4 1404 B9R1.35 O=C1NCC(C1)C(=O)N Amb1803351 [0,0,0,1,0,0|3,0,0]=4 1405 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [0,0,0,1,0,0|2,0,0]=3 1406 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [0,0,0,1,0,0|2,0,0]=3 1407 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [0,0,0,1,0,0|1,1,0]=3 1408 B9R1.35 O=C1SC[C@H](N1)C(=O)O Amb1157856 [0,0,0,1,0,0|2,1,0]=4 1409 B9R1.35 OB(O)C1COC(=O)C1 Amb24481982 [0,0,0,1,0,0|2,0,1]=4 1410 B9R1.35 OC(=O)C1=CC(=O)NO1 Amb19889163 [0,0,0,1,0,0|1,0,2]=4 1411 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [0,0,0,1,0,0|1,1,0]=3 1412 B9R1.35 OC(=O)C1CC(=O)NN1 Amb18642739 [0,0,0,1,0,0|2,0,0]=3 1413 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [0,0,0,1,0,0|1,0,0]=2 1414 B9R1.35 OC(=O)C1CC(Cl)=CC1 Amb23594523 [0,0,0,1,0,0|3,0,0]=4 1415 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [0,0,0,1,0,0|3,0,0]=4 1416 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [0,0,0,1,0,0|3,0,0]=4 1417 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [0,0,0,1,0,0|3,0,0]=4 1418 B9R1.35 OC(=O)C1CNC(=O)O1 Amb24112958 [0,0,0,1,0,0|3,0,0]=4 1419 B9R1.35 OC(=O)C1CNC(=O)S1 Amb24084914 [0,0,0,1,0,0|3,0,0]=4 1420 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [0,0,0,1,0,0|2,0,0]=3 1421 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [0,0,0,1,0,0|2,0,0]=3 1422 B9R1.35 OC(=O)C1CSC(=O)S1 Amb23504458 [0,0,0,1,0,0|2,1,0]=4 1423 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [0,0,0,1,0,0|2,1,0]=4 1424 B9R1.35 OC(=O)C=1CC(=O)NC1 Amb18832707 [0,0,0,1,0,0|2,0,1]=4 1425 B9R1.35 OC(=O)C=1CC(=O)NN1 Amb18278720 [0,0,0,1,0,0|2,0,1]=4 1426 B9R1.35 OC(=O)C=1CC(=O)ON1 Amb25700026 [0,0,0,1,0,0|1,0,1]=3 1427 B9R1.35 OC(=O)C=1COC(=O)C1 Amb18642559 [0,0,0,1,0,0|1,0,2]=4 1428 B9R1.35 OC(=O)[C@@H]1C=CC(=O)N1 Amb25140391 [0,0,0,1,0,0|3,0,0]=4 1429 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [0,0,0,1,0,0|2,0,0]=3 1430 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [0,0,0,1,0,0|2,0,0]=3 1431 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [0,0,0,1,0,0|2,0,0]=3 1432 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [0,0,0,1,0,0|2,0,0]=3 1433 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [0,0,0,1,0,0|3,0,0]=4 1434 B9R1.35 OC(=O)[C@@H]1CNC(=O)O1 Amb25146207 [0,0,0,1,0,0|3,0,0]=4 1435 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [0,0,0,1,0,0|2,0,0]=3 1436 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [0,0,0,1,0,0|2,0,0]=3 1437 B9R1.35 OC(=O)[C@H]1CNC(=O)N1 Amb24079612 [0,0,0,1,0,0|3,0,0]=4 1438 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [0,0,0,1,0,0|2,0,0]=3 1439 B9R1.35 OC1=CC(NN1)C(O)=O Amb25224097 [0,0,0,1,0,0|2,0,1]=4 1440 B9R1.35 OC1CC(C=C1)C(O)=O Amb25078348 [0,0,0,1,0,0|2,0,1]=4 1441 B9R1.35 OC1CC(N=C1)C(O)=O Amb24083052 [0,0,0,1,0,0|2,0,1]=4 1442 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [0,0,0,1,0,0|2,0,1]=4 1443 B9R1.35 OC1CNC(C1)C(=O)O Amb1151287 [0,0,0,1,0,0|2,0,1]=4 1444 B9R1.35 OC1CN[C@@H](C1)C(O)=O Amb25743296 [0,0,0,1,0,0|2,0,1]=4 1445 B9R1.35 OC1COC(C1)C(O)=O Amb18642869 [0,0,0,1,0,0|1,0,1]=3 1446 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [0,0,0,1,0,0|2,0,1]=4 1447 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [0,0,0,1,0,0|2,0,1]=4 1448 B9R1.35 O[C@@H]1CNC(C1)C(O)=O Amb25118054 [0,0,0,1,0,0|2,0,1]=4 1449 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O Amb22748218 [0,0,0,1,0,0|2,0,1]=4 1450 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O Amb16230723 [0,0,0,1,0,0|2,0,1]=4 1451 B9R1.35 O[C@@H]1CO[C@@H](C1)C(O)=O Amb24501449 [0,0,0,1,0,0|1,0,1]=3 1452 B9R1.35 O[C@@H]1CO[C@H](C1)C(O)=O Amb24501448 [0,0,0,1,0,0|1,0,1]=3 1453 B9R1.35 O[C@H]1CNC(C1)C(O)=O Amb24682710 [0,0,0,1,0,0|2,0,1]=4 1454 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O Amb1994991 [0,0,0,1,0,0|2,0,1]=4 1455 B9R1.35 Oc1[n]oc([n]1)C(O)=O Amb24742050 [0,0,0,1,0,0|2,0,1]=4 1456 B9R1.35 Oc1coc([n]1)C(O)=O Amb25243276 [0,0,0,1,0,0|2,0,1]=4 1457 B9R1.36 CC1(C)CC(O)C(=O)O1 Amb25245118 [0,0,0,1,0,0|2,0,1]=4 1458 B9R1.38 CC1(C)OC(=O)CC1O Amb25198591 [0,0,0,1,0,0|2,0,1]=4 1459 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [0,0,0,1,0,0|3,0,0]=4 1460 B9R1.55 CC(C)C1OC(=O)C1O Amb25680475 [0,0,0,1,0,0|2,0,1]=4 1461 B9R1.55 CC(O)C1NC(=O)C1O Amb24557165 [0,0,0,1,0,0|2,0,1]=4 1462 B9R1.55 CC(O)[C@@H]1NC(=O)[C@@H]1O Amb24515157 [0,0,0,1,0,0|2,0,1]=4 1463 B9R1.55 CC1C(NC1=O)C(O)=O Amb25339232 [0,0,0,1,0,0|2,0,0]=3 1464 B9R1.55 CC1C(OC1=O)C(C)O Amb25177629 [0,0,0,1,0,0|2,0,1]=4 1465 B9R1.55 CN1C(CC1=O)C(O)=O Amb22011579 [0,0,0,1,0,0|3,0,0]=4 1466 B9R1.55 N[C@@H]1[C@H](C[C@@H]1O)C(O)=O Amb24514844 [0,0,0,1,0,0|2,0,1]=4 1467 B9R1.67 CC(=O)CC1CCC1=O Amb24434546 [0,0,0,1,0,0|3,0,0]=4 1468 B9R1.67 OC(=O)CN1CCC1=O Amb25368422 [0,0,0,1,0,0|3,0,0]=4 1469 B9R1.69 CC1COC(=O)CC1O Amb25781910 [0,0,0,1,0,0|2,0,1]=4 1470 B9R1.69 CC1NC(=O)COC1=O Amb20669551 [0,0,0,1,0,0|3,0,0]=4 1471 B9R1.69 CC1NC(=O)OCC1=O Amb25685634 [0,0,0,1,0,0|3,0,0]=4 1472 B9R1.69 C[C@@H]1NC(=O)OCC1=O Amb24745337 [0,0,0,1,0,0|3,0,0]=4 1473 B9R1.69 C[C@H]1COC(=O)C[C@H]1O Amb24516166 [0,0,0,1,0,0|2,0,1]=4 1474 B9R1.69 O=C1CC(Br)C(=O)CC1 Amb25775016 [0,0,0,1,0,0|3,0,0]=4 1475 B9R1.69 O=C1CC(Cl)C(=O)CC1 Amb24452362 [0,0,0,1,0,0|3,0,0]=4 1476 B9R1.69 OC1CC(=O)CCC1O Amb24384658 [0,0,0,1,0,0|2,0,1]=4 1477 B9R1.69 OC1CNC(=O)CC1O Amb25090826 [0,0,0,1,0,0|2,0,1]=4 1478 B9R1.69 OC1COC(=O)CC1O Amb25057673 [0,0,0,1,0,0|1,0,1]=3 1479 B9R1.69 O[C@@H]1CNC(=O)C[C@@H]1O Amb24517387 [0,0,0,1,0,0|2,0,1]=4 1480 B9R1.69 O[C@H]1C=CC(=O)C[C@H]1O Amb24583497 [0,0,0,1,0,0|2,0,1]=4 1481 B9R1.69 O[C@H]1CNC(=O)C(O)C1 Amb24382736 [0,0,0,1,0,0|2,0,1]=4 1482 B9R1.69 O[C@H]1CNC(=O)C[C@H]1O Amb25211306 [0,0,0,1,0,0|2,0,1]=4 1483 B9R1.112 NC(CC1CO1)C(O)=O Amb25800055 [0,0,0,1,0,0|2,0,1]=4 1484 B9R1.112 N[C@@H](CC1CO1)C(O)=O Amb25709170 [0,0,0,1,0,0|2,0,1]=4 1485 B9R1.112 OC(CC1CC1)C(O)=O Amb25082516 [0,0,0,1,0,0|2,0,1]=4 1486 B9R1.112 O[C@@H](CC1CC1)C(O)=O Amb23401512 [0,0,0,1,0,0|2,0,1]=4 1487 B9R1.137 OC(C1CC1)CC(=O)O Amb17231863 [0,0,0,1,0,0|2,0,1]=4 1488 B9R1.137 OC(CC(O)=O)C1CO1 Amb25854287 [0,0,0,1,0,0|1,0,1]=3 1489 B9R1.137 O[C@H](CC(O)=O)C1CC1 Amb25367343 [0,0,0,1,0,0|2,0,1]=4 1490 B9R1.137 [O-]C(=O)C[C@@H](O)[C@H]1CO1 Amb25302277 [0,0,0,1,0,0|1,0,2]=4 1491 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [0,0,0,1,0,0|2,0,0]=3 1492 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [0,0,0,1,0,0|2,0,0]=3 1493 B9R1.152 CC1CC(O)(C1)C(O)=O Amb24522784 [0,0,0,1,0,0|2,0,1]=4 1494 B9R1.152 N[C@]1(C[C@@H](O)C1)C(O)=O Amb25297893 [0,0,0,1,0,0|2,0,1]=4 1495 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [0,0,0,1,0,0|3,0,0]=4 1496 B9R1.161 CC(=O)C1C[C@H]1C(C)=O Amb25319021 [0,0,0,1,0,0|3,0,0]=4 1497 B9R1.161 CC(=O)C1OC1C(C)=C Amb24520738 [0,0,0,1,0,0|3,0,0]=4 1498 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [0,0,0,1,0,0|1,0,0]=2 1499 B9R1.161 CC(=O)[C@H]1O[C@H]1C(C)=C Amb25163815 [0,0,0,1,0,0|3,0,0]=4 1500 B9R1.161 CC(C)[C@@H]1O[C@@H]1C(O)=O Amb24546994 [0,0,0,1,0,0|2,0,1]=4 1501 B9R1.161 CC(C)[C@H]1O[C@@H]1C(O)=O Amb25229035 [0,0,0,1,0,0|2,0,1]=4 1502 B9R1.161 CC(O)C1OC1C(O)=O Amb25227852 [0,0,0,1,0,0|1,0,1]=3 1503 B9R1.161 C[C@@H](O)[C@H]1O[C@@H]1C(O)=O Amb25224671 [0,0,0,1,0,0|1,0,1]=3 1504 B9R1.161 C[C@H](O)[C@@H]1O[C@@H]1C(O)=O Amb25368573 [0,0,0,1,0,0|1,0,1]=3 1505 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [0,0,0,1,0,0|2,0,0]=3 1506 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [0,0,0,1,0,0|1,0,0]=2 1507 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [0,0,0,1,0,0|2,0,0]=3 1508 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(N)=O Amb25273795 [0,0,0,1,0,0|3,0,0]=4 1509 B9R1.161 NC(=O)[C@H]1C[C@@H]1C(N)=O Amb24760759 [0,0,0,1,0,0|3,0,0]=4 1510 B9R1.161 NC(=O)[C@H]1C[C@H]1C(N)=O Amb24671257 [0,0,0,1,0,0|3,0,0]=4 1511 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [0,0,0,1,0,0|1,0,0]=2 1512 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [0,0,0,1,0,0|2,0,0]=3 1513 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [0,0,0,1,0,0|1,0,0]=2 1514 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [0,0,0,1,0,0|2,0,0]=3 1515 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [0,0,0,1,0,0|2,0,0]=3 1516 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [0,0,0,1,0,0|1,0,0]=2 1517 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [0,0,0,1,0,0|0,0,0]=1 1518 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [0,0,0,1,0,0|0,0,0]=1 1519 B9R1.161 [O-]C(=O)[C@@H]1N[C@H]1C([O-])=O Amb24120358 [0,0,0,1,0,0|1,0,2]=4 1520 B9R1.161 [O-]C(=O)[C@@H]1O[C@@H]1C(=O)[O-] Amb17608755 [0,0,0,1,0,0|0,0,2]=3 1521 B9R1.161 [O-][N+](=O)[C@@H]1C[C@H]1C(O)=O Amb25109456 [0,0,0,1,0,0|2,0,1]=4 1522 B9R1.161 [O-][N+](=O)[C@H]1C[C@H]1C(O)=O Amb25755764 [0,0,0,1,0,0|2,0,1]=4 1523 B9R1.164 CC1(O)CC(C1)C(O)=O Amb19958862 [0,0,0,1,0,0|2,0,1]=4 1524 B9R1.164 C[C@@]1(O)C[C@@H](C1)C(O)=O Amb23440037 [0,0,0,1,0,0|2,0,1]=4 1525 B9R1.164 C[C@@]1(O)C[C@H](C1)C(O)=O Amb23440038 [0,0,0,1,0,0|2,0,1]=4 1526 B9R1.170 CC1(C)O[C@H]1CC(O)=O Amb25719083 [0,0,0,1,0,0|2,0,1]=4 1527 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [0,0,0,0,1,0|1,0,0]=2 1528 B7R0.16 C=C(Br)C(O)C(O)=O Amb24692957 [0,0,0,0,1,0|2,0,0]=3 1529 B7R0.16 C=C(Br)[C@H](N)C(O)=O Amb24383876 [0,0,0,0,1,0|3,0,0]=4 1530 B7R0.16 C=C(C(O)=O)C(O)=O Amb24481368 [0,0,0,0,1,0|1,0,1]=3 1531 B7R0.16 C=C(Cl)C(N)C(O)=O Amb18643039 [0,0,0,0,1,0|3,0,0]=4 1532 B7R0.16 C=C(F)C(N)C(O)=O Amb18641967 [0,0,0,0,1,0|3,0,0]=4 1533 B7R0.16 CC(=C)C(C)C(O)=O Amb18641781 [0,0,0,0,1,0|3,0,0]=4 1534 B7R0.16 CC(=C)C(N)C(O)=O Amb18641831 [0,0,0,0,1,0|3,0,0]=4 1535 B7R0.16 CC(=C)[C@@H](C)C(O)=O Amb25355239 [0,0,0,0,1,0|3,0,0]=4 1536 B7R0.16 CC(=O)C(=O)C(O)=O Amb24101563 [0,0,0,0,1,0|1,0,2]=4 1537 B7R0.16 CC(=O)C(Br)C(C)=O Amb22000680 [0,0,0,0,1,0|3,0,0]=4 1538 B7R0.16 CC(=O)C(Br)C(N)=O Amb24483263 [0,0,0,0,1,0|3,0,0]=4 1539 B7R0.16 CC(=O)C(C)C(=O)S Amb25094430 [0,0,0,0,1,0|2,1,0]=4 1540 B7R0.16 CC(=O)C(Cl)C(N)=O Amb24056422 [0,0,0,0,1,0|3,0,0]=4 1541 B7R0.16 CC(=O)C(F)C(C)=O Amb19889779 [0,0,0,0,1,0|3,0,0]=4 1542 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,0,0,0,1,0|2,0,0]=3 1543 B7R0.16 CC(=O)C(O)C(C)=C Amb24614054 [0,0,0,0,1,0|3,0,0]=4 1544 B7R0.16 CC(=O)N(O)C(C)=O Amb22750106 [0,0,0,0,1,0|3,0,0]=4 1545 B7R0.16 CC(C(=C)Br)C(O)=O Amb24483212 [0,0,0,0,1,0|3,0,0]=4 1546 B7R0.16 CC(C(=O)C)C(=O)C Amb1152249 [0,0,0,0,1,0|3,0,0]=4 1547 B7R0.16 CC(C(=O)Cl)C(=O)Cl Amb22232260 [0,0,0,0,1,0|3,0,0]=4 1548 B7R0.16 CC(C(=O)N)C(=O)C Amb10552518 [0,0,0,0,1,0|3,0,0]=4 1549 B7R0.16 CC(C(=O)O)C(=O)C Amb10601660 [0,0,0,0,1,0|2,0,0]=3 1550 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [0,0,0,0,1,0|2,0,1]=4 1551 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [0,0,0,0,1,0|2,0,1]=4 1552 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [0,0,0,0,1,0|2,0,1]=4 1553 B7R0.16 CC(C(N)=S)C(O)=O Amb24745670 [0,0,0,0,1,0|2,1,0]=4 1554 B7R0.16 CC(C(O)=O)N(C)O Amb24714002 [0,0,0,0,1,0|3,0,0]=4 1555 B7R0.16 CC(C(O)=O)S(C)=O Amb18950743 [0,0,0,0,1,0|3,0,0]=4 1556 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [0,0,0,0,1,0|2,0,0]=3 1557 B7R0.16 CC(Cl)C(O)C(O)=O Amb25222028 [0,0,0,0,1,0|2,0,1]=4 1558 B7R0.16 CC(F)C(O)C(O)=O Amb24385715 [0,0,0,0,1,0|2,0,1]=4 1559 B7R0.16 CC(N)C(O)C(O)=O Amb18641970 [0,0,0,0,1,0|2,0,1]=4 1560 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [0,0,0,0,1,0|1,0,1]=3 1561 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [0,0,0,0,1,0|2,0,1]=4 1562 B7R0.16 C[C@@H](Cl)[C@@H](O)C(O)=O Amb24445574 [0,0,0,0,1,0|2,0,1]=4 1563 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [0,0,0,0,1,0|2,0,1]=4 1564 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [0,0,0,0,1,0|2,0,1]=4 1565 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [0,0,0,0,1,0|2,0,1]=4 1566 B7R0.16 C[C@@H](O)[C@@H](O)C(C)=O Amb24701454 [0,0,0,0,1,0|2,0,1]=4 1567 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [0,0,0,0,1,0|2,0,1]=4 1568 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [0,0,0,0,1,0|2,0,1]=4 1569 B7R0.16 C[C@@H](O)[C@H](O)C(C)=O Amb24481484 [0,0,0,0,1,0|2,0,1]=4 1570 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [0,0,0,0,1,0|2,0,1]=4 1571 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [0,0,0,0,1,0|2,0,1]=4 1572 B7R0.16 C[C@H](N)C(O)C(O)=O Amb24649032 [0,0,0,0,1,0|2,0,1]=4 1573 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb19929490 [0,0,0,0,1,0|2,0,1]=4 1574 B7R0.16 C[C@H](N)[C@H](O)C(O)=O Amb24407396 [0,0,0,0,1,0|2,0,1]=4 1575 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [0,0,0,0,1,0|2,0,1]=4 1576 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [0,0,0,0,1,0|1,0,1]=3 1577 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [0,0,0,0,1,0|2,0,1]=4 1578 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [0,0,0,0,1,0|2,0,1]=4 1579 B7R0.16 C\C(\O)=C(\N)/C(O)=O Amb25320750 [0,0,0,0,1,0|2,0,1]=4 1580 B7R0.16 N=C(C(O)=O)C(O)=O Amb24334530 [0,0,0,0,1,0|1,0,1]=3 1581 B7R0.16 NC(=O)C(=O)C(O)=O Amb25344375 [0,0,0,0,1,0|1,0,2]=4 1582 B7R0.16 NC(=O)C(Br)C(N)=O Amb23504430 [0,0,0,0,1,0|3,0,0]=4 1583 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,0,0,0,1,0|2,0,0]=3 1584 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,0,0,0,1,0|2,0,0]=3 1585 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,0,0,0,1,0|2,0,0]=3 1586 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,0,0,0,1,0|1,0,0]=2 1587 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,1,0|1,0,0]=2 1588 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [0,0,0,0,1,0|2,0,0]=3 1589 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [0,0,0,0,1,0|1,0,2]=4 1590 B7R0.16 O=C(Cl)C(Br)C(=O)Cl Amb24482983 [0,0,0,0,1,0|3,0,0]=4 1591 B7R0.16 OC(=O)C(=O)C(O)=O Amb18641943 [0,0,0,0,1,0|0,0,2]=3 1592 B7R0.16 OC(=O)C(=O)C(O)=O Amb22230802 [0,0,0,0,1,0|0,0,2]=3 1593 B7R0.16 OC(=O)C(=S)C(O)=O Amb24544781 [0,0,0,0,1,0|0,1,1]=3 1594 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [0,0,0,0,1,0|1,0,0]=2 1595 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [0,0,0,0,1,0|1,0,0]=2 1596 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [0,0,0,0,1,0|0,0,0]=1 1597 B7R0.16 OC(C(=O)O)C(C)C Amb2582547 [0,0,0,0,1,0|2,0,1]=4 1598 B7R0.16 OC(C(F)F)C(O)=O Amb25074883 [0,0,0,0,1,0|2,0,1]=4 1599 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [0,0,0,0,1,0|1,0,0]=2 1600 B7R0.16 O[C@@H](C(=O)O)C(C)C Amb10071589 [0,0,0,0,1,0|2,0,1]=4 1601 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [0,0,0,0,1,0|2,0,1]=4 1602 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [0,0,0,0,1,0|2,0,1]=4 1603 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,0,0,0,0,1|1,0,1]=3 1604 B9R0.7 CC(=C)C(O)C#CC(O)=O Amb24630527 [0,0,0,0,0,1|2,0,1]=4 1605 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,0,0,0,0,1|3,0,0]=4 1606 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,0,0,0,0,1|3,0,0]=4 1607 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,0,0,0,0,1|3,0,0]=4 1608 B9R0.7 CC(=C)COC(C)C(O)=O Amb24549744 [0,0,0,0,0,1|3,0,0]=4 1609 B9R0.7 CC(=C)CO[C@@H](C)C(O)=O Amb24505175 [0,0,0,0,0,1|3,0,0]=4 1610 B9R0.7 CC(=C)CO[C@H](C)C(O)=O Amb25772492 [0,0,0,0,0,1|3,0,0]=4 1611 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,0,0,0,0,1|3,0,0]=4 1612 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,0,0,0,0,1|1,0,2]=4 1613 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [0,0,0,0,0,1|2,0,0]=3 1614 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,1|3,0,0]=4 1615 B9R0.7 CC(=O)C(C)CNC(C)=O Amb24072033 [0,0,0,0,0,1|3,0,0]=4 1616 B9R0.7 CC(=O)C(C)SCC(C)=O Amb24482830 [0,0,0,0,0,1|3,0,0]=4 1617 B9R0.7 CC(=O)C(Cl)CCC(=O)Cl Amb24373858 [0,0,0,0,0,1|3,0,0]=4 1618 B9R0.7 CC(=O)C(F)COC(C)=O Amb25319947 [0,0,0,0,0,1|3,0,0]=4 1619 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,0,0,0,0,1|3,0,0]=4 1620 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,0,0,0,0,1|3,0,0]=4 1621 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,0,0,0,0,1|2,0,0]=3 1622 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,0,0,0,0,1|3,0,0]=4 1623 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,0,0,0,0,1|2,0,0]=3 1624 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,0,0,0,0,1|2,0,0]=3 1625 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,0,0,0,0,1|2,0,0]=3 1626 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,0,0,0,0,1|3,0,0]=4 1627 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,0,0,0,0,1|2,0,0]=3 1628 B9R0.7 CC(=O)CNC(=O)C(O)=O Amb24480846 [0,0,0,0,0,1|1,0,2]=4 1629 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,0,0,0,0,1|2,0,0]=3 1630 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,0,0,0,0,1|2,0,0]=3 1631 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,0,0,0,0,1|2,0,0]=3 1632 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,0,0,0,0,1|1,0,0]=2 1633 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,0,0,0,0,1|2,0,0]=3 1634 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,0,0,0,0,1|1,0,0]=2 1635 B9R0.7 CC(=O)NNC(C)C(O)=O Amb24679763 [0,0,0,0,0,1|3,0,0]=4 1636 B9R0.7 CC(=O)NN[C@@H](C)C(O)=O Amb24068257 [0,0,0,0,0,1|3,0,0]=4 1637 B9R0.7 CC(=O)OCC(=O)C(O)=O Amb24350556 [0,0,0,0,0,1|1,0,2]=4 1638 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,0,0,0,0,1|2,0,0]=3 1639 B9R0.7 CC(=O)OCC(C)C(N)=O Amb24356443 [0,0,0,0,0,1|3,0,0]=4 1640 B9R0.7 CC(=O)OCC(Cl)C(=O)Cl Amb24692678 [0,0,0,0,0,1|3,0,0]=4 1641 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,0,0,0,0,1|2,0,0]=3 1642 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,0,0,0,0,1|2,0,0]=3 1643 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,0,0,0,0,1|2,0,0]=3 1644 B9R0.7 CC(=O)OC[C@H](C)C(N)=O Amb25147342 [0,0,0,0,0,1|3,0,0]=4 1645 B9R0.7 CC(=O)ON[C@@H](C)C(O)=O Amb25096728 [0,0,0,0,0,1|3,0,0]=4 1646 B9R0.7 CC(=O)SCC(=C)C(O)=O Amb24482306 [0,0,0,0,0,1|2,0,1]=4 1647 B9R0.7 CC(=O)SCC(C(=O)Cl)C Amb16232721 [0,0,0,0,0,1|3,0,0]=4 1648 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,1|3,0,0]=4 1649 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,0,0,0,0,1|2,0,0]=3 1650 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,0,0,0,0,1|2,0,0]=3 1651 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,0,0,0,0,1|2,0,0]=3 1652 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,1|3,0,0]=4 1653 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,0,0,0,0,1|2,0,0]=3 1654 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,0,0,0,0,1|3,0,0]=4 1655 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,0,0,0,0,1|2,0,0]=3 1656 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,0,0,0,0,1|2,0,0]=3 1657 B9R0.7 CC(=O)[C@H](C)COC(C)=O Amb24457434 [0,0,0,0,0,1|3,0,0]=4 1658 B9R0.7 CC(C)=CCC(C)C(O)=O Amb18643879 [0,0,0,0,0,1|3,0,0]=4 1659 B9R0.7 CC(C)=CCC(F)C(O)=O Amb24480809 [0,0,0,0,0,1|3,0,0]=4 1660 B9R0.7 CC(C)=CCC(O)C(C)=O Amb24356685 [0,0,0,0,0,1|3,0,0]=4 1661 B9R0.7 CC(C)=CC[C@@H](C)C(O)=O Amb24698988 [0,0,0,0,0,1|3,0,0]=4 1662 B9R0.7 CC(C)=CC[C@@H](O)C(C)=O Amb24662470 [0,0,0,0,0,1|3,0,0]=4 1663 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,0,0,0,0,1|3,0,0]=4 1664 B9R0.7 CC(C)=CC[C@H](O)C(C)=O Amb24648883 [0,0,0,0,0,1|3,0,0]=4 1665 B9R0.7 CC(C)C(O)CCC(O)=O Amb25252592 [0,0,0,0,0,1|2,0,1]=4 1666 B9R0.7 CC(C)NC[C@H](O)C(O)=O Amb24479668 [0,0,0,0,0,1|2,0,1]=4 1667 B9R0.7 CC(C)OCC(O)C(O)=O Amb24583914 [0,0,0,0,0,1|2,0,1]=4 1668 B9R0.7 CC(C)OC[C@H](O)C(O)=O Amb24480796 [0,0,0,0,0,1|2,0,1]=4 1669 B9R0.7 CC(C)SCC(O)C(O)=O Amb24728812 [0,0,0,0,0,1|2,0,1]=4 1670 B9R0.7 CC(C)SC[C@H](O)C(O)=O Amb25362660 [0,0,0,0,0,1|2,0,1]=4 1671 B9R0.7 CC(CCC(O)=O)[N+]([O-])=O Amb25221792 [0,0,0,0,0,1|2,0,1]=4 1672 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,0,0,0,0,1|2,0,0]=3 1673 B9R0.7 CC(CSC(N)=S)C(O)=O Amb24509733 [0,0,0,0,0,1|2,1,0]=4 1674 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,0,0,0,0,1|3,0,0]=4 1675 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,0,0,0,0,1|3,0,0]=4 1676 B9R0.7 CC(Cl)C(O)CCC(O)=O Amb24677604 [0,0,0,0,0,1|2,0,1]=4 1677 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,0,0,0,0,1|3,0,0]=4 1678 B9R0.7 CC(F)C(O)CCC(O)=O Amb25831840 [0,0,0,0,0,1|2,0,1]=4 1679 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,0,0,0,0,1|1,0,1]=3 1680 B9R0.7 CC(NCC(=C)Br)C(O)=O Amb18303282 [0,0,0,0,0,1|3,0,0]=4 1681 B9R0.7 CC(O)C(C)OCC(O)=O Amb25185257 [0,0,0,0,0,1|2,0,1]=4 1682 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [0,0,0,0,0,1|1,0,1]=3 1683 B9R0.7 CC(O)C(O)\C=C\C(O)=O Amb24470539 [0,0,0,0,0,1|1,0,2]=4 1684 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,0,0,0,0,1|2,0,1]=4 1685 B9R0.7 CC(O)CNC(C)C(O)=O Amb18523859 [0,0,0,0,0,1|2,0,1]=4 1686 B9R0.7 CC(O)CN[C@@H](C)C(O)=O Amb25129862 [0,0,0,0,0,1|2,0,1]=4 1687 B9R0.7 CC(O)COC(C)C(O)=O Amb25146942 [0,0,0,0,0,1|2,0,1]=4 1688 B9R0.7 CC(O)CSC(C)C(O)=O Amb18303285 [0,0,0,0,0,1|2,0,1]=4 1689 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,0,0,0,0,1|2,0,1]=4 1690 B9R0.7 CC(OCC(N)=O)C(N)=O Amb25727276 [0,0,0,0,0,1|3,0,0]=4 1691 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,0,0,0,0,1|2,0,0]=3 1692 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,0,0,0,0,1|1,0,0]=2 1693 B9R0.7 CC(SCC(=C)Br)C(O)=O Amb19005210 [0,0,0,0,0,1|3,0,0]=4 1694 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,0,0,0,0,1|2,0,1]=4 1695 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,0,0,0,0,1|1,0,1]=3 1696 B9R0.7 CN(C)NCC(O)C(O)=O Amb24683018 [0,0,0,0,0,1|3,0,0]=4 1697 B9R0.7 CN(CCC(O)=O)C(N)=O Amb18984979 [0,0,0,0,0,1|3,0,0]=4 1698 B9R0.7 CP(=O)OCC(N)C(O)=O Amb24724745 [0,0,0,0,0,1|3,0,0]=4 1699 B9R0.7 CP(=O)OC[C@H](N)C(O)=O Amb25362185 [0,0,0,0,0,1|3,0,0]=4 1700 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,0,0,0,0,1|3,0,0]=4 1701 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,0,0,0,0,1|3,0,0]=4 1702 B9R0.7 CS(=O)NCC(O)C(N)=O Amb24738313 [0,0,0,0,0,1|3,0,0]=4 1703 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [0,0,0,0,0,1|2,0,0]=3 1704 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,0,0,0,0,1|3,0,0]=4 1705 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,0,0,0,0,1|1,0,0]=2 1706 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,0,0,0,0,1|2,0,1]=4 1707 B9R0.7 C[C@@H](NCC(=C)Br)C(O)=O Amb24441867 [0,0,0,0,0,1|3,0,0]=4 1708 B9R0.7 C[C@@H](NCC(=C)Cl)C(O)=O Amb25085078 [0,0,0,0,0,1|3,0,0]=4 1709 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,0,0,0,0,1|2,0,0]=3 1710 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,0,0,0,0,1|1,0,0]=2 1711 B9R0.7 C[C@@H](O)[C@H](C)SCC(O)=O Amb25774489 [0,0,0,0,0,1|2,0,1]=4 1712 B9R0.7 C[C@@H](OCC(=C)Br)C(O)=O Amb25061755 [0,0,0,0,0,1|3,0,0]=4 1713 B9R0.7 C[C@@H](OCC(=C)Cl)C(O)=O Amb25146946 [0,0,0,0,0,1|3,0,0]=4 1714 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,0,0,0,0,1|1,0,0]=2 1715 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,0,0,0,0,1|1,0,0]=2 1716 B9R0.7 C[C@H](NCC(=C)Cl)C(O)=O Amb25135747 [0,0,0,0,0,1|3,0,0]=4 1717 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,0,0,0,0,1|2,0,0]=3 1718 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,0,0,0,0,1|1,0,0]=2 1719 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,0,0,0,0,1|2,0,1]=4 1720 B9R0.7 C[C@H](O)[C@H](C)CCC(O)=O Amb25340448 [0,0,0,0,0,1|2,0,1]=4 1721 B9R0.7 C[C@H](O)[C@H](O)CCC(N)=O Amb25138530 [0,0,0,0,0,1|2,0,1]=4 1722 B9R0.7 C[C@H](OCC(=C)Br)C(O)=O Amb24471685 [0,0,0,0,0,1|3,0,0]=4 1723 B9R0.7 C[C@H](OCC(=C)Cl)C(O)=O Amb25146948 [0,0,0,0,0,1|3,0,0]=4 1724 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,0,0,0,0,1|1,0,0]=2 1725 B9R0.7 C\C(=C\CC(C(=O)O)Cl)\Cl Amb17594711 [0,0,0,0,0,1|3,0,0]=4 1726 B9R0.7 C\C(\Cl)=C\CC(C)C(O)=O Amb18126350 [0,0,0,0,0,1|3,0,0]=4 1727 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,0,0,0,0,1|3,0,0]=4 1728 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,0,0,0,0,1|3,0,0]=4 1729 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,0,0,0,0,1|1,0,1]=3 1730 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,0,0,0,0,1|3,0,0]=4 1731 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,0,0,0,0,1|3,0,0]=4 1732 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [0,0,0,0,0,1|2,0,0]=3 1733 B9R0.7 NC(=N)SCC(Br)C(O)=O Amb24648298 [0,0,0,0,0,1|3,0,0]=4 1734 B9R0.7 NC(=N)SCC(Cl)C(O)=O Amb25258351 [0,0,0,0,0,1|3,0,0]=4 1735 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,0,0,0,0,1|1,0,2]=4 1736 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,0,0,0,0,1|2,0,0]=3 1737 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,0,0,0,0,1|2,0,0]=3 1738 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,0,0,0,0,1|1,0,0]=2 1739 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,0,0,0,0,1|2,0,0]=3 1740 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,1|3,0,0]=4 1741 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,0,0,0,0,1|2,0,0]=3 1742 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,1|3,0,0]=4 1743 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [0,0,0,0,0,1|2,0,0]=3 1744 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [0,0,0,0,0,1|2,0,0]=3 1745 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,0,0,0,0,1|2,0,0]=3 1746 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [0,0,0,0,0,1|2,0,0]=3 1747 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,0,0,0,0,1|2,0,0]=3 1748 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [0,0,0,0,0,1|2,0,0]=3 1749 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,0,0,0,0,1|2,0,0]=3 1750 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,0,0,0,0,1|2,0,0]=3 1751 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,0,0,0,0,1|2,0,0]=3 1752 B9R0.7 NC(=O)[C@@H](N)CNC(N)=O Amb25147441 [0,0,0,0,0,1|3,0,0]=4 1753 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,0,0,0,0,1|2,0,0]=3 1754 B9R0.7 NC(=O)[C@H](N)CNC(N)=O Amb24548243 [0,0,0,0,0,1|3,0,0]=4 1755 B9R0.7 NC(=S)CSC(C(=O)O)C Amb17503393 [0,0,0,0,0,1|2,1,0]=4 1756 B9R0.7 NC(=[NH2+])SCC(Cl)C(O)=O Amb22054310 [0,0,0,0,0,1|3,0,0]=4 1757 B9R0.7 NC(CCB(O)O)C(O)=O Amb22497480 [0,0,0,0,0,1|2,0,1]=4 1758 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,0,0,0,0,1|2,0,0]=3 1759 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,0,0,0,0,1|3,0,0]=4 1760 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,0,0,0,0,1|2,0,0]=3 1761 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,0,0,0,0,1|1,0,0]=2 1762 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,0,0,0,0,1|1,0,0]=2 1763 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,0,0,0,0,1|2,0,0]=3 1764 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,0,0,0,0,1|1,0,0]=2 1765 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,0,0,0,0,1|1,1,0]=3 1766 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,0,0,0,0,1|1,0,2]=4 1767 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,0,0,0,0,1|2,0,0]=3 1768 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,0,0,0,0,1|2,0,0]=3 1769 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,0,0,0,0,1|1,0,0]=2 1770 B9R0.7 NC(COS(=O)F)C(O)=O Amb24681444 [0,0,0,0,0,1|3,0,0]=4 1771 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,0,0,0,0,1|2,0,0]=3 1772 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,0,0,0,0,1|2,0,0]=3 1773 B9R0.7 N[C@@H](CC=C(F)F)C(O)=O Amb25844566 [0,0,0,0,0,1|3,0,0]=4 1774 B9R0.7 N[C@@H](CC=S(=O)=O)C(O)=O Amb24390366 [0,0,0,0,0,1|2,0,1]=4 1775 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,0,0,0,0,1|2,0,0]=3 1776 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,0,0,0,0,1|3,0,0]=4 1777 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,0,0,0,0,1|2,0,0]=3 1778 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,0,0,0,0,1|1,0,1]=3 1779 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,0,0,0,0,1|1,0,0]=2 1780 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,0,0,0,0,1|1,1,0]=3 1781 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,0,0,0,0,1|1,0,1]=3 1782 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,0,0,0,0,1|1,0,1]=3 1783 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,0,0,0,0,1|1,0,1]=3 1784 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,0,0,0,0,1|1,0,1]=3 1785 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,0,0,0,0,1|1,0,2]=4 1786 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,0,0,0,0,1|2,0,0]=3 1787 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,0,0,0,0,1|2,0,1]=4 1788 B9R0.7 N[C@@H](CN[N+]([O-])=O)C(O)=O Amb24704075 [0,0,0,0,0,1|2,0,1]=4 1789 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,0,0,0,0,1|1,0,0]=2 1790 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,0,0,0,0,1|2,0,0]=3 1791 B9R0.7 O=C(Cl)CCC(Cl)C(=O)Cl Amb25759080 [0,0,0,0,0,1|3,0,0]=4 1792 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,0,0,0,0,1|0,1,1]=3 1793 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,0,0,0,0,1|1,0,0]=2 1794 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,0,0,0,0,1|0,0,0]=1 1795 B9R0.7 OC(=O)C=C=C(C(=O)O)C Amb17593578 [0,0,0,0,0,1|1,0,2]=4 1796 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,1|0,0,2]=3 1797 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,0,0,0,0,1|0,0,3]=4 1798 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,0,0,0,0,1|0,0,2]=3 1799 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,0,0,0,0,1|0,0,2]=3 1800 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,0,0,0,0,1|0,0,2]=3 1801 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,0,0,0,0,1|0,0,2]=3 1802 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,0,0,0,0,1|1,0,0]=2 1803 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,0,0,0,0,1|1,0,0]=2 1804 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,0,0,0,0,1|1,0,0]=2 1805 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,0,0,0,0,1|0,0,0]=1 1806 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,0,0,0,0,1|0,0,0]=1 1807 B9R0.7 OC(=O)CNC(=O)C(=O)C Amb17593639 [0,0,0,0,0,1|1,0,2]=4 1808 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,1|0,0,2]=3 1809 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,0,0,0,0,1|1,0,0]=2 1810 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,0,0,0,0,1|1,0,1]=3 1811 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,0,0,0,0,1|0,0,1]=2 1812 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,0,0,0,0,1|2,0,0]=3 1813 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,0,0,0,0,1|2,0,0]=3 1814 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,0,0,0,0,1|1,0,0]=2 1815 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,0,0,0,0,1|1,0,0]=2 1816 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,0,0,0,0,1|2,0,0]=3 1817 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,0,0,0,0,1|0,0,3]=4 1818 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,0,0,0,0,1|0,0,3]=4 1819 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [0,0,0,0,0,1|0,0,2]=3 1820 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [0,0,0,0,0,1|0,0,2]=3 1821 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [0,0,0,0,0,1|0,0,2]=3 1822 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,0,0,0,0,1|2,0,1]=4 1823 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [0,0,0,0,0,1|1,0,1]=3 1824 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [0,0,0,0,0,1|3,0,0]=4 1825 B9R0.53 CC(=O)C=C(O)CC(C)=O Amb24609551 [0,0,0,0,0,1|2,0,1]=4 1826 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [0,0,0,0,0,1|1,0,2]=4 1827 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [0,0,0,0,0,1|2,0,0]=3 1828 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [0,0,0,0,0,1|2,0,0]=3 1829 B9R0.53 CC(=O)C[C@H](O)CC(C)=C Amb25318972 [0,0,0,0,0,1|3,0,0]=4 1830 B9R0.53 CC(=O)C\C(\C)=C\C(O)=O Amb25833580 [0,0,0,0,0,1|2,0,1]=4 1831 B9R0.53 CC(=O)NC(=O)CC(O)=O Amb24671240 [0,0,0,0,0,1|1,0,2]=4 1832 B9R0.53 CC(=O)NC(C)CC(C)=O Amb24096345 [0,0,0,0,0,1|3,0,0]=4 1833 B9R0.53 CC(=O)NN(C)CC(O)=O Amb24430379 [0,0,0,0,0,1|3,0,0]=4 1834 B9R0.53 CC(=O)N[C@H](C)CC(C)=O Amb24478882 [0,0,0,0,0,1|3,0,0]=4 1835 B9R0.53 CC(=O)OC(C)CC(C)=O Amb25690313 [0,0,0,0,0,1|3,0,0]=4 1836 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [0,0,0,0,0,1|2,0,0]=3 1837 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [0,0,0,0,0,1|2,0,0]=3 1838 B9R0.53 CC(=O)\C=C(/C)\CC(O)=O Amb25838743 [0,0,0,0,0,1|2,0,1]=4 1839 B9R0.53 CC(=O)\C=C(\C)/CC(O)=O Amb24446679 [0,0,0,0,0,1|2,0,1]=4 1840 B9R0.53 CC(C)=CC(C)CC(O)=O Amb24480766 [0,0,0,0,0,1|3,0,0]=4 1841 B9R0.53 CC(C)=CC(O)CC(O)=O Amb18644102 [0,0,0,0,0,1|2,0,0]=3 1842 B9R0.53 CC(C)=C[C@@H](O)CC(O)=O Amb24393168 [0,0,0,0,0,1|2,0,0]=3 1843 B9R0.53 CC(C)C[C@H](O)CC(O)=O Amb24505145 [0,0,0,0,0,1|2,0,1]=4 1844 B9R0.53 CC(CC(CC(=O)O)O)C Amb17232005 [0,0,0,0,0,1|2,0,1]=4 1845 B9R0.53 CC(CC(N)=O)NC(N)=O Amb25365692 [0,0,0,0,0,1|3,0,0]=4 1846 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [0,0,0,0,0,1|1,0,1]=3 1847 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [0,0,0,0,0,1|2,0,0]=3 1848 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [0,0,0,0,0,1|2,0,1]=4 1849 B9R0.53 CC(CC(O)=O)NC(N)=N Amb25696242 [0,0,0,0,0,1|3,0,0]=4 1850 B9R0.53 CC(CC(O)=O)NS(C)=O Amb25347318 [0,0,0,0,0,1|3,0,0]=4 1851 B9R0.53 CC(CC(O)=O)SC(N)=N Amb24429158 [0,0,0,0,0,1|3,0,0]=4 1852 B9R0.53 CC(CC(O)=O)SC(N)=S Amb24391550 [0,0,0,0,0,1|2,1,0]=4 1853 B9R0.53 CN(C)C[C@@H](O)CC(O)=O Amb25084529 [0,0,0,0,0,1|3,0,0]=4 1854 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [0,0,0,0,0,1|2,0,0]=3 1855 B9R0.53 CN(C[C@@H](CC(=O)O)O)C Amb10069803 [0,0,0,0,0,1|3,0,0]=4 1856 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [0,0,0,0,0,1|2,0,0]=3 1857 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [0,0,0,0,0,1|3,0,0]=4 1858 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [0,0,0,0,0,1|3,0,0]=4 1859 B9R0.53 C\C(\O)=C\C(\O)=C/C(O)=O Amb22730578 [0,0,0,0,0,1|1,0,2]=4 1860 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [0,0,0,0,0,1|1,0,1]=3 1861 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [0,0,0,0,0,1|1,0,0]=2 1862 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [0,0,0,0,0,1|2,0,1]=4 1863 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [0,0,0,0,0,1|1,0,0]=2 1864 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [0,0,0,0,0,1|1,0,1]=3 1865 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [0,0,0,0,0,1|1,0,0]=2 1866 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [0,0,0,0,0,1|2,0,0]=3 1867 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [0,0,0,0,0,1|2,0,0]=3 1868 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [0,0,0,0,0,1|2,0,0]=3 1869 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [0,0,0,0,0,1|2,0,0]=3 1870 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [0,0,0,0,0,1|1,0,1]=3 1871 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [0,0,0,0,0,1|0,0,0]=1 1872 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [0,0,0,0,0,1|1,0,0]=2 1873 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [0,0,0,0,0,1|2,0,0]=3 1874 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [0,0,0,0,0,1|2,0,0]=3 1875 B6R0.1 C=CC(Cl)CC=O Amb24595013 [2,0,0,0,0,0|2,0,0]=4 1876 B6R0.1 C=CCC(Br)C=O Amb18645751 [2,0,0,0,0,0|2,0,0]=4 1877 B6R0.1 C=CCC(I)C=O Amb25231227 [2,0,0,0,0,0|2,0,0]=4 1878 B6R0.1 C=CCC(O)C=O Amb25356720 [2,0,0,0,0,0|1,0,0]=3 1879 B6R0.1 C=CC[C@@H](F)C=O Amb25205853 [2,0,0,0,0,0|2,0,0]=4 1880 B6R0.1 C=CC[C@H](O)C=O Amb25813766 [2,0,0,0,0,0|1,0,0]=3 1881 B6R0.1 CC(CC=O)C=C Amb18120863 [2,0,0,0,0,0|2,0,0]=4 1882 B6R0.1 CC(CC=O)C=O Amb18121376 [2,0,0,0,0,0|1,0,0]=3 1883 B6R0.1 CC(CO)CC=O Amb18639949 [2,0,0,0,0,0|1,0,1]=4 1884 B6R0.1 CCCC(O)C=O Amb24531721 [2,0,0,0,0,0|1,0,1]=4 1885 B6R0.1 COCC(O)C=O Amb18122318 [2,0,0,0,0,0|2,0,0]=4 1886 B6R0.1 C[C@@H](CC=O)C=C Amb25746367 [2,0,0,0,0,0|2,0,0]=4 1887 B6R0.1 N#CC[C@@H](O)C=O Amb24633646 [2,0,0,0,0,0|1,0,1]=4 1888 B6R0.1 N#CC[C@H](O)C=O Amb24452217 [2,0,0,0,0,0|1,0,1]=4 1889 B6R0.1 NC(CCO)C=O Amb25259176 [2,0,0,0,0,0|1,0,1]=4 1890 B6R0.1 NCCC(O)C=O Amb25682881 [2,0,0,0,0,0|1,0,1]=4 1891 B6R0.1 O=CC(S)CC=O Amb25768520 [2,0,0,0,0,0|0,1,0]=3 1892 B6R0.1 OCC(O)CC=O Amb25243032 [2,0,0,0,0,0|0,0,1]=3 1893 B6R0.1 OCC(O)CNO Amb25026456 [2,0,0,0,0,0|1,0,1]=4 1894 B6R0.1 OCC[C@@H](O)C=O Amb24741761 [2,0,0,0,0,0|0,0,1]=3 1895 B6R0.1 OCC[C@H](CO)O Amb10071064 [2,0,0,0,0,0|0,0,2]=4 1896 B6R0.1 OC[C@H](O)CC=O Amb24595645 [2,0,0,0,0,0|0,0,1]=3 1897 B6R0.1 O[C@@H](CC=O)C=O Amb25169555 [2,0,0,0,0,0|0,0,0]=2 1898 B6R0.1 O[C@@H](CCl)CC=O Amb25824190 [2,0,0,0,0,0|1,0,1]=4 1899 B6R0.1 O[C@H](CC=O)C=O Amb25373324 [2,0,0,0,0,0|0,0,0]=2 1900 B6R0.2 C=C(Br)CC(O)=O Amb24479176 [2,0,0,0,0,0|1,0,1]=4 1901 B6R0.2 CC(=O)CC(O)=O Amb22348460 [2,0,0,0,0,0|1,0,1]=4 1902 B6R0.2 CC(=O)CC(O)O Amb25273111 [2,0,0,0,0,0|1,0,0]=3 1903 B6R0.2 CC(C)C[13C](O)=O Amb22336513 [2,0,0,0,0,0|1,0,1]=4 1904 B6R0.2 CC(CC(=O)C)O Amb17593091 [2,0,0,0,0,0|1,0,1]=4 1905 B6R0.2 CC(F)CC(O)=O Amb24561809 [2,0,0,0,0,0|1,0,1]=4 1906 B6R0.2 CC(N)CC(O)=O Amb19888354 [2,0,0,0,0,0|1,0,1]=4 1907 B6R0.2 CC(O)=CC(O)O Amb24431523 [2,0,0,0,0,0|1,0,1]=4 1908 B6R0.2 CC(O)CC(O)=O Amb22348403 [2,0,0,0,0,0|0,0,1]=3 1909 B6R0.2 CC(O)CC(O)O Amb25716084 [2,0,0,0,0,0|1,0,1]=4 1910 B6R0.2 CC(O)CP(O)=O Amb24406357 [2,0,0,0,0,0|1,0,1]=4 1911 B6R0.2 CC(S)CC(O)=O Amb18281031 [2,0,0,0,0,0|0,1,1]=4 1912 B6R0.2 CN(O)CC(O)=O Amb24732008 [2,0,0,0,0,0|1,0,1]=4 1913 B6R0.2 CS(=O)CC(O)=O Amb18957960 [2,0,0,0,0,0|2,0,0]=4 1914 B6R0.2 C[13CH](O)C[13C]([O-])=O Amb22338641 [2,0,0,0,0,0|0,0,2]=4 1915 B6R0.2 C[C@@H](CC(=O)O)N Amb16184012 [2,0,0,0,0,0|1,0,1]=4 1916 B6R0.2 C[C@@H](O)CC(N)=O Amb25746564 [2,0,0,0,0,0|1,0,1]=4 1917 B6R0.2 C[C@@H](S)CC(O)=O Amb24480921 [2,0,0,0,0,0|0,1,1]=4 1918 B6R0.2 C[C@H](Br)CC(O)=O Amb24432019 [2,0,0,0,0,0|1,0,1]=4 1919 B6R0.2 C[C@H](CC(=O)O)N Amb16184009 [2,0,0,0,0,0|1,0,1]=4 1920 B6R0.2 C[C@H](Cl)CC(O)=O Amb25259323 [2,0,0,0,0,0|1,0,1]=4 1921 B6R0.2 C[C@H](F)CC(O)=O Amb24586490 [2,0,0,0,0,0|1,0,1]=4 1922 B6R0.2 C[C@H](O)CC(C)=O Amb24334071 [2,0,0,0,0,0|1,0,1]=4 1923 B6R0.2 C[C@H](O)CC(O)=O Amb22232025 [2,0,0,0,0,0|0,0,1]=3 1924 B6R0.2 C[C@H](S)CC(O)=O Amb25190038 [2,0,0,0,0,0|0,1,1]=4 1925 B6R0.2 NC(=O)CC(O)O Amb25810087 [2,0,0,0,0,0|1,0,0]=3 1926 B6R0.2 NC(F)CC(O)=O Amb24479804 [2,0,0,0,0,0|2,0,0]=4 1927 B6R0.2 N[C@@H](CC(=O)O)O Amb16232006 [2,0,0,0,0,0|1,0,0]=3 1928 B6R0.2 N[C@@H](F)CC(O)=O Amb25854307 [2,0,0,0,0,0|2,0,0]=4 1929 B6R0.2 OB(O)CC(O)=O Amb24053058 [2,0,0,0,0,0|1,0,0]=3 1930 B6R0.2 OC(=O)CC(F)Br Amb25336987 [2,0,0,0,0,0|2,0,0]=4 1931 B6R0.2 OC(=O)CC(F)F Amb22001551 [2,0,0,0,0,0|2,0,0]=4 1932 B6R0.2 OC(=O)CC(O)=O Amb21935659 [2,0,0,0,0,0|0,0,1]=3 1933 B6R0.2 OC(=O)CC(O)=O Amb22230690 [2,0,0,0,0,0|0,0,1]=3 1934 B6R0.2 OC(=O)CC(O)=O Amb22230927 [2,0,0,0,0,0|0,0,1]=3 1935 B6R0.2 OC(=O)[13CH2]C(O)=O Amb22337806 [2,0,0,0,0,0|0,0,1]=3 1936 B6R0.2 O[13C](=O)C[13C](O)=O Amb22353218 [2,0,0,0,0,0|0,0,1]=3 1937 B6R0.2 O[13C](=O)[13CH2][13C](O)=O Amb22363192 [2,0,0,0,0,0|0,0,1]=3 1938 B6R0.2 O[14C](=O)O[14C](O)=O Amb22362831 [2,0,0,0,0,0|1,0,1]=4 1939 B6R0.2 [13CH3]C(O)[13CH2]C([O-])=O Amb22351144 [2,0,0,0,0,0|0,0,2]=4 1940 B6R0.2 [O-]C(=O)C[C@@H](O)C Amb10844672 [2,0,0,0,0,0|0,0,2]=4 1941 B6R0.4 C=C(Br)CCC=O Amb18645745 [2,0,0,0,0,0|2,0,0]=4 1942 B6R0.4 C=C(Cl)CCC=O Amb24525208 [2,0,0,0,0,0|2,0,0]=4 1943 B6R0.4 C=NCCC(O)=O Amb24480865 [2,0,0,0,0,0|2,0,0]=4 1944 B6R0.4 CC(=C)CCC=O Amb18120891 [2,0,0,0,0,0|2,0,0]=4 1945 B6R0.4 CC(=O)CCC=O Amb18639597 [2,0,0,0,0,0|1,0,0]=3 1946 B6R0.4 CC(=O)CCC=S Amb25662155 [2,0,0,0,0,0|1,1,0]=4 1947 B6R0.4 CC(=O)CNC=O Amb23442787 [2,0,0,0,0,0|2,0,0]=4 1948 B6R0.4 CC(=O)COC=O Amb24736861 [2,0,0,0,0,0|2,0,0]=4 1949 B6R0.4 CC(=O)NCC=O Amb25757509 [2,0,0,0,0,0|2,0,0]=4 1950 B6R0.4 CCCC[13C](O)=O Amb22367454 [2,0,0,0,0,0|1,0,1]=4 1951 B6R0.4 CNCCC(=O)O Amb10609760 [2,0,0,0,0,0|2,0,0]=4 1952 B6R0.4 C\C=C/CC(O)=O Amb25692581 [2,0,0,0,0,0|1,0,1]=4 1953 B6R0.4 C\C=N\CC(O)=O Amb24618330 [2,0,0,0,0,0|2,0,0]=4 1954 B6R0.4 FCCCC(=O)O Amb17593104 [2,0,0,0,0,0|1,0,1]=4 1955 B6R0.4 N=CNCC(O)=O Amb24670244 [2,0,0,0,0,0|2,0,0]=4 1956 B6R0.4 NC(=O)CCCO Amb20623438 [2,0,0,0,0,0|1,0,1]=4 1957 B6R0.4 NC(=O)CNC=O Amb25770889 [2,0,0,0,0,0|2,0,0]=4 1958 B6R0.4 NC(=O)OCC=O Amb24446581 [2,0,0,0,0,0|2,0,0]=4 1959 B6R0.4 NCCCC(=O)O Amb1935210 [2,0,0,0,0,0|1,0,1]=4 1960 B6R0.4 NOCCC(=O)O Amb17569891 [2,0,0,0,0,0|2,0,0]=4 1961 B6R0.4 O=CCCC(O)C Amb17593090 [2,0,0,0,0,0|1,0,1]=4 1962 B6R0.4 O=CCOC(=O)C Amb10070247 [2,0,0,0,0,0|2,0,0]=4 1963 B6R0.4 O=CNCC(=O)O Amb1911508 [2,0,0,0,0,0|1,0,0]=3 1964 B6R0.4 OC(=O)CCC=O Amb17673897 [2,0,0,0,0,0|0,0,0]=2 1965 B6R0.4 OC(=O)CCCI Amb22295911 [2,0,0,0,0,0|1,0,1]=4 1966 B6R0.4 OC(=O)CCCP Amb24717184 [2,0,0,0,0,0|1,0,1]=4 1967 B6R0.4 OC(=O)CCNCl Amb24437846 [2,0,0,0,0,0|2,0,0]=4 1968 B6R0.4 OC(=O)CSN=O Amb24368923 [2,0,0,0,0,0|2,0,0]=4 1969 B6R0.4 OC(=O)C\C=C\Br Amb24511491 [2,0,0,0,0,0|1,0,1]=4 1970 B6R0.4 OC(=O)C\C=C\Cl Amb25111871 [2,0,0,0,0,0|1,0,1]=4 1971 B6R0.4 OC(=O)C\C=C\I Amb24507704 [2,0,0,0,0,0|1,0,1]=4 1972 B6R0.4 OCCCC(=O)O Amb17615189 [2,0,0,0,0,0|0,0,1]=3 1973 B6R0.4 OCCCC(O)=O Amb18640332 [2,0,0,0,0,0|0,0,1]=3 1974 B6R0.4 ON=NCC(O)=O Amb25204101 [2,0,0,0,0,0|2,0,0]=4 1975 B6R0.4 O[13CH2][13CH2][13CH2][13C](O)=O Amb19132555 [2,0,0,0,0,0|0,0,1]=3 1976 B6R0.4 SCCCC(=O)O Amb16185429 [2,0,0,0,0,0|0,1,1]=4 1977 B6R0.4 [O-][N+](=O)CCC=O Amb24052990 [2,0,0,0,0,0|1,0,1]=4 1978 B6R0.3 C#CC(O)C(O)=O Amb22731622 [2,0,0,0,0,0|0,0,2]=4 1979 B6R0.3 C=C(CO)C(O)=O Amb18121817 [2,0,0,0,0,0|1,0,1]=4 1980 B6R0.3 C=CC(Br)C(O)=O Amb24453871 [2,0,0,0,0,0|1,0,1]=4 1981 B6R0.3 C=CC(N)C(O)=O Amb20240543 [2,0,0,0,0,0|1,0,1]=4 1982 B6R0.3 C=CC(O)C(O)=O Amb24061247 [2,0,0,0,0,0|0,0,1]=3 1983 B6R0.3 C=C[C@@H](N)C(O)=O Amb20241335 [2,0,0,0,0,0|1,0,1]=4 1984 B6R0.3 C=C[C@@H](N)C(O)=O Amb22756048 [2,0,0,0,0,0|1,0,1]=4 1985 B6R0.3 C=C[C@@H](O)C(N)=O Amb25791152 [2,0,0,0,0,0|1,0,1]=4 1986 B6R0.3 C=C[C@@H](O)C(O)=O Amb25146844 [2,0,0,0,0,0|0,0,1]=3 1987 B6R0.3 C=C[C@H](O)C(O)=O Amb25118468 [2,0,0,0,0,0|0,0,1]=3 1988 B6R0.3 CC(=C)C(O)C=O Amb24457056 [2,0,0,0,0,0|2,0,0]=4 1989 B6R0.3 CC(=C)C(O)CO Amb23570510 [2,0,0,0,0,0|2,0,0]=4 1990 B6R0.3 CC(=C)[C@@H](O)CO Amb25747414 [2,0,0,0,0,0|2,0,0]=4 1991 B6R0.3 CC(=C)[C@H](O)CO Amb24439174 [2,0,0,0,0,0|2,0,0]=4 1992 B6R0.3 CC(=CO)C(O)=O Amb25745269 [2,0,0,0,0,0|1,0,1]=4 1993 B6R0.3 CC(=O)C(Br)CO Amb24649743 [2,0,0,0,0,0|2,0,0]=4 1994 B6R0.3 CC(=O)C(Cl)CO Amb25321596 [2,0,0,0,0,0|2,0,0]=4 1995 B6R0.3 CC(=O)C(F)CO Amb24725289 [2,0,0,0,0,0|2,0,0]=4 1996 B6R0.3 CC(=O)C(N)CO Amb18640011 [2,0,0,0,0,0|2,0,0]=4 1997 B6R0.3 CC(=O)C(O)=CO Amb25302267 [2,0,0,0,0,0|1,0,1]=4 1998 B6R0.3 CC(=O)C(O)C=O Amb24715304 [2,0,0,0,0,0|1,0,0]=3 1999 B6R0.3 CC(=O)C(O)CN Amb24636554 [2,0,0,0,0,0|2,0,0]=4 2000 B6R0.3 CC(=O)C([Na])C=O Amb25858759 [2,0,0,0,0,0|2,0,0]=4 2001 B6R0.3 CC(=O)[C@@H](N)CO Amb22745043 [2,0,0,0,0,0|2,0,0]=4 2002 B6R0.3 CC(=O)[C@@H](O)C=C Amb25662172 [2,0,0,0,0,0|1,0,1]=4 2003 B6R0.3 CC(=O)[C@@H](O)CCl Amb24401543 [2,0,0,0,0,0|2,0,0]=4 2004 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [2,0,0,0,0,0|1,0,0]=3 2005 B6R0.3 CC(=O)[C@H](O)C=C Amb24480657 [2,0,0,0,0,0|1,0,1]=4 2006 B6R0.3 CC(=O)[C@H](O)CCl Amb25169511 [2,0,0,0,0,0|2,0,0]=4 2007 B6R0.3 CC(=O)[C@H](O)CO Amb25838797 [2,0,0,0,0,0|1,0,0]=3 2008 B6R0.3 CC(=O)\C(\O)=C\O Amb24621662 [2,0,0,0,0,0|1,0,1]=4 2009 B6R0.3 CC(C(=O)C)CO Amb10844844 [2,0,0,0,0,0|2,0,0]=4 2010 B6R0.3 CC(C=C)C(O)=O Amb21618706 [2,0,0,0,0,0|1,0,1]=4 2011 B6R0.3 CC(C=O)C(C)=O Amb18639572 [2,0,0,0,0,0|2,0,0]=4 2012 B6R0.3 CC(C=O)C(N)=O Amb24479831 [2,0,0,0,0,0|2,0,0]=4 2013 B6R0.3 CC(CBr)C(O)=O Amb22002601 [2,0,0,0,0,0|2,0,0]=4 2014 B6R0.3 CC(CCl)C(O)=O Amb18522181 [2,0,0,0,0,0|2,0,0]=4 2015 B6R0.3 CC(CF)C(O)=O Amb24432331 [2,0,0,0,0,0|2,0,0]=4 2016 B6R0.3 CC(CI)C(O)=O Amb25695307 [2,0,0,0,0,0|2,0,0]=4 2017 B6R0.3 CC(CO)C([O-])=O Amb24123145 [2,0,0,0,0,0|1,0,1]=4 2018 B6R0.3 CC(N=C)C(O)=O Amb24591339 [2,0,0,0,0,0|2,0,0]=4 2019 B6R0.3 CC(O)=C(O)C=O Amb25747147 [2,0,0,0,0,0|1,0,1]=4 2020 B6R0.3 CC(O)C(O)C=O Amb18122303 [2,0,0,0,0,0|1,0,1]=4 2021 B6R0.3 CC(O)C(O)CO Amb22227692 [2,0,0,0,0,0|1,0,1]=4 2022 B6R0.3 CCC(C(=O)O)S Amb17501370 [2,0,0,0,0,0|0,1,1]=4 2023 B6R0.3 CCC(F)C(O)=O Amb25716167 [2,0,0,0,0,0|1,0,1]=4 2024 B6R0.3 CCC(O)C(C)=O Amb25336501 [2,0,0,0,0,0|1,0,1]=4 2025 B6R0.3 CCC(O)C(N)=O Amb24116514 [2,0,0,0,0,0|1,0,1]=4 2026 B6R0.3 CCC(O)C(O)=O Amb22352315 [2,0,0,0,0,0|0,0,1]=3 2027 B6R0.3 CCC(O)C(O)=O Amb22360643 [2,0,0,0,0,0|0,0,1]=3 2028 B6R0.3 CCC(O)C([O-])=O Amb17943026 [2,0,0,0,0,0|0,0,2]=4 2029 B6R0.3 CCC(O)C([O-])=O Amb24325325 [2,0,0,0,0,0|0,0,2]=4 2030 B6R0.3 CCC(O)P(O)=O Amb25169578 [2,0,0,0,0,0|1,0,1]=4 2031 B6R0.3 CC[C@@H](Cl)C(O)=O Amb22800493 [2,0,0,0,0,0|1,0,1]=4 2032 B6R0.3 CC[C@@H](F)C(O)=O Amb24669143 [2,0,0,0,0,0|1,0,1]=4 2033 B6R0.3 CC[C@@H](O)C(C)=O Amb25108045 [2,0,0,0,0,0|1,0,1]=4 2034 B6R0.3 CC[C@@H](O)C(O)=O Amb22369401 [2,0,0,0,0,0|0,0,1]=3 2035 B6R0.3 CC[C@H](Br)C(O)=O Amb20242441 [2,0,0,0,0,0|1,0,1]=4 2036 B6R0.3 CC[C@H](C(=O)O)N Amb16233349 [2,0,0,0,0,0|1,0,1]=4 2037 B6R0.3 CC[C@H](Cl)C(O)=O Amb25190040 [2,0,0,0,0,0|1,0,1]=4 2038 B6R0.3 CC[C@H](F)C(O)=O Amb24479776 [2,0,0,0,0,0|1,0,1]=4 2039 B6R0.3 CC[C@H](O)C(C)=O Amb24332700 [2,0,0,0,0,0|1,0,1]=4 2040 B6R0.3 CC[C@H](O)C(N)=O Amb25858046 [2,0,0,0,0,0|1,0,1]=4 2041 B6R0.3 COC(O)C(O)=O Amb24479754 [2,0,0,0,0,0|1,0,1]=4 2042 B6R0.3 C[C@@H](C(=O)O)CN Amb10844022 [2,0,0,0,0,0|2,0,0]=4 2043 B6R0.3 C[C@@H](C=O)C(C)=O Amb24666681 [2,0,0,0,0,0|2,0,0]=4 2044 B6R0.3 C[C@@H](CBr)C(O)=O Amb24334368 [2,0,0,0,0,0|2,0,0]=4 2045 B6R0.3 C[C@@H](CN)C(O)=O Amb22756746 [2,0,0,0,0,0|2,0,0]=4 2046 B6R0.3 C[C@@H](CO)C(C)=O Amb25320503 [2,0,0,0,0,0|2,0,0]=4 2047 B6R0.3 C[C@@H](CS)C(O)=O Amb24462697 [2,0,0,0,0,0|1,1,0]=4 2048 B6R0.3 C[C@@H](NO)C(O)=O Amb24702625 [2,0,0,0,0,0|2,0,0]=4 2049 B6R0.3 C[C@@H](O)[C@H](O)C=O Amb24398705 [2,0,0,0,0,0|1,0,1]=4 2050 B6R0.3 C[C@@H](O)[C@H](O)CO Amb25084430 [2,0,0,0,0,0|1,0,1]=4 2051 B6R0.3 C[C@H](C(=O)O)CCl Amb10844008 [2,0,0,0,0,0|2,0,0]=4 2052 B6R0.3 C[C@H](C=O)C(C)=O Amb25358934 [2,0,0,0,0,0|2,0,0]=4 2053 B6R0.3 C[C@H](CCl)C(O)=O Amb25133056 [2,0,0,0,0,0|2,0,0]=4 2054 B6R0.3 C[C@H](CN)C(O)=O Amb24117452 [2,0,0,0,0,0|2,0,0]=4 2055 B6R0.3 C[C@H](CS)C(O)=O Amb25228453 [2,0,0,0,0,0|1,1,0]=4 2056 B6R0.3 C[C@H](N=C)C(O)=O Amb25720495 [2,0,0,0,0,0|2,0,0]=4 2057 B6R0.3 C[C@H](O)[C@H](O)CO Amb25185955 [2,0,0,0,0,0|1,0,1]=4 2058 B6R0.3 C\C(=C/O)\C(O)=O Amb25140969 [2,0,0,0,0,0|1,0,1]=4 2059 B6R0.3 C\C(\O)=C(\O)/C=O Amb25119300 [2,0,0,0,0,0|1,0,1]=4 2060 B6R0.3 C\C=C(/O)\C(O)=O Amb22727962 [2,0,0,0,0,0|1,0,1]=4 2061 B6R0.3 NC(=O)C(Cl)CO Amb24392534 [2,0,0,0,0,0|2,0,0]=4 2062 B6R0.3 NC(=O)C(F)CO Amb24507432 [2,0,0,0,0,0|2,0,0]=4 2063 B6R0.3 NC(=O)N(O)C=O Amb24479864 [2,0,0,0,0,0|2,0,0]=4 2064 B6R0.3 NC(=O)[C@H](O)CO Amb25732480 [2,0,0,0,0,0|1,0,0]=3 2065 B6R0.3 NC(C(=O)N)CO Amb17593097 [2,0,0,0,0,0|2,0,0]=4 2066 B6R0.3 NC(C(=O)O)CF Amb10839589 [2,0,0,0,0,0|2,0,0]=4 2067 B6R0.3 NC(C(=O)O)CS Amb13961966 [2,0,0,0,0,0|1,1,0]=4 2068 B6R0.3 NC(C=O)C(O)=O Amb24349579 [2,0,0,0,0,0|1,0,0]=3 2069 B6R0.3 NC(C=S)C(O)=O Amb25227802 [2,0,0,0,0,0|1,1,0]=4 2070 B6R0.3 NC(CCl)C(O)=O Amb19651457 [2,0,0,0,0,0|2,0,0]=4 2071 B6R0.3 NC(CCl)C(O)=O Amb21961077 [2,0,0,0,0,0|2,0,0]=4 2072 B6R0.3 NC(CI)C(O)=O Amb25177412 [2,0,0,0,0,0|2,0,0]=4 2073 B6R0.3 NC(CO)[13C](O)=O Amb22353217 [2,0,0,0,0,0|1,0,0]=3 2074 B6R0.3 NC(CS)C(O)=O Amb22489523 [2,0,0,0,0,0|1,1,0]=4 2075 B6R0.3 NC([13CH2]S)C(O)=O Amb22054824 [2,0,0,0,0,0|1,1,0]=4 2076 B6R0.3 NCC(C(=O)O)Cl Amb17593263 [2,0,0,0,0,0|2,0,0]=4 2077 B6R0.3 NCC(C(=O)O)S Amb17593238 [2,0,0,0,0,0|1,1,0]=4 2078 B6R0.3 NCC(F)C(O)=O Amb22733051 [2,0,0,0,0,0|2,0,0]=4 2079 B6R0.3 NCC(N)C(O)=O Amb22899095 [2,0,0,0,0,0|2,0,0]=4 2080 B6R0.3 NC[C@@H](F)C(O)=O Amb25824168 [2,0,0,0,0,0|2,0,0]=4 2081 B6R0.3 NC[C@@H](N)C(O)=O Amb22745957 [2,0,0,0,0,0|2,0,0]=4 2082 B6R0.3 NC[C@@H](O)C(O)=O Amb22169412 [2,0,0,0,0,0|1,0,0]=3 2083 B6R0.3 NOC(O)C(O)=O Amb24735537 [2,0,0,0,0,0|2,0,0]=4 2084 B6R0.3 N[13CH2][13C@H]([13C](=O)O)F Amb17608076 [2,0,0,0,0,0|2,0,0]=4 2085 B6R0.3 N[13CH2][13CH]([13C](=O)O)F Amb17614381 [2,0,0,0,0,0|2,0,0]=4 2086 B6R0.3 N[14CH]([14CH2]O)[14C](O)=O Amb22362940 [2,0,0,0,0,0|1,0,0]=3 2087 B6R0.3 N[C@@H](CCl)C(O)=O Amb22232860 [2,0,0,0,0,0|2,0,0]=4 2088 B6R0.3 N[C@@H](CI)C(O)=O Amb25767583 [2,0,0,0,0,0|2,0,0]=4 2089 B6R0.3 N[C@@H](CO)C(O)=O Amb22351170 [2,0,0,0,0,0|1,0,0]=3 2090 B6R0.3 N[C@@H](CS)[13C](O)=O Amb22350380 [2,0,0,0,0,0|1,1,0]=4 2091 B6R0.3 N[C@H](C(=O)O)CN Amb16183820 [2,0,0,0,0,0|2,0,0]=4 2092 B6R0.3 N[C@H](CF)C(O)=O Amb24479910 [2,0,0,0,0,0|2,0,0]=4 2093 B6R0.3 N[C@H](CO)C(N)=O Amb22886957 [2,0,0,0,0,0|2,0,0]=4 2094 B6R0.3 N[C@H](CS)C(O)=O Amb17942912 [2,0,0,0,0,0|1,1,0]=4 2095 B6R0.3 O=CC(C(=O)C)Br Amb17232509 [2,0,0,0,0,0|2,0,0]=4 2096 B6R0.3 OC(=CBr)C(O)=O Amb24479759 [2,0,0,0,0,0|1,0,1]=4 2097 B6R0.3 OC(=CS)C(O)=O Amb25340519 [2,0,0,0,0,0|0,1,1]=4 2098 B6R0.3 OC(=O)C(=O)C=O Amb25836179 [2,0,0,0,0,0|0,0,2]=4 2099 B6R0.3 OC(=O)C(Br)CCl Amb24478864 [2,0,0,0,0,0|2,0,0]=4 2100 B6R0.3 OC(=O)C(CF)Br Amb10605519 [2,0,0,0,0,0|2,0,0]=4 2101 B6R0.3 OC(=O)C(Cl)C=O Amb24480969 [2,0,0,0,0,0|1,0,0]=3 2102 B6R0.3 OC(=O)C(Cl)CBr Amb25227429 [2,0,0,0,0,0|2,0,0]=4 2103 B6R0.3 OC(=O)C(Cl)CCl Amb22228245 [2,0,0,0,0,0|2,0,0]=4 2104 B6R0.3 OC(=O)C(Cl)CF Amb24669144 [2,0,0,0,0,0|2,0,0]=4 2105 B6R0.3 OC(=O)C(Cl)CS Amb18643661 [2,0,0,0,0,0|1,1,0]=4 2106 B6R0.3 OC(=O)C(F)C=O Amb22055301 [2,0,0,0,0,0|1,0,0]=3 2107 B6R0.3 OC(=O)C(F)CF Amb24746801 [2,0,0,0,0,0|2,0,0]=4 2108 B6R0.3 OC(=O)C(S)CS Amb18643295 [2,0,0,0,0,0|0,2,0]=4 2109 B6R0.3 OC(=O)[C@H](Cl)CCl Amb25141566 [2,0,0,0,0,0|2,0,0]=4 2110 B6R0.3 OC(=O)\C(\Cl)=C/O Amb24479774 [2,0,0,0,0,0|1,0,1]=4 2111 B6R0.3 OC(C=O)C(O)=O Amb18640325 [2,0,0,0,0,0|0,0,0]=2 2112 B6R0.3 OC(CBr)C(O)=O Amb24061932 [2,0,0,0,0,0|1,0,0]=3 2113 B6R0.3 OC(CCl)P(O)=O Amb25069434 [2,0,0,0,0,0|2,0,0]=4 2114 B6R0.3 OC(CO)C(O)Cl Amb25210424 [2,0,0,0,0,0|1,0,1]=4 2115 B6R0.3 OC(CS)C(O)=O Amb18642053 [2,0,0,0,0,0|0,1,0]=3 2116 B6R0.3 OC(O)[C@@H](O)CO Amb24480839 [2,0,0,0,0,0|0,0,2]=4 2117 B6R0.3 OC(O)[C@H](O)CO Amb25317667 [2,0,0,0,0,0|0,0,2]=4 2118 B6R0.3 OCC(Br)C(O)=O Amb18126327 [2,0,0,0,0,0|1,0,0]=3 2119 B6R0.3 OCC(C(=O)O)F Amb17593117 [2,0,0,0,0,0|1,0,0]=3 2120 B6R0.3 OCC(C(=O)O)O Amb17593103 [2,0,0,0,0,0|0,0,0]=2 2121 B6R0.3 OCC(Cl)C(O)=O Amb18124304 [2,0,0,0,0,0|1,0,0]=3 2122 B6R0.3 OC[C@@H](C(=O)O)Br Amb10601700 [2,0,0,0,0,0|1,0,0]=3 2123 B6R0.3 OC[C@@H](C(=O)O)C Amb10844567 [2,0,0,0,0,0|1,0,0]=3 2124 B6R0.3 OC[C@H](C(=O)O)C Amb10844554 [2,0,0,0,0,0|1,0,0]=3 2125 B6R0.3 OC[C@H](O)C(O)=O Amb22226732 [2,0,0,0,0,0|0,0,0]=2 2126 B6R0.3 ONC(O)C(O)=O Amb25832155 [2,0,0,0,0,0|1,0,0]=3 2127 B6R0.3 O[C@@H](CCl)C(O)=O Amb22225325 [2,0,0,0,0,0|1,0,0]=3 2128 B6R0.3 O[C@@H](CF)C(O)=O Amb24117272 [2,0,0,0,0,0|1,0,0]=3 2129 B6R0.3 O[C@@H](CS)C(O)=O Amb24428282 [2,0,0,0,0,0|0,1,0]=3 2130 B6R0.3 O[C@H](CCl)C(O)=O Amb22388611 [2,0,0,0,0,0|1,0,0]=3 2131 B6R0.3 O\C(=N\O)\C(O)=O Amb24462565 [2,0,0,0,0,0|1,0,1]=4 2132 B6R0.3 [13CH3][13CH2][13CH](O)[13C](O)=O Amb22350316 [2,0,0,0,0,0|0,0,1]=3 2133 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](O)=O Amb22354011 [2,0,0,0,0,0|1,1,0]=4 2134 B6R0.3 [15NH2][C@@H](CO)C(O)=O Amb22353589 [2,0,0,0,0,0|1,0,0]=3 2135 B6R0.3 [O-]C(=O)C(O)CO Amb22045196 [2,0,0,0,0,0|0,0,1]=3 2136 B6R0.3 [O-]C(=O)[C@@H](O)CO Amb22799769 [2,0,0,0,0,0|0,0,1]=3 2137 B8R0.2 C=C(C(O)CO)C(O)=O Amb18642874 [1,1,0,0,0,0|0,0,2]=4 2138 B8R0.2 C=CC(O)C(N)C(O)=O Amb18642830 [1,1,0,0,0,0|1,0,0]=3 2139 B8R0.2 C=C[C@@H](O)[C@H](N)C(O)=O Amb25111565 [1,1,0,0,0,0|1,0,0]=3 2140 B8R0.2 C=C[C@H](O)[C@H](N)C(O)=O Amb25328036 [1,1,0,0,0,0|1,0,0]=3 2141 B8R0.2 CC(=O)C(O)C(O)C=O Amb24633454 [1,1,0,0,0,0|1,0,0]=3 2142 B8R0.2 CC(=O)[C@@H](O)[C@@H](O)C=O Amb25032290 [1,1,0,0,0,0|1,0,0]=3 2143 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO Amb24477828 [1,1,0,0,0,0|1,0,1]=4 2144 B8R0.2 CC(C(C)C=C)C(O)=O Amb18642611 [1,1,0,0,0,0|2,0,0]=4 2145 B8R0.2 CC(C(C)C=O)C(O)=O Amb24468282 [1,1,0,0,0,0|1,0,0]=3 2146 B8R0.2 CC(C(O)=O)N(C)C=O Amb18284942 [1,1,0,0,0,0|2,0,0]=4 2147 B8R0.2 CC(C(O)C#C)C(O)=O Amb25123215 [1,1,0,0,0,0|1,0,1]=4 2148 B8R0.2 CC(C(O)C=C)C(O)=O Amb18642774 [1,1,0,0,0,0|1,0,0]=3 2149 B8R0.2 CC(C=C)C(Br)C(O)=O Amb25102712 [1,1,0,0,0,0|2,0,0]=4 2150 B8R0.2 CC(C=C)C(F)C(O)=O Amb24426918 [1,1,0,0,0,0|2,0,0]=4 2151 B8R0.2 CC(C=C)C(N)C(O)=O Amb18989861 [1,1,0,0,0,0|2,0,0]=4 2152 B8R0.2 CC(C=C)C(O)C(O)=O Amb18642750 [1,1,0,0,0,0|2,0,0]=4 2153 B8R0.2 CC(C=O)C(N)C(O)=O Amb24374650 [1,1,0,0,0,0|1,0,0]=3 2154 B8R0.2 CC(O)C(O)C(O)C=O Amb24711583 [1,1,0,0,0,0|1,0,1]=4 2155 B8R0.2 CCC(C(C(=O)O)C)O Amb10844267 [1,1,0,0,0,0|1,0,1]=4 2156 B8R0.2 CCC(O)C(N)C(O)=O Amb18203168 [1,1,0,0,0,0|1,0,1]=4 2157 B8R0.2 CCC(O)C(O)C(O)=O Amb24441607 [1,1,0,0,0,0|1,0,1]=4 2158 B8R0.2 CCC(O)[C@@H](N)C(O)=O Amb22750712 [1,1,0,0,0,0|1,0,1]=4 2159 B8R0.2 CCC(O)[C@H](N)C(O)=O Amb24364655 [1,1,0,0,0,0|1,0,1]=4 2160 B8R0.2 CC[C@@H](O)[C@@H](N)C(O)=O Amb24087716 [1,1,0,0,0,0|1,0,1]=4 2161 B8R0.2 CC[C@@H](O)[C@H](N)C(O)=O Amb24105353 [1,1,0,0,0,0|1,0,1]=4 2162 B8R0.2 CC[C@@H](O)[C@H](O)C(O)=O Amb24431211 [1,1,0,0,0,0|1,0,1]=4 2163 B8R0.2 CN(C=O)C(O)C(O)=O Amb24069122 [1,1,0,0,0,0|2,0,0]=4 2164 B8R0.2 C[C@@H](C(O)=O)N(C)C=O Amb24558225 [1,1,0,0,0,0|2,0,0]=4 2165 B8R0.2 C[C@@H](C=C)[C@H](N)C(O)=O Amb24340139 [1,1,0,0,0,0|2,0,0]=4 2166 B8R0.2 C[C@@H](C=O)[C@H](N)C(O)=O Amb25142449 [1,1,0,0,0,0|1,0,0]=3 2167 B8R0.2 C[C@@H](CO)[C@@H](N)C(O)=O Amb24117487 [1,1,0,0,0,0|1,0,1]=4 2168 B8R0.2 C[C@@H](CO)[C@H](N)C(O)=O Amb24117488 [1,1,0,0,0,0|1,0,1]=4 2169 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)C=O Amb22229972 [1,1,0,0,0,0|1,0,1]=4 2170 B8R0.2 C[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25803604 [1,1,0,0,0,0|1,0,1]=4 2171 B8R0.2 C[C@@H]([C@@H](C)C=C)C(O)=O Amb24721924 [1,1,0,0,0,0|2,0,0]=4 2172 B8R0.2 C[C@@H]([C@@H](C)C=O)C(O)=O Amb24470204 [1,1,0,0,0,0|1,0,0]=3 2173 B8R0.2 C[C@@H]([C@@H](C)CO)C(O)=O Amb24696822 [1,1,0,0,0,0|1,0,1]=4 2174 B8R0.2 C[C@@H]([C@@H](O)CC)C(O)=O Amb24427100 [1,1,0,0,0,0|1,0,1]=4 2175 B8R0.2 C[C@@H]([C@H](O)C=C)C(O)=O Amb24622455 [1,1,0,0,0,0|1,0,0]=3 2176 B8R0.2 C[C@@H]([C@H](O)CC)C(O)=O Amb24472165 [1,1,0,0,0,0|1,0,1]=4 2177 B8R0.2 C[C@H](C=C)[C@@H](N)C(O)=O Amb24460813 [1,1,0,0,0,0|2,0,0]=4 2178 B8R0.2 C[C@H](C=C)[C@H](Br)C(O)=O Amb25074908 [1,1,0,0,0,0|2,0,0]=4 2179 B8R0.2 C[C@H](C=C)[C@H](Cl)C(O)=O Amb24361246 [1,1,0,0,0,0|2,0,0]=4 2180 B8R0.2 C[C@H](C=C)[C@H](F)C(O)=O Amb25138124 [1,1,0,0,0,0|2,0,0]=4 2181 B8R0.2 C[C@H](C=O)[C@@H](O)C(C)=O Amb25768475 [1,1,0,0,0,0|2,0,0]=4 2182 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)C=O Amb24741570 [1,1,0,0,0,0|1,0,1]=4 2183 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O Amb22229973 [1,1,0,0,0,0|1,0,1]=4 2184 B8R0.2 C[C@H]([C@H](C)C=C)C(O)=O Amb24528497 [1,1,0,0,0,0|2,0,0]=4 2185 B8R0.2 ClCC(C(C(=O)O)O)O Amb17593871 [1,1,0,0,0,0|1,0,1]=4 2186 B8R0.2 FC[C@H]([C@@H](C(=O)O)N)O Amb13883676 [1,1,0,0,0,0|1,0,1]=4 2187 B8R0.2 NC(=O)[C@@H](O)[C@@H](O)CO Amb24533413 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO Amb25146059 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.2 NC(C(O)CO)C(O)=O Amb18642974 [1,1,0,0,0,0|0,0,1]=3 2190 B8R0.2 NC(CO)C(O)C(O)=O Amb25270055 [1,1,0,0,0,0|1,0,1]=4 2191 B8R0.2 NC[C@H](O)[C@@H](O)C(O)=O Amb25323660 [1,1,0,0,0,0|1,0,1]=4 2192 B8R0.2 NC[C@H](O)[C@H](O)C(O)=O Amb25242625 [1,1,0,0,0,0|1,0,1]=4 2193 B8R0.2 N[C@@H](C(O)CBr)C(O)=O Amb24391545 [1,1,0,0,0,0|1,0,1]=4 2194 B8R0.2 N[C@@H](C(O)CF)C(O)=O Amb24426022 [1,1,0,0,0,0|1,0,1]=4 2195 B8R0.2 N[C@@H](CO)[C@H](O)C(O)=O Amb25738857 [1,1,0,0,0,0|1,0,1]=4 2196 B8R0.2 N[C@@H]([C@@H](O)CBr)C(O)=O Amb24480277 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.2 N[C@@H]([C@@H](O)CO)C(N)=O Amb24717733 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.2 N[C@@H]([C@@H](O)CO)C(O)=O Amb25678241 [1,1,0,0,0,0|0,0,1]=3 2199 B8R0.2 N[C@@H]([C@H](N)CO)C(O)=O Amb24761920 [1,1,0,0,0,0|1,0,1]=4 2200 B8R0.2 N[C@@H]([C@H](O)CCl)C(O)=O Amb25324441 [1,1,0,0,0,0|1,0,1]=4 2201 B8R0.2 N[C@@H]([C@H](O)CO)C(O)=O Amb24674136 [1,1,0,0,0,0|0,0,1]=3 2202 B8R0.2 N[C@H](CO)[C@H](O)C(O)=O Amb25090400 [1,1,0,0,0,0|1,0,1]=4 2203 B8R0.2 N[C@H]([C@@H](O)CO)C(=O)Cl Amb25707913 [1,1,0,0,0,0|1,0,1]=4 2204 B8R0.2 N[C@H]([C@@H](O)CO)C(O)=O Amb25836554 [1,1,0,0,0,0|0,0,1]=3 2205 B8R0.2 N[C@H]([C@H](O)CO)C(O)=O Amb24671346 [1,1,0,0,0,0|0,0,1]=3 2206 B8R0.2 O=C[C@@H]([C@@H]([C@H](O)C)O)O Amb10602917 [1,1,0,0,0,0|1,0,1]=4 2207 B8R0.2 OC(=O)C(=O)C(Br)C=O Amb25074432 [1,1,0,0,0,0|1,0,1]=4 2208 B8R0.2 OC(=O)C(=O)C(Cl)C=O Amb25363255 [1,1,0,0,0,0|1,0,1]=4 2209 B8R0.2 OC(C(O)C=O)C(O)=O Amb18124399 [1,1,0,0,0,0|0,0,0]=2 2210 B8R0.2 OC(C(O)CBr)C(O)=O Amb24358122 [1,1,0,0,0,0|1,0,1]=4 2211 B8R0.2 OC(CF)C(Br)C(O)=O Amb25733261 [1,1,0,0,0,0|1,0,1]=4 2212 B8R0.2 OCC(O)C(O)C(O)=O Amb22495524 [1,1,0,0,0,0|0,0,1]=3 2213 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O Amb22801448 [1,1,0,0,0,0|0,0,1]=3 2214 B8R0.2 OC[C@H](O)[C@@H](O)C([O-])=O Amb17943095 [1,1,0,0,0,0|0,0,2]=4 2215 B8R0.2 OC[C@H](O)[C@H](O)C(O)=O Amb25223742 [1,1,0,0,0,0|0,0,1]=3 2216 B8R0.2 O[C@@H]([C@H](O)CBr)C(O)=O Amb24426113 [1,1,0,0,0,0|1,0,1]=4 2217 B8R0.2 O[C@@H]([C@H](O)CCl)C(O)=O Amb25836734 [1,1,0,0,0,0|1,0,1]=4 2218 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22552521 [1,1,0,0,0,0|0,0,2]=4 2219 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22733096 [1,1,0,0,0,0|0,0,2]=4 2220 B8R0.2 [O-]C(=O)C(O)C(O)CO Amb22734344 [1,1,0,0,0,0|0,0,2]=4 2221 B8R0.2 [O-]C(=O)[C@@H](O)[C@H](O)CO Amb22744783 [1,1,0,0,0,0|0,0,2]=4 2222 B8R0.5 C=C=CC(N)CC(O)=O Amb24476615 [1,1,0,0,0,0|2,0,0]=4 2223 B8R0.5 C=CCC(N)CC(O)=O Amb22641964 [1,1,0,0,0,0|2,0,0]=4 2224 B8R0.5 C=CCC(O)CC(O)=O Amb18642785 [1,1,0,0,0,0|1,0,0]=3 2225 B8R0.5 C=CC[C@@H](CC(=O)O)C Amb10844371 [1,1,0,0,0,0|2,0,0]=4 2226 B8R0.5 C=CC[C@@H](N)CC(O)=O Amb22746166 [1,1,0,0,0,0|2,0,0]=4 2227 B8R0.5 C=CC[C@@H](O)CC(N)=O Amb24680790 [1,1,0,0,0,0|2,0,0]=4 2228 B8R0.5 C=CC[C@H](CC(=O)O)C Amb10844336 [1,1,0,0,0,0|2,0,0]=4 2229 B8R0.5 CC(=O)C[C@H](O)CCO Amb24551545 [1,1,0,0,0,0|1,0,1]=4 2230 B8R0.5 CC(CC(C)=O)NC=O Amb24477804 [1,1,0,0,0,0|2,0,0]=4 2231 B8R0.5 CC(CC(O)=O)NC=O Amb18967805 [1,1,0,0,0,0|1,0,0]=3 2232 B8R0.5 CC(CC=C)CC(O)=O Amb18642628 [1,1,0,0,0,0|2,0,0]=4 2233 B8R0.5 CC(CCO)CC(O)=O Amb18642882 [1,1,0,0,0,0|1,0,1]=4 2234 B8R0.5 CC(O)CC(O)CC=O Amb25032311 [1,1,0,0,0,0|1,0,1]=4 2235 B8R0.5 CCC[C@@H](O)CC(O)=O Amb25188904 [1,1,0,0,0,0|1,0,1]=4 2236 B8R0.5 CCC[C@H](O)CC(O)=O Amb25367955 [1,1,0,0,0,0|1,0,1]=4 2237 B8R0.5 COCC(C)CC(O)=O Amb19024342 [1,1,0,0,0,0|1,0,1]=4 2238 B8R0.5 COCC(Cl)CC(O)=O Amb24627002 [1,1,0,0,0,0|1,0,1]=4 2239 B8R0.5 COCC(O)CC(O)=O Amb18832518 [1,1,0,0,0,0|0,0,1]=3 2240 B8R0.5 COC[C@@H](C)CC(O)=O Amb25064328 [1,1,0,0,0,0|1,0,1]=4 2241 B8R0.5 CSCC(O)CC(O)=O Amb24621046 [1,1,0,0,0,0|0,1,1]=4 2242 B8R0.5 C[C@@H](CCO)CC(O)=O Amb24699186 [1,1,0,0,0,0|1,0,1]=4 2243 B8R0.5 C[C@@H](O)C[C@@H](O)CC=O Amb24631653 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.5 C\C=C\C(C)CC(O)=O Amb24731262 [1,1,0,0,0,0|2,0,0]=4 2245 B8R0.5 C\C=C\C(O)CC(C)=O Amb24676886 [1,1,0,0,0,0|2,0,0]=4 2246 B8R0.5 C\C=C\C(O)CC(N)=O Amb24567413 [1,1,0,0,0,0|2,0,0]=4 2247 B8R0.5 C\C=C\[C@@H](C)CC(O)=O Amb25343237 [1,1,0,0,0,0|2,0,0]=4 2248 B8R0.5 C\C=C\[C@@H](O)CC(C)=O Amb25143519 [1,1,0,0,0,0|2,0,0]=4 2249 B8R0.5 C\C=C\[C@H](O)CC(O)=O Amb25312045 [1,1,0,0,0,0|1,0,0]=3 2250 B8R0.5 N#CC[C@H](O)CC(O)=O Amb25294743 [1,1,0,0,0,0|1,0,1]=4 2251 B8R0.5 N[C@@H](CCO)CC(O)=O Amb25851007 [1,1,0,0,0,0|1,0,1]=4 2252 B8R0.16 C=CC(CC(O)=O)C=C Amb18642422 [1,1,0,0,0,0|2,0,0]=4 2253 B8R0.16 C=CC(CC(O)=O)CO Amb25690344 [1,1,0,0,0,0|1,0,0]=3 2254 B8R0.16 C=C[C@H](CC(O)=O)CO Amb24534457 [1,1,0,0,0,0|1,0,0]=3 2255 B8R0.16 CC(=O)CC(C=O)C=O Amb25767018 [1,1,0,0,0,0|1,0,1]=4 2256 B8R0.16 CC(=O)N[C@@H](CO)C=O Amb24761306 [1,1,0,0,0,0|2,0,0]=4 2257 B8R0.16 CC(=O)N[C@H](CO)C=O Amb25145985 [1,1,0,0,0,0|2,0,0]=4 2258 B8R0.16 CCC(CC(C)=O)C=O Amb18642641 [1,1,0,0,0,0|2,0,0]=4 2259 B8R0.16 CCC(CC(O)=O)C=C Amb18642661 [1,1,0,0,0,0|2,0,0]=4 2260 B8R0.16 CCC(CC(O)=O)C=O Amb25372312 [1,1,0,0,0,0|1,0,0]=3 2261 B8R0.16 CCC(CC(O)=O)CO Amb25188910 [1,1,0,0,0,0|1,0,1]=4 2262 B8R0.16 CCC(CC(O)=O)OC Amb19037306 [1,1,0,0,0,0|1,0,1]=4 2263 B8R0.16 CCN(CC(O)=O)C=O Amb18972736 [1,1,0,0,0,0|2,0,0]=4 2264 B8R0.16 CC[C@H](CC(C)=O)C=O Amb25687293 [1,1,0,0,0,0|2,0,0]=4 2265 B8R0.16 COC(CC(C)=O)C=O Amb25798334 [1,1,0,0,0,0|1,0,0]=3 2266 B8R0.16 COC(CC(O)=O)C=C Amb18642791 [1,1,0,0,0,0|1,0,0]=3 2267 B8R0.16 COC(CC(O)=O)CO Amb25738299 [1,1,0,0,0,0|0,0,1]=3 2268 B8R0.16 COC(CC(O)=O)OC Amb22231899 [1,1,0,0,0,0|2,0,0]=4 2269 B8R0.16 CO[C@H](CC(C)=C)C=O Amb25370693 [1,1,0,0,0,0|2,0,0]=4 2270 B8R0.16 CO[C@H](CC(O)=O)C#C Amb25773997 [1,1,0,0,0,0|1,0,1]=4 2271 B8R0.16 NCC(CC(O)=O)CO Amb22546422 [1,1,0,0,0,0|1,0,1]=4 2272 B8R0.16 OC(=O)CC(C=O)C=O Amb24577569 [1,1,0,0,0,0|0,0,1]=3 2273 B8R0.19 C=CC(O)CC(=O)C#C Amb25059247 [1,1,0,0,0,0|2,0,0]=4 2274 B8R0.19 CC(CC(=C)C=O)C=O Amb24334526 [1,1,0,0,0,0|2,0,0]=4 2275 B8R0.19 CCC(=O)CC(C)C=O Amb18642639 [1,1,0,0,0,0|2,0,0]=4 2276 B8R0.19 CCC(O)CC(=O)OC Amb24425172 [1,1,0,0,0,0|1,0,1]=4 2277 B8R0.19 CCC(O)CC(O)C=O Amb25770125 [1,1,0,0,0,0|1,0,1]=4 2278 B8R0.19 CC[C@@H](O)CC(=O)OC Amb22224793 [1,1,0,0,0,0|1,0,1]=4 2279 B8R0.19 CC[C@H](O)CC(=O)OC Amb20240681 [1,1,0,0,0,0|1,0,1]=4 2280 B8R0.19 COC(=O)CC(=C)C=O Amb24434902 [1,1,0,0,0,0|1,0,1]=4 2281 B8R0.19 COC(=O)CC(=O)C=O Amb25827200 [1,1,0,0,0,0|0,0,2]=4 2282 B8R0.19 COC(=O)CC(Br)C=O Amb18647814 [1,1,0,0,0,0|1,0,0]=3 2283 B8R0.19 COC(=O)CC(C)C=C Amb24712566 [1,1,0,0,0,0|2,0,0]=4 2284 B8R0.19 COC(=O)CC(C)C=O Amb18642765 [1,1,0,0,0,0|1,0,0]=3 2285 B8R0.19 COC(=O)CC(C)CO Amb24729571 [1,1,0,0,0,0|1,0,1]=4 2286 B8R0.19 COC(=O)CC(C)NO Amb25032324 [1,1,0,0,0,0|2,0,0]=4 2287 B8R0.19 COC(=O)CC(N)C=C Amb25380673 [1,1,0,0,0,0|2,0,0]=4 2288 B8R0.19 COC(=O)CC(N)CO Amb24366077 [1,1,0,0,0,0|1,0,1]=4 2289 B8R0.19 COC(=O)CC(O)C=C Amb25746682 [1,1,0,0,0,0|1,0,0]=3 2290 B8R0.19 COC(=O)CC(O)CBr Amb25201054 [1,1,0,0,0,0|1,0,1]=4 2291 B8R0.19 COC(=O)CC(O)CCl Amb20241285 [1,1,0,0,0,0|1,0,1]=4 2292 B8R0.19 COC(=O)CC(O)CN Amb25146166 [1,1,0,0,0,0|1,0,1]=4 2293 B8R0.19 COC(=O)CN(C)C=O Amb21856175 [1,1,0,0,0,0|2,0,0]=4 2294 B8R0.19 COC(=O)CN(C)C=O Amb22349764 [1,1,0,0,0,0|2,0,0]=4 2295 B8R0.19 COC(=O)C[C@@H](C)CO Amb22747755 [1,1,0,0,0,0|1,0,1]=4 2296 B8R0.19 COC(=O)C[C@@H](CO)O Amb13883661 [1,1,0,0,0,0|0,0,1]=3 2297 B8R0.19 COC(=O)C[C@@H](N)C=C Amb25704281 [1,1,0,0,0,0|2,0,0]=4 2298 B8R0.19 COC(=O)C[C@@H](O)C=C Amb24705874 [1,1,0,0,0,0|1,0,0]=3 2299 B8R0.19 COC(=O)C[C@@H](O)CBr Amb23437907 [1,1,0,0,0,0|1,0,1]=4 2300 B8R0.19 COC(=O)C[C@@H](O)CN Amb24113025 [1,1,0,0,0,0|1,0,1]=4 2301 B8R0.19 COC(=O)C[C@H](N)CO Amb24561636 [1,1,0,0,0,0|1,0,1]=4 2302 B8R0.19 COC(=O)C[C@H](O)C#C Amb24748370 [1,1,0,0,0,0|1,0,1]=4 2303 B8R0.19 COC(=O)C[C@H](O)C=C Amb25788939 [1,1,0,0,0,0|1,0,0]=3 2304 B8R0.19 COC(=O)NC(C)C=O Amb24359055 [1,1,0,0,0,0|2,0,0]=4 2305 B8R0.19 NCC(O)CC(=O)NO Amb25203640 [1,1,0,0,0,0|1,0,1]=4 2306 B8R0.19 OCC(O)CC(O)C=O Amb22731319 [1,1,0,0,0,0|0,0,2]=4 2307 B8R0.19 OC[C@@H](O)CC(=O)C=O Amb24468249 [1,1,0,0,0,0|0,0,2]=4 2308 B8R0.19 OC[C@@H](O)C[C@@H](O)C=O Amb25340462 [1,1,0,0,0,0|0,0,2]=4 2309 B8R0.19 OC[C@H](O)C[C@@H](O)C=O Amb24441617 [1,1,0,0,0,0|0,0,2]=4 2310 B8R0.19 O[C@@H](CC(=O)CO)CO Amb24387900 [1,1,0,0,0,0|0,0,1]=3 2311 B8R0.24 CC(CP(O)(O)=O)C=O Amb25134096 [1,1,0,0,0,0|2,0,0]=4 2312 B8R0.24 OCC(O)CS(O)(=O)=O Amb25802047 [1,1,0,0,0,0|1,0,1]=4 2313 B8R0.34 CC(=O)CC(C)(C)C=O Amb18642640 [1,1,0,0,0,0|2,0,0]=4 2314 B8R0.34 CC(C)(CC(O)=O)CO Amb24116870 [1,1,0,0,0,0|1,0,1]=4 2315 B8R0.34 CC(N)(CC(O)=O)C=C Amb22641965 [1,1,0,0,0,0|2,0,0]=4 2316 B8R0.34 CC(O)(CC(O)=O)C=C Amb18642755 [1,1,0,0,0,0|1,0,0]=3 2317 B8R0.34 CC(O)(CN)CC(O)=O Amb25188898 [1,1,0,0,0,0|1,0,1]=4 2318 B8R0.34 CCC(C)(O)CC(O)=O Amb18298122 [1,1,0,0,0,0|1,0,1]=4 2319 B8R0.34 CC[C@@](C)(O)CC(O)=O Amb25697894 [1,1,0,0,0,0|1,0,1]=4 2320 B8R0.34 CC[C@](C)(O)CC(O)=O Amb24746144 [1,1,0,0,0,0|1,0,1]=4 2321 B8R0.34 C[C@@](N)(CC(O)=O)CO Amb25715205 [1,1,0,0,0,0|1,0,1]=4 2322 B8R0.34 C[C@@](O)(CN)CC(O)=O Amb24745092 [1,1,0,0,0,0|1,0,1]=4 2323 B8R0.34 OOP(O)(=O)CC(O)=O Amb22230756 [1,1,0,0,0,0|2,0,0]=4 2324 B8R0.3 CC(CC=C)C(=O)CO Amb25662371 [1,1,0,0,0,0|2,0,0]=4 2325 B8R0.3 CC(OC)C(O)CC=O Amb24662835 [1,1,0,0,0,0|1,0,1]=4 2326 B8R0.3 CCC(=O)C(C)CC=O Amb25139519 [1,1,0,0,0,0|2,0,0]=4 2327 B8R0.3 CCCC(O)C(=O)OC Amb23454534 [1,1,0,0,0,0|1,0,1]=4 2328 B8R0.3 CCCC(O)C(=O)O[Na] Amb22360645 [1,1,0,0,0,0|1,0,1]=4 2329 B8R0.3 CCC[C@H](O)C(=O)OC Amb25318183 [1,1,0,0,0,0|1,0,1]=4 2330 B8R0.3 CN(CC=O)C(=O)CO Amb24084373 [1,1,0,0,0,0|2,0,0]=4 2331 B8R0.3 CNC(=O)C(O)CCO Amb24417912 [1,1,0,0,0,0|1,0,1]=4 2332 B8R0.3 CNC(=O)[C@@H](O)CCO Amb25272705 [1,1,0,0,0,0|1,0,1]=4 2333 B8R0.3 COC(=O)C(=C)CC=O Amb25827223 [1,1,0,0,0,0|1,0,1]=4 2334 B8R0.3 COC(=O)C(Br)CC=C Amb24529042 [1,1,0,0,0,0|2,0,0]=4 2335 B8R0.3 COC(=O)C(Br)CCO Amb25708416 [1,1,0,0,0,0|1,0,1]=4 2336 B8R0.3 COC(=O)C(C)CC=O Amb18642746 [1,1,0,0,0,0|1,0,0]=3 2337 B8R0.3 COC(=O)C(C)CNO Amb25698628 [1,1,0,0,0,0|2,0,0]=4 2338 B8R0.3 COC(=O)C(C)NC=O Amb25147028 [1,1,0,0,0,0|2,0,0]=4 2339 B8R0.3 COC(=O)C(Cl)CC=C Amb25365264 [1,1,0,0,0,0|2,0,0]=4 2340 B8R0.3 COC(=O)C(Cl)CCO Amb25300346 [1,1,0,0,0,0|1,0,1]=4 2341 B8R0.3 COC(=O)C(Cl)NC=O Amb24479985 [1,1,0,0,0,0|2,0,0]=4 2342 B8R0.3 COC(=O)C(N)CC=C Amb18642703 [1,1,0,0,0,0|2,0,0]=4 2343 B8R0.3 COC(=O)C(N)CC=C Amb22757544 [1,1,0,0,0,0|2,0,0]=4 2344 B8R0.3 COC(=O)C(N)CCO Amb18305497 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.3 COC(=O)C(O)CC#N Amb25716720 [1,1,0,0,0,0|1,0,1]=4 2346 B8R0.3 COC(=O)C(O)CC=O Amb25357382 [1,1,0,0,0,0|0,0,0]=2 2347 B8R0.3 COC(=O)C(O)CCF Amb25114455 [1,1,0,0,0,0|1,0,1]=4 2348 B8R0.3 COC(=O)C(O)CCO Amb25846187 [1,1,0,0,0,0|0,0,1]=3 2349 B8R0.3 COC(=O)C(O)COC Amb23596463 [1,1,0,0,0,0|2,0,0]=4 2350 B8R0.3 COC(=O)C(O)CON Amb24360318 [1,1,0,0,0,0|2,0,0]=4 2351 B8R0.3 COC(=O)C(O)NC=O Amb25791063 [1,1,0,0,0,0|1,0,0]=3 2352 B8R0.3 COC(=O)N(C)CC=O Amb25216418 [1,1,0,0,0,0|2,0,0]=4 2353 B8R0.3 COC(=O)[C@@H](C)CC=O Amb25683366 [1,1,0,0,0,0|1,0,0]=3 2354 B8R0.3 COC(=O)[C@@H](C)NC=O Amb25716179 [1,1,0,0,0,0|2,0,0]=4 2355 B8R0.3 COC(=O)[C@@H](N)CC=C Amb22750599 [1,1,0,0,0,0|2,0,0]=4 2356 B8R0.3 COC(=O)[C@@H](N)CC=C Amb24120340 [1,1,0,0,0,0|2,0,0]=4 2357 B8R0.3 COC(=O)[C@@H](N)CCO Amb24183815 [1,1,0,0,0,0|1,0,1]=4 2358 B8R0.3 COC(=O)[C@@H](N)CCO Amb24746756 [1,1,0,0,0,0|1,0,1]=4 2359 B8R0.3 COC(=O)[C@@H](O)CC=C Amb25146218 [1,1,0,0,0,0|1,0,0]=3 2360 B8R0.3 COC(=O)[C@@H](O)CCN Amb25146066 [1,1,0,0,0,0|1,0,1]=4 2361 B8R0.3 COC(=O)[C@H](C)NC=O Amb24476955 [1,1,0,0,0,0|2,0,0]=4 2362 B8R0.3 COC(=O)[C@H](N)CC=C Amb24635550 [1,1,0,0,0,0|2,0,0]=4 2363 B8R0.3 COC(=O)[C@H](O)CC#C Amb24674438 [1,1,0,0,0,0|1,0,1]=4 2364 B8R0.3 COC(=O)[C@H](O)CCN Amb24476659 [1,1,0,0,0,0|1,0,1]=4 2365 B8R0.3 COCC(O)C(=O)CO Amb25286582 [1,1,0,0,0,0|2,0,0]=4 2366 B8R0.3 COC[C@H](O)C(=O)CO Amb24422234 [1,1,0,0,0,0|2,0,0]=4 2367 B8R0.3 C\C=C\C(O)C(=O)OC Amb25091584 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.3 C\C=C\[C@H](O)C(=O)OC Amb24430980 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.3 OC(CBr)C(O)CC=O Amb25835141 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.3 OC([C@H](CO)O)CC=O Amb10838108 [1,1,0,0,0,0|0,0,2]=4 2371 B8R0.3 OCC(=O)C(O)CC=O Amb25350826 [1,1,0,0,0,0|0,0,0]=2 2372 B8R0.3 OCC(=O)C(O)CCO Amb24364093 [1,1,0,0,0,0|0,0,1]=3 2373 B8R0.3 OCC(=O)[C@@H](O)CCO Amb25718359 [1,1,0,0,0,0|0,0,1]=3 2374 B8R0.3 OCCC(O)C(O)C=O Amb25694394 [1,1,0,0,0,0|0,0,2]=4 2375 B8R0.3 OCC[C@H](O)[C@H](O)C=O Amb25300385 [1,1,0,0,0,0|0,0,2]=4 2376 B8R0.3 OC[C@H](O)[C@H](O)CC=O Amb17943012 [1,1,0,0,0,0|0,0,2]=4 2377 B8R0.3 O[C@H](CS)[C@@H](O)CC=O Amb25326234 [1,1,0,0,0,0|0,1,1]=4 2378 B8R0.8 C=C=CCC(N)C(O)=O Amb25843448 [1,1,0,0,0,0|2,0,0]=4 2379 B8R0.8 C=C=CC[C@H](N)C(O)=O Amb24355608 [1,1,0,0,0,0|2,0,0]=4 2380 B8R0.8 C=CCCC(Cl)C(O)=O Amb25041973 [1,1,0,0,0,0|2,0,0]=4 2381 B8R0.8 C=CCCC(N)C(O)=O Amb24383848 [1,1,0,0,0,0|2,0,0]=4 2382 B8R0.8 C=CCC[C@@H](N)C(O)=O Amb23439045 [1,1,0,0,0,0|2,0,0]=4 2383 B8R0.8 C=CCOC(F)C(O)=O Amb24478688 [1,1,0,0,0,0|2,0,0]=4 2384 B8R0.8 CC#CCC(O)C(O)=O Amb25213344 [1,1,0,0,0,0|1,0,1]=4 2385 B8R0.8 CC(=O)C(O)CCCO Amb24364072 [1,1,0,0,0,0|1,0,1]=4 2386 B8R0.8 CC(CCC=C)C(O)=O Amb18642656 [1,1,0,0,0,0|2,0,0]=4 2387 B8R0.8 CC(CCC=O)C(C)=O Amb18642650 [1,1,0,0,0,0|2,0,0]=4 2388 B8R0.8 CC(CCC=O)C(O)=O Amb18642767 [1,1,0,0,0,0|1,0,0]=3 2389 B8R0.8 CC(CNC=O)C(C)=O Amb24095657 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.8 CC(CNC=O)C(O)=O Amb18299693 [1,1,0,0,0,0|1,0,0]=3 2391 B8R0.8 CC(OCC=O)C(C)=O Amb24340213 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.8 CCOCC(O)C(O)=O Amb25804394 [1,1,0,0,0,0|1,0,1]=4 2393 B8R0.8 CCOC[C@H](O)C(O)=O Amb24340099 [1,1,0,0,0,0|1,0,1]=4 2394 B8R0.8 CNCCC(O)C(O)=O Amb24540612 [1,1,0,0,0,0|1,0,1]=4 2395 B8R0.8 COCCC(C)C(O)=O Amb18523823 [1,1,0,0,0,0|1,0,1]=4 2396 B8R0.8 COCCC(O)C(=O)Cl Amb25781911 [1,1,0,0,0,0|1,0,1]=4 2397 B8R0.8 COCC[C@@H](C(=O)O)N Amb16183872 [1,1,0,0,0,0|1,0,1]=4 2398 B8R0.8 COCC[C@H](C(=O)O)N Amb16183870 [1,1,0,0,0,0|1,0,1]=4 2399 B8R0.8 COCC[C@H](C)C(O)=O Amb24392969 [1,1,0,0,0,0|1,0,1]=4 2400 B8R0.8 COCC[C@H](N)C(O)=O Amb24054991 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.8 CONCC(N)C(O)=O Amb24392137 [1,1,0,0,0,0|2,0,0]=4 2402 B8R0.8 CONC[C@H](N)C(O)=O Amb25376688 [1,1,0,0,0,0|2,0,0]=4 2403 B8R0.8 CO\C=C/C(C)C(O)=O Amb18642780 [1,1,0,0,0,0|1,0,1]=4 2404 B8R0.8 CO\C=C\C(C)C(O)=O Amb25188040 [1,1,0,0,0,0|1,0,1]=4 2405 B8R0.8 CO\C=C\C(N)C(O)=O Amb18642835 [1,1,0,0,0,0|1,0,1]=4 2406 B8R0.8 CO\C=C\[C@H](N)C(O)=O Amb24478831 [1,1,0,0,0,0|1,0,1]=4 2407 B8R0.8 CSCCC(O)C(O)=O Amb18304609 [1,1,0,0,0,0|0,1,1]=4 2408 B8R0.8 CSCC[C@@H](O)C(O)=O Amb25124092 [1,1,0,0,0,0|0,1,1]=4 2409 B8R0.8 CS[13CH2][13CH2][13CH]([13C](=O)O)O Amb17615592 [1,1,0,0,0,0|0,1,1]=4 2410 B8R0.8 C[C@@H](NCC=C)C(O)=O Amb24481671 [1,1,0,0,0,0|2,0,0]=4 2411 B8R0.8 C[C@@H](O)[C@@H](O)CCC=O Amb24469407 [1,1,0,0,0,0|1,0,1]=4 2412 B8R0.8 C[C@H](CCC=C)C(O)=O Amb24337306 [1,1,0,0,0,0|2,0,0]=4 2413 B8R0.8 C\C=C/CC(O)C(C)=O Amb24551722 [1,1,0,0,0,0|2,0,0]=4 2414 B8R0.8 C\C=C/C[C@H](N)C(O)=O Amb24713154 [1,1,0,0,0,0|2,0,0]=4 2415 B8R0.8 C\C=C/C[C@H](O)C(C)=O Amb25087742 [1,1,0,0,0,0|2,0,0]=4 2416 B8R0.8 C\C=C\CC(C)C(O)=O Amb18642630 [1,1,0,0,0,0|2,0,0]=4 2417 B8R0.8 C\C=C\CC(O)C(C)=O Amb25707027 [1,1,0,0,0,0|2,0,0]=4 2418 B8R0.8 C\C=C\CC(O)C(O)=O Amb18642742 [1,1,0,0,0,0|1,0,0]=3 2419 B8R0.8 C\C=C\C[C@@H](N)C(O)=O Amb24632390 [1,1,0,0,0,0|2,0,0]=4 2420 B8R0.8 NC(=O)C(O)CCCO Amb25104583 [1,1,0,0,0,0|1,0,1]=4 2421 B8R0.8 NC(=O)[C@@H](O)CCCO Amb25804971 [1,1,0,0,0,0|1,0,1]=4 2422 B8R0.8 NC(C(=O)O)CCON Amb17593409 [1,1,0,0,0,0|1,0,1]=4 2423 B8R0.8 NC(CCC=O)C(O)=O Amb24340141 [1,1,0,0,0,0|1,0,0]=3 2424 B8R0.8 NC(CCCO)C(O)=O Amb18642915 [1,1,0,0,0,0|1,0,1]=4 2425 B8R0.8 NC(CCCO)C(O)=O Amb22900028 [1,1,0,0,0,0|1,0,1]=4 2426 B8R0.8 NC(CN=C=O)C(O)=O Amb24423805 [1,1,0,0,0,0|1,0,1]=4 2427 B8R0.8 NC(COCO)C(O)=O Amb24731952 [1,1,0,0,0,0|1,0,1]=4 2428 B8R0.8 NC(CSC=O)C(O)=O Amb24670042 [1,1,0,0,0,0|1,0,0]=3 2429 B8R0.8 NC(\C=C\CO)C(O)=O Amb24586215 [1,1,0,0,0,0|1,0,1]=4 2430 B8R0.8 NCCCC(O)C(O)=O Amb18124377 [1,1,0,0,0,0|1,0,1]=4 2431 B8R0.8 NCCC[C@@H](O)C(O)=O Amb24459740 [1,1,0,0,0,0|1,0,1]=4 2432 B8R0.8 NOCCC(N)C(O)=O Amb21858490 [1,1,0,0,0,0|1,0,1]=4 2433 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22745427 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22751695 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.8 N[C@@H](CCC=O)C(O)=O Amb25378080 [1,1,0,0,0,0|1,0,0]=3 2436 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24117852 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24666196 [1,1,0,0,0,0|1,0,1]=4 2438 B8R0.8 N[C@@H](C\C=C\Cl)C(O)=O Amb25774032 [1,1,0,0,0,0|2,0,0]=4 2439 B8R0.8 N[C@H](CCC=O)C(O)=O Amb24477812 [1,1,0,0,0,0|1,0,0]=3 2440 B8R0.8 N[C@H](C\C=C\Cl)C(O)=O Amb25114338 [1,1,0,0,0,0|2,0,0]=4 2441 B8R0.8 OC(CNC=O)C(O)=O Amb25126146 [1,1,0,0,0,0|0,0,0]=2 2442 B8R0.8 OCCCC(Cl)C(O)=O Amb25760339 [1,1,0,0,0,0|1,0,1]=4 2443 B8R0.8 OCCCC(O)C(O)=O Amb18642939 [1,1,0,0,0,0|0,0,1]=3 2444 B8R0.8 OCCC[C@@H](C(=O)O)N Amb16183887 [1,1,0,0,0,0|1,0,1]=4 2445 B8R0.8 OCCC[C@H](O)C(O)=O Amb24744314 [1,1,0,0,0,0|0,0,1]=3 2446 B8R0.8 O[C@@H](CNC=O)C(O)=O Amb24453193 [1,1,0,0,0,0|0,0,0]=2 2447 B8R0.12 C=CCC(C(=O)O)(C)C Amb10603495 [1,1,0,0,0,0|2,0,0]=4 2448 B8R0.12 C=CCC(C(=O)O)(F)F Amb10982503 [1,1,0,0,0,0|2,0,0]=4 2449 B8R0.12 C=CCC(Cl)(Cl)C(O)=O Amb24479939 [1,1,0,0,0,0|2,0,0]=4 2450 B8R0.12 C=CCC(F)(Cl)C(O)=O Amb24373901 [1,1,0,0,0,0|2,0,0]=4 2451 B8R0.12 CC(=O)C(C)(C)CC=O Amb24532867 [1,1,0,0,0,0|2,0,0]=4 2452 B8R0.12 CC(=O)C(C)(O)CC=C Amb24648764 [1,1,0,0,0,0|2,0,0]=4 2453 B8R0.12 CC(=O)C(C)(O)CCO Amb25710178 [1,1,0,0,0,0|1,0,1]=4 2454 B8R0.12 CC(C)(CC=O)C(O)=O Amb24340256 [1,1,0,0,0,0|1,0,0]=3 2455 B8R0.12 CC(C)(CCO)C(O)=O Amb24763728 [1,1,0,0,0,0|1,0,1]=4 2456 B8R0.12 CC(C)(CNO)C(O)=O Amb25204097 [1,1,0,0,0,0|2,0,0]=4 2457 B8R0.12 CC(C)(NC=O)C(O)=O Amb18281022 [1,1,0,0,0,0|2,0,0]=4 2458 B8R0.12 CC(N)(CC=C)C(O)=O Amb22733281 [1,1,0,0,0,0|2,0,0]=4 2459 B8R0.12 CC(N)(CC=C)C(O)=O Amb22898994 [1,1,0,0,0,0|2,0,0]=4 2460 B8R0.12 CC(N)(CCO)C(O)=O Amb24340273 [1,1,0,0,0,0|1,0,1]=4 2461 B8R0.12 CC(O)(CC#C)C(O)=O Amb24680889 [1,1,0,0,0,0|1,0,1]=4 2462 B8R0.12 CC(O)(CC=C)C(O)=O Amb25077172 [1,1,0,0,0,0|1,0,0]=3 2463 B8R0.12 CC(O)(CCO)C(O)=O Amb25250520 [1,1,0,0,0,0|0,0,1]=3 2464 B8R0.12 CC(O)(CNO)C(O)=O Amb25032323 [1,1,0,0,0,0|1,0,0]=3 2465 B8R0.12 CC(O)(CON)C(O)=O Amb25853079 [1,1,0,0,0,0|2,0,0]=4 2466 B8R0.12 CC(O)(NC=O)C(O)=O Amb24417430 [1,1,0,0,0,0|1,0,0]=3 2467 B8R0.12 CC(S)(NC=O)C(O)=O Amb24477811 [1,1,0,0,0,0|1,1,0]=4 2468 B8R0.12 CCCC(C)(O)C(O)=O Amb18288835 [1,1,0,0,0,0|1,0,1]=4 2469 B8R0.12 CCC[C@](C)(O)C(O)=O Amb25114242 [1,1,0,0,0,0|1,0,1]=4 2470 B8R0.12 COCC(C)(O)C(O)=O Amb18992608 [1,1,0,0,0,0|2,0,0]=4 2471 B8R0.12 CSCC(C)(O)C(O)=O Amb18644426 [1,1,0,0,0,0|2,0,0]=4 2472 B8R0.12 C[C@@](F)(CC=C)C(O)=O Amb25032094 [1,1,0,0,0,0|2,0,0]=4 2473 B8R0.12 C[C@@](N)(CC=C)C(O)=O Amb23402145 [1,1,0,0,0,0|2,0,0]=4 2474 B8R0.12 C[C@](F)(CC=C)C(O)=O Amb25251491 [1,1,0,0,0,0|2,0,0]=4 2475 B8R0.12 C[C@](N)(CCO)C(O)=O Amb24720458 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.12 OCCC(Cl)(Cl)C(O)=O Amb24692691 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.15 C=CCC(CO)C(O)=O Amb24763754 [1,1,0,0,0,0|1,0,0]=3 2478 B8R0.15 C=CC[C@@H](NO)C(O)=O Amb25328715 [1,1,0,0,0,0|1,0,0]=3 2479 B8R0.15 C=CC[C@H](CN)C(O)=O Amb24679707 [1,1,0,0,0,0|2,0,0]=4 2480 B8R0.15 C=CC\C(=N\O)\C(O)=O Amb25730709 [1,1,0,0,0,0|1,0,1]=4 2481 B8R0.15 CC=NC(CO)C(O)=O Amb24740970 [1,1,0,0,0,0|2,0,0]=4 2482 B8R0.15 CCC(CC=C)C(O)=O Amb18642632 [1,1,0,0,0,0|2,0,0]=4 2483 B8R0.15 CCC(CCO)C(O)=O Amb18642884 [1,1,0,0,0,0|1,0,1]=4 2484 B8R0.15 CCCC(NO)C(O)=O Amb22372057 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.15 CCC[C@@H](CO)C(O)=O Amb24571859 [1,1,0,0,0,0|1,0,1]=4 2486 B8R0.15 CCC[C@H](CO)C(O)=O Amb25063310 [1,1,0,0,0,0|1,0,1]=4 2487 B8R0.15 CCC[C@H](NO)C(O)=O Amb25744829 [1,1,0,0,0,0|1,0,1]=4 2488 B8R0.15 CC[C@@H](NC=O)C(O)=O Amb24700206 [1,1,0,0,0,0|2,0,0]=4 2489 B8R0.15 CC[C@H](CC=C)C(O)=O Amb25145662 [1,1,0,0,0,0|2,0,0]=4 2490 B8R0.15 CNCC(OC)C(O)=O Amb25744334 [1,1,0,0,0,0|2,0,0]=4 2491 B8R0.15 COC(CC=C)C(O)=O Amb24428233 [1,1,0,0,0,0|1,0,0]=3 2492 B8R0.15 COC(CCO)C([O-])=O Amb24362009 [1,1,0,0,0,0|0,0,2]=4 2493 B8R0.15 COC(CSC)C(O)=O Amb25309562 [1,1,0,0,0,0|2,0,0]=4 2494 B8R0.15 COC[C@H](NO)C(O)=O Amb24671375 [1,1,0,0,0,0|2,0,0]=4 2495 B8R0.15 CO[C@@H](CCN)C(O)=O Amb25146111 [1,1,0,0,0,0|1,0,1]=4 2496 B8R0.15 CO[C@@H](CCO)C([O-])=O Amb24421624 [1,1,0,0,0,0|0,0,2]=4 2497 B8R0.15 CO[C@H](COC)C(O)=O Amb25122791 [1,1,0,0,0,0|2,0,0]=4 2498 B8R0.15 CSC(CC=C)C(O)=O Amb18644287 [1,1,0,0,0,0|1,1,0]=4 2499 B8R0.15 CSC(NC=O)C(O)=O Amb24654838 [1,1,0,0,0,0|1,1,0]=4 2500 B8R0.15 OC(=O)C(CS)NC=O Amb20093366 [1,1,0,0,0,0|1,1,0]=4 2501 B8R0.15 OC(=O)[C@H](CS)NC=O Amb24727230 [1,1,0,0,0,0|1,1,0]=4 2502 B8R0.15 OC(=O)\C(\CCO)=N/O Amb25104712 [1,1,0,0,0,0|0,0,2]=4 2503 B8R0.15 OCC(NC=O)C(O)=O Amb18290435 [1,1,0,0,0,0|1,0,0]=3 2504 B8R0.15 OC[C@H](NC=O)C(O)=O Amb24362974 [1,1,0,0,0,0|1,0,0]=3 2505 B8R0.9 BC(=O)NCC(=O)OC Amb22343192 [1,1,0,0,0,0|2,0,0]=4 2506 B8R0.9 BC(=O)NCC(=O)OC Amb25264831 [1,1,0,0,0,0|2,0,0]=4 2507 B8R0.9 BOC(O)=CCC(O)=O Amb25179903 [1,1,0,0,0,0|0,0,2]=4 2508 B8R0.9 C=C(CCC(O)=O)C#N Amb24465180 [1,1,0,0,0,0|2,0,0]=4 2509 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [1,1,0,0,0,0|2,0,0]=4 2510 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [1,1,0,0,0,0|1,0,0]=3 2511 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [1,1,0,0,0,0|1,0,1]=4 2512 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [1,1,0,0,0,0|2,0,0]=4 2513 B8R0.9 CC(=O)CCC(=O)C=C Amb10562681 [1,1,0,0,0,0|2,0,0]=4 2514 B8R0.9 CC(=O)CCC(=O)C=O Amb25224384 [1,1,0,0,0,0|1,0,1]=4 2515 B8R0.9 CC(=O)CCC(=O)NN Amb25793418 [1,1,0,0,0,0|2,0,0]=4 2516 B8R0.9 CC(=O)COC(=O)OC Amb25177471 [1,1,0,0,0,0|2,0,0]=4 2517 B8R0.9 CC(=O)CSC(=O)OC Amb25318847 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.9 CC(=O)NCC(=O)NO Amb25340085 [1,1,0,0,0,0|2,0,0]=4 2519 B8R0.9 CC(CCC(C)=O)=NO Amb24760824 [1,1,0,0,0,0|2,0,0]=4 2520 B8R0.9 CC(CCC(O)=O)=NN Amb24579336 [1,1,0,0,0,0|2,0,0]=4 2521 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [1,1,0,0,0,0|1,0,0]=3 2522 B8R0.9 CCC(=O)CCC(=O)C Amb17593347 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.9 CCC(=O)CCC(=O)Cl Amb24420925 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.9 CCC(=O)CCC(=O)O Amb2099579 [1,1,0,0,0,0|1,0,0]=3 2525 B8R0.9 CCC(=O)CCC(N)=O Amb24669836 [1,1,0,0,0,0|2,0,0]=4 2526 B8R0.9 CCC(=O)CCP(O)=O Amb24748238 [1,1,0,0,0,0|2,0,0]=4 2527 B8R0.9 CCC(=O)NCC(=O)O Amb1120037 [1,1,0,0,0,0|2,0,0]=4 2528 B8R0.9 CCC(=O)OCC(O)=O Amb18642872 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.9 CN(CCC(O)=O)N=O Amb22729196 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.9 CNC(=O)CCC(=O)C Amb17334107 [1,1,0,0,0,0|2,0,0]=4 2532 B8R0.9 CNC(=O)CCC(=O)N Amb17334114 [1,1,0,0,0,0|2,0,0]=4 2533 B8R0.9 CNC(=O)CNC(O)=O Amb24740399 [1,1,0,0,0,0|2,0,0]=4 2534 B8R0.9 CNC(=O)NCC(=O)O Amb1130948 [1,1,0,0,0,0|2,0,0]=4 2535 B8R0.9 CNC(=O)SCC(O)=O Amb24763198 [1,1,0,0,0,0|2,0,0]=4 2536 B8R0.9 COC(=O)C#CC(O)=O Amb22492669 [1,1,0,0,0,0|0,0,2]=4 2537 B8R0.9 COC(=O)CCB(O)O Amb25705142 [1,1,0,0,0,0|1,0,1]=4 2538 B8R0.9 COC(=O)CCC(=O)C Amb13777321 [1,1,0,0,0,0|1,0,0]=3 2539 B8R0.9 COC(=O)CCC(N)=O Amb24323351 [1,1,0,0,0,0|1,0,0]=3 2540 B8R0.9 COC(=O)CCC(N)=S Amb18108081 [1,1,0,0,0,0|1,1,0]=4 2541 B8R0.9 COC(=O)CCS([O-])=O Amb21520328 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.9 COC(=O)CC[C@@H](C)O Amb22388487 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.9 COC(=O)CC[C@H](C)O Amb24351118 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.9 COC(=O)CNC(=O)N Amb1126846 [1,1,0,0,0,0|2,0,0]=4 2545 B8R0.9 COC(=O)CSC(N)=O Amb24672643 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.9 COC(=O)\C=C\C(=O)O Amb10071357 [1,1,0,0,0,0|0,0,2]=4 2547 B8R0.9 COC(=S)NCC(O)=O Amb25146013 [1,1,0,0,0,0|1,1,0]=4 2548 B8R0.9 COC(C)CCC(O)=O Amb24271104 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.9 COP(O)CCC(O)=O Amb22734636 [1,1,0,0,0,0|1,0,1]=4 2550 B8R0.9 CO[C@H](C)CCC(O)=O Amb24383667 [1,1,0,0,0,0|1,0,1]=4 2551 B8R0.9 C\C(\CCC(C)=O)=N/O Amb24422445 [1,1,0,0,0,0|2,0,0]=4 2552 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [1,1,0,0,0,0|2,0,0]=4 2553 B8R0.9 C\C(\CCC(O)=O)=N\N Amb24382718 [1,1,0,0,0,0|2,0,0]=4 2554 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [1,1,0,0,0,0|2,0,0]=4 2555 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [1,1,0,0,0,0|2,0,0]=4 2556 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.9 NC(=O)CCC(=O)N=O Amb24445359 [1,1,0,0,0,0|1,0,1]=4 2558 B8R0.9 NC(=O)CCC(=O)NBr Amb24390936 [1,1,0,0,0,0|2,0,0]=4 2559 B8R0.9 NC(=O)CCC(=O)NCl Amb24425513 [1,1,0,0,0,0|2,0,0]=4 2560 B8R0.9 NC(=O)CCC(=O)NO Amb24340146 [1,1,0,0,0,0|1,0,0]=3 2561 B8R0.9 NC(=O)COC(=O)CO Amb25739390 [1,1,0,0,0,0|2,0,0]=4 2562 B8R0.9 NC(CCC(O)=O)CO Amb18642916 [1,1,0,0,0,0|1,0,1]=4 2563 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [1,1,0,0,0,0|2,0,0]=4 2564 B8R0.9 NCC(=O)CC[13C](O)=O Amb22367280 [1,1,0,0,0,0|1,0,0]=3 2565 B8R0.9 NCC(=O)NCC(=O)O Amb1151360 [1,1,0,0,0,0|2,0,0]=4 2566 B8R0.9 NCC(=O)OCC(O)=O Amb25710415 [1,1,0,0,0,0|2,0,0]=4 2567 B8R0.9 NCC(=O)[13CH2]CC(=O)O Amb17608125 [1,1,0,0,0,0|1,0,0]=3 2568 B8R0.9 NCC(O)CCC(O)=O Amb18124376 [1,1,0,0,0,0|1,0,1]=4 2569 B8R0.9 NC[C@H](O)CCC(O)=O Amb24383262 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.9 NNC(=O)CCC(O)=O Amb22270256 [1,1,0,0,0,0|1,0,0]=3 2571 B8R0.9 NNC(=O)CNC(O)=O Amb25093417 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.9 N[13CH2]C(=O)CCC(O)=O Amb22367582 [1,1,0,0,0,0|1,0,0]=3 2573 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [1,1,0,0,0,0|1,0,1]=4 2574 B8R0.9 N[C@@H](CCC(O)=O)CO Amb24685421 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.9 N[C@H](CCC(O)=O)CO Amb25352213 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.9 O=NN(CCC(=O)O)C Amb17618592 [1,1,0,0,0,0|2,0,0]=4 2577 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [1,1,0,0,0,0|0,0,1]=3 2578 B8R0.9 OC(=O)CCC(=O)CBr Amb18652012 [1,1,0,0,0,0|1,0,0]=3 2579 B8R0.9 OC(=O)CCC(=O)CCl Amb25736440 [1,1,0,0,0,0|1,0,0]=3 2580 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [1,1,0,0,0,0|0,0,0]=2 2581 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [1,1,0,0,0,0|1,0,1]=4 2582 B8R0.9 OC(=O)CNC(=O)CBr Amb18130258 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.9 OC(=O)CNC(=O)CCl Amb1144436 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.9 OC(=O)CNC(=O)CO Amb18124375 [1,1,0,0,0,0|1,0,0]=3 2585 B8R0.9 OC(=O)CNC(=O)NO Amb25228420 [1,1,0,0,0,0|1,0,0]=3 2586 B8R0.9 OC(=O)COC(=O)CCl Amb18644547 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.9 OC(=O)\C=C\C(=O)CO Amb18642735 [1,1,0,0,0,0|0,0,2]=4 2588 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22337964 [1,1,0,0,0,0|0,0,2]=4 2589 B8R0.9 OC(=O)\C=C\C(=O)O[Na] Amb22338796 [1,1,0,0,0,0|0,0,2]=4 2590 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [1,1,0,0,0,0|0,0,1]=3 2591 B8R0.9 OCC(O)CCC(O)=O Amb18124400 [1,1,0,0,0,0|0,0,2]=4 2592 B8R0.9 OC[C@H](O)CCC(O)=O Amb24528896 [1,1,0,0,0,0|0,0,2]=4 2593 B8R0.9 ONC(=O)/C=C\C(O)=O Amb17673396 [1,1,0,0,0,0|0,0,2]=4 2594 B8R0.29 C[Si](C)(O)CCC(O)=O Amb24680973 [1,1,0,0,0,0|1,1,0]=4 2595 B8R0.29 NC(=O)CCS(O)(=O)=O Amb24678269 [1,1,0,0,0,0|2,0,0]=4 2596 B8R0.29 OC(=O)CCP(=O)(O)C Amb1792559 [1,1,0,0,0,0|1,0,0]=3 2597 B8R0.29 OC(=O)CCP(=O)(O)O Amb2228990 [1,1,0,0,0,0|1,0,0]=3 2598 B8R0.29 OC(=O)CCS(=O)(=O)Cl Amb24481869 [1,1,0,0,0,0|1,0,1]=4 2599 B8R0.29 OC(=O)CCS(=O)(=O)O Amb17399954 [1,1,0,0,0,0|1,0,0]=3 2600 B8R0.29 OC(=O)CCS(=O)(=O)S Amb24627680 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.29 OC(=O)CC[P](O)(O)O Amb24543829 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.29 OC(=O)CNP(O)(O)=O Amb25831517 [1,1,0,0,0,0|2,0,0]=4 2603 B8R0.29 OC(=O)CNS(O)(=O)=O Amb25233409 [1,1,0,0,0,0|2,0,0]=4 2604 B8R0.29 OC(=O)COP(O)(O)=O Amb24442945 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.29 OC(=O)COS(O)(=O)=O Amb25210824 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.29 OC(=O)CSS(O)(=O)=O Amb24339336 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.29 OC(=O)NCP(O)(=O)=O Amb22359211 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.18 CC(=O)C(CO)C(C)=O Amb25288499 [0,1,0,0,1,0|2,0,0]=4 2609 B8R0.18 CC(=O)\C(=N/O)\C(O)=O Amb24100395 [0,1,0,0,1,0|1,0,1]=4 2610 B8R0.18 CC(O)C(CO)C(O)=O Amb24759475 [0,1,0,0,1,0|1,0,1]=4 2611 B8R0.18 CCC(C(O)=O)P(O)=O Amb25205534 [0,1,0,0,1,0|2,0,0]=4 2612 B8R0.18 CNC(C(O)=O)C(O)=O Amb24477701 [0,1,0,0,1,0|1,0,0]=3 2613 B8R0.18 N=C=C(C(O)=O)C(O)=O Amb25312535 [0,1,0,0,1,0|1,0,1]=4 2614 B8R0.18 NC(=O)C(=NO)C(O)=O Amb25118376 [0,1,0,0,1,0|1,0,1]=4 2615 B8R0.18 OC(=O)C(=CCl)C(O)=O Amb24634285 [0,1,0,0,1,0|1,0,1]=4 2616 B8R0.18 OC(=O)C(C=O)C(O)=O Amb25188908 [0,1,0,0,1,0|0,0,1]=3 2617 B8R0.18 [NH-][NH+]=C(C(O)=O)C(O)=O Amb24557340 [0,1,0,0,1,0|1,0,1]=4 2618 B8R0.27 CC(=O)C(O)S(O)(=O)=O Amb25769834 [0,1,0,0,1,0|2,0,0]=4 2619 B8R0.27 CC(C(O)=O)S(O)(=O)=O Amb25765487 [0,1,0,0,1,0|2,0,0]=4 2620 B8R0.27 CC(C)(O)C(O)C(O)=O Amb25118477 [0,1,0,0,1,0|1,0,1]=4 2621 B8R0.27 CP(C)(=O)C(O)C(O)=O Amb22231894 [0,1,0,0,1,0|2,0,0]=4 2622 B8R0.27 OC(=O)C(Br)S(O)(=O)=O Amb24375783 [0,1,0,0,1,0|2,0,0]=4 2623 B8R0.27 OC(=O)C(Cl)S(O)(=O)=O Amb25724885 [0,1,0,0,1,0|2,0,0]=4 2624 B8R0.27 OC(=O)C(F)P(O)(O)=O Amb24520819 [0,1,0,0,1,0|2,0,0]=4 2625 B8R0.27 OC(=O)[C@@H](Br)S(O)(=O)=O Amb25218846 [0,1,0,0,1,0|2,0,0]=4 2626 B8R0.27 OC(C(O)=O)P(O)(O)=O Amb24117287 [0,1,0,0,1,0|1,0,0]=3 2627 B8R0.27 OC(C(O)=O)S(O)(=O)=O Amb24739659 [0,1,0,0,1,0|1,0,0]=3 2628 B8R0.37 CC(=C)C(C)(O)C(O)=O Amb18642760 [0,1,0,0,1,0|2,0,0]=4 2629 B8R0.37 CC(=O)C(C)(C)C(O)=O Amb18642784 [0,1,0,0,1,0|2,0,0]=4 2630 B8R0.37 CC(=O)C(C)(O)C(N)=O Amb24084329 [0,1,0,0,1,0|2,0,0]=4 2631 B8R0.37 CC(=O)C(C)(O)C(O)=O Amb18642870 [0,1,0,0,1,0|1,0,0]=3 2632 B8R0.37 CC(=O)C(O)(O)C(C)=O Amb24513654 [0,1,0,0,1,0|2,0,0]=4 2633 B8R0.37 CC(=O)C(O)(O)C(O)=O Amb24101440 [0,1,0,0,1,0|1,0,0]=3 2634 B8R0.37 CC(Br)(C(O)=O)C(O)=O Amb24429036 [0,1,0,0,1,0|1,0,0]=3 2635 B8R0.37 CC(O)(C(O)=O)C(O)=O Amb18124398 [0,1,0,0,1,0|0,0,0]=2 2636 B8R0.37 CC(O)C(C)(O)C(O)=O Amb18124401 [0,1,0,0,1,0|1,0,1]=4 2637 B8R0.37 C[C@@H](O)[C@@](C)(O)C(O)=O Amb25842427 [0,1,0,0,1,0|1,0,1]=4 2638 B8R0.37 C[C@@](N)(C(O)=O)C(N)=O Amb25077574 [0,1,0,0,1,0|2,0,0]=4 2639 B8R0.37 NC(=O)C(Br)(Br)C(O)=O Amb25840519 [0,1,0,0,1,0|2,0,0]=4 2640 B8R0.37 NC(=O)C(F)(F)C(O)=O Amb24385040 [0,1,0,0,1,0|2,0,0]=4 2641 B8R0.37 NC(=O)C(O)(O)C(N)=O Amb25339245 [0,1,0,0,1,0|2,0,0]=4 2642 B8R0.37 OC(=O)C(Br)(Br)C(O)=O Amb24707409 [0,1,0,0,1,0|1,0,0]=3 2643 B8R0.37 OC(=O)C(C(=O)Cl)(C)C Amb17593749 [0,1,0,0,1,0|2,0,0]=4 2644 B8R0.37 OC(=O)C(C(=O)O)(Cl)Cl Amb17594338 [0,1,0,0,1,0|1,0,0]=3 2645 B8R0.37 OC(=O)C(Cl)(Br)C(O)=O Amb25827170 [0,1,0,0,1,0|1,0,0]=3 2646 B8R0.37 OC(=O)C(F)(F)C(O)=O Amb24088375 [0,1,0,0,1,0|1,0,0]=3 2647 B8R0.37 OC(O)(C(O)=O)C(O)=O Amb22002022 [0,1,0,0,1,0|0,0,0]=2 2648 B8R0.37 [O-]C(=O)C(O)(O)C([O-])=O Amb24325371 [0,1,0,0,1,0|0,0,2]=4 2649 B10R0.12 CC(=O)NCC(O)P(O)(O)=O Amb25151913 [0,1,0,0,0,1|2,0,0]=4 2650 B10R0.12 CC(=O)NC[C@@H](O)P(O)(O)=O Amb25285711 [0,1,0,0,0,1|2,0,0]=4 2651 B10R0.12 CC(CCC(O)=O)S(O)(=O)=O Amb25386031 [0,1,0,0,0,1|2,0,0]=4 2652 B10R0.13 CC(=O)C(C)C(C)CC(O)=O Amb18645031 [0,1,0,0,0,1|2,0,0]=4 2653 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,1,0,0,0,1|2,0,0]=4 2654 B10R0.13 CC(=O)NC(C)C(O)C(O)=O Amb25689384 [0,1,0,0,0,1|1,0,0]=3 2655 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [0,1,0,0,0,1|2,0,0]=4 2656 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [0,1,0,0,0,1|2,0,0]=4 2657 B10R0.13 CC(=O)O[C@H](C)[C@H](C)C(O)=O Amb25384861 [0,1,0,0,0,1|2,0,0]=4 2658 B10R0.13 CC(C(N)=O)S(=O)CC(O)=O Amb18305129 [0,1,0,0,0,1|2,0,0]=4 2659 B10R0.13 CC(C(O)=O)=C(C)CC(O)=O Amb25326749 [0,1,0,0,0,1|1,0,1]=4 2660 B10R0.13 CC(C(O)=O)N(C)CC(O)=O Amb24751154 [0,1,0,0,0,1|1,0,0]=3 2661 B10R0.13 CC(C(O)=O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,1|2,0,0]=4 2662 B10R0.13 CC(CC(O)=O)C(=O)C(O)=O Amb25386314 [0,1,0,0,0,1|0,0,2]=4 2663 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,1,0,0,0,1|1,0,0]=3 2664 B10R0.13 CC(NC(N)=O)C(C)C(O)=O Amb24692783 [0,1,0,0,0,1|2,0,0]=4 2665 B10R0.13 CC(O)CC(N)C(O)C(O)=O Amb25384591 [0,1,0,0,0,1|1,0,1]=4 2666 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,1,0,0,0,1|1,0,0]=3 2667 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,1,0,0,0,1|1,0,0]=3 2668 B10R0.13 C[C@H](CC(O)=O)C(=O)C(O)=O Amb25385022 [0,1,0,0,0,1|0,0,2]=4 2669 B10R0.13 C[C@H](NC(N)=O)[C@@H](C)C(O)=O Amb25363206 [0,1,0,0,0,1|2,0,0]=4 2670 B10R0.13 C[C@H](NC(N)=O)[C@H](C)C(O)=O Amb25138793 [0,1,0,0,0,1|2,0,0]=4 2671 B10R0.13 C[C@H](O)C[C@@H](N)[C@H](O)C(O)=O Amb25382155 [0,1,0,0,0,1|1,0,1]=4 2672 B10R0.13 C[C@H](O)C[C@H](O)[C@@H](O)C(O)=O Amb25385175 [0,1,0,0,0,1|1,0,1]=4 2673 B10R0.13 C[C@H](O)C[C@H](O)[C@H](O)C(O)=O Amb25385154 [0,1,0,0,0,1|1,0,1]=4 2674 B10R0.13 C\C(\C(O)=O)=C(\C)/CC(O)=O Amb24373861 [0,1,0,0,0,1|1,0,1]=4 2675 B10R0.13 NC(=O)C(N)C(O)CC(O)=O Amb25384597 [0,1,0,0,0,1|2,0,0]=4 2676 B10R0.13 NC(=O)[C@@H](O)[C@@H](O)CC(N)=O Amb24766252 [0,1,0,0,0,1|2,0,0]=4 2677 B10R0.13 NC(=O)[C@@H](O)[C@H](O)CC(N)=O Amb24766222 [0,1,0,0,0,1|2,0,0]=4 2678 B10R0.13 NC(C(Cl)=CC(O)=O)C(O)=O Amb24374819 [0,1,0,0,0,1|1,0,1]=4 2679 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,1,0,0,0,1|1,0,0]=3 2680 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,1,0,0,0,1|1,0,0]=3 2681 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,1,0,0,0,1|1,0,0]=3 2682 B10R0.13 N[C@@H](C(Cl)=CC(O)=O)C(O)=O Amb24758200 [0,1,0,0,0,1|1,0,1]=4 2683 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,1,0,0,0,1|1,0,0]=3 2684 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,1,0,0,0,1|1,0,0]=3 2685 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,1,0,0,0,1|1,0,0]=3 2686 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,1,0,0,0,1|1,0,0]=3 2687 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,1,0,0,0,1|1,0,0]=3 2688 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,1,0,0,0,1|1,0,0]=3 2689 B10R0.13 N[C@H](\C(\Cl)=C\C(O)=O)C(O)=O Amb24688393 [0,1,0,0,0,1|1,0,1]=4 2690 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,1,0,0,0,1|1,0,0]=3 2691 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,1,0,0,0,1|1,0,0]=3 2692 B10R0.13 OC(=O)[C@@H](O)[C@@H](O)CC(O)=O Amb25386187 [0,1,0,0,0,1|0,0,0]=2 2693 B10R0.13 OC(=O)[C@@H](O)[C@H](O)CC(O)=O Amb25386186 [0,1,0,0,0,1|0,0,0]=2 2694 B10R0.13 OC(CC(O)=O)C(Cl)C(O)=O Amb25386324 [0,1,0,0,0,1|1,0,0]=3 2695 B10R0.43 CC(=O)C(C)(C)CCC(O)=O Amb18126156 [0,1,0,0,0,1|2,0,0]=4 2696 B10R0.43 CC(=O)CCC(C)(C)C(O)=O Amb18645019 [0,1,0,0,0,1|2,0,0]=4 2697 B10R0.43 CC(=O)CSC(C(=O)O)(C)C Amb17501494 [0,1,0,0,0,1|2,0,0]=4 2698 B10R0.43 CC(=O)NCC(C)(C)C(O)=O Amb25101566 [0,1,0,0,0,1|2,0,0]=4 2699 B10R0.43 CC(C)(CCC(O)=O)C(N)=O Amb25382153 [0,1,0,0,0,1|2,0,0]=4 2700 B10R0.43 CC(C)(COC(N)=O)C(O)=O Amb25385152 [0,1,0,0,0,1|2,0,0]=4 2701 B10R0.43 CC(C)(NCC(N)=O)C(O)=O Amb18306733 [0,1,0,0,0,1|2,0,0]=4 2702 B10R0.43 CC(C)(NCC(O)=O)C(N)=O Amb18306310 [0,1,0,0,0,1|2,0,0]=4 2703 B10R0.43 CC(C)(OCC(O)=O)C(O)=O Amb25384885 [0,1,0,0,0,1|1,0,0]=3 2704 B10R0.43 CC(C)(SCC(O)=O)C(N)=O Amb25381511 [0,1,0,0,0,1|2,0,0]=4 2705 B10R0.43 CC(C)(\C=C\C(O)=O)C(O)=O Amb24487945 [0,1,0,0,0,1|1,0,1]=4 2706 B10R0.43 CC(C)=CC[C@@](C)(O)C(O)=O Amb25059182 [0,1,0,0,0,1|2,0,0]=4 2707 B10R0.43 CC(Cl)(CCC(O)=O)C(O)=O Amb25385218 [0,1,0,0,0,1|1,0,0]=3 2708 B10R0.43 CC(N)(CCC(N)=O)C(O)=O Amb25385217 [0,1,0,0,0,1|2,0,0]=4 2709 B10R0.43 CC(N)(CCC(O)=O)C(O)=O Amb22801426 [0,1,0,0,0,1|1,0,0]=3 2710 B10R0.43 CC(O)(CCC(O)=O)C(O)=O Amb25384878 [0,1,0,0,0,1|0,0,0]=2 2711 B10R0.43 C[C@@](O)(CCC(O)=O)C(O)=O Amb25386439 [0,1,0,0,0,1|0,0,0]=2 2712 B10R0.43 NC(=O)CCC(C(=O)O)(F)N Amb10839407 [0,1,0,0,0,1|2,0,0]=4 2713 B10R0.43 NC(=O)CSC(C(=O)O)(C)C Amb17501450 [0,1,0,0,0,1|2,0,0]=4 2714 B10R0.43 NC(=O)CSC(F)(F)C(O)=O Amb25382400 [0,1,0,0,0,1|2,0,0]=4 2715 B10R0.43 NC(=O)NCC(F)(F)C(O)=O Amb24690942 [0,1,0,0,0,1|2,0,0]=4 2716 B10R0.43 OC(=O)CCC(Cl)(Cl)C(O)=O Amb25384394 [0,1,0,0,0,1|1,0,0]=3 2717 B10R0.43 OC(=O)CCC(F)(F)C(O)=O Amb22263070 [0,1,0,0,0,1|1,0,0]=3 2718 B10R0.43 OC(=O)CSC(C(=O)O)(C)C Amb17501462 [0,1,0,0,0,1|1,0,0]=3 2719 B10R0.57 CC(=O)NCC(Br)C(=O)OC Amb25382333 [0,1,0,0,0,1|2,0,0]=4 2720 B10R0.57 CC(=O)NCC(C)C(=O)OC Amb25385897 [0,1,0,0,0,1|2,0,0]=4 2721 B10R0.57 CC(=O)NCC(Cl)C(=O)OC Amb25384848 [0,1,0,0,0,1|2,0,0]=4 2722 B10R0.57 CC(=O)NCC(I)C(=O)OC Amb25382334 [0,1,0,0,0,1|2,0,0]=4 2723 B10R0.57 CC(=O)NC[C@@H](C)C(=O)OC Amb25383898 [0,1,0,0,0,1|2,0,0]=4 2724 B10R0.57 CC(=O)NC[C@@H](N)C(=O)OC Amb25385079 [0,1,0,0,0,1|2,0,0]=4 2725 B10R0.57 CC(=O)NC[C@@H](O)C(=O)OC Amb24765401 [0,1,0,0,0,1|1,0,0]=3 2726 B10R0.57 CC(=O)NC[C@H](C)C(=O)OC Amb24765397 [0,1,0,0,0,1|2,0,0]=4 2727 B10R0.57 CC(=O)NC[C@H](O)C(=O)OC Amb25382700 [0,1,0,0,0,1|1,0,0]=3 2728 B10R0.57 CC(=O)SC[C@@H](C)C(=O)OC Amb22801683 [0,1,0,0,0,1|2,0,0]=4 2729 B10R0.57 COC(=O)C(=O)NCC(O)=O Amb25385135 [0,1,0,0,0,1|0,0,2]=4 2730 B10R0.57 COC(=O)C(C)CCC(O)=O Amb22008198 [0,1,0,0,0,1|1,0,0]=3 2731 B10R0.57 COC(=O)C(O)CNC(N)=O Amb25382332 [0,1,0,0,0,1|1,0,0]=3 2732 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N Amb10844892 [0,1,0,0,0,1|2,0,0]=4 2733 B10R0.57 COC(=O)[C@@H](N)CCC(O)=O Amb22754032 [0,1,0,0,0,1|1,0,0]=3 2734 B10R0.57 C\C(=C/CC(O)=O)\C(=O)OC Amb18126096 [0,1,0,0,0,1|1,0,1]=4 2735 B10R0.57 NC(=O)CCC(N)C(=O)NO Amb25385851 [0,1,0,0,0,1|2,0,0]=4 2736 B10R0.57 NC(=O)CC[C@H](N)C(=O)NO Amb24764528 [0,1,0,0,0,1|2,0,0]=4 2737 B10R0.57 NC(C(=O)O[Na])CCC(=O)O Amb16224798 [0,1,0,0,0,1|1,0,0]=3 2738 B10R0.57 NC(CCC(O)=O)C(=O)O[Na] Amb22730975 [0,1,0,0,0,1|1,0,0]=3 2739 B10R0.57 OC(=O)\C=C\C(\O)=C(/O)\C=O Amb24383141 [0,1,0,0,0,1|0,0,2]=4 2740 B10R0.82 C#CC(=O)NCC(O)C(N)=O Amb24710871 [0,1,0,0,0,1|2,0,0]=4 2741 B10R0.82 C#CC(=O)NCC(O)C(O)=O Amb24661769 [0,1,0,0,0,1|1,0,0]=3 2742 B10R0.82 C#CC(=O)NC[C@H](N)C(O)=O Amb25210877 [0,1,0,0,0,1|2,0,0]=4 2743 B10R0.82 C#CC(=O)OCC(N)C(O)=O Amb25386039 [0,1,0,0,0,1|2,0,0]=4 2744 B10R0.82 C=CC(=O)NCC(N)C(O)=O Amb24767302 [0,1,0,0,0,1|2,0,0]=4 2745 B10R0.82 CC(=O)C(C)CNC(=O)OC Amb25385867 [0,1,0,0,0,1|2,0,0]=4 2746 B10R0.82 CC(CNC(=O)C#C)C(O)=O Amb18299989 [0,1,0,0,0,1|2,0,0]=4 2747 B10R0.82 CC(CNC(=O)C=C)C(O)=O Amb19027694 [0,1,0,0,0,1|2,0,0]=4 2748 B10R0.82 CC(CNC(=O)CN)C(O)=O Amb18313397 [0,1,0,0,0,1|2,0,0]=4 2749 B10R0.82 CC(CO)=CCC(N)C(O)=O Amb25385007 [0,1,0,0,0,1|2,0,0]=4 2750 B10R0.82 CC(CO)=CC[C@H](N)C(O)=O Amb25384231 [0,1,0,0,0,1|2,0,0]=4 2751 B10R0.82 CCC(=O)NCC(C)C(O)=O Amb19027634 [0,1,0,0,0,1|2,0,0]=4 2752 B10R0.82 CCC(=O)NCC(O)C(N)=O Amb24761543 [0,1,0,0,0,1|2,0,0]=4 2753 B10R0.82 CCC(=O)NC[C@H](N)C(O)=O Amb25383897 [0,1,0,0,0,1|2,0,0]=4 2754 B10R0.82 CNC(=O)CCC(N)C(O)=O Amb18645293 [0,1,0,0,0,1|2,0,0]=4 2755 B10R0.82 CNC(=O)CN[C@@H](C)C(O)=O Amb25383665 [0,1,0,0,0,1|2,0,0]=4 2756 B10R0.82 CNC(=O)CN[C@H](C)C(O)=O Amb25383671 [0,1,0,0,0,1|2,0,0]=4 2757 B10R0.82 CNC(=O)CSC(F)C(O)=O Amb25382404 [0,1,0,0,0,1|2,0,0]=4 2758 B10R0.82 CNC(=O)NCC(C)C(O)=O Amb18300018 [0,1,0,0,0,1|2,0,0]=4 2759 B10R0.82 CNC(=O)NCC(N)C(O)=O Amb25806000 [0,1,0,0,0,1|2,0,0]=4 2760 B10R0.82 CNC(=O)NCC(O)C(N)=O Amb24709903 [0,1,0,0,0,1|2,0,0]=4 2761 B10R0.82 CNC(=O)NC[C@H](N)C(O)=O Amb25361972 [0,1,0,0,0,1|2,0,0]=4 2762 B10R0.82 CNC(=O)OCC(N)C(O)=O Amb25385001 [0,1,0,0,0,1|2,0,0]=4 2763 B10R0.82 CNC(=O)SCC(N)C(O)=O Amb25383453 [0,1,0,0,0,1|2,0,0]=4 2764 B10R0.82 CNC(=O)SC[C@@H](C(=O)O)N Amb17617278 [0,1,0,0,0,1|2,0,0]=4 2765 B10R0.82 CNC(=O)SC[C@@H](N)C(O)=O Amb19133092 [0,1,0,0,0,1|2,0,0]=4 2766 B10R0.82 COC(=O)CC[C@@H](C(=O)O)[NH3+] Amb10574405 [0,1,0,0,0,1|1,0,0]=3 2767 B10R0.82 COC(=O)CC[C@@H](C)C(O)=O Amb22801605 [0,1,0,0,0,1|1,0,0]=3 2768 B10R0.82 COC(=O)CC[C@@H](N)C(N)=O Amb22801394 [0,1,0,0,0,1|2,0,0]=4 2769 B10R0.82 COC(=O)CC[C@@H](N)C(O)=O Amb22746068 [0,1,0,0,0,1|1,0,0]=3 2770 B10R0.82 COC(=O)CC[C@H](C(=O)O)N Amb16183875 [0,1,0,0,0,1|1,0,0]=3 2771 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,1|2,0,0]=4 2772 B10R0.82 COC(=O)CC[C@H](N)C(O)=O Amb22336436 [0,1,0,0,0,1|1,0,0]=3 2773 B10R0.82 COC(=O)NCC(C)C(O)=O Amb19027704 [0,1,0,0,0,1|1,0,0]=3 2774 B10R0.82 COC(=O)NCC(O)C(N)=O Amb24755696 [0,1,0,0,0,1|1,0,0]=3 2775 B10R0.82 COC(=O)NC[C@H](N)C(O)=O Amb25383797 [0,1,0,0,0,1|1,0,0]=3 2776 B10R0.82 COC(=O)\C=C\C(N)C(O)=O Amb25385682 [0,1,0,0,0,1|1,0,1]=4 2777 B10R0.82 C\C(=C\CC(=O)OC)\C(O)=O Amb25385213 [0,1,0,0,0,1|1,0,1]=4 2778 B10R0.82 C\C(\CO)=C/C[C@H](N)C(O)=O Amb24763010 [0,1,0,0,0,1|2,0,0]=4 2779 B10R0.82 NC(=O)C(O)CNC(=O)CN Amb24761555 [0,1,0,0,0,1|2,0,0]=4 2780 B10R0.82 NC(CCC(=O)CCl)C(O)=O Amb21929315 [0,1,0,0,0,1|2,0,0]=4 2781 B10R0.82 NC(CCC(=O)NO)C(O)=O Amb22350145 [0,1,0,0,0,1|1,0,0]=3 2782 B10R0.82 NC(C\C=C(\Cl)/CO)C(O)=O Amb25386044 [0,1,0,0,0,1|2,0,0]=4 2783 B10R0.82 NNC(=O)CC[C@@H](N)C(O)=O Amb22800002 [0,1,0,0,0,1|2,0,0]=4 2784 B10R0.82 NNC(=O)CC[C@H](N)C(O)=O Amb25379957 [0,1,0,0,0,1|2,0,0]=4 2785 B10R0.82 N[C@@H](CNC(=O)C=O)C(O)=O Amb25383912 [0,1,0,0,0,1|1,0,1]=4 2786 B10R0.82 N[C@@H](CNC(=O)CCl)C(O)=O Amb25386345 [0,1,0,0,0,1|2,0,0]=4 2787 B10R0.82 N[C@@H](CNC(=O)CI)C(O)=O Amb25383795 [0,1,0,0,0,1|2,0,0]=4 2788 B10R0.82 OC(=O)\C(\O)=C\C=C(/O)\C=O Amb25060733 [0,1,0,0,0,1|0,0,2]=4 2789 B10R0.84 CC(=O)\C(\CCC(O)=O)=N/O Amb24765012 [0,1,0,0,0,1|1,0,1]=4 2790 B10R0.84 CC(C)=CCC(CO)C(O)=O Amb25380559 [0,1,0,0,0,1|2,0,0]=4 2791 B10R0.84 CCC(C(=O)O)CCC(=O)O Amb10552864 [0,1,0,0,0,1|1,0,0]=3 2792 B10R0.84 CCC(C(=O)O)SCC(=O)N Amb17501319 [0,1,0,0,0,1|2,0,0]=4 2793 B10R0.84 CCC(C(=O)O)SCC(=O)O Amb17501325 [0,1,0,0,0,1|1,0,0]=3 2794 B10R0.84 CC\C(=C/CC(O)=O)\C(O)=O Amb18644984 [0,1,0,0,0,1|1,0,1]=4 2795 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [0,1,0,0,0,1|1,0,0]=3 2796 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [0,1,0,0,0,1|1,0,0]=3 2797 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [0,1,0,0,0,1|2,0,0]=4 2798 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [0,1,0,0,0,1|1,0,0]=3 2799 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [0,1,0,0,0,1|1,0,0]=3 2800 B10R0.84 C\C=C(\CCC(O)=O)/C(O)=O Amb25386289 [0,1,0,0,0,1|1,0,1]=4 2801 B10R0.84 OC(=O)C=C\C(=N\O)\C(O)=O Amb24693170 [0,1,0,0,0,1|0,0,2]=4 2802 B10R0.84 OC(=O)CC\C(=N\O)\C(O)=O Amb22365968 [0,1,0,0,0,1|0,0,1]=3 2803 B10R0.92 CC(=O)C(O)COP(O)(O)=O Amb24750377 [0,1,0,0,0,1|2,0,0]=4 2804 B10R0.92 CP(O)(=O)CC[C@@H](N)C(O)=O Amb25384851 [0,1,0,0,0,1|2,0,0]=4 2805 B10R0.92 NC(CCP([O-])(O)=O)C(O)=O Amb19929419 [0,1,0,0,0,1|2,0,0]=4 2806 B10R0.92 NC(CSP(O)(O)=O)C(O)=O Amb24765261 [0,1,0,0,0,1|2,0,0]=4 2807 B10R0.92 NC(CSS(O)(=O)=O)C(O)=O Amb25384388 [0,1,0,0,0,1|2,0,0]=4 2808 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O Amb22230810 [0,1,0,0,0,1|2,0,0]=4 2809 B10R0.92 N[C@@H](COS(O)(=O)=O)C(O)=O Amb22800081 [0,1,0,0,0,1|2,0,0]=4 2810 B10R0.92 N[C@@H](CSP(O)(O)=O)C(O)=O Amb25385816 [0,1,0,0,0,1|2,0,0]=4 2811 B10R0.92 N[C@@H](CSS(O)(=O)=O)C(O)=O Amb22348198 [0,1,0,0,0,1|2,0,0]=4 2812 B10R0.92 N[C@H](COP(O)(O)=O)C(O)=O Amb22231363 [0,1,0,0,0,1|2,0,0]=4 2813 B10R0.92 N[C@H](CSS(O)(=O)=O)C(O)=O Amb25384507 [0,1,0,0,0,1|2,0,0]=4 2814 B10R0.92 OC(=O)C(CCP(=O)(O)C)N Amb10072511 [0,1,0,0,0,1|2,0,0]=4 2815 B10R0.92 OC(CCP(O)(O)=O)C(O)=O Amb25383200 [0,1,0,0,0,1|1,0,0]=3 2816 B10R0.92 OC(CCS(O)(=O)=O)C(O)=O Amb25385005 [0,1,0,0,0,1|1,0,0]=3 2817 B10R0.92 OC(COP(O)(=O)=O)C(O)=O Amb25383447 [0,1,0,0,0,1|1,0,0]=3 2818 B10R0.92 O[C@@H](COP(O)(O)=O)C(O)=O Amb25386288 [0,1,0,0,0,1|1,0,0]=3 2819 B10R0.92 [O-]C(=O)[C@H](O)COP([O-])(O)=O Amb22352179 [0,1,0,0,0,1|1,0,1]=4 2820 B10R0.92 [O-]P([O-])(=O)OC[C@@H](O)C(O)=O Amb22801680 [0,1,0,0,0,1|1,0,1]=4 2821 B10R0.93 BrC(C(=O)O)CC(C(=O)O)Br Amb17621581 [0,1,0,0,0,1|1,0,0]=3 2822 B10R0.93 C=C(CC(N)C(N)=O)C(O)=O Amb25382149 [0,1,0,0,0,1|2,0,0]=4 2823 B10R0.93 C=C(CC(N)C(O)=O)C(O)=O Amb18126175 [0,1,0,0,0,1|1,0,0]=3 2824 B10R0.93 C=C(C[C@H](N)C(O)=O)C(N)=O Amb25386182 [0,1,0,0,0,1|2,0,0]=4 2825 B10R0.93 CC(=C)C(=C)CC(O)C(O)=O Amb25385156 [0,1,0,0,0,1|2,0,0]=4 2826 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,1,0,0,0,1|2,0,0]=4 2827 B10R0.93 CC(=O)C(O)\C=C(/C)\C(O)=O Amb24433897 [0,1,0,0,0,1|1,0,1]=4 2828 B10R0.93 CC(=O)C(O)\C=C(\C)/C(O)=O Amb24563377 [0,1,0,0,0,1|1,0,1]=4 2829 B10R0.93 CC(=O)N(C)CC(C)C(O)=O Amb18984560 [0,1,0,0,0,1|2,0,0]=4 2830 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,1,0,0,0,1|2,0,0]=4 2831 B10R0.93 CC(C(=O)O)CC(=C)C(=O)O Amb10844068 [0,1,0,0,0,1|1,0,0]=3 2832 B10R0.93 CC(C(=O)O)SC(C(=O)O)C Amb17501619 [0,1,0,0,0,1|1,0,0]=3 2833 B10R0.93 CC(CC(C)C(O)=O)C(N)=O Amb25383441 [0,1,0,0,0,1|2,0,0]=4 2834 B10R0.93 CC(CC(Cl)C(O)=O)C(O)=O Amb25386325 [0,1,0,0,0,1|1,0,0]=3 2835 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,1,0,0,0,1|1,0,0]=3 2836 B10R0.93 CC(CN(C)C(N)=O)C(O)=O Amb18292772 [0,1,0,0,0,1|2,0,0]=4 2837 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,1,0,0,0,1|2,0,0]=4 2838 B10R0.93 CC(NC(=O)C(O)=O)C(O)=O Amb25108452 [0,1,0,0,0,1|0,0,2]=4 2839 B10R0.93 CC(NC(C)C(O)=O)C(O)=O Amb18126275 [0,1,0,0,0,1|1,0,0]=3 2840 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,1,0,0,0,1|1,0,0]=3 2841 B10R0.93 C[C@@H](NC(=O)C(O)=O)C(O)=O Amb19893389 [0,1,0,0,0,1|0,0,2]=4 2842 B10R0.93 C[C@@H](N[C@H](C)C(O)=O)C(O)=O Amb25384906 [0,1,0,0,0,1|1,0,0]=3 2843 B10R0.93 C[C@@H](O)[C@@H](O)CC(=O)C(O)=O Amb25385221 [0,1,0,0,0,1|1,0,1]=4 2844 B10R0.93 C[C@@H](O)[C@H](O)CC(=O)C(O)=O Amb25385223 [0,1,0,0,0,1|1,0,1]=4 2845 B10R0.93 C[C@@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382130 [0,1,0,0,0,1|1,0,1]=4 2846 B10R0.93 C[C@@H](O[C@H](C)C(O)=O)C(O)=O Amb25386293 [0,1,0,0,0,1|1,0,0]=3 2847 B10R0.93 C[C@H](NC(=O)C(O)=O)C(O)=O Amb19893397 [0,1,0,0,0,1|0,0,2]=4 2848 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(N)=O Amb25384905 [0,1,0,0,0,1|2,0,0]=4 2849 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(O)=O Amb25382979 [0,1,0,0,0,1|1,0,0]=3 2850 B10R0.93 C[C@H](O)[C@@H](O)CC(=O)C(O)=O Amb25385163 [0,1,0,0,0,1|1,0,1]=4 2851 B10R0.93 C[C@H](O)[C@@H](O)C[C@H](N)C(O)=O Amb25382131 [0,1,0,0,0,1|1,0,1]=4 2852 B10R0.93 C[C@H](O)[C@H](O)CC(=O)C(O)=O Amb25385222 [0,1,0,0,0,1|1,0,1]=4 2853 B10R0.93 C[C@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382129 [0,1,0,0,0,1|1,0,1]=4 2854 B10R0.93 C[C@H](O[C@@H](C)C(O)=O)C(O)=O Amb25386287 [0,1,0,0,0,1|1,0,0]=3 2855 B10R0.93 C[C@H](O[C@H](C)C(O)=O)C(O)=O Amb25386292 [0,1,0,0,0,1|1,0,0]=3 2856 B10R0.93 C\C(=C/C(C)C(O)=O)\C(O)=O Amb25138641 [0,1,0,0,0,1|1,0,1]=4 2857 B10R0.93 C\C(=C\C(C)C(O)=O)\C(O)=O Amb23591115 [0,1,0,0,0,1|1,0,1]=4 2858 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,1,0,0,0,1|2,0,0]=4 2859 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,1,0,0,0,1|2,0,0]=4 2860 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,1,0,0,0,1|2,0,0]=4 2861 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,1,0,0,0,1|2,0,0]=4 2862 B10R0.93 NC(=O)C(N)CC(F)C(O)=O Amb25385219 [0,1,0,0,0,1|2,0,0]=4 2863 B10R0.93 NC(=O)C(O)CC(F)C(N)=O Amb25380511 [0,1,0,0,0,1|2,0,0]=4 2864 B10R0.93 NC(=O)C(O)CC(O)C(O)=O Amb25385182 [0,1,0,0,0,1|1,0,0]=3 2865 B10R0.93 NC(=O)C(O)SC(O)C(N)=O Amb25380504 [0,1,0,0,0,1|2,0,0]=4 2866 B10R0.93 NC(=O)N(O)CC(N)C(O)=O Amb25385220 [0,1,0,0,0,1|2,0,0]=4 2867 B10R0.93 NC(=O)N(O)C[C@H](N)C(O)=O Amb25383798 [0,1,0,0,0,1|2,0,0]=4 2868 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,1,0,0,0,1|2,0,0]=4 2869 B10R0.93 NC(=O)[C@H](N)C[C@@H](F)C(O)=O Amb25384973 [0,1,0,0,0,1|2,0,0]=4 2870 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,1,0,0,0,1|1,0,0]=3 2871 B10R0.93 NC(O)C(O)CC(N)C(O)=O Amb25386028 [0,1,0,0,0,1|1,0,1]=4 2872 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,1,0,0,0,1|1,0,0]=3 2873 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,1,0,0,0,1|1,0,0]=3 2874 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,1,0,0,0,1|1,0,0]=3 2875 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,1,0,0,0,1|1,0,0]=3 2876 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,1,0,0,0,1|1,0,0]=3 2877 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,1,0,0,0,1|0,0,0]=2 2878 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,1,0,0,0,1|0,0,0]=2 2879 B10R0.93 N[C@H](C(=O)N)C[C@@H](C(=O)O)F Amb10838207 [0,1,0,0,0,1|2,0,0]=4 2880 B10R0.93 N[C@H](C(=O)N)C[C@H](C(=O)O)F Amb10841109 [0,1,0,0,0,1|2,0,0]=4 2881 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,1,0,0,0,1|1,0,0]=3 2882 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,1,0,0,0,1|0,0,0]=2 2883 B10R0.93 OC(=O)C(=O)CC(=O)C(O)=O Amb24754815 [0,1,0,0,0,1|0,0,2]=4 2884 B10R0.93 OC(=O)C(Cl)CC(Cl)C(O)=O Amb25385940 [0,1,0,0,0,1|1,0,0]=3 2885 B10R0.93 OC(=O)C(O)CC(O)C(O)=O Amb18645944 [0,1,0,0,0,1|0,0,0]=2 2886 B10R0.93 OC(=O)C(S)CC(S)C(O)=O Amb25384913 [0,1,0,0,0,1|0,1,0]=3 2887 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,1,0,0,0,1|1,0,0]=3 2888 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,1,0,0,0,1|1,0,0]=3 2889 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,1,0,0,0,1|1,0,0]=3 2890 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,1,0,0,0,1|1,0,0]=3 2891 B10R0.93 OC(=O)[C@H](O)C[C@@H](O)C(O)=O Amb25386296 [0,1,0,0,0,1|0,0,0]=2 2892 B10R0.93 OC(=O)[C@H](S)C[C@@H](S)C(O)=O Amb25386192 [0,1,0,0,0,1|0,1,0]=3 2893 B10R0.93 OC(C(=O)O)CC(=O)C(=O)O Amb17615458 [0,1,0,0,0,1|0,0,0]=2 2894 B10R0.93 OC(SC(O)C(O)=O)C(O)=O Amb17772308 [0,1,0,0,0,1|0,0,0]=2 2895 B10R0.93 O[C@H](CC(=O)C(O)=O)C(O)=O Amb25383809 [0,1,0,0,0,1|0,0,0]=2 2896 B10R0.93 [NH3+]C(CC(O)C(O)=O)C([O-])=O Amb25385683 [0,1,0,0,0,1|0,0,1]=3 2897 B10R0.31 OC(=O)CN(O)CP(O)(O)=O Amb25386226 [0,1,0,0,0,1|2,0,0]=4 2898 B10R0.44 CC(=O)NC(C)CC(=O)OC Amb25383511 [0,1,0,0,0,1|2,0,0]=4 2899 B10R0.44 CC(=O)N[C@@H](C)CC(=O)OC Amb25383526 [0,1,0,0,0,1|2,0,0]=4 2900 B10R0.44 CC(=O)N[C@H](C)CC(=O)OC Amb25383524 [0,1,0,0,0,1|2,0,0]=4 2901 B10R0.44 CC(=O)\C=C(/O)\CC(=O)OC Amb24765282 [0,1,0,0,0,1|1,0,1]=4 2902 B10R0.44 CC(C)=CC(O)CC(=O)OC Amb25386130 [0,1,0,0,0,1|2,0,0]=4 2903 B10R0.44 CC(CC(O)=O)NC(=O)CN Amb19010286 [0,1,0,0,0,1|2,0,0]=4 2904 B10R0.44 CCC(=O)C\C(\O)=C\C(O)=O Amb24765013 [0,1,0,0,0,1|1,0,1]=4 2905 B10R0.44 CNC(=O)CC(C)CC(O)=O Amb19035066 [0,1,0,0,0,1|2,0,0]=4 2906 B10R0.44 CNC(=O)NC(C)CC(O)=O Amb18290552 [0,1,0,0,0,1|2,0,0]=4 2907 B10R0.44 COC(=O)C\C(\Cl)=C/C(O)=O Amb25384860 [0,1,0,0,0,1|1,0,1]=4 2908 B10R0.44 COC(=O)NC(=O)CC(O)=O Amb25835485 [0,1,0,0,0,1|0,0,2]=4 2909 B10R0.44 COC(=O)NC(C)CC(N)=O Amb24764840 [0,1,0,0,0,1|2,0,0]=4 2910 B10R0.44 C\C(\CC(=O)OC)=C\C(O)=O Amb25385158 [0,1,0,0,0,1|1,0,1]=4 2911 B10R0.70 C#CC(CC(O)=O)CC(O)=O Amb25385016 [0,1,0,0,0,1|1,0,0]=3 2912 B10R0.70 CC(=O)C\C(\CC(O)=O)=N\O Amb25382150 [0,1,0,0,0,1|1,0,1]=4 2913 B10R0.70 CC(=O)NC(CC(O)=O)CC Amb25384609 [0,1,0,0,0,1|2,0,0]=4 2914 B10R0.70 CC(=O)NC(CC(O)=O)CN Amb18645288 [0,1,0,0,0,1|2,0,0]=4 2915 B10R0.70 CC(=O)NC(CC(O)=O)CO Amb25386029 [0,1,0,0,0,1|1,0,0]=3 2916 B10R0.70 CC(=O)N[C@H](CC(O)=O)CC Amb25383139 [0,1,0,0,0,1|2,0,0]=4 2917 B10R0.70 CC(=O)OC(CC(O)=O)CBr Amb22490939 [0,1,0,0,0,1|2,0,0]=4 2918 B10R0.70 CC(=O)O[C@@H](CC(O)=O)CBr Amb22748249 [0,1,0,0,0,1|2,0,0]=4 2919 B10R0.70 CNN(CC(O)=O)CC(O)=O Amb24101394 [0,1,0,0,0,1|2,0,0]=4 2920 B10R0.70 ON=C(CC(O)=O)CC(O)=O Amb25384880 [0,1,0,0,0,1|0,0,1]=3 2921 B10R0.165 CC(=O)NC(C)(C)CC(O)=O Amb22360340 [0,1,0,0,0,1|2,0,0]=4 2922 B10R0.165 CC(=O)OC(Cl)(Cl)CC(O)=O Amb22466656 [0,1,0,0,0,1|2,0,0]=4 2923 B10R0.165 CC(C)(CC(O)=O)CC(N)=O Amb18315614 [0,1,0,0,0,1|2,0,0]=4 2924 B10R0.165 CC(O)(CC(N)=O)CC(N)=O Amb24766261 [0,1,0,0,0,1|2,0,0]=4 2925 B10R0.165 CC(O)(CC(O)=O)CC(N)=O Amb18126280 [0,1,0,0,0,1|1,0,0]=3 2926 B10R0.165 CC(O)(CC(O)=O)C[N+]([O-])=O Amb24754810 [0,1,0,0,0,1|1,0,1]=4 2927 B10R0.165 OC(=O)CC(CC(=O)O)(F)F Amb1149070 [0,1,0,0,0,1|1,0,0]=3 2928 B10R0.14 CC(N)(CC(O)=O)P(C)(O)=O Amb25356744 [0,2,0,0,0,0|2,0,0]=4 2929 B10R0.14 CC(N)(CC(O)=O)P(O)(O)=O Amb24711371 [0,2,0,0,0,0|2,0,0]=4 2930 B10R0.52 COC(=O)C[C@H](N)P(O)(O)=O Amb25381973 [0,2,0,0,0,0|2,0,0]=4 2931 B10R0.52 ONC(=O)CC(O)P(O)(O)=O Amb24502008 [0,2,0,0,0,0|1,0,0]=3 2932 B10R0.63 CCP(O)(=O)C(C)CC(O)=O Amb25385159 [0,2,0,0,0,0|2,0,0]=4 2933 B10R0.138 CCC(CC(O)=O)S(O)(=O)=O Amb25386032 [0,2,0,0,0,0|2,0,0]=4 2934 B10R0.138 COC(CC(O)=O)P(O)(O)=O Amb25385963 [0,2,0,0,0,0|1,0,0]=3 2935 B10R0.154 N[C@H]([C@@H](N)C(O)=O)P(O)(O)=O Amb24701606 [0,2,0,0,0,0|2,0,0]=4 2936 B10R0.47 CC(O)(CC(O)CO)C(O)=O Amb25385834 [0,2,0,0,0,0|0,0,2]=4 2937 B10R0.47 CCC(=O)CC(C)(O)C(O)=O Amb25385151 [0,2,0,0,0,0|1,0,0]=3 2938 B10R0.47 CNC(=O)CC(C)(C)C(O)=O Amb24707522 [0,2,0,0,0,0|2,0,0]=4 2939 B10R0.47 COC(=O)CC(C(=O)O)(C)C Amb16232093 [0,2,0,0,0,0|1,0,0]=3 2940 B10R0.47 COC(=O)CC(C)(N)C(O)=O Amb25383846 [0,2,0,0,0,0|1,0,0]=3 2941 B10R0.47 COC(=O)CC(C)(O)C(O)=O Amb25385756 [0,2,0,0,0,0|0,0,0]=2 2942 B10R0.47 COC(=O)C[C@@](C)(N)C(O)=O Amb25383988 [0,2,0,0,0,0|1,0,0]=3 2943 B10R0.47 COC(=O)NC(C)(C)C(O)=O Amb18974085 [0,2,0,0,0,0|2,0,0]=4 2944 B10R0.47 COC(C)CC(C)(O)C(O)=O Amb25384278 [0,2,0,0,0,0|1,0,1]=4 2945 B10R0.47 C\C(\CC(C)(C)C(O)=O)=N/O Amb24487810 [0,2,0,0,0,0|2,0,0]=4 2946 B10R0.47 C\C(\CC(C)(O)C(O)=O)=C\C Amb24419952 [0,2,0,0,0,0|2,0,0]=4 2947 B10R0.117 CC(=O)C(C)(C)C(C)C(O)=O Amb25216922 [0,2,0,0,0,0|2,0,0]=4 2948 B10R0.117 CC(=O)C(C)C(C)(O)C(O)=O Amb24513741 [0,2,0,0,0,0|1,0,0]=3 2949 B10R0.117 CC(C(O)=O)C(C)(C)C(N)=O Amb24366530 [0,2,0,0,0,0|2,0,0]=4 2950 B10R0.117 CC(C(O)=O)C(C)(C)C(O)=O Amb18126238 [0,2,0,0,0,0|1,0,0]=3 2951 B10R0.117 CC(C(O)=O)C(C)(O)C(O)=O Amb18126313 [0,2,0,0,0,0|0,0,0]=2 2952 B10R0.117 CC(C)(C(Br)C(O)=O)C(O)=O Amb25089525 [0,2,0,0,0,0|1,0,0]=3 2953 B10R0.117 CC(C)(C(Cl)C(O)=O)C(O)=O Amb24426116 [0,2,0,0,0,0|1,0,0]=3 2954 B10R0.117 CC(C)(C(N)C(O)=O)S(O)=O Amb24487834 [0,2,0,0,0,0|2,0,0]=4 2955 B10R0.117 CC(C)(C(O)C(O)=O)C(O)=O Amb18126316 [0,2,0,0,0,0|0,0,0]=2 2956 B10R0.117 CC(C)([C@@H](N)C(O)=O)S(O)=O Amb24080020 [0,2,0,0,0,0|2,0,0]=4 2957 B10R0.117 CC(C)([C@@H](O)C(O)=O)C(O)=O Amb25737704 [0,2,0,0,0,0|0,0,0]=2 2958 B10R0.117 CC(Cl)(C(O)C(O)=O)C(O)=O Amb24373174 [0,2,0,0,0,0|0,0,0]=2 2959 B10R0.117 CC(N)(C(O)C(O)=O)C(O)=O Amb24443031 [0,2,0,0,0,0|0,0,0]=2 2960 B10R0.117 CC(O)(C(Cl)C(O)=O)C(O)=O Amb25362209 [0,2,0,0,0,0|0,0,0]=2 2961 B10R0.117 CC(O)(C(O)C(O)=O)C(O)=O Amb24390843 [0,2,0,0,0,0|0,0,0]=2 2962 B10R0.117 C[C@@](O)([C@H](N)C(O)=O)C(O)=O Amb24621926 [0,2,0,0,0,0|0,0,0]=2 2963 B10R0.117 C[C@H](C(O)=O)C(C)(C)C(O)=O Amb25765664 [0,2,0,0,0,0|1,0,0]=3 2964 B10R0.117 C[C@](O)([C@@H](O)C(O)=O)C(O)=O Amb25060701 [0,2,0,0,0,0|0,0,0]=2 2965 B10R0.117 NC(=O)C(F)(F)C(N)C(O)=O Amb24739799 [0,2,0,0,0,0|2,0,0]=4 2966 B10R0.117 NC(C(O)=O)C(F)(F)C(O)=O Amb24558165 [0,2,0,0,0,0|1,0,0]=3 2967 B10R0.117 OC(=O)C(F)(F)C(F)C(O)=O Amb19887297 [0,2,0,0,0,0|1,0,0]=3 2968 B10R0.117 O[C@@H](C(O)=O)C(F)(F)C(O)=O Amb25060758 [0,2,0,0,0,0|0,0,0]=2 2969 B10R0.119 CC(=O)CC(C)(C=C)C(O)=O Amb25385243 [0,2,0,0,0,0|2,0,0]=4 2970 B10R0.119 CC(=O)NC(C)(CO)C(O)=O Amb25101618 [0,2,0,0,0,0|2,0,0]=4 2971 B10R0.119 CC(CC(O)=O)(C=N)C(O)=O Amb24754814 [0,2,0,0,0,0|1,0,0]=3 2972 B10R0.119 CC(CN)(CC(O)=O)C(O)=O Amb22546424 [0,2,0,0,0,0|1,0,0]=3 2973 B10R0.119 CCC(C)(CC(O)=O)C(O)=O Amb17776967 [0,2,0,0,0,0|1,0,0]=3 2974 B10R0.119 N#CC(O)(CC(O)=O)C(O)=O Amb25772561 [0,2,0,0,0,0|0,0,0]=2 2975 B10R0.119 OC(=O)[C@@](O)(CCl)CC(O)=O Amb25386233 [0,2,0,0,0,0|0,0,0]=2 2976 B10R0.119 OC(=O)[C@](O)(CCl)CC(O)=O Amb24767144 [0,2,0,0,0,0|0,0,0]=2 2977 B10R0.141 CC(=C)CC(C)(O)C(=O)CO Amb25384012 [0,2,0,0,0,0|2,0,0]=4 2978 B10R0.141 CC(=C)C[C@@](C)(O)C(=O)CO Amb24766621 [0,2,0,0,0,0|2,0,0]=4 2979 B10R0.141 CC(=O)CC(C)(C)C(=O)OC Amb24763071 [0,2,0,0,0,0|2,0,0]=4 2980 B10R0.141 CC(=O)CC(C)(O)C(=O)CC Amb25384037 [0,2,0,0,0,0|2,0,0]=4 2981 B10R0.141 CC(=O)CC(C)(O)C(=O)OC Amb25383610 [0,2,0,0,0,0|1,0,0]=3 2982 B10R0.141 CC(=O)NC(C)(O)C(=O)OC Amb25311212 [0,2,0,0,0,0|2,0,0]=4 2983 B10R0.141 CC(CO)C(C)(O)CC(O)=O Amb25381504 [0,2,0,0,0,0|1,0,1]=4 2984 B10R0.141 CC(O)(CC(=C)Cl)C(=O)CO Amb25383615 [0,2,0,0,0,0|2,0,0]=4 2985 B10R0.141 CC(O)(CC(O)=O)C(=C)CO Amb25382122 [0,2,0,0,0,0|1,0,0]=3 2986 B10R0.141 CCC(=O)C(C)(C)CC(O)=O Amb25384910 [0,2,0,0,0,0|2,0,0]=4 2987 B10R0.141 CCC(=O)C(C)(O)CC(=C)O Amb25383927 [0,2,0,0,0,0|2,0,0]=4 2988 B10R0.141 CCC(=O)[C@](C)(O)CC(=C)O Amb24765136 [0,2,0,0,0,0|2,0,0]=4 2989 B10R0.141 CNC(=O)C(C)(C)CC(O)=O Amb25032544 [0,2,0,0,0,0|2,0,0]=4 2990 B10R0.141 COC(=O)C(C)(C)CC([O-])=O Amb22227975 [0,2,0,0,0,0|1,0,1]=4 2991 B10R0.141 COC(=O)C(C)(O)CC(O)=O Amb25384595 [0,2,0,0,0,0|0,0,0]=2 2992 B10R0.141 COC(=O)C(CC(=O)O)(C)C Amb16232092 [0,2,0,0,0,0|1,0,0]=3 2993 B10R0.141 COC(=O)C(F)(F)CC(O)=O Amb25385023 [0,2,0,0,0,0|1,0,0]=3 2994 B10R0.141 C[C@@](O)(CC(O)=O)[C@H](O)CO Amb25385964 [0,2,0,0,0,0|0,0,2]=4 2995 B10R0.163 CC(N)(CS(O)(=O)=O)C(O)=O Amb24391706 [0,2,0,0,0,0|2,0,0]=4 2996 B10R0.163 CC(O)(CP(O)(O)=O)C(O)=O Amb24426255 [0,2,0,0,0,0|1,0,0]=3 2997 B10R0.163 C[C@@](N)(CS(O)(=O)=O)C(O)=O Amb24557800 [0,2,0,0,0,0|2,0,0]=4 2998 B10R0.163 C[C@](N)(CS(O)(=O)=O)C(O)=O Amb25321680 [0,2,0,0,0,0|2,0,0]=4 2999 B10R0.32 CC(=O)NC(O)C(=O)OCC Amb22832016 [0,2,0,0,0,0|2,0,0]=4 3000 B10R0.32 CCNC(=O)C(N)CC(O)=O Amb18224398 [0,2,0,0,0,0|2,0,0]=4 3001 B10R0.32 CCNC(=O)[C@H](N)CC(O)=O Amb25383949 [0,2,0,0,0,0|2,0,0]=4 3002 B10R0.32 CCOC(=O)C(=C)CC(O)=O Amb24086592 [0,2,0,0,0,0|1,0,1]=4 3003 B10R0.32 CCOC(=O)C(=O)CC(O)=O Amb22755047 [0,2,0,0,0,0|0,0,2]=4 3004 B10R0.32 CCOC(=O)[C@@H](N)CC(O)=O Amb22745898 [0,2,0,0,0,0|1,0,0]=3 3005 B10R0.32 COCC(=O)N(CC(=O)O)C Amb1120074 [0,2,0,0,0,0|2,0,0]=4 3006 B10R0.37 COC(=O)[C@@H](N)CS(O)(=O)=O Amb24764686 [0,2,0,0,0,0|2,0,0]=4 3007 B10R0.46 CC(=CC)C(O)CC(=O)OC Amb25386076 [0,2,0,0,0,0|2,0,0]=4 3008 B10R0.46 CNC(=O)CC(C)C(=O)OC Amb24762510 [0,2,0,0,0,0|2,0,0]=4 3009 B10R0.46 CNC(=O)NC(O)C(=O)OC Amb25054616 [0,2,0,0,0,0|2,0,0]=4 3010 B10R0.46 COC(=O)C(=O)CC(=O)OC Amb22490417 [0,2,0,0,0,0|0,0,2]=4 3011 B10R0.46 COC(=O)C(C)NC(=O)NO Amb24451444 [0,2,0,0,0,0|2,0,0]=4 3012 B10R0.46 COC(=O)C(O)NC(=O)C=C Amb24765407 [0,2,0,0,0,0|2,0,0]=4 3013 B10R0.46 COC(=O)CC(C)C(=O)NO Amb25382723 [0,2,0,0,0,0|1,0,0]=3 3014 B10R0.46 COC(=O)CC(C)C(=O)OC Amb21964553 [0,2,0,0,0,0|1,0,0]=3 3015 B10R0.46 COC(=O)CC(N)C(=O)OC Amb18126274 [0,2,0,0,0,0|1,0,0]=3 3016 B10R0.46 COC(=O)C[C@@H](Br)C(=O)OC Amb22747395 [0,2,0,0,0,0|1,0,0]=3 3017 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC Amb19372612 [0,2,0,0,0,0|1,0,0]=3 3018 B10R0.46 COC(=O)C[C@H](C(=O)OC)C Amb15692786 [0,2,0,0,0,0|1,0,0]=3 3019 B10R0.46 COC(=O)C[C@H](C(=O)OC)N Amb16183880 [0,2,0,0,0,0|1,0,0]=3 3020 B10R0.46 COC(=O)C[C@H](C)C(=O)OC Amb22226743 [0,2,0,0,0,0|1,0,0]=3 3021 B10R0.46 COC(=O)NC(C)C(=O)OC Amb18800493 [0,2,0,0,0,0|2,0,0]=4 3022 B10R0.46 COC(=O)NC(O)C(=O)OC Amb25383547 [0,2,0,0,0,0|1,0,0]=3 3023 B10R0.46 COC(=O)N[C@@H](C)C(=O)NO Amb24612508 [0,2,0,0,0,0|2,0,0]=4 3024 B10R0.46 COC(=O)N[C@@H](C)C(=O)OC Amb25385806 [0,2,0,0,0,0|2,0,0]=4 3025 B10R0.46 COC(=O)N[C@H](C)C(=O)OC Amb24766544 [0,2,0,0,0,0|2,0,0]=4 3026 B10R0.46 COC(=O)[C@H](C)NC(=O)CO Amb25382729 [0,2,0,0,0,0|2,0,0]=4 3027 B10R0.46 NNC(=O)C[C@H](O)C(=O)NN Amb25149571 [0,2,0,0,0,0|2,0,0]=4 3028 B10R0.46 OC(=NO)C(O)CC(O)=NO Amb25187877 [0,2,0,0,0,0|0,0,2]=4 3029 B10R0.46 [NH4]OC(=O)CC(O)C(=O)O[NH4] Amb22359601 [0,2,0,0,0,0|0,0,0]=2 3030 B10R0.54 CC(=O)CC(C#N)C(=O)OC Amb18125822 [0,2,0,0,0,0|2,0,0]=4 3031 B10R0.54 CC(=O)NC(OC)C(=O)OC Amb25385810 [0,2,0,0,0,0|2,0,0]=4 3032 B10R0.54 CC(=O)N[C@@H](CO)C(=O)OC Amb22746936 [0,2,0,0,0,0|2,0,0]=4 3033 B10R0.54 CC(=O)N[C@H](CO)C(=O)OC Amb25384623 [0,2,0,0,0,0|2,0,0]=4 3034 B10R0.54 CC=C(CC(O)=O)C(=O)OC Amb25386434 [0,2,0,0,0,0|1,0,1]=4 3035 B10R0.54 CNC(=O)C(CC(O)=O)OC Amb23536084 [0,2,0,0,0,0|1,0,0]=3 3036 B10R0.54 COC(=O)C(CC(O)=O)=CCl Amb25384836 [0,2,0,0,0,0|1,0,1]=4 3037 B10R0.54 COC(CC(O)=O)C(=O)OC Amb23536076 [0,2,0,0,0,0|0,0,0]=2 3038 B10R0.54 COC(NC(N)=O)C(=O)OC Amb24764679 [0,2,0,0,0,0|2,0,0]=4 3039 B10R0.54 [C-]#[N+]C(CC(C)=O)C(=O)OC Amb19928639 [0,2,0,0,0,0|2,0,0]=4 3040 B10R0.56 CC(=C)C(O)C(C)C(=O)OC Amb25380221 [0,2,0,0,0,0|2,0,0]=4 3041 B10R0.56 CC(=C)[C@@H](C)[C@H](O)C(=O)OC Amb25386104 [0,2,0,0,0,0|2,0,0]=4 3042 B10R0.56 CC(=C)[C@H](C)[C@H](O)C(=O)OC Amb25386105 [0,2,0,0,0,0|2,0,0]=4 3043 B10R0.56 CC(=O)C(C)C(N)C(=O)OC Amb25385594 [0,2,0,0,0,0|2,0,0]=4 3044 B10R0.56 CC(=O)C(O)C(C)C(=O)OC Amb24765450 [0,2,0,0,0,0|1,0,0]=3 3045 B10R0.56 CC(=O)C(O)C(O)C(=O)C=O Amb18126230 [0,2,0,0,0,0|1,0,1]=4 3046 B10R0.56 CC(=O)C(O)C(O)C(=O)CO Amb24766922 [0,2,0,0,0,0|1,0,0]=3 3047 B10R0.56 CC(=O)C(O)C(O)C(O)C=O Amb25384019 [0,2,0,0,0,0|1,0,1]=4 3048 B10R0.56 CC(=O)[C@@H](C)[C@H](C)C(=O)OC Amb24766906 [0,2,0,0,0,0|2,0,0]=4 3049 B10R0.56 CC(=O)[C@@H](O)[C@H](O)C(=O)C=O Amb25385910 [0,2,0,0,0,0|1,0,1]=4 3050 B10R0.56 CC(=O)[C@@H](O)[C@H](O)C(=O)CO Amb24766744 [0,2,0,0,0,0|1,0,0]=3 3051 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25384641 [0,2,0,0,0,0|1,0,1]=4 3052 B10R0.56 CC(=O)[C@H](O)[C@H](O)[C@@H](O)C=O Amb25385729 [0,2,0,0,0,0|1,0,1]=4 3053 B10R0.56 CC(C(C)C(=O)OC)C(O)=O Amb18126244 [0,2,0,0,0,0|1,0,0]=3 3054 B10R0.56 CC(C(N)C(O)=O)C(=O)CC Amb25384577 [0,2,0,0,0,0|2,0,0]=4 3055 B10R0.56 CC(C(O)C(=O)OC)[N+]([O-])=O Amb25384272 [0,2,0,0,0,0|1,0,1]=4 3056 B10R0.56 CC(C(O)C(C)C=O)C(O)=O Amb25385690 [0,2,0,0,0,0|1,0,1]=4 3057 B10R0.56 CC(C(O)C(C)CO)C(O)=O Amb25385688 [0,2,0,0,0,0|1,0,1]=4 3058 B10R0.56 CC(O)C(O)C(O)C(=O)CO Amb25384023 [0,2,0,0,0,0|1,0,1]=4 3059 B10R0.56 CC(OC)C(O)C(N)C(O)=O Amb24762947 [0,2,0,0,0,0|1,0,1]=4 3060 B10R0.56 CNC(=O)C(S)C(S)C(O)=O Amb24635736 [0,2,0,0,0,0|1,1,0]=4 3061 B10R0.56 CNC(=O)[C@H](O)[C@@H](N)C(O)=O Amb25139365 [0,2,0,0,0,0|1,0,0]=3 3062 B10R0.56 COC(=O)C(N)C(O)C(O)=O Amb25386035 [0,2,0,0,0,0|0,0,0]=2 3063 B10R0.56 COC(=O)C(O)C(N)C(O)=O Amb18645752 [0,2,0,0,0,0|0,0,0]=2 3064 B10R0.56 COC(=O)C(O)C(O)C(N)=O Amb25385692 [0,2,0,0,0,0|1,0,0]=3 3065 B10R0.56 COC(=O)C(O)C(O)C(O)=O Amb25384902 [0,2,0,0,0,0|0,0,0]=2 3066 B10R0.56 COC(=O)N(C)C(C)C(O)=O Amb18299738 [0,2,0,0,0,0|2,0,0]=4 3067 B10R0.56 COC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb25386184 [0,2,0,0,0,0|0,0,0]=2 3068 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(O)=O Amb24764738 [0,2,0,0,0,0|0,0,0]=2 3069 B10R0.56 COC(=O)[C@@H](S)[C@@H](S)C(O)=O Amb25385027 [0,2,0,0,0,0|0,1,0]=3 3070 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(O)=O Amb24763072 [0,2,0,0,0,0|0,0,0]=2 3071 B10R0.56 COC(=O)[C@H](O)[C@H](O)C(O)=O Amb25384903 [0,2,0,0,0,0|0,0,0]=2 3072 B10R0.56 COC(C)C(C)C(O)C(O)=O Amb25381942 [0,2,0,0,0,0|1,0,1]=4 3073 B10R0.56 COC(C)C(O)C(C)C(O)=O Amb25385684 [0,2,0,0,0,0|1,0,1]=4 3074 B10R0.56 CO[C@H](C)[C@@H](O)C(C)C(O)=O Amb25381513 [0,2,0,0,0,0|1,0,1]=4 3075 B10R0.56 C[C@@H]([C@@H](N)C(=O)OC)C(O)=O Amb25384959 [0,2,0,0,0,0|1,0,0]=3 3076 B10R0.56 C[C@@H]([C@H](O)[C@@H](C)CO)C(O)=O Amb25385250 [0,2,0,0,0,0|1,0,1]=4 3077 B10R0.56 C[C@H](C(C)C(=O)OC)C(O)=O Amb25382125 [0,2,0,0,0,0|1,0,0]=3 3078 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)NO Amb25734162 [0,2,0,0,0,0|1,0,1]=4 3079 B10R0.56 C[C@H]([C@@H](C)C(=O)OC)C(O)=O Amb25382126 [0,2,0,0,0,0|1,0,0]=3 3080 B10R0.56 C\C(=C/C)\[C@H](O)[C@H](C)C(O)=O Amb25858129 [0,2,0,0,0,0|2,0,0]=4 3081 B10R0.56 NC(=O)[C@H](O)[C@@H](O)C(=O)NO Amb24554069 [0,2,0,0,0,0|1,0,0]=3 3082 B10R0.56 NC(C(O)C(O)=O)C(=O)NO Amb25137237 [0,2,0,0,0,0|0,0,0]=2 3083 B10R0.56 NC(C(O)C(O)CO)C(O)=O Amb25386025 [0,2,0,0,0,0|0,0,2]=4 3084 B10R0.56 NC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O Amb25385021 [0,2,0,0,0,0|1,0,1]=4 3085 B10R0.56 NC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb25385020 [0,2,0,0,0,0|1,0,1]=4 3086 B10R0.56 N[C@@H]([C@@H](O)[C@H](O)CBr)C(O)=O Amb24765482 [0,2,0,0,0,0|1,0,1]=4 3087 B10R0.56 N[C@H]([C@@H](O)[C@@H](O)CO)C(O)=O Amb25385164 [0,2,0,0,0,0|0,0,2]=4 3088 B10R0.56 N[C@H]([C@H](O)C(O)=O)C(=O)NO Amb25320870 [0,2,0,0,0,0|0,0,0]=2 3089 B10R0.56 N[C@H]([C@H](O)[C@H](O)CO)C(O)=O Amb25384850 [0,2,0,0,0,0|0,0,2]=4 3090 B10R0.56 OC(=O)C(O)=C(O)C(=O)CO Amb24692818 [0,2,0,0,0,0|0,0,2]=4 3091 B10R0.56 OC(=O)C(O)C(O)C(=O)CO Amb25386045 [0,2,0,0,0,0|0,0,0]=2 3092 B10R0.56 OC(=O)[C@H](O)[C@H](O)C(=O)CO Amb25384320 [0,2,0,0,0,0|0,0,0]=2 3093 B10R0.56 OC(C=O)C(O)C(O)C(O)=O Amb25386026 [0,2,0,0,0,0|0,0,1]=3 3094 B10R0.56 OCC(O)C(O)C(O)C(O)=O Amb17939854 [0,2,0,0,0,0|0,0,2]=4 3095 B10R0.56 OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25379509 [0,2,0,0,0,0|0,0,2]=4 3096 B10R0.56 OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O Amb22233142 [0,2,0,0,0,0|0,0,2]=4 3097 B10R0.56 OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb22746788 [0,2,0,0,0,0|0,0,2]=4 3098 B10R0.56 OC[C@H](O)[C@@H](O)[C@H](O)C(O)=O Amb25386283 [0,2,0,0,0,0|0,0,2]=4 3099 B10R0.56 OC[C@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24764799 [0,2,0,0,0,0|0,0,2]=4 3100 B10R0.56 OC[C@H]([C@@H]([C@H](C(=O)O)O)O)O Amb17621325 [0,2,0,0,0,0|0,0,2]=4 3101 B10R0.56 OC[C@H]([C@H]([C@@H](C(=O)O)O)O)O Amb17610431 [0,2,0,0,0,0|0,0,2]=4 3102 B10R0.56 O[C@@H](C=O)[C@H](O)[C@H](O)C(O)=O Amb25382134 [0,2,0,0,0,0|0,0,1]=3 3103 B10R0.56 O[C@H](C=O)[C@@H](O)[C@H](O)C(O)=O Amb25384908 [0,2,0,0,0,0|0,0,1]=3 3104 B10R0.56 O[C@H](C=O)[C@H](O)[C@H](O)C(O)=O Amb25386191 [0,2,0,0,0,0|0,0,1]=3 3105 B10R0.23 C=NNC(CC(O)=O)C(O)=O Amb24070182 [0,2,0,0,0,0|1,0,0]=3 3106 B10R0.23 CC(=C)C(CC(O)=O)OCC Amb20667844 [0,2,0,0,0,0|2,0,0]=4 3107 B10R0.23 CC(=O)C(CC(O)=O)N=[N+]=[N-] Amb24762776 [0,2,0,0,0,0|2,0,0]=4 3108 B10R0.23 CC(=O)C(CC(O)=O)NCC Amb18608416 [0,2,0,0,0,0|2,0,0]=4 3109 B10R0.23 CC(=O)NC(CNO)C(O)=O Amb25381561 [0,2,0,0,0,0|2,0,0]=4 3110 B10R0.23 CC(=O)NC(OCC)C(O)=O Amb24092463 [0,2,0,0,0,0|2,0,0]=4 3111 B10R0.23 CCNC(CC(N)=O)C(O)=O Amb18645286 [0,2,0,0,0,0|2,0,0]=4 3112 B10R0.23 CCO\C(=C/C(O)=O)\C(O)=O Amb18126229 [0,2,0,0,0,0|0,0,2]=4 3113 B10R0.23 COCC(NC(N)=O)C(O)=O Amb25385165 [0,2,0,0,0,0|2,0,0]=4 3114 B10R0.23 COC[C@@H](NC(=O)Cl)C(O)=O Amb25385855 [0,2,0,0,0,0|2,0,0]=4 3115 B10R0.23 NC(=O)CC(NC=O)C(O)=O Amb18304872 [0,2,0,0,0,0|1,0,1]=4 3116 B10R0.23 NC(=O)C[C@@H](NC=O)C(O)=O Amb24750652 [0,2,0,0,0,0|1,0,1]=4 3117 B10R0.23 NC(=O)C[C@H](NC=O)C(O)=O Amb24750389 [0,2,0,0,0,0|1,0,1]=4 3118 B10R0.23 NC(=O)NC(CCO)C(O)=O Amb18305492 [0,2,0,0,0,0|2,0,0]=4 3119 B10R0.23 NC(=O)N[C@H](CCO)C(O)=O Amb25383714 [0,2,0,0,0,0|2,0,0]=4 3120 B10R0.23 NCCC(NC(O)=O)C(O)=O Amb24091186 [0,2,0,0,0,0|2,0,0]=4 3121 B10R0.23 O=CN[C@H](C(=O)O)CC(=O)O Amb16232029 [0,2,0,0,0,0|0,0,1]=3 3122 B10R0.23 OC(=O)[C@@H](CC(O)=O)NC=O Amb22746431 [0,2,0,0,0,0|0,0,1]=3 3123 B10R0.23 OCCC(=CC(O)=O)C(O)=O Amb25386399 [0,2,0,0,0,0|0,0,2]=4 3124 B10R0.53 C#CC(=O)N[C@@H](CO)C(O)=O Amb18791796 [0,2,0,0,0,0|2,0,0]=4 3125 B10R0.53 C#CC(=O)N[C@H](CO)C(O)=O Amb24411814 [0,2,0,0,0,0|2,0,0]=4 3126 B10R0.53 C=CC(=O)N[C@@H](CO)C(O)=O Amb18792057 [0,2,0,0,0,0|2,0,0]=4 3127 B10R0.53 CCC(=O)N[C@@H](CO)C(O)=O Amb18179994 [0,2,0,0,0,0|2,0,0]=4 3128 B10R0.53 CCC(NC(=O)CO)C(O)=O Amb25383938 [0,2,0,0,0,0|2,0,0]=4 3129 B10R0.53 CC[C@@H](NC(=O)OC)C(O)=O Amb25386298 [0,2,0,0,0,0|2,0,0]=4 3130 B10R0.53 CC[C@H](NC(=O)OC)C(O)=O Amb24068267 [0,2,0,0,0,0|2,0,0]=4 3131 B10R0.53 CNC(=O)NC(CO)C(O)=O Amb18290471 [0,2,0,0,0,0|2,0,0]=4 3132 B10R0.53 CNC(=O)N[C@@H](CO)C(O)=O Amb18180043 [0,2,0,0,0,0|2,0,0]=4 3133 B10R0.53 CNC(=O)N[C@H](CO)C(O)=O Amb25717039 [0,2,0,0,0,0|2,0,0]=4 3134 B10R0.53 COC(=O)NC(C=C)C(O)=O Amb18126176 [0,2,0,0,0,0|2,0,0]=4 3135 B10R0.53 COC(=O)N[C@@H](C=C)C(O)=O Amb25384859 [0,2,0,0,0,0|2,0,0]=4 3136 B10R0.53 COC(=O)N[C@@H](CF)C(O)=O Amb25383905 [0,2,0,0,0,0|2,0,0]=4 3137 B10R0.53 COC(=O)N[C@@H](CO)C(O)=O Amb18792462 [0,2,0,0,0,0|1,0,0]=3 3138 B10R0.53 COC(=O)N[C@H](C=C)C(O)=O Amb25384954 [0,2,0,0,0,0|2,0,0]=4 3139 B10R0.53 COC(NC(=O)C=C)C(O)=O Amb25382135 [0,2,0,0,0,0|2,0,0]=4 3140 B10R0.53 COC(NC(=O)OC)C(N)=O Amb24764691 [0,2,0,0,0,0|2,0,0]=4 3141 B10R0.53 COC(NC(=O)OC)C(O)=O Amb24095825 [0,2,0,0,0,0|1,0,0]=3 3142 B10R0.53 NCC(=O)N[C@@H](CO)C(O)=O Amb18180042 [0,2,0,0,0,0|2,0,0]=4 3143 B10R0.53 NCC(=O)N[C@H](CO)C(O)=O Amb22230741 [0,2,0,0,0,0|2,0,0]=4 3144 B10R0.53 OCC(C(=O)O)NC(=O)CC Amb1120603 [0,2,0,0,0,0|2,0,0]=4 3145 B10R0.76 CC(=O)C(C)C(CC)C(O)=O Amb25385211 [0,2,0,0,0,0|2,0,0]=4 3146 B10R0.76 CC(=O)N(O)C(CC)C(O)=O Amb24106730 [0,2,0,0,0,0|2,0,0]=4 3147 B10R0.76 CC(C(C#N)C(O)=O)C(O)=O Amb18126038 [0,2,0,0,0,0|1,0,0]=3 3148 B10R0.76 CC(C(CC)C(O)=O)C(O)=O Amb18645266 [0,2,0,0,0,0|1,0,0]=3 3149 B10R0.76 CC(O)C(OC)C(N)C(O)=O Amb25384572 [0,2,0,0,0,0|1,0,1]=4 3150 B10R0.76 CC(O)C(OC)C(O)C(O)=O Amb25384571 [0,2,0,0,0,0|1,0,1]=4 3151 B10R0.76 CCC(C(=C)C(O)=O)C(O)=O Amb18644986 [0,2,0,0,0,0|1,0,1]=4 3152 B10R0.76 CCC(C(N)C(O)=O)C(O)=O Amb18126279 [0,2,0,0,0,0|1,0,0]=3 3153 B10R0.76 CCC(C(O)C(O)=O)C(O)=O Amb25386294 [0,2,0,0,0,0|0,0,0]=2 3154 B10R0.76 CC[C@@H]([C@@H](N)C(O)=O)C(O)=O Amb25384074 [0,2,0,0,0,0|1,0,0]=3 3155 B10R0.76 CC[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25384853 [0,2,0,0,0,0|0,0,0]=2 3156 B10R0.76 CC[C@@H]([C@H](N)C(O)=O)C(O)=O Amb25384854 [0,2,0,0,0,0|1,0,0]=3 3157 B10R0.76 CC[C@@H]([C@H](O)C(O)=O)C(O)=O Amb25386189 [0,2,0,0,0,0|0,0,0]=2 3158 B10R0.76 CC[C@H]([C@@H](N)C(O)=O)C(O)=O Amb25384075 [0,2,0,0,0,0|1,0,0]=3 3159 B10R0.76 CC[C@H]([C@H](O)C(O)=O)C(O)=O Amb25386188 [0,2,0,0,0,0|0,0,0]=2 3160 B10R0.76 CNC(C(F)C(O)=O)C(O)=O Amb25385881 [0,2,0,0,0,0|1,0,0]=3 3161 B10R0.76 CNC(C(O)C(O)=O)C(O)=O Amb25384603 [0,2,0,0,0,0|0,0,0]=2 3162 B10R0.76 CN[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25385032 [0,2,0,0,0,0|0,0,0]=2 3163 B10R0.76 CN[C@@H]([C@H](F)C(O)=O)C(O)=O Amb25385879 [0,2,0,0,0,0|1,0,0]=3 3164 B10R0.76 CN[C@H]([C@@H](F)C(O)=O)C(O)=O Amb25385880 [0,2,0,0,0,0|1,0,0]=3 3165 B10R0.76 COC(C(O)C(O)=O)C(O)=O Amb18126399 [0,2,0,0,0,0|0,0,0]=2 3166 B10R0.76 CO[C@@H]([C@@H](O)C(N)=O)C(N)=O Amb24766223 [0,2,0,0,0,0|2,0,0]=4 3167 B10R0.76 CO[C@@H]([C@H](O)C(N)=O)C(N)=O Amb24766225 [0,2,0,0,0,0|2,0,0]=4 3168 B10R0.76 CO[C@H]([C@@H](O)C(N)=O)C(N)=O Amb24766255 [0,2,0,0,0,0|2,0,0]=4 3169 B10R0.76 CO[C@H]([C@H](O)C(N)=O)C(N)=O Amb24766224 [0,2,0,0,0,0|2,0,0]=4 3170 B10R0.76 CSC(C(O)C(O)=O)C(O)=O Amb25384602 [0,2,0,0,0,0|0,0,0]=2 3171 B10R0.76 CSC([C@H](N)C(O)=O)C(O)=O Amb25385026 [0,2,0,0,0,0|0,1,0]=3 3172 B10R0.76 CS[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25385031 [0,2,0,0,0,0|0,0,0]=2 3173 B10R0.76 C[C@@H]([C@H](NC)C(O)=O)C(O)=O Amb25385166 [0,2,0,0,0,0|1,0,0]=3 3174 B10R0.76 C[C@@H]([C@H](NO)C(O)=O)C(O)=O Amb25384961 [0,2,0,0,0,0|0,0,0]=2 3175 B10R0.76 C[C@H](C(C#N)C(O)=O)C(O)=O Amb24533567 [0,2,0,0,0,0|1,0,0]=3 3176 B10R0.76 C\C=C(\C(C)C(O)=O)/C(O)=O Amb24487821 [0,2,0,0,0,0|1,0,1]=4 3177 B10R0.76 C\C=C(\C(O)C(O)=O)/C(O)=O Amb25125245 [0,2,0,0,0,0|0,0,1]=3 3178 B10R0.76 C\C=C(\[C@@H](O)C(O)=O)/C(O)=O Amb25237640 [0,2,0,0,0,0|0,0,1]=3 3179 B10R0.76 NC(C(CN)C(O)=O)C(O)=O Amb25385681 [0,2,0,0,0,0|1,0,0]=3 3180 B10R0.76 NCC(C(O)C(O)=O)C(O)=O Amb23596978 [0,2,0,0,0,0|0,0,0]=2 3181 B10R0.76 NNC(C(Cl)C(O)=O)C(O)=O Amb25384583 [0,2,0,0,0,0|1,0,0]=3 3182 B10R0.76 N[C@@H](C(CN)C(O)=O)C(O)=O Amb25384089 [0,2,0,0,0,0|1,0,0]=3 3183 B10R0.76 N[C@@H](C(CO)C(O)=O)C(O)=O Amb25384088 [0,2,0,0,0,0|0,0,0]=2 3184 B10R0.95 CP(O)(=O)CC(CN)C(O)=O Amb25386302 [0,2,0,0,0,0|2,0,0]=4 3185 B10R0.95 OC(=O)C(CP(O)(O)=O)NCl Amb25384390 [0,2,0,0,0,0|2,0,0]=4 3186 B10R0.95 OCC(C(=O)O)NS(=O)(=O)O Amb17594775 [0,2,0,0,0,0|2,0,0]=4 3187 B10R0.95 OCC(NP(O)(O)=O)C(O)=O Amb25384863 [0,2,0,0,0,0|2,0,0]=4 3188 B10R0.95 OC[C@H](NP(O)(O)=O)C(O)=O Amb22233132 [0,2,0,0,0,0|2,0,0]=4 3189 B10R0.162 CC(=C)C(CC(O)=O)C(O)=O Amb18644989 [0,2,0,0,0,0|1,0,0]=3 3190 B10R0.162 CC(=C)CC(C(O)=O)C(O)=O Amb18126105 [0,2,0,0,0,0|2,0,0]=4 3191 B10R0.162 CC(=O)CC(C(C)C)C(O)=O Amb25384909 [0,2,0,0,0,0|2,0,0]=4 3192 B10R0.162 CC(=O)C[C@@H](C(C)C)C(O)=O Amb25385755 [0,2,0,0,0,0|2,0,0]=4 3193 B10R0.162 CC(=O)NC(C(=O)O)C(O)C Amb1119285 [0,2,0,0,0,0|2,0,0]=4 3194 B10R0.162 CC(=O)NC([C@@H](C)O)C(O)=O Amb25255466 [0,2,0,0,0,0|2,0,0]=4 3195 B10R0.162 CC(=O)N[C@@H](C(C)O)C(O)=O Amb25697138 [0,2,0,0,0,0|2,0,0]=4 3196 B10R0.162 CC(=O)N[C@H]([C@@H](C)O)C(O)=O Amb25108674 [0,2,0,0,0,0|2,0,0]=4 3197 B10R0.162 CC(=O)N[C@H]([C@H](C)O)C(O)=O Amb24388953 [0,2,0,0,0,0|2,0,0]=4 3198 B10R0.162 CC(C)C(CC(O)=O)C(N)=O Amb25383446 [0,2,0,0,0,0|2,0,0]=4 3199 B10R0.162 CC(C)C(CC(O)=O)C(O)=O Amb18645268 [0,2,0,0,0,0|1,0,0]=3 3200 B10R0.162 CC(O)C(NC(=O)S)C(O)=O Amb25708439 [0,2,0,0,0,0|1,1,0]=4 3201 B10R0.162 CC(O)CC(C(O)=O)C(O)=O Amb25386311 [0,2,0,0,0,0|1,0,1]=4 3202 B10R0.162 CN(C)C(CC(O)=O)C(O)=O Amb18126273 [0,2,0,0,0,0|1,0,0]=3 3203 B10R0.162 CN(C)[C@H](CC(O)=O)C(O)=O Amb25386307 [0,2,0,0,0,0|1,0,0]=3 3204 B10R0.162 C[C@@H](O)[C@H](NC(N)=O)C(O)=O Amb24651146 [0,2,0,0,0,0|2,0,0]=4 3205 B10R0.162 NC(=O)NC(C(=O)O)C(O)C Amb1120831 [0,2,0,0,0,0|2,0,0]=4 3206 B10R0.162 NC(=O)NC(C(O)=O)C(O)=O Amb24407242 [0,2,0,0,0,0|2,0,0]=4 3207 B10R0.162 OC(=O)C(CC(O)=O)=C(Cl)Cl Amb24674717 [0,2,0,0,0,0|1,0,1]=4 3208 B10R0.162 OC(=O)C=C(C(O)=O)C(O)=O Amb24425522 [0,2,0,0,0,0|0,0,2]=4 3209 B10R0.162 [O-][N+](=O)[C@@H](CC(O)=O)C(O)=O Amb24762931 [0,2,0,0,0,0|0,0,1]=3 3210 B10R0.26 CC(C(=O)O)NC(=O)COC Amb1115728 [0,2,0,0,0,0|2,0,0]=4 3211 B10R0.26 CC(NC(=O)OC=C)C(O)=O Amb25385231 [0,2,0,0,0,0|2,0,0]=4 3212 B10R0.26 CCNC(=O)C[C@@H](N)C(O)=O Amb25382161 [0,2,0,0,0,0|2,0,0]=4 3213 B10R0.26 CCNC(=O)C[C@@H](O)C(O)=O Amb25386386 [0,2,0,0,0,0|1,0,0]=3 3214 B10R0.26 CCOC(=O)CC(=C)C(=O)O Amb10068678 [0,2,0,0,0,0|1,0,1]=4 3215 B10R0.26 CCOC(=O)CC(C(=O)C)Br Amb17406255 [0,2,0,0,0,0|2,0,0]=4 3216 B10R0.26 CCOC(=O)N[C@@H](C)C(O)=O Amb18792318 [0,2,0,0,0,0|2,0,0]=4 3217 B10R0.26 CCOC(=O)N[C@H](C)C(O)=O Amb24761982 [0,2,0,0,0,0|2,0,0]=4 3218 B10R0.26 COCC(=O)N[C@@H](C)C(O)=O Amb18179995 [0,2,0,0,0,0|2,0,0]=4 3219 B10R0.26 COCC(=O)N[C@H](C)C(O)=O Amb24761983 [0,2,0,0,0,0|2,0,0]=4 3220 B10R0.26 C[C@H](NC(=O)OC=C)C(O)=O Amb25386315 [0,2,0,0,0,0|2,0,0]=4 3221 B10R0.26 NC(CC(=O)NCO)C(O)=O Amb25386046 [0,2,0,0,0,0|1,0,0]=3 3222 B10R0.67 COP(O)(=O)CC(C)C(O)=O Amb25386390 [0,2,0,0,0,0|2,0,0]=4 3223 B10R0.67 COS(=O)(=O)CC(N)C(O)=O Amb25386027 [0,2,0,0,0,0|2,0,0]=4 3224 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [1,0,0,1,0,0|2,0,0]=4 3225 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [1,0,0,1,0,0|2,0,0]=4 3226 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [1,0,0,1,0,0|2,0,0]=4 3227 B8R1.1 O=CC1CC(=O)CC1 Amb18124240 [1,0,0,1,0,0|2,0,0]=4 3228 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [1,0,0,1,0,0|2,0,0]=4 3229 B8R1.1 O=C[C@@H]1CC(=O)CC1 Amb24481518 [1,0,0,1,0,0|2,0,0]=4 3230 B8R1.1 O=C[C@@H]1CNC(=O)C1 Amb24377645 [1,0,0,1,0,0|2,0,0]=4 3231 B8R1.1 O=C[C@H]1CC(=O)CC1 Amb25759704 [1,0,0,1,0,0|2,0,0]=4 3232 B8R1.1 OCC1CC(=O)CO1 Amb24117838 [1,0,0,1,0,0|1,0,1]=4 3233 B8R1.1 OCC1COC(=O)C1 Amb22886806 [1,0,0,1,0,0|1,0,1]=4 3234 B8R1.1 OC[C@@H]1COC(=O)C1 Amb24414055 [1,0,0,1,0,0|1,0,1]=4 3235 B8R1.4 OC1CC(=O)OCC1 Amb24475154 [1,0,0,1,0,0|1,0,1]=4 3236 B8R1.4 O[C@H]1CC(=O)OCC1 Amb25320391 [1,0,0,1,0,0|1,0,1]=4 3237 B8R1.18 CC1=CC(=O)CC1O Amb24633748 [1,0,0,1,0,0|2,0,0]=4 3238 B8R1.18 CC1=CC(=O)C[C@@H]1O Amb25093715 [1,0,0,1,0,0|2,0,0]=4 3239 B8R1.18 CC1=CC(=O)C[C@H]1O Amb24612700 [1,0,0,1,0,0|2,0,0]=4 3240 B8R1.18 CC1NC(=O)OC1=O Amb22236022 [1,0,0,1,0,0|2,0,0]=4 3241 B8R1.18 CN1CC(=O)OC1=O Amb22734007 [1,0,0,1,0,0|2,0,0]=4 3242 B8R1.18 C[C@@H]1CC(=O)NC1=O Amb25709913 [1,0,0,1,0,0|2,0,0]=4 3243 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [1,0,0,1,0,0|1,0,0]=3 3244 B8R1.18 C[C@@H]1C[C@@H](O)C(=O)O1 Amb24615353 [1,0,0,1,0,0|1,0,1]=4 3245 B8R1.18 C[C@@H]1C[C@H](O)C(=O)O1 Amb24519690 [1,0,0,1,0,0|1,0,1]=4 3246 B8R1.18 C[C@@H]1OC(=O)CC1O Amb25332464 [1,0,0,1,0,0|1,0,1]=4 3247 B8R1.18 C[C@@H]1OC(=O)C[C@H]1O Amb25328533 [1,0,0,1,0,0|1,0,1]=4 3248 B8R1.18 C[C@H]1OC(=O)C[C@@H]1O Amb24577403 [1,0,0,1,0,0|1,0,1]=4 3249 B8R1.18 NC1CC(=O)OC1=O Amb19929452 [1,0,0,1,0,0|1,0,0]=3 3250 B8R1.18 NC1CC(=O)OC1O Amb24745298 [1,0,0,1,0,0|1,0,1]=4 3251 B8R1.18 N[C@@H]1CC(=O)NC1=O Amb18033835 [1,0,0,1,0,0|2,0,0]=4 3252 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [1,0,0,1,0,0|1,0,0]=3 3253 B8R1.18 O=C1CC(C(=O)N1)C Amb10609734 [1,0,0,1,0,0|2,0,0]=4 3254 B8R1.18 O=C1C[C@@H](C(=O)N1)N Amb17134612 [1,0,0,1,0,0|2,0,0]=4 3255 B8R1.18 O=C1NC(=O)CC1Br Amb25226801 [1,0,0,1,0,0|2,0,0]=4 3256 B8R1.18 O=C1NC(=O)CC1S Amb25325951 [1,0,0,1,0,0|1,1,0]=4 3257 B8R1.18 O=C1NC(C(=O)N1)O Amb17615425 [1,0,0,1,0,0|2,0,0]=4 3258 B8R1.18 O=C1OC(=O)CC1Cl Amb24677749 [1,0,0,1,0,0|1,0,0]=3 3259 B8R1.18 O=C1OC(=O)C[C@@H]1Br Amb24558394 [1,0,0,1,0,0|1,0,0]=3 3260 B8R1.18 O=C1OC(=O)C[C@@H]1Cl Amb25837364 [1,0,0,1,0,0|1,0,0]=3 3261 B8R1.18 OC1=CC(=O)CN1O Amb24369018 [1,0,0,1,0,0|2,0,0]=4 3262 B8R1.18 OC1CC(=O)CC1=O Amb24330382 [1,0,0,1,0,0|1,0,0]=3 3263 B8R1.18 OC1CC(=O)CC1O Amb25834386 [1,0,0,1,0,0|1,0,1]=4 3264 B8R1.18 O[C@@H]1CC(=O)OC1=O Amb25142904 [1,0,0,1,0,0|0,0,0]=2 3265 B8R1.18 O[C@H]1CC(=O)NC1=O Amb24458089 [1,0,0,1,0,0|1,0,0]=3 3266 B8R1.20 C=C1C[C@@H]1CC(O)=O Amb25331268 [1,0,0,1,0,0|2,0,0]=4 3267 B8R1.20 C=C1C[C@H]1CC(O)=O Amb24686141 [1,0,0,1,0,0|2,0,0]=4 3268 B8R1.20 CC1OC1CC(O)=O Amb24710388 [1,0,0,1,0,0|1,0,1]=4 3269 B8R1.20 C[C@H]1O[C@H]1CC(O)=O Amb25747306 [1,0,0,1,0,0|1,0,1]=4 3270 B8R1.31 N[C@@H]1CO[C@@H]1C(O)=O Amb24568133 [1,0,0,1,0,0|1,0,1]=4 3271 B8R1.31 N[C@@H]1CO[C@H]1C(O)=O Amb24681491 [1,0,0,1,0,0|1,0,1]=4 3272 B8R1.31 N[C@H]1CO[C@@H]1C(O)=O Amb25324265 [1,0,0,1,0,0|1,0,1]=4 3273 B8R1.31 OC(=O)C1C=CC1Cl Amb24482989 [1,0,0,1,0,0|2,0,0]=4 3274 B8R1.31 OC1CCC1C(O)=O Amb24481384 [1,0,0,1,0,0|1,0,1]=4 3275 B8R1.34 OC(=O)CC1COC1 Amb18199145 [1,0,0,1,0,0|1,0,1]=4 3276 B8R1.42 OC(=O)CC1(O)CC1 Amb24117238 [1,0,0,1,0,0|1,0,1]=4 3277 B8R1.43 C=C[C@H]1C[C@@H]1C(O)=O Amb24562586 [1,0,0,1,0,0|2,0,0]=4 3278 B8R1.43 C=C[C@H]1C[C@H]1C(O)=O Amb25173924 [1,0,0,1,0,0|2,0,0]=4 3279 B8R1.43 CCC1OC1C(O)=O Amb24640795 [1,0,0,1,0,0|1,0,1]=4 3280 B8R1.43 CC[C@@H]1O[C@H]1C(O)=O Amb24587605 [1,0,0,1,0,0|1,0,1]=4 3281 B8R1.43 NC(=O)C1OC1CO Amb25351466 [1,0,0,1,0,0|1,0,1]=4 3282 B8R1.43 NC(=O)[C@@H]1O[C@H]1CO Amb25229010 [1,0,0,1,0,0|1,0,1]=4 3283 B8R1.43 OC(=O)[C@@H]1C[C@H]1C=O Amb25174216 [1,0,0,1,0,0|1,0,0]=3 3284 B8R1.43 OC(=O)[C@H]1C[C@@H]1C=O Amb25188101 [1,0,0,1,0,0|1,0,0]=3 3285 B8R1.43 OC(=O)[C@H]1O[C@@H]1CBr Amb24603042 [1,0,0,1,0,0|1,0,1]=4 3286 B8R1.43 OCC1CC1C(O)=O Amb25173469 [1,0,0,1,0,0|1,0,1]=4 3287 B8R1.43 OC[C@@H]1C[C@H]1C(O)=O Amb25231147 [1,0,0,1,0,0|1,0,1]=4 3288 B8R1.43 OC[C@H]1C[C@@H]1C(O)=O Amb25319844 [1,0,0,1,0,0|1,0,1]=4 3289 B8R1.43 [O-]C(=O)C1OC1CO Amb24557010 [1,0,0,1,0,0|0,0,2]=4 3290 B8R1.43 [O-]C(=O)[C@@H]1O[C@H]1CO Amb25215740 [1,0,0,1,0,0|0,0,2]=4 3291 B8R1.43 [O-]C(=O)[C@H]1O[C@@H]1CO Amb24541614 [1,0,0,1,0,0|0,0,2]=4 3292 B8R1.5 OC1CCCOC1=O Amb19959000 [1,0,0,1,0,0|1,0,1]=4 3293 B8R1.7 NC(=O)C1CC=CO1 Amb24334594 [1,0,0,1,0,0|2,0,0]=4 3294 B8R1.7 OC(=O)C1C=CCO1 Amb18641762 [1,0,0,1,0,0|1,0,1]=4 3295 B8R1.7 OC(=O)C1CC=NN1 Amb18641765 [1,0,0,1,0,0|2,0,0]=4 3296 B8R1.7 OC(=O)C1CCON1 Amb24351403 [1,0,0,1,0,0|1,0,1]=4 3297 B8R1.7 OC(=O)C1CNCO1 Amb24359881 [1,0,0,1,0,0|2,0,0]=4 3298 B8R1.7 OC(=O)C1CNOC1 Amb24560626 [1,0,0,1,0,0|2,0,0]=4 3299 B8R1.7 OC(=O)[C@@H]1COCC1 Amb22226787 [1,0,0,1,0,0|1,0,1]=4 3300 B8R1.7 OC(=O)[C@H]1COCC1 Amb10603235 [1,0,0,1,0,0|1,0,1]=4 3301 B8R1.23 CC(O)C1CC(=O)O1 Amb25317296 [1,0,0,1,0,0|1,0,1]=4 3302 B8R1.23 C[C@H](O)[C@@H]1CC(=O)O1 Amb24515159 [1,0,0,1,0,0|1,0,1]=4 3303 B8R1.23 NC(=O)C1CC(=O)C1 Amb22896730 [1,0,0,1,0,0|2,0,0]=4 3304 B8R1.23 O=C1CC(C1)C(=O)Cl Amb16230813 [1,0,0,1,0,0|2,0,0]=4 3305 B8R1.23 O=C1CC(C1)C(=O)O Amb1106387 [1,0,0,1,0,0|1,0,0]=3 3306 B8R1.23 O=C1CC(N1)C(=O)O Amb16232079 [1,0,0,1,0,0|1,0,0]=3 3307 B8R1.23 OC(=O)[C@@H]1CC(=O)N1 Amb22367070 [1,0,0,1,0,0|1,0,0]=3 3308 B8R1.23 OC(=O)[C@H]1CC(=O)O1 Amb25705638 [1,0,0,1,0,0|0,0,0]=2 3309 B8R1.23 O[C@@H]1C[C@H](C1)C(O)=O Amb19516178 [1,0,0,1,0,0|1,0,1]=4 3310 B8R1.23 O[C@H]1C[C@H](C1)C(O)=O Amb19516179 [1,0,0,1,0,0|1,0,1]=4 3311 B8R1.30 C=C1CC1(N)C(O)=O Amb22274582 [1,0,0,1,0,0|2,0,0]=4 3312 B8R1.30 CC1CC1(O)C(O)=O Amb24481340 [1,0,0,1,0,0|1,0,1]=4 3313 B8R1.30 C[C@@H]1C[C@]1(O)C(O)=O Amb24630291 [1,0,0,1,0,0|1,0,1]=4 3314 B8R1.30 C[C@H]1C[C@@]1(O)C(O)=O Amb25174792 [1,0,0,1,0,0|1,0,1]=4 3315 B8R1.46 OC1C(CO)OC1=O Amb25359586 [1,0,0,1,0,0|0,0,1]=3 3316 B8R1.54 OC(C1CC1)C(O)=O Amb18282441 [1,0,0,1,0,0|1,0,1]=4 3317 B8R1.54 O[C@@H](C1CC1)C(O)=O Amb25312037 [1,0,0,1,0,0|1,0,1]=4 3318 B8R1.54 O[C@H](C1CC1)C(O)=O Amb25715899 [1,0,0,1,0,0|1,0,1]=4 3319 B8R1.78 CC1(CCO1)C(O)=O Amb22001906 [1,0,0,1,0,0|1,0,1]=4 3320 B8R1.78 OC(=O)C1(O)CNC1 Amb24122891 [1,0,0,1,0,0|2,0,0]=4 3321 B8R1.78 OC(=O)C1(O)COC1 Amb25714262 [1,0,0,1,0,0|2,0,0]=4 3322 B8R1.78 OC(=O)C1(O)CSC1 Amb25259612 [1,0,0,1,0,0|2,0,0]=4 3323 B8R1.80 OC1OC1(O)CC=O Amb25277148 [1,0,0,1,0,0|0,0,2]=4 3324 B8R1.3 O=C1CCC(=O)CN1 Amb15692796 [1,0,0,1,0,0|2,0,0]=4 3325 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [1,0,0,1,0,0|2,0,0]=4 3326 B8R1.3 O=C1CNC(=O)CC1 Amb22491034 [1,0,0,1,0,0|2,0,0]=4 3327 B8R1.3 O=C1CNC(=O)OC1 Amb24481365 [1,0,0,1,0,0|2,0,0]=4 3328 B8R1.50 BrC1C(=O)COC1=O Amb17594578 [0,0,0,1,1,0|2,0,0]=4 3329 B8R1.50 OC1C(=O)C=CC1=O Amb25272521 [0,0,0,1,1,0|2,0,0]=4 3330 B8R1.50 OC1C(=O)CCC1=O Amb24443990 [0,0,0,1,1,0|2,0,0]=4 3331 B8R1.50 OC1C(=O)COC1=O Amb25143349 [0,0,0,1,1,0|1,0,0]=3 3332 B8R1.50 OC1C(O)COC1=O Amb22730078 [0,0,0,1,1,0|1,0,1]=4 3333 B8R1.50 OC=1C(=O)OCC1O Amb23505710 [0,0,0,1,1,0|1,0,1]=4 3334 B8R1.50 O[C@@H]1[C@@H](O)COC1=O Amb15692412 [0,0,0,1,1,0|1,0,1]=4 3335 B8R1.50 O[C@H]1[C@H](O)COC1=O Amb24609731 [0,0,0,1,1,0|1,0,1]=4 3336 B10R1.13 CC(=O)C1CCC(=O)OC1 Amb25092970 [0,0,0,1,0,1|2,0,0]=4 3337 B10R1.13 CC=1COC(CC1)C(O)=O Amb25836036 [0,0,0,1,0,1|2,0,0]=4 3338 B10R1.13 OC(=O)C1CCC(=O)CN1 Amb21960863 [0,0,0,1,0,1|2,0,0]=4 3339 B10R1.13 OC(=O)C1CCC(=O)CO1 Amb23596936 [0,0,0,1,0,1|1,0,0]=3 3340 B10R1.13 OC(=O)C1CCC(=O)CS1 Amb23596925 [0,0,0,1,0,1|1,1,0]=4 3341 B10R1.13 OC(=O)C1CCC(=O)NN1 Amb23441127 [0,0,0,1,0,1|2,0,0]=4 3342 B10R1.13 OC(=O)C1CCC(=O)SC1 Amb24637279 [0,0,0,1,0,1|1,1,0]=4 3343 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22235954 [0,0,0,1,0,1|2,0,0]=4 3344 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22641428 [0,0,0,1,0,1|2,0,0]=4 3345 B10R1.13 OC(=O)[C@@H]1CCC(=O)CN1 Amb24655763 [0,0,0,1,0,1|2,0,0]=4 3346 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22746776 [0,0,0,1,0,1|2,0,0]=4 3347 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22756547 [0,0,0,1,0,1|2,0,0]=4 3348 B10R1.13 OC(=O)[C@H]1CNC(=O)CN1 Amb24423079 [0,0,0,1,0,1|2,0,0]=4 3349 B10R1.13 OC1CCC(OC1)C(O)=O Amb23596937 [0,0,0,1,0,1|1,0,1]=4 3350 B10R1.13 O[C@H]1CC[C@@H](OC1)C(O)=O Amb24725149 [0,0,0,1,0,1|1,0,1]=4 3351 B10R1.58 CC(=O)C1CC(C)C(=O)O1 Amb25146781 [0,0,0,1,0,1|2,0,0]=4 3352 B10R1.58 CC(O)C1CC(O)C(=O)O1 Amb25761049 [0,0,0,1,0,1|1,0,1]=4 3353 B10R1.58 CC1C=C(OC1=O)C(O)=O Amb24505308 [0,0,0,1,0,1|1,0,1]=4 3354 B10R1.58 CC1CC(NC1=O)C(O)=O Amb24561629 [0,0,0,1,0,1|2,0,0]=4 3355 B10R1.58 CC1CC(OC1=O)C(=O)Cl Amb25124855 [0,0,0,1,0,1|2,0,0]=4 3356 B10R1.58 CC1C[C@H](NC1=O)C(O)=O Amb24425935 [0,0,0,1,0,1|2,0,0]=4 3357 B10R1.58 CC1NC(CC1=O)C(O)=O Amb24681544 [0,0,0,1,0,1|2,0,0]=4 3358 B10R1.58 CC1OC(CC1O)C(O)=O Amb24366663 [0,0,0,1,0,1|1,0,1]=4 3359 B10R1.58 CC1SC(CC1=O)C(O)=O Amb24061426 [0,0,0,1,0,1|2,0,0]=4 3360 B10R1.58 CN1C[C@H](OC1=O)C(O)=O Amb25696396 [0,0,0,1,0,1|2,0,0]=4 3361 B10R1.58 C[C@@H](O)[C@@H]1C[C@H](O)C(=O)O1 Amb24515478 [0,0,0,1,0,1|1,0,1]=4 3362 B10R1.58 C[C@@H]1C[C@H](NC1=O)C(O)=O Amb25294315 [0,0,0,1,0,1|2,0,0]=4 3363 B10R1.58 C[C@@H]1N[C@@H](CC1=O)C(O)=O Amb25176921 [0,0,0,1,0,1|2,0,0]=4 3364 B10R1.58 C[C@@H]1O[C@H](C[C@H]1O)C(O)=O Amb24599918 [0,0,0,1,0,1|1,0,1]=4 3365 B10R1.58 C[C@H](O)[C@H]1CC(O)C(=O)O1 Amb24592500 [0,0,0,1,0,1|1,0,1]=4 3366 B10R1.58 C[C@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb25256354 [0,0,0,1,0,1|1,0,1]=4 3367 B10R1.58 C[C@H]1O[C@H](C[C@@H]1O)C(O)=O Amb25323977 [0,0,0,1,0,1|1,0,1]=4 3368 B10R1.58 NC1CC(OC1=O)C(O)=O Amb25147458 [0,0,0,1,0,1|1,0,0]=3 3369 B10R1.58 NC1CC(SC1=O)C(O)=O Amb25317929 [0,0,0,1,0,1|1,1,0]=4 3370 B10R1.58 N[C@H]1CC(SC1=O)C(O)=O Amb25297996 [0,0,0,1,0,1|1,1,0]=4 3371 B10R1.58 OC(=O)C1CC(F)C(=O)N1 Amb24696741 [0,0,0,1,0,1|2,0,0]=4 3372 B10R1.58 OC(=O)C1CC(O)C(=O)N1 Amb24505111 [0,0,0,1,0,1|1,0,0]=3 3373 B10R1.58 OC(=O)C1CC(O)C(=O)O1 Amb18644233 [0,0,0,1,0,1|0,0,0]=2 3374 B10R1.58 OC(=O)[C@@H]1CC(F)C(=O)N1 Amb25360897 [0,0,0,1,0,1|2,0,0]=4 3375 B10R1.58 OC(=O)[C@@H]1C[C@@H](O)C(=O)O1 Amb24514914 [0,0,0,1,0,1|0,0,0]=2 3376 B10R1.58 OC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb25230626 [0,0,0,1,0,1|0,0,0]=2 3377 B10R1.58 OC(=O)[C@H]1C[C@@H](F)C(=O)N1 Amb25259244 [0,0,0,1,0,1|2,0,0]=4 3378 B10R1.58 OC(=O)[C@H]1NC(=O)[C@@H](C1)F Amb10839466 [0,0,0,1,0,1|2,0,0]=4 3379 B10R1.58 OC(=O)[C@H]1NC(=O)[C@H](C1)F Amb10838332 [0,0,0,1,0,1|2,0,0]=4 3380 B10R1.190 CC(NC1CC1=O)C(O)=O Amb25789148 [0,0,0,1,0,1|2,0,0]=4 3381 B10R1.190 NC(CC1CC1=O)C(O)=O Amb24477414 [0,0,0,1,0,1|2,0,0]=4 3382 B10R1.349 CC(=O)C1CC(C1)C(O)=O Amb25113879 [0,0,0,1,0,1|2,0,0]=4 3383 B10R1.349 CC(=O)N1CC(C1)C(O)=O Amb20061395 [0,0,0,1,0,1|2,0,0]=4 3384 B10R1.349 NC(=O)C1CC(C1)C(O)=O Amb24698479 [0,0,0,1,0,1|2,0,0]=4 3385 B10R1.349 NC(=O)[C@@H]1C[C@H](C1)C(O)=O Amb24394961 [0,0,0,1,0,1|2,0,0]=4 3386 B10R1.349 NC(=O)[C@H]1C[C@H](C1)C(O)=O Amb24425563 [0,0,0,1,0,1|2,0,0]=4 3387 B10R1.349 OC(=O)C1CC(C1)C(O)=O Amb19958786 [0,0,0,1,0,1|1,0,0]=3 3388 B10R1.349 OC(=O)[C@@H]1C[C@H](C1)C(O)=O Amb19514892 [0,0,0,1,0,1|1,0,0]=3 3389 B10R1.359 OC(=O)C1COP(O)(=O)O1 Amb25701824 [0,0,0,1,0,1|1,0,0]=3 3390 B10R1.359 OC(=O)[C@H]1COP(O)(=O)O1 Amb24692709 [0,0,0,1,0,1|1,0,0]=3 3391 B10R1.360 CC(=O)C1(C)CC1C(O)=O Amb25771095 [0,0,0,1,0,1|2,0,0]=4 3392 B10R1.360 CC(=O)[C@]1(Br)C[C@@H]1C(O)=O Amb24648199 [0,0,0,1,0,1|2,0,0]=4 3393 B10R1.360 C[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24598825 [0,0,0,1,0,1|1,0,0]=3 3394 B10R1.360 C[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25231202 [0,0,0,1,0,1|1,0,0]=3 3395 B10R1.360 C[C@]1(O[C@@H]1C(O)=O)C(O)=O Amb25340526 [0,0,0,1,0,1|1,0,0]=3 3396 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,0,1|1,0,0]=3 3397 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,0,1|1,0,0]=3 3398 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,0,1|1,0,0]=3 3399 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,0,1|1,0,0]=3 3400 B10R1.360 OC(=O)[C@@]1(Br)C[C@@H]1C(O)=O Amb24748251 [0,0,0,1,0,1|1,0,0]=3 3401 B10R1.360 OC(=O)[C@@]1(Cl)C[C@H]1C(O)=O Amb25258365 [0,0,0,1,0,1|1,0,0]=3 3402 B10R1.360 OC(=O)[C@]1(Cl)C[C@H]1C(O)=O Amb25179268 [0,0,0,1,0,1|1,0,0]=3 3403 B10R1.368 CC(=O)NC1CC1C(O)=O Amb18831601 [0,0,0,1,0,1|2,0,0]=4 3404 B10R1.368 CC(=O)OC1CC1C(O)=O Amb24746709 [0,0,0,1,0,1|2,0,0]=4 3405 B10R1.368 OC(=O)CC1CC1C(O)=O Amb25111566 [0,0,0,1,0,1|1,0,0]=3 3406 B10R1.368 OC(=O)CN1CC1C(O)=O Amb24078333 [0,0,0,1,0,1|1,0,0]=3 3407 B10R1.368 OC(=O)CN1C[C@H]1C(O)=O Amb24078334 [0,0,0,1,0,1|1,0,0]=3 3408 B10R1.368 OC(=O)[C@@H]/1C\C1=C\C(O)=O Amb25827923 [0,0,0,1,0,1|1,0,1]=4 3409 B10R1.470 CC1(CC(=O)CC1)C(O)=O Amb23454199 [0,0,0,1,0,1|2,0,0]=4 3410 B10R1.470 CC1(CC(=O)NC1)C(O)=O Amb22546311 [0,0,0,1,0,1|2,0,0]=4 3411 B10R1.470 CC1(CCC(=O)N1)C(O)=O Amb23515108 [0,0,0,1,0,1|2,0,0]=4 3412 B10R1.470 CC1(CCC(=O)O1)C(N)=O Amb25842762 [0,0,0,1,0,1|2,0,0]=4 3413 B10R1.470 CC1(CSC(=O)N1)C(O)=O Amb25780546 [0,0,0,1,0,1|2,0,0]=4 3414 B10R1.470 CC1(OC(=O)CS1)C(O)=O Amb25322035 [0,0,0,1,0,1|1,0,0]=3 3415 B10R1.470 CC=1C[C@](O)(CC1)C(O)=O Amb24578805 [0,0,0,1,0,1|2,0,0]=4 3416 B10R1.470 C[C@@]1(COC(=O)N1)C(O)=O Amb25340464 [0,0,0,1,0,1|2,0,0]=4 3417 B10R1.470 C[C@]1(CC(=O)CC1)C(O)=O Amb25693811 [0,0,0,1,0,1|2,0,0]=4 3418 B10R1.470 C[C@]1(CSC(=O)N1)C(O)=O Amb25701127 [0,0,0,1,0,1|2,0,0]=4 3419 B10R1.470 OC(=O)C1(O)COC(=O)C1 Amb25340431 [0,0,0,1,0,1|1,0,0]=3 3420 B10R1.470 OC(=O)C1(O)COC(=O)N1 Amb25786464 [0,0,0,1,0,1|1,0,0]=3 3421 B10R1.470 OC(=O)[C@@]1(O)COC(=O)C1 Amb25084490 [0,0,0,1,0,1|1,0,0]=3 3422 B10R1.470 OC(=O)[C@]1(O)COC(=O)C1 Amb25368286 [0,0,0,1,0,1|1,0,0]=3 3423 B10R1.470 OC1CC(O)(CC1)C(O)=O Amb25213061 [0,0,0,1,0,1|1,0,1]=4 3424 B10R1.470 OC1CCC(O)(O1)C(O)=O Amb25066503 [0,0,0,1,0,1|0,0,2]=4 3425 B10R1.470 O[C@@H]1CO[C@@](O)(C1)C(O)=O Amb24601415 [0,0,0,1,0,1|1,0,1]=4 3426 B10R1.54 CC(=O)NC1CC(=O)OC1 Amb25276428 [0,0,0,1,0,1|2,0,0]=4 3427 B10R1.54 CC(=O)N[C@@H]1CC(=O)OC1 Amb24644279 [0,0,0,1,0,1|2,0,0]=4 3428 B10R1.54 CC(=O)N[C@H]1CC(=O)OC1 Amb24396581 [0,0,0,1,0,1|2,0,0]=4 3429 B10R1.54 CC(=O)OC1CC(=O)OC1 Amb22730362 [0,0,0,1,0,1|2,0,0]=4 3430 B10R1.54 CC(=O)O[C@@H]1CC(=O)OC1 Amb22225179 [0,0,0,1,0,1|2,0,0]=4 3431 B10R1.54 NC(=O)CC1COC(=O)N1 Amb24707993 [0,0,0,1,0,1|2,0,0]=4 3432 B10R1.54 OC(=O)CC1=CC(=O)NO1 Amb18831605 [0,0,0,1,0,1|1,0,1]=4 3433 B10R1.54 OC(=O)CC1CC(=O)C=C1 Amb25831069 [0,0,0,1,0,1|2,0,0]=4 3434 B10R1.54 OC(=O)CC1CC(=O)CC1 Amb18643816 [0,0,0,1,0,1|2,0,0]=4 3435 B10R1.54 OC(=O)CC1CC(=O)NC1 Amb18831602 [0,0,0,1,0,1|2,0,0]=4 3436 B10R1.54 OC(=O)CC1CC(=O)OC1 Amb20669416 [0,0,0,1,0,1|1,0,0]=3 3437 B10R1.54 OC(=O)CC1CCC(=O)N1 Amb2372619 [0,0,0,1,0,1|2,0,0]=4 3438 B10R1.54 OC(=O)CC1CNC(=O)O1 Amb18644185 [0,0,0,1,0,1|2,0,0]=4 3439 B10R1.54 OC(=O)CC1CSC(=O)S1 Amb25108490 [0,0,0,1,0,1|1,1,0]=4 3440 B10R1.54 OC(=O)CC1NC(=O)CS1 Amb24482236 [0,0,0,1,0,1|1,1,0]=4 3441 B10R1.54 OC(=O)CC=1CC(=O)ON1 Amb18202495 [0,0,0,1,0,1|1,0,1]=4 3442 B10R1.54 OC(=O)C[C@@H]1CC(=O)C=C1 Amb24746679 [0,0,0,1,0,1|2,0,0]=4 3443 B10R1.54 OC(=O)C[C@@H]1CC(=O)CC1 Amb22898751 [0,0,0,1,0,1|2,0,0]=4 3444 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 Amb22587587 [0,0,0,1,0,1|2,0,0]=4 3445 B10R1.54 OC(=O)C[C@@H]1CCC(=O)O1 Amb22746828 [0,0,0,1,0,1|2,0,0]=4 3446 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 Amb25147304 [0,0,0,1,0,1|2,0,0]=4 3447 B10R1.54 OC(=O)C[C@H]1C=CC(=O)O1 Amb25069009 [0,0,0,1,0,1|2,0,0]=4 3448 B10R1.54 OC(=O)C[C@H]1CC(=O)CC1 Amb24480441 [0,0,0,1,0,1|2,0,0]=4 3449 B10R1.54 OC(=O)C[C@H]1CC(=O)NC1 Amb24410373 [0,0,0,1,0,1|2,0,0]=4 3450 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 Amb22587585 [0,0,0,1,0,1|2,0,0]=4 3451 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 Amb24529265 [0,0,0,1,0,1|2,0,0]=4 3452 B10R1.54 OC(=O)C[C@H]1COC(=O)N1 Amb25744486 [0,0,0,1,0,1|1,0,0]=3 3453 B10R1.59 CC(=O)C1OC(=O)CC1C Amb24524380 [0,0,0,1,0,1|2,0,0]=4 3454 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [0,0,0,1,0,1|2,0,0]=4 3455 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@H]1C Amb24584412 [0,0,0,1,0,1|2,0,0]=4 3456 B10R1.59 CC1=NC(C)C(O1)C(O)=O Amb25799541 [0,0,0,1,0,1|2,0,0]=4 3457 B10R1.59 CC1=N[C@H](C)[C@@H](O1)C(O)=O Amb25174803 [0,0,0,1,0,1|2,0,0]=4 3458 B10R1.59 CC1CC(=O)CC1C(O)=O Amb25281943 [0,0,0,1,0,1|2,0,0]=4 3459 B10R1.59 CC1CC(=O)NC1C(O)=O Amb25063723 [0,0,0,1,0,1|2,0,0]=4 3460 B10R1.59 CC1NC(=O)CC1C(O)=O Amb24664051 [0,0,0,1,0,1|2,0,0]=4 3461 B10R1.59 CC1NC(=O)OC1C(O)=O Amb25046075 [0,0,0,1,0,1|1,0,0]=3 3462 B10R1.59 CC1OC(=O)CC1C(O)=O Amb18644066 [0,0,0,1,0,1|2,0,0]=4 3463 B10R1.59 CC1OC(=O)NC1C(O)=O Amb18644184 [0,0,0,1,0,1|2,0,0]=4 3464 B10R1.59 CC1SC(=O)SC1C(O)=O Amb23504453 [0,0,0,1,0,1|1,1,0]=4 3465 B10R1.59 C[C@@H](O)[C@@H]1OC(=O)C[C@@H]1O Amb25221046 [0,0,0,1,0,1|1,0,1]=4 3466 B10R1.59 C[C@@H]1CC(=O)C[C@@H]1C(O)=O Amb25174905 [0,0,0,1,0,1|2,0,0]=4 3467 B10R1.59 C[C@@H]1CC(=O)N[C@H]1C(O)=O Amb24545555 [0,0,0,1,0,1|2,0,0]=4 3468 B10R1.59 C[C@@H]1NC(=O)C[C@H]1C(O)=O Amb18202489 [0,0,0,1,0,1|2,0,0]=4 3469 B10R1.59 C[C@@H]1OC(=O)N[C@H]1C(O)=O Amb25243703 [0,0,0,1,0,1|2,0,0]=4 3470 B10R1.59 C[C@H]1OC(=O)C[C@@H]1C(O)=O Amb25368352 [0,0,0,1,0,1|2,0,0]=4 3471 B10R1.59 C[C@H]1OC(=O)N[C@H]1C(O)=O Amb24514898 [0,0,0,1,0,1|2,0,0]=4 3472 B10R1.59 C[C@H]1SC(=O)N[C@@H]1C(O)=O Amb24634344 [0,0,0,1,0,1|2,0,0]=4 3473 B10R1.59 C[C@H]1SC(=O)S[C@H]1C(O)=O Amb24740378 [0,0,0,1,0,1|1,1,0]=4 3474 B10R1.59 NC(=O)C1NC(=O)CC1O Amb25147285 [0,0,0,1,0,1|2,0,0]=4 3475 B10R1.59 NC1CC(=O)CC1C(O)=O Amb24523031 [0,0,0,1,0,1|2,0,0]=4 3476 B10R1.59 N[C@@H]1CC(=O)C[C@@H]1C(O)=O Amb24391186 [0,0,0,1,0,1|2,0,0]=4 3477 B10R1.59 OC(=O)C1NC(=O)CC1F Amb24468191 [0,0,0,1,0,1|2,0,0]=4 3478 B10R1.59 OC(=O)C1OC(=O)OC1=O Amb25335302 [0,0,0,1,0,1|0,0,2]=4 3479 B10R1.59 OC(=O)[C@@H]1NC(=O)C[C@H]1O Amb24567678 [0,0,0,1,0,1|1,0,0]=3 3480 B10R1.59 OC(=O)[C@H]1NC(=O)C[C@H]1O Amb24515079 [0,0,0,1,0,1|1,0,0]=3 3481 B10R1.59 OC(=O)[C@H]1OC(=O)C[C@@H]1O Amb25230624 [0,0,0,1,0,1|0,0,0]=2 3482 B10R1.282 C=C1[C@@H](C1C(O)=O)C(O)=O Amb25259210 [0,0,0,1,0,1|1,0,1]=4 3483 B10R1.282 CC1C(C1C(O)=O)C(O)=O Amb25113473 [0,0,0,1,0,1|1,0,0]=3 3484 B10R1.282 CC=1C(C1C(O)=O)C(O)=O Amb25118958 [0,0,0,1,0,1|1,0,1]=4 3485 B10R1.282 C[C@@H]1[C@@H]([C@@H]1C(O)=O)C(O)=O Amb25757859 [0,0,0,1,0,1|1,0,0]=3 3486 B10R1.282 C[C@@H]1[C@H]([C@H]1C(O)=O)C(O)=O Amb24763777 [0,0,0,1,0,1|1,0,0]=3 3487 B10R1.282 NC1C(C1C(O)=O)C(O)=O Amb25229844 [0,0,0,1,0,1|1,0,0]=3 3488 B10R1.282 OC(=O)C1C(=C)C1C(=O)O Amb1106465 [0,0,0,1,0,1|1,0,1]=4 3489 B10R1.282 OC(=O)C1C(Br)C1C(O)=O Amb25698402 [0,0,0,1,0,1|1,0,0]=3 3490 B10R1.282 OC(=O)[C@@H]1C(=C)[C@@H]1C(=O)O Amb10069605 [0,0,0,1,0,1|1,0,1]=4 3491 B10R1.309 CC1(CC(=O)N1)CC(O)=O Amb24538048 [0,0,0,1,0,1|2,0,0]=4 3492 B10R1.309 CC1(CC(=O)O1)CC(O)=O Amb25292199 [0,0,0,1,0,1|1,0,0]=3 3493 B10R1.309 C[C@]1(CC(=O)O1)CC(O)=O Amb24480790 [0,0,0,1,0,1|1,0,0]=3 3494 B10R1.14 CC=1CC(ON1)C(=O)CO Amb25834346 [0,1,0,1,0,0|2,0,0]=4 3495 B10R1.14 CC=1CC(ON1)C(=O)OC Amb22411580 [0,1,0,1,0,0|2,0,0]=4 3496 B10R1.14 COC(=O)C1CC(=O)C=C1 Amb22001854 [0,1,0,1,0,0|2,0,0]=4 3497 B10R1.14 COC(=O)C1CC(=O)CO1 Amb22755134 [0,1,0,1,0,0|1,0,0]=3 3498 B10R1.14 COC(=O)C1CC(=O)CS1 Amb18199422 [0,1,0,1,0,0|1,1,0]=4 3499 B10R1.14 COC(=O)C1CC(Br)=NO1 Amb23449508 [0,1,0,1,0,0|2,0,0]=4 3500 B10R1.14 COC(=O)C1CC(O)CO1 Amb24648233 [0,1,0,1,0,0|1,0,1]=4 3501 B10R1.14 COC(=O)C1CCC(=O)C1 Amb10067354 [0,1,0,1,0,0|2,0,0]=4 3502 B10R1.14 COC(=O)C1COC(=O)N1 Amb22432172 [0,1,0,1,0,0|2,0,0]=4 3503 B10R1.14 COC(=O)C1COC(=O)O1 Amb25174271 [0,1,0,1,0,0|2,0,0]=4 3504 B10R1.14 COC(=O)C=1CC(=O)ON1 Amb22498282 [0,1,0,1,0,0|1,0,1]=4 3505 B10R1.14 COC(=O)[C@@H]1CC(=O)CC1 Amb23440273 [0,1,0,1,0,0|2,0,0]=4 3506 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 Amb22746545 [0,1,0,1,0,0|2,0,0]=4 3507 B10R1.14 COC(=O)[C@H]1CC(=O)CN1 Amb24642943 [0,1,0,1,0,0|2,0,0]=4 3508 B10R1.14 COC(=O)[C@H]1CC(=O)NC1 Amb24479010 [0,1,0,1,0,0|2,0,0]=4 3509 B10R1.14 COC(=O)[C@H]1COC(=O)N1 Amb19929331 [0,1,0,1,0,0|2,0,0]=4 3510 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CO1 Amb25176771 [0,1,0,1,0,0|1,0,1]=4 3511 B10R1.14 COC(=O)[C@H]1C[C@H](O)CO1 Amb25176770 [0,1,0,1,0,0|1,0,1]=4 3512 B10R1.14 O=C1CC(CO1)C(=O)CCl Amb24738564 [0,1,0,1,0,0|2,0,0]=4 3513 B10R1.22 CC1OC(=O)CC(O)C1=O Amb24438726 [0,1,0,1,0,0|1,0,0]=3 3514 B10R1.22 C[C@@H]1OC(=O)C[C@@H](O)C1=O Amb25179418 [0,1,0,1,0,0|1,0,0]=3 3515 B10R1.22 C[C@@H]1OC(=O)C[C@@H](O)[C@H]1O Amb24620960 [0,1,0,1,0,0|1,0,1]=4 3516 B10R1.22 C[C@@H]1OC(=O)C[C@H](O)[C@H]1O Amb24520100 [0,1,0,1,0,0|1,0,1]=4 3517 B10R1.22 C[C@H]1OC(=O)C[C@@H](O)[C@@H]1O Amb25275211 [0,1,0,1,0,0|1,0,1]=4 3518 B10R1.64 CC(=O)CC1CCOC1=O Amb24709366 [0,1,0,1,0,0|2,0,0]=4 3519 B10R1.64 OC(=O)CC1=NNOC1=O Amb22731008 [0,1,0,1,0,0|1,0,1]=4 3520 B10R1.64 OC(=O)CC1CC=CC1=O Amb18643487 [0,1,0,1,0,0|2,0,0]=4 3521 B10R1.64 OC(=O)CC1CCCC1=O Amb18643831 [0,1,0,1,0,0|2,0,0]=4 3522 B10R1.64 OC(=O)CC1CCNC1=O Amb18831604 [0,1,0,1,0,0|2,0,0]=4 3523 B10R1.64 OC(=O)CC1CCOC1=O Amb18644064 [0,1,0,1,0,0|1,0,0]=3 3524 B10R1.64 OC(=O)CC1COCC1=O Amb24479611 [0,1,0,1,0,0|1,0,0]=3 3525 B10R1.64 OC(=O)Cc1nonc1O Amb10552405 [0,1,0,1,0,0|1,0,1]=4 3526 B10R1.163 O[C@@H]1[C@@H](CO)N[C@H]1C(O)=O Amb24642070 [0,1,0,1,0,0|1,0,1]=4 3527 B10R1.194 C=C1C(COC1=O)C(O)=O Amb18643787 [0,1,0,1,0,0|1,0,1]=4 3528 B10R1.194 CC(=C)C1COC(=O)C1O Amb24404727 [0,1,0,1,0,0|2,0,0]=4 3529 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,1,0,1,0,0|2,0,0]=4 3530 B10R1.194 CC(=O)[C@H]1COC(=O)[C@@H]1C Amb25273006 [0,1,0,1,0,0|2,0,0]=4 3531 B10R1.194 CC1C(CCC1=O)C(O)=O Amb18643836 [0,1,0,1,0,0|2,0,0]=4 3532 B10R1.194 CC1C(NCC1=O)C(O)=O Amb25054606 [0,1,0,1,0,0|2,0,0]=4 3533 B10R1.194 CC1C(OCC1O)C(O)=O Amb25738059 [0,1,0,1,0,0|1,0,1]=4 3534 B10R1.194 CC1[C@H](CCC1=O)C(O)=O Amb24538053 [0,1,0,1,0,0|2,0,0]=4 3535 B10R1.194 CN1C(COC1=O)C(O)=O Amb25800781 [0,1,0,1,0,0|2,0,0]=4 3536 B10R1.194 C[C@@H]1[C@@H](COC1=O)C(O)=O Amb25174801 [0,1,0,1,0,0|1,0,0]=3 3537 B10R1.194 C[C@@H]1[C@H](C=CC1=O)C(O)=O Amb24514916 [0,1,0,1,0,0|2,0,0]=4 3538 B10R1.194 C[C@@H]1[C@H](NCC1=O)C(O)=O Amb18831599 [0,1,0,1,0,0|2,0,0]=4 3539 B10R1.194 C[C@H]1C(OC[C@H]1O)C(O)=O Amb25278272 [0,1,0,1,0,0|1,0,1]=4 3540 B10R1.194 C[C@H]1[C@H](COC1=O)C(O)=O Amb24562397 [0,1,0,1,0,0|1,0,0]=3 3541 B10R1.194 NC(=O)C1ONC(=O)C1N Amb25061967 [0,1,0,1,0,0|2,0,0]=4 3542 B10R1.194 NC(=O)[C@H]1ONC(=O)[C@@H]1N Amb24650462 [0,1,0,1,0,0|2,0,0]=4 3543 B10R1.194 NC1C(CNC1=O)C(O)=O Amb25683449 [0,1,0,1,0,0|2,0,0]=4 3544 B10R1.194 NC1C(COC1=O)C(O)=O Amb25147505 [0,1,0,1,0,0|1,0,0]=3 3545 B10R1.194 NC1C(ONC1=O)C(O)=O Amb25857733 [0,1,0,1,0,0|1,0,0]=3 3546 B10R1.194 N[C@@H]1[C@H](CNC1=O)C(O)=O Amb25230623 [0,1,0,1,0,0|2,0,0]=4 3547 B10R1.194 OC(=O)C1=NNC(=O)C1O Amb24586588 [0,1,0,1,0,0|1,0,1]=4 3548 B10R1.194 OC1C(NCC1O)C(O)=O Amb24120646 [0,1,0,1,0,0|1,0,1]=4 3549 B10R1.194 OC1CCC(C1O)C(O)=O Amb24480401 [0,1,0,1,0,0|1,0,1]=4 3550 B10R1.194 O[C@@H]1C(NC[C@H]1O)C(O)=O Amb24515069 [0,1,0,1,0,0|1,0,1]=4 3551 B10R1.194 O[C@@H]1CC[C@@H]([C@H]1O)C(O)=O Amb24655021 [0,1,0,1,0,0|1,0,1]=4 3552 B10R1.194 O[C@@H]1[C@@H](NC[C@@H]1O)C(O)=O Amb24605220 [0,1,0,1,0,0|1,0,1]=4 3553 B10R1.194 O[C@@H]1[C@H](NC[C@@H]1O)C(O)=O Amb24120647 [0,1,0,1,0,0|1,0,1]=4 3554 B10R1.194 O[C@H]1[C@@H](NC[C@@H]1O)C(O)=O Amb25259269 [0,1,0,1,0,0|1,0,1]=4 3555 B10R1.194 O[C@H]1[C@@H](NC[C@H]1O)C(O)=O Amb24546981 [0,1,0,1,0,0|1,0,1]=4 3556 B10R1.277 NC1CC(=O)O[Mg]OC1=O Amb20240602 [0,1,0,1,0,0|1,0,0]=3 3557 B10R1.277 N[C@H]1CC(=O)O[Ca]OC1=O Amb20240583 [0,1,0,1,0,0|1,0,0]=3 3558 B10R1.277 OC1CC(=O)O[Ca]OC1=O Amb22168288 [0,1,0,1,0,0|0,0,0]=2 3559 B10R1.408 CC(=O)[C@@H]1C[C@@H]1C(=O)OC Amb25377828 [0,1,0,1,0,0|2,0,0]=4 3560 B10R1.408 CC(=O)[C@@H]1C[C@H]1C(=O)OC Amb25179679 [0,1,0,1,0,0|2,0,0]=4 3561 B10R1.408 CC(=O)[C@H]1OC1C(=O)OC Amb25705146 [0,1,0,1,0,0|1,0,0]=3 3562 B10R1.408 CCC(=O)C1OC1C(N)=O Amb24392096 [0,1,0,1,0,0|2,0,0]=4 3563 B10R1.408 CCC(=O)[C@H]1O[C@H]1C(N)=O Amb25174861 [0,1,0,1,0,0|2,0,0]=4 3564 B10R1.408 CNC(=O)C1CC1C(=O)O Amb17606124 [0,1,0,1,0,0|2,0,0]=4 3565 B10R1.408 CNC(=O)[C@@H]1C[C@@H]1C(O)=O Amb25775433 [0,1,0,1,0,0|2,0,0]=4 3566 B10R1.408 CNC(=O)[C@@H]1C[C@H]1C(O)=O Amb24055632 [0,1,0,1,0,0|2,0,0]=4 3567 B10R1.408 COC(=O)C1CC1C(=O)Cl Amb25104983 [0,1,0,1,0,0|2,0,0]=4 3568 B10R1.408 COC(=O)C1CC1C(O)=O Amb19314991 [0,1,0,1,0,0|1,0,0]=3 3569 B10R1.408 COC(=O)C1OC1C(N)=O Amb25201928 [0,1,0,1,0,0|1,0,0]=3 3570 B10R1.408 COC(=O)C1OC1C(O)=O Amb25072766 [0,1,0,1,0,0|0,0,0]=2 3571 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25306534 [0,1,0,1,0,0|2,0,0]=4 3572 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(O)=O Amb24183508 [0,1,0,1,0,0|1,0,0]=3 3573 B10R1.408 COC(=O)[C@@H]1O[C@@H]1C(O)=O Amb25799079 [0,1,0,1,0,0|0,0,0]=2 3574 B10R1.408 COC(=O)[C@@H]1O[C@H]1C(O)=O Amb25174796 [0,1,0,1,0,0|0,0,0]=2 3575 B10R1.408 COC(=O)[C@H]1O[C@@H]1C(O)=O Amb24745530 [0,1,0,1,0,0|0,0,0]=2 3576 B10R1.408 COC(=O)[C@H]1O[C@H]1C(O)=O Amb24601831 [0,1,0,1,0,0|0,0,0]=2 3577 B10R1.408 OC(=O)[C@H]1C[C@H]1C(=O)CBr Amb25179520 [0,1,0,1,0,0|2,0,0]=4 3578 B10R1.424 CCC(=O)[C@@]1(C)CC(=O)O1 Amb25712215 [0,1,0,1,0,0|2,0,0]=4 3579 B10R1.424 CCC(=O)[C@]1(C)CC(=O)O1 Amb24698880 [0,1,0,1,0,0|2,0,0]=4 3580 B10R1.424 COC(=O)C1(C)CC(=O)C1 Amb22406222 [0,1,0,1,0,0|2,0,0]=4 3581 B10R1.461 CC1OC1C(O)C(=O)OC Amb24371230 [0,1,0,1,0,0|1,0,1]=4 3582 B10R1.461 COC(=O)C(O)C1CC1=C Amb24466183 [0,1,0,1,0,0|2,0,0]=4 3583 B10R1.461 COC(=O)[C@H](O)[C@@H]1CC1=C Amb25333675 [0,1,0,1,0,0|2,0,0]=4 3584 B10R1.461 C[C@@H]1O[C@H]1[C@@H](O)C(=O)OC Amb25375670 [0,1,0,1,0,0|1,0,1]=4 3585 B10R1.475 CC1(CO)OC(=O)CC1O Amb25204615 [0,1,0,1,0,0|1,0,1]=4 3586 B10R1.30 OC[C@@H]1NC(=O)COC1=O Amb24648743 [0,1,0,1,0,0|2,0,0]=4 3587 B10R1.52 CC[C@@H]1[C@H](NC1=O)C(O)=O Amb25378848 [0,1,0,1,0,0|2,0,0]=4 3588 B10R1.52 CS[C@@H]1[C@H](NC1=O)C(O)=O Amb24700249 [0,1,0,1,0,0|1,1,0]=4 3589 B10R1.113 CC1CC(OCO1)C(O)=O Amb24753574 [0,1,0,1,0,0|1,0,1]=4 3590 B10R1.113 O=C1CCNC(C1)C(=O)O Amb13889089 [0,1,0,1,0,0|2,0,0]=4 3591 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O Amb13889084 [0,1,0,1,0,0|2,0,0]=4 3592 B10R1.113 OC(=O)C1CC(=O)C=CC1 Amb18643491 [0,1,0,1,0,0|2,0,0]=4 3593 B10R1.113 OC(=O)C1CC(=O)C=CO1 Amb25077319 [0,1,0,1,0,0|1,0,0]=3 3594 B10R1.113 OC(=O)C1CC(=O)CC=C1 Amb18643492 [0,1,0,1,0,0|2,0,0]=4 3595 B10R1.113 OC(=O)C1CC(=O)CCO1 Amb22496784 [0,1,0,1,0,0|1,0,0]=3 3596 B10R1.113 OC(=O)C1CC(=O)NC=N1 Amb24099645 [0,1,0,1,0,0|2,0,0]=4 3597 B10R1.113 OC(=O)C1CC(=O)NCC1 Amb18831603 [0,1,0,1,0,0|2,0,0]=4 3598 B10R1.113 OC(=O)C1CC(=O)NNC1 Amb22546429 [0,1,0,1,0,0|2,0,0]=4 3599 B10R1.113 OC(=O)C1COCC(=O)N1 Amb18862478 [0,1,0,1,0,0|2,0,0]=4 3600 B10R1.113 OC(=O)[C@@H]1CC(=O)CCC1 Amb24460815 [0,1,0,1,0,0|2,0,0]=4 3601 B10R1.113 OC(=O)[C@@H]1CCOC(=O)N1 Amb24745665 [0,1,0,1,0,0|2,0,0]=4 3602 B10R1.113 OC(=O)[C@H]1COCC(=O)N1 Amb25235172 [0,1,0,1,0,0|2,0,0]=4 3603 B10R1.234 CC(=O)C1(CC(=O)O1)CC Amb25145529 [0,1,0,1,0,0|2,0,0]=4 3604 B10R1.234 CC(=O)[C@@]1(CC(=O)O1)CC Amb25821400 [0,1,0,1,0,0|2,0,0]=4 3605 B10R1.361 CC(=O)C1CCC1C(O)=O Amb25054556 [0,1,0,1,0,0|2,0,0]=4 3606 B10R1.361 CC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb24514837 [0,1,0,1,0,0|2,0,0]=4 3607 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24671300 [0,1,0,1,0,0|2,0,0]=4 3608 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24366239 [0,1,0,1,0,0|2,0,0]=4 3609 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(O)=O Amb24548230 [0,1,0,1,0,0|2,0,0]=4 3610 B10R1.361 OC(=O)C1CCC1C(=O)Cl Amb24753887 [0,1,0,1,0,0|2,0,0]=4 3611 B10R1.361 OC(=O)C1CCC1C(O)=O Amb19373431 [0,1,0,1,0,0|1,0,0]=3 3612 B10R1.361 OC(=O)C1CNC1C(O)=O Amb24088246 [0,1,0,1,0,0|1,0,0]=3 3613 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)Cl Amb25726019 [0,1,0,1,0,0|2,0,0]=4 3614 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb16230761 [0,1,0,1,0,0|1,0,0]=3 3615 B10R1.361 OC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24182065 [0,1,0,1,0,0|1,0,0]=3 3616 B10R1.361 OC(=O)[C@H]1CC[C@@H]1C(O)=O Amb25267014 [0,1,0,1,0,0|1,0,0]=3 3617 B10R1.361 OC(=O)[C@H]1CN[C@@H]1C(O)=O Amb25225066 [0,1,0,1,0,0|1,0,0]=3 3618 B10R1.361 OC(=O)[C@H]1CN[C@H]1C(O)=O Amb24657216 [0,1,0,1,0,0|1,0,0]=3 3619 B10R1.31 OC(=O)C1CC(C=O)=NN1 Amb25721545 [0,1,0,1,0,0|2,0,0]=4 3620 B10R1.31 OC(=O)C1CC(CC1)=NO Amb24569321 [0,1,0,1,0,0|2,0,0]=4 3621 B10R1.31 OC(=O)C1C\C(\CC1)=N\O Amb23453115 [0,1,0,1,0,0|2,0,0]=4 3622 B10R1.31 OC(=O)[C@H]1CC(CC1)=NO Amb25367253 [0,1,0,1,0,0|2,0,0]=4 3623 B10R1.116 OC(=O)[C@@H](O)[C@H]1CCC1=O Amb24615393 [0,1,0,1,0,0|1,0,0]=3 3624 B10R1.116 OC(=O)[C@H](O)[C@@H]1CCC1=O Amb25246299 [0,1,0,1,0,0|1,0,0]=3 3625 B10R1.118 CC1OC(=O)C(O)CC1O Amb25051397 [0,1,0,1,0,0|1,0,1]=4 3626 B10R1.118 C[C@@H]1OC(O)C(=O)C[C@H]1O Amb24602926 [0,1,0,1,0,0|1,0,1]=4 3627 B10R1.118 OC1CC(=O)C(O)CC1O Amb24433820 [0,1,0,1,0,0|1,0,1]=4 3628 B10R1.118 O[C@@H]1CC(=O)[C@@H](O)C[C@H]1O Amb24608642 [0,1,0,1,0,0|1,0,1]=4 3629 B10R1.134 COC(=O)CC(O)C1CO1 Amb24631903 [0,1,0,1,0,0|1,0,1]=4 3630 B10R1.244 COP1(=O)CC(C)C(=O)O1 Amb24349767 [0,1,0,1,0,0|2,0,0]=4 3631 B10R1.412 COC(=O)C1NC(=O)C1Cl Amb25065271 [0,1,0,1,0,0|2,0,0]=4 3632 B10R1.412 COC(=O)[C@H]1NC(=O)[C@H]1N Amb25228328 [0,1,0,1,0,0|2,0,0]=4 3633 B10R1.412 C[C@@H]1[C@@H](NC1=O)C(=O)OC Amb24443385 [0,1,0,1,0,0|2,0,0]=4 3634 B10R1.119 N[C@H]1[C@H](O)[C@@H](O)COC1=O Amb24598514 [0,1,0,1,0,0|1,0,1]=4 3635 B10R1.119 OC1C(=O)OCC(=O)C1=O Amb25146782 [0,1,0,1,0,0|1,0,1]=4 3636 B10R1.119 OC1C(O)C(=O)C=CC1=O Amb25205223 [0,1,0,1,0,0|2,0,0]=4 3637 B10R1.119 OC1COC(=O)C(O)C1O Amb25714453 [0,1,0,1,0,0|1,0,1]=4 3638 B10R1.119 O[C@@H]1[C@H](O)C(=O)C=CC1=O Amb24478143 [0,1,0,1,0,0|2,0,0]=4 3639 B10R2.73 O=C1C=CC(=O)C2OC12 Amb24363955 [0,0,0,2,0,0|2,0,0]=4 3640 B10R2.73 O=C1CCC(=O)C2OC12 Amb24643550 [0,0,0,2,0,0|2,0,0]=4 3641 B10R2.73 OC1COC(=O)C2OC21 Amb24556696 [0,0,0,2,0,0|1,0,1]=4 3642 B8R0.28 C=C(Br)CNCC(O)=O Amb18303844 [1,0,0,0,0,1|2,0,0]=4 3643 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [1,0,0,0,0,1|2,0,0]=4 3644 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [1,0,0,0,0,1|2,0,0]=4 3645 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [1,0,0,0,0,1|2,0,0]=4 3646 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [1,0,0,0,0,1|2,0,0]=4 3647 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [1,0,0,0,0,1|2,0,0]=4 3648 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,1|1,0,0]=3 3649 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,1|2,0,0]=4 3650 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,1|2,0,0]=4 3651 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [1,0,0,0,0,1|2,0,0]=4 3652 B8R0.28 CC(=O)CNCC(C)=O Amb22168687 [1,0,0,0,0,1|2,0,0]=4 3653 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [1,0,0,0,0,1|1,0,0]=3 3654 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [1,0,0,0,0,1|2,0,0]=4 3655 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [1,0,0,0,0,1|2,0,0]=4 3656 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [1,0,0,0,0,1|1,0,1]=4 3657 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [1,0,0,0,0,1|1,0,1]=4 3658 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [1,0,0,0,0,1|1,0,0]=3 3659 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [1,0,0,0,0,1|2,0,0]=4 3660 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [1,0,0,0,0,1|1,0,1]=4 3661 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [1,0,0,0,0,1|1,1,0]=4 3662 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [1,0,0,0,0,1|2,0,0]=4 3663 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [1,0,0,0,0,1|1,0,1]=4 3664 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [1,0,0,0,0,1|1,0,1]=4 3665 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [1,0,0,0,0,1|2,0,0]=4 3666 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [1,0,0,0,0,1|1,0,1]=4 3667 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [1,0,0,0,0,1|2,0,0]=4 3668 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [1,0,0,0,0,1|2,0,0]=4 3669 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [1,0,0,0,0,1|2,0,0]=4 3670 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [1,0,0,0,0,1|2,0,0]=4 3671 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [1,0,0,0,0,1|2,0,0]=4 3672 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,1|1,0,0]=3 3673 B8R0.28 O=C(Cl)CNCC(=O)Cl Amb25360798 [1,0,0,0,0,1|2,0,0]=4 3674 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,1|2,0,0]=4 3675 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [1,0,0,0,0,1|0,0,1]=3 3676 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,1|0,0,2]=4 3677 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [1,0,0,0,0,1|2,0,0]=4 3678 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [1,0,0,0,0,1|2,0,0]=4 3679 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [1,0,0,0,0,1|1,0,0]=3 3680 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [1,0,0,0,0,1|0,0,0]=2 3681 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [1,0,0,0,0,1|0,0,0]=2 3682 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [1,0,0,0,0,1|1,0,0]=3 3683 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [1,0,0,0,0,1|1,0,0]=3 3684 B8R0.28 OC(=O)CCNC(S)=S Amb25765722 [1,0,0,0,0,1|0,2,0]=4 3685 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [1,0,0,0,0,1|2,0,0]=4 3686 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [1,0,0,0,0,1|1,0,0]=3 3687 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [1,0,0,0,0,1|1,0,1]=4 3688 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [1,0,0,0,0,1|1,0,0]=3 3689 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [1,0,0,0,0,1|1,0,0]=3 3690 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [1,0,0,0,0,1|0,0,1]=3 3691 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [1,0,0,0,0,1|2,0,0]=4 3692 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [1,0,0,0,0,1|0,1,0]=3 3693 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [1,0,0,0,0,1|0,0,2]=4 3694 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [1,0,0,0,0,1|0,0,0]=2 3695 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [1,0,0,0,0,1|0,0,2]=4 3696 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb20246814 [1,0,0,0,0,1|0,0,2]=4 3697 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb22351624 [1,0,0,0,0,1|0,0,2]=4 3698 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [1,0,0,0,0,1|1,0,1]=4 3699 B8R0.28 [O-][N+](=O)OCCC(O)=O Amb21953424 [1,0,0,0,0,1|1,0,1]=4 3700 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [0,0,0,0,0,2|1,0,1]=4 3701 B10R0.96 CC(=O)NCC(C)CC(O)=O Amb25385229 [0,0,0,0,0,2|2,0,0]=4 3702 B10R0.96 CC(=O)NC[C@H](C)CC(O)=O Amb25384945 [0,0,0,0,0,2|2,0,0]=4 3703 B10R0.96 CC(C)=CC(O)CCC(O)=O Amb25384601 [0,0,0,0,0,2|2,0,0]=4 3704 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [0,0,0,0,0,2|1,0,1]=4 3705 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [0,0,0,0,0,2|2,0,0]=4 3706 B10R0.96 NC(=N)NC[C@H](O)CC(O)=O Amb25386387 [0,0,0,0,0,2|2,0,0]=4 3707 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,0,0,0,0,2|2,0,0]=4 3708 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,0,0,0,0,2|2,0,0]=4 3709 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,0,0,0,0,2|1,0,0]=3 3710 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,0,0,0,0,2|1,0,0]=3 3711 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [0,0,0,0,0,2|0,0,2]=4 3712 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,0,0,0,0,2|1,0,0]=3 3713 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [0,0,0,0,0,2|0,0,2]=4 3714 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [0,0,0,0,0,2|0,0,0]=2 3715 B10R0.98 CC(=C)C(O)C\C=C/C(O)=O Amb25385237 [0,0,0,0,0,2|2,0,0]=4 3716 B10R0.98 CC(=NOCC(O)=O)C(O)=O Amb25384896 [0,0,0,0,0,2|1,0,1]=4 3717 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,0,0,0,0,2|2,0,0]=4 3718 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,0,0,0,0,2|2,0,0]=4 3719 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,0,0,0,0,2|2,0,0]=4 3720 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [0,0,0,0,0,2|2,0,0]=4 3721 B10R0.98 CC(=O)NSCC(C)C(O)=O Amb21929061 [0,0,0,0,0,2|2,0,0]=4 3722 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,0,0,0,0,2|2,0,0]=4 3723 B10R0.98 CC(C)=CCCC(O)C(O)=O Amb24762777 [0,0,0,0,0,2|2,0,0]=4 3724 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,0,0,0,0,2|1,0,0]=3 3725 B10R0.98 CC(NCCC(O)=O)C(O)=O Amb18098310 [0,0,0,0,0,2|1,0,0]=3 3726 B10R0.98 CC(S\C=C\C(O)=O)C(O)=O Amb18647961 [0,0,0,0,0,2|1,0,1]=4 3727 B10R0.98 C\C(=C/CCC(O)=O)\C(O)=O Amb25385138 [0,0,0,0,0,2|1,0,1]=4 3728 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,0,0,0,0,2|2,0,0]=4 3729 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,0,0,0,0,2|2,0,0]=4 3730 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,0,0,0,0,2|1,1,0]=4 3731 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,0,0,0,0,2|2,0,0]=4 3732 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,0,0,0,0,2|2,0,0]=4 3733 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,0,0,0,0,2|1,1,0]=4 3734 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,0,0,0,0,2|1,0,0]=3 3735 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,0,0,0,0,2|1,0,0]=3 3736 B10R0.98 NC(C\C=C\C(O)=O)C(O)=O Amb18126177 [0,0,0,0,0,2|1,0,0]=3 3737 B10R0.98 NC(N=NCC(O)=O)C(O)=O Amb25384237 [0,0,0,0,0,2|1,0,0]=3 3738 B10R0.98 NC(\N=N/CC(O)=O)C(O)=O Amb25383166 [0,0,0,0,0,2|1,0,0]=3 3739 B10R0.98 N[C@@H](C\C=C\C(O)=O)C(O)=O Amb24763009 [0,0,0,0,0,2|1,0,0]=3 3740 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,0,0,0,0,2|1,0,0]=3 3741 B10R0.98 N[C@H](C\C=C\C(O)=O)C(O)=O Amb25383155 [0,0,0,0,0,2|1,0,0]=3 3742 B10R0.98 OC(=C\C=C\C(O)=O)C(O)=O Amb25209357 [0,0,0,0,0,2|0,0,2]=4 3743 B10R0.98 OC(=O)C(=O)C\C=C\C(O)=O Amb24766946 [0,0,0,0,0,2|0,0,2]=4 3744 B10R0.98 OC(=O)C(O)\C=C\CC(O)=O Amb25383439 [0,0,0,0,0,2|0,0,0]=2 3745 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,0,0,0,0,2|0,0,0]=2 3746 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,0,0,0,0,2|0,0,0]=2 3747 B10R0.98 OC(=O)CCSC(C(=O)O)C Amb17501234 [0,0,0,0,0,2|1,0,0]=3 3748 B10R0.98 OC(=O)CONC(=O)C(=O)O Amb16185780 [0,0,0,0,0,2|0,0,2]=4 3749 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,0,0,0,0,2|1,0,0]=3 3750 B10R0.98 OC(=O)\C(\O)=C/SCC(O)=O Amb25386410 [0,0,0,0,0,2|0,0,1]=3 3751 B10R0.98 [O-]C(=O)CCCC(O)C([O-])=O Amb22284811 [0,0,0,0,0,2|0,0,2]=4