0 B11R0.29 CC(=O)CCCCC(N)C(=O)O Amb33065945 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.29 CC(=O)CCCCC(N)C(N)=O Amb33308578 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.29 CC(=O)CCCC[C@@H](N)C(=O)O Amb33066091 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.29 CC(=O)CCCC[C@H](N)C(=O)O Amb33037049 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb33068968 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.29 CC(=O)NCCNC(C)C(=O)O Amb9326973 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.29 CC(=O)NCSCC(N)C(=O)O Amb30623754 [0,0,0,0,0,0|3,0,0]=3 7 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb22745261 [0,0,0,0,0,0|3,0,0]=3 8 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O Amb23438964 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O Amb22349445 [0,0,0,0,0,0|3,0,0]=3 10 B11R0.29 CC(C)=CCSCC(N)C(=O)O Amb9726238 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.29 CC(C)=CCSC[C@H](N)C(=O)O Amb30584848 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.29 CC(C)OCCCC(N)C(=O)O Amb33036640 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.29 CC(C)OCCC[C@@H](N)C(=O)O Amb33308958 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.29 CC(C)OCCC[C@H](N)C(=O)O Amb33127511 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.29 CN(C)CCCCC(N)C(=O)O Amb32796898 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.29 CN(C)CCCC[C@@H](N)C(=O)O Amb33065657 [0,0,0,0,0,0|4,0,0]=4 17 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O Amb33309085 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O Amb33778932 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.29 N=C(N)CCSCC(=O)C(=O)O Amb33069781 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb1151252 [0,0,0,0,0,0|0,0,0]=0 21 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32644498 [0,0,0,0,0,0|0,0,0]=0 22 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb32664990 [0,0,0,0,0,0|0,0,0]=0 23 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb6609047 [0,0,0,0,0,0|0,0,0]=0 24 B11R0.29 N=C(N)NCCCC(N)C(=O)O Amb8387122 [0,0,0,0,0,0|0,0,0]=0 25 B11R0.29 N=C(N)NCCCC(O)C(=O)O Amb22730085 [0,0,0,0,0,0|1,0,0]=1 26 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745064 [0,0,0,0,0,0|0,0,0]=0 27 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745189 [0,0,0,0,0,0|0,0,0]=0 28 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745210 [0,0,0,0,0,0|0,0,0]=0 29 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22745921 [0,0,0,0,0,0|0,0,0]=0 30 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb22801409 [0,0,0,0,0,0|0,0,0]=0 31 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2718762 [0,0,0,0,0,0|0,0,0]=0 32 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb2720084 [0,0,0,0,0,0|0,0,0]=0 33 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Amb32411788 [0,0,0,0,0,0|0,0,0]=0 34 B11R0.29 N=C(N)NCCC[C@@H](N)C(N)=O Amb8390378 [0,0,0,0,0,0|1,0,0]=1 35 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb16232497 [0,0,0,0,0,0|0,0,0]=0 36 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb17942891 [0,0,0,0,0,0|0,0,0]=0 37 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2698266 [0,0,0,0,0,0|0,0,0]=0 38 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb2759781 [0,0,0,0,0,0|0,0,0]=0 39 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb32644822 [0,0,0,0,0,0|0,0,0]=0 40 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Amb3940700 [0,0,0,0,0,0|0,0,0]=0 41 B11R0.29 N=C(N)NCCC[C@H](N)C(N)=O Amb16232536 [0,0,0,0,0,0|1,0,0]=1 42 B11R0.29 N=C(N)NOCCC(N)C(=O)O Amb22261558 [0,0,0,0,0,0|1,0,0]=1 43 B11R0.29 NC(=O)NCCCC(N)C(=O)O Amb3499394 [0,0,0,0,0,0|1,0,0]=1 44 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Amb8629519 [0,0,0,0,0,0|1,0,0]=1 45 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb22169596 [0,0,0,0,0,0|1,0,0]=1 46 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Amb2718751 [0,0,0,0,0,0|1,0,0]=1 47 B11R0.29 NC(CCCCC(=O)O)C(=O)O Amb2760482 [0,0,0,0,0,0|3,0,0]=3 48 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb32660941 [0,0,0,0,0,0|4,0,0]=4 49 B11R0.29 NC(CCSCC(=O)O)C(=O)O Amb33552542 [0,0,0,0,0,0|4,0,0]=4 50 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb32686887 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.29 NC(CC\C=C\C(=O)O)C(=O)O Amb33470155 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.29 NC(N)=NCCCC(N)C(=O)O Amb19866551 [0,0,0,0,0,0|0,0,2]=2 53 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O Amb22746360 [0,0,0,0,0,0|3,0,0]=3 54 B10R0.55 NC(=O)NCCC\C(N)=N\O Amb18182508 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.75 C=CCCCCC(N)C(=O)O Amb34184143 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.75 C=CCCCC[C@@H](N)C(=O)O Amb22747247 [1,0,0,0,0,0|2,0,0]=3 57 B10R0.75 C=CCCCC[C@H](N)C(=O)O Amb22270014 [1,0,0,0,0,0|2,0,0]=3 58 B10R0.75 C=CCOCCC(N)C(=O)O Amb33065557 [1,0,0,0,0,0|3,0,0]=4 59 B10R0.75 C=CCOCC[C@@H](N)C(=O)O Amb33065682 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.75 C=CCOCC[C@H](N)C(=O)O Amb33065627 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.75 C=CCSCCC(N)C(=O)O Amb18180511 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.75 C=CCSCCC(N)C(=O)O Amb32663205 [1,0,0,0,0,0|3,0,0]=4 63 B10R0.75 C=CCSCC[C@H](N)C(=O)O Amb32663418 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.75 C=CCSCC[C@H](N)C(=O)O Amb32663419 [1,0,0,0,0,0|3,0,0]=4 65 B10R0.75 C=C\C=C\CCC(N)C(=O)O Amb33308773 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.75 C=C\C=C\CC[C@@H](N)C(=O)O Amb33309012 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.75 C=C\C=C\CC[C@H](N)C(=O)O Amb33066030 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.75 CC#CCCCC(N)C(=O)O Amb27673466 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.75 CCCCCCC(N)C(=O)O Amb2613445 [1,0,0,0,0,0|2,0,1]=4 70 B10R0.75 CCCCCC[C@@H](N)C(=O)O Amb16183913 [1,0,0,0,0,0|2,0,1]=4 71 B10R0.75 CCCCCC[C@H](N)C(=O)O Amb16183914 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.75 CCOCCCC(N)C(=O)O Amb33036943 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.75 CCOCCC[C@@H](N)C(=O)O Amb33065544 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.75 CCOCCC[C@H](N)C(=O)O Amb33065515 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.75 CCSCCCC(N)C(=O)O Amb32865930 [1,0,0,0,0,0|2,0,1]=4 76 B10R0.75 CCSCCC[C@@H](N)C(=O)O Amb33066174 [1,0,0,0,0,0|2,0,1]=4 77 B10R0.75 CCSCCC[C@H](N)C(=O)O Amb32937037 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.75 CNCCCC[C@H](N)C(=O)O Amb33786042 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.75 COCCCCC(N)C(=O)O Amb33066324 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.75 COCCCC[C@@H](N)C(=O)O Amb33308996 [1,0,0,0,0,0|3,0,0]=4 81 B10R0.75 COCCCC[C@H](N)C(=O)O Amb33036987 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.75 N#CCCCCC(N)C(=O)O Amb33042685 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.75 N#CCCCC[C@@H](N)C(=O)O Amb33308868 [1,0,0,0,0,0|1,0,2]=4 84 B10R0.75 N#CCCCC[C@H](N)C(=O)O Amb32788598 [1,0,0,0,0,0|1,0,2]=4 85 B10R0.75 N#[N+][N-]CCC[C@H](N)C(=O)O Amb33826504 [1,0,0,0,0,0|1,0,2]=4 86 B10R0.75 NC(CCCCCF)C(=O)O Amb33036467 [1,0,0,0,0,0|2,0,1]=4 87 B10R0.75 NC(CCCCCO)C(=O)O Amb33037096 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.75 NCCCSCC(N)C(=O)O Amb28652964 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.75 NCCCSCC(N)C(=O)O Amb32652572 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.75 NCCOCCC(N)C(=O)O Amb24081026 [1,0,0,0,0,0|2,0,1]=4 91 B10R0.75 NCCOCCC(N)C(=O)O Amb32652927 [1,0,0,0,0,0|2,0,1]=4 92 B10R0.75 NCCSCCC(N)C(=O)O Amb32652508 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.75 NCCSCCC(N)C(=O)O Amb32652509 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.75 N[C@@H](CCCCCF)C(=O)O Amb33065721 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.75 N[C@@H](CCCCCO)C(=O)O Amb33308918 [1,0,0,0,0,0|2,0,1]=4 96 B10R0.75 N[C@H](CCCCCF)C(=O)O Amb33036618 [1,0,0,0,0,0|2,0,1]=4 97 B10R0.75 N[C@H](CCCCCO)C(=O)O Amb33065614 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.97 C=C(Br)CCCCCC(=O)O Amb6299586 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.97 C=C(C)CCCCCC(=O)O Amb6299589 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.97 C=C(Cl)CCCCCC(=O)O Amb6299582 [1,0,0,0,0,0|3,0,0]=4 101 B10R0.97 C=C(F)CCCCCC(=O)O Amb22641493 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.97 CC(=O)CCCCCC(=O)O Amb3939939 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.97 CC(=O)NCCCCC(=O)O Amb22330473 [1,0,0,0,0,0|2,0,0]=3 104 B10R0.97 CC(=O)NCCOCC(=O)O Amb24271178 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.97 CC(=O)NCSCCC(=O)O Amb3941448 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.97 N=C(N)NCCCCC(=O)O Amb23523074 [1,0,0,0,0,0|0,0,0]=1 107 B10R0.97 NC(=O)NCCCCC(=O)O Amb1154252 [1,0,0,0,0,0|1,0,0]=2 108 B10R0.97 O=C(O)CCCCCC(=O)O Amb2720869 [1,0,0,0,0,0|3,0,0]=4 109 B12R0.86 COC(=O)C(N)CCCCC(C)=O Amb33308871 [0,1,0,0,0,0|3,0,0]=4 110 B12R0.86 COC(=O)C(N)CCCNC(=N)N Amb32752614 [0,1,0,0,0,0|0,0,0]=1 111 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N Amb16232499 [0,1,0,0,0,0|0,0,0]=1 112 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N Amb8395171 [0,1,0,0,0,0|0,0,0]=1 113 B12R0.86 COC(=O)[C@@H](N)CCCNC(N)=O Amb31030964 [0,1,0,0,0,0|1,0,0]=2 114 B12R0.86 COC(=O)[C@@H](N)CCCNC(N)=O Amb34149157 [0,1,0,0,0,0|1,0,0]=2 115 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N Amb33624961 [0,1,0,0,0,0|1,0,0]=2 116 B12R0.86 COC(=O)[C@H](N)CCCN=C(N)N Amb33757805 [0,1,0,0,0,0|0,0,2]=3 117 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O Amb34152439 [0,1,0,0,0,0|0,0,0]=1 118 B12R0.627 CC(C)N(C)CCCC(N)C(=O)O Amb33321362 [0,1,0,0,0,0|2,0,1]=4 119 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O Amb533293 [0,1,0,0,0,0|3,0,0]=4 120 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O Amb33524015 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.104 N=C1C[C@H](C[C@H](N)C(=O)O)CN1 Amb28385621 [0,0,0,1,0,0|1,0,0]=2 122 B12R1.104 NC1=NC(CC(N)C(=O)O)CN1 Amb25343273 [0,0,0,1,0,0|0,0,0]=1 123 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O Amb19133014 [0,0,0,1,0,0|1,0,2]=4 124 B12R1.104 N[C@H](CC1=CNC(=S)N1)C(=O)O Amb25827584 [0,0,0,1,0,0|1,0,2]=4 125 B12R1.104 Nc1nc(CC(N)C(=O)O)cs1 Amb25109207 [0,0,0,1,0,0|1,0,2]=4 126 B12R1.104 Nc1nc(CC(N)C(=O)O)cs1 Amb33803281 [0,0,0,1,0,0|1,0,2]=4 127 B12R1.110 CN1CC(CSC(=N)N)OC1=O Amb35691118 [0,0,0,1,0,0|3,0,0]=4 128 B12R1.225 N=C1NCC[C@H]([C@H](N)C(=O)O)N1 Amb27459121 [0,0,0,1,0,0|0,0,0]=1 129 B12R1.225 NC(C(=O)O)C1CCCC(=O)C1 Amb25310755 [0,0,0,1,0,0|3,0,0]=4 130 B12R1.225 N[C@@H](C(=O)O)C1CCCC(=O)C1 Amb26505072 [0,0,0,1,0,0|3,0,0]=4 131 B12R1.225 N[C@H](C(=O)O)C1CCCC(=O)C1 Amb28244348 [0,0,0,1,0,0|3,0,0]=4 132 B12R1.258 CC(=O)N1CCCC(C(=O)O)C1 Amb9745657 [0,0,0,1,0,0|3,0,0]=4 133 B12R1.258 CC(=O)N1CCC[C@@H](C(=O)O)C1 Amb24062231 [0,0,0,1,0,0|3,0,0]=4 134 B12R1.258 CC(=O)N1CCC[C@H](C(=O)O)C1 Amb24062233 [0,0,0,1,0,0|3,0,0]=4 135 B12R1.258 N=C(N)C1CCCC(C(N)=O)C1 Amb28286795 [0,0,0,1,0,0|3,0,0]=4 136 B12R1.258 N=C(N)N1CCCC(C(=O)O)C1 Amb27984736 [0,0,0,1,0,0|1,0,0]=2 137 B12R1.258 NC(=O)C1CCCC(C(=O)O)C1 Amb33541891 [0,0,0,1,0,0|3,0,0]=4 138 B12R1.258 NC(=O)C1CCCC(C(N)=O)N1 Amb27814311 [0,0,0,1,0,0|3,0,0]=4 139 B12R1.258 NC(=O)C1CCCN(C(N)=O)C1 Amb1086751 [0,0,0,1,0,0|3,0,0]=4 140 B12R1.258 NC(=O)N1CCCC(C(=O)O)C1 Amb9745675 [0,0,0,1,0,0|2,0,0]=3 141 B12R1.258 NC(=O)N1CCC[C@H](C(=O)O)C1 Amb27948352 [0,0,0,1,0,0|2,0,0]=3 142 B12R1.258 NC(=O)N1CCSC(C(=O)O)C1 Amb35660177 [0,0,0,1,0,0|3,0,0]=4 143 B12R1.258 O=C(O)C1CCCC(C(=O)O)N1 Amb5717460 [0,0,0,1,0,0|3,0,0]=4 144 B12R1.258 O=C(O)C1CCCN(C(=O)Cl)C1 Amb32863836 [0,0,0,1,0,0|3,0,0]=4 145 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1 Amb27165212 [0,0,0,1,0,0|3,0,0]=4 146 B12R1.389 CC(=O)NC1CCC(C(=O)O)C1 Amb27878808 [0,0,0,1,0,0|3,0,0]=4 147 B12R1.389 NC(=O)N[C@@H]1CC[C@H](C(=O)O)C1 Amb27241312 [0,0,0,1,0,0|2,0,0]=3 148 B12R1.389 O=C(O)CC1CCC(C(=O)O)N1 Amb27794812 [0,0,0,1,0,0|3,0,0]=4 149 B12R1.1349 N=C(N)NCC1CC1(N)C(=O)O Amb27607724 [0,0,0,1,0,0|0,0,0]=1 150 B12R1.1349 N=C(N)NC[C@@H]1C[C@@]1(N)C(=O)O Amb27845472 [0,0,0,1,0,0|0,0,0]=1 151 B12R1.1382 N[C@H](C(=O)O)C1CCC1C(=O)O Amb27756465 [0,0,0,1,0,0|3,0,0]=4 152 B12R1.1382 N[C@H](C(=O)O)[C@H]1CC[C@@H]1C(=O)O Amb28320747 [0,0,0,1,0,0|3,0,0]=4 153 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O Amb28061077 [0,0,0,1,0,0|3,0,0]=4 154 B12R1.1388 CC(=O)N1CCC[C@@]1(C)C(=O)O Amb27268479 [0,0,0,1,0,0|3,0,0]=4 155 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O Amb22504332 [0,0,0,1,0,0|3,0,0]=4 156 B12R1.1388 CC1(C(=O)O)CCCN1C(N)=O Amb27774841 [0,0,0,1,0,0|2,0,0]=3 157 B12R1.1388 N=C(N)N1CCCC1(O)C(=O)O Amb28385674 [0,0,0,1,0,0|1,0,0]=2 158 B12R1.1388 N[C@]1(C(=O)O)CCC[C@@H]1C(=O)O Amb27236998 [0,0,0,1,0,0|3,0,0]=4 159 B12R1.1388 N[C@]1(C(=O)O)CCC[C@H]1C(=O)O Amb25089845 [0,0,0,1,0,0|3,0,0]=4 160 B12R1.2709 CC1(C(=O)O)CCCCC(=O)N1 Amb22641232 [0,0,0,1,0,0|3,0,0]=4 161 B10R0.98 CC(=O)CCCC(N)C(=O)O Amb33036722 [0,0,0,0,1,0|2,0,0]=3 162 B10R0.98 CC(=O)CCCC(N)C(N)=O Amb33308963 [0,0,0,0,1,0|3,0,0]=4 163 B10R0.98 CC(=O)CCC[C@@H](N)C(=O)O Amb32937025 [0,0,0,0,1,0|2,0,0]=3 164 B10R0.98 CC(=O)CCC[C@H](N)C(=O)O Amb32865922 [0,0,0,0,1,0|2,0,0]=3 165 B10R0.98 CC(=O)NCCC(C)C(=O)O Amb27270987 [0,0,0,0,1,0|3,0,0]=4 166 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O Amb26659493 [0,0,0,0,1,0|2,0,0]=3 167 B10R0.98 CC(=O)NCC[C@H](O)C(=O)O Amb27670710 [0,0,0,0,1,0|3,0,0]=4 168 B10R0.98 CC(C)=CCCC(N)C(=O)O Amb27001257 [0,0,0,0,1,0|2,0,1]=4 169 B10R0.98 CC(C)=CCC[C@@H](N)C(=O)O Amb33065465 [0,0,0,0,1,0|2,0,1]=4 170 B10R0.98 CC(C)=CCC[C@H](N)C(=O)O Amb25383796 [0,0,0,0,1,0|2,0,1]=4 171 B10R0.98 CC(C)CCCC(N)C(=O)O Amb30584746 [0,0,0,0,1,0|2,0,1]=4 172 B10R0.98 CC(C)CCCC(N)C(=O)O Amb32679429 [0,0,0,0,1,0|2,0,1]=4 173 B10R0.98 CC(C)CCC[C@@H](N)C(=O)O Amb22745714 [0,0,0,0,1,0|2,0,1]=4 174 B10R0.98 CC(C)CCC[C@H](N)C(=O)O Amb34161240 [0,0,0,0,1,0|2,0,1]=4 175 B10R0.98 CC(CCNC(N)=O)C(=O)O Amb27270986 [0,0,0,0,1,0|2,0,0]=3 176 B10R0.98 CC(N)CCCC(C)C(=O)O Amb19337779 [0,0,0,0,1,0|2,0,1]=4 177 B10R0.98 CC(N)CCCC(C)C(=O)O Amb22059651 [0,0,0,0,1,0|2,0,1]=4 178 B10R0.98 CC(O)CCCC(N)C(=O)O Amb32941153 [0,0,0,0,1,0|2,0,1]=4 179 B10R0.98 CC(O)CCC[C@@H](N)C(=O)O Amb33066250 [0,0,0,0,1,0|2,0,1]=4 180 B10R0.98 CC(O)CCC[C@H](N)C(=O)O Amb33127508 [0,0,0,0,1,0|2,0,1]=4 181 B10R0.98 CN(C)CCCC(N)C(=O)O Amb18199837 [0,0,0,0,1,0|3,0,0]=4 182 B10R0.98 CN(C)CCC[C@@H](N)C(=O)O Amb31295703 [0,0,0,0,1,0|3,0,0]=4 183 B10R0.98 CN(C)CCC[C@H](N)C(=O)O Amb33036715 [0,0,0,0,1,0|3,0,0]=4 184 B10R0.98 N=C(N)CSCC(=O)C(=O)O Amb33069780 [0,0,0,0,1,0|2,0,1]=4 185 B10R0.98 N=C(N)NCC[C@@H](N)C(=O)O Amb27266501 [0,0,0,0,1,0|0,0,0]=1 186 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O Amb20240584 [0,0,0,0,1,0|0,0,0]=1 187 B10R0.98 NC(=O)NCCC(O)C(=O)O Amb27670719 [0,0,0,0,1,0|2,0,0]=3 188 B10R0.98 NC(=O)NCC[C@H](O)C(=O)O Amb27670720 [0,0,0,0,1,0|2,0,0]=3 189 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb22740152 [0,0,0,0,1,0|2,0,0]=3 190 B10R0.98 NC(CCCC(=O)O)C(=O)O Amb6334822 [0,0,0,0,1,0|2,0,0]=3 191 B10R0.98 NC(CCCC(F)F)C(=O)O Amb32788578 [0,0,0,0,1,0|2,0,1]=4 192 B10R0.98 NC(CSCC(=O)O)C(=O)O Amb6740297 [0,0,0,0,1,0|3,0,0]=4 193 B10R0.98 NC(N)=NCCC(N)C(=O)O Amb22492813 [0,0,0,0,1,0|0,0,2]=3 194 B10R0.98 NC(N)=NCC[C@H](N)C(=O)O Amb33842525 [0,0,0,0,1,0|0,0,2]=3 195 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O Amb6600090 [0,0,0,0,1,0|2,0,0]=3 196 B10R0.98 N[C@@H](CCCC(F)F)C(=O)O Amb33066046 [0,0,0,0,1,0|2,0,1]=4 197 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb16232500 [0,0,0,0,1,0|3,0,0]=4 198 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Amb6336477 [0,0,0,0,1,0|3,0,0]=4 199 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Amb8629031 [0,0,0,0,1,0|2,0,0]=3 200 B10R0.98 N[C@H](CCCC(F)F)C(=O)O Amb33309003 [0,0,0,0,1,0|2,0,1]=4 201 B10R0.98 O=C(O)CCCC(O)C(=O)O Amb21963897 [0,0,0,0,1,0|3,0,0]=4 202 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O Amb24323525 [0,0,0,0,0,1|2,0,0]=3 203 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O Amb3499375 [0,0,0,0,0,1|2,0,0]=3 204 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O Amb6364971 [0,0,0,0,0,1|2,0,0]=3 205 B12R0.42 N=C(N)CCCSCC(=O)C(=O)O Amb33069783 [0,0,0,0,0,1|2,0,1]=4 206 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O Amb19132515 [0,0,0,0,0,1|0,0,0]=1 207 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O Amb8390367 [0,0,0,0,0,1|0,0,0]=1 208 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O Amb6365045 [0,0,0,0,0,1|0,0,0]=1 209 B12R0.42 NC(=O)NCCCCC(N)C(=O)O Amb6340311 [0,0,0,0,0,1|1,0,0]=2 210 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O Amb16183831 [0,0,0,0,0,1|1,0,0]=2 211 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Amb16184037 [0,0,0,0,0,1|1,0,0]=2 212 B12R0.42 NC(CCCCCC(=O)O)C(=O)O Amb10807509 [0,0,0,0,0,1|3,0,0]=4 213 B12R0.42 NC(N)=NCCCCC(N)C(=O)O Amb22492664 [0,0,0,0,0,1|0,0,2]=3 214 B12R0.42 NC(N)=NCCCC[C@H](N)C(=O)O Amb16232108 [0,0,0,0,0,1|0,0,2]=3 215 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O Amb17678794 [0,0,0,0,0,1|3,0,0]=4 216 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O Amb33757551 [0,0,0,0,0,1|3,0,0]=4 217 B9R0.2 C=CCCCCCC(=O)O Amb6299579 [2,0,0,0,0,0|2,0,0]=4 218 B9R0.2 C=CCCCCNC(=N)N Amb27473337 [2,0,0,0,0,0|1,0,0]=3 219 B9R0.2 C=CCOCCNC(=N)N Amb28292127 [2,0,0,0,0,0|2,0,0]=4 220 B9R0.2 CC(=O)NCCCCC=O Amb24524516 [2,0,0,0,0,0|2,0,0]=4 221 B9R0.2 CCNCCCCC(=O)O Amb24385094 [2,0,0,0,0,0|1,0,1]=4 222 B9R0.2 CCNCCCCC(=O)O Amb32686610 [2,0,0,0,0,0|1,0,1]=4 223 B9R0.2 CSCCCCNC(=N)N Amb27863143 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.2 C\C=C\CCCCC(=O)O Amb18643887 [2,0,0,0,0,0|2,0,0]=4 225 B9R0.2 N=C(N)NCCCCCN Amb25889016 [2,0,0,0,0,0|1,0,1]=4 226 B9R0.2 N=C(N)NCCCCCO Amb19823705 [2,0,0,0,0,0|0,0,1]=3 227 B9R0.2 N=C(N)NCCOCCO Amb27216518 [2,0,0,0,0,0|1,0,1]=4 228 B9R0.2 NC(=O)CCCCNC=O Amb27232578 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,1]=4 230 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,1]=4 231 B9R0.2 NOCCCCCC(=O)O Amb32708458 [2,0,0,0,0,0|2,0,0]=4 232 B9R0.2 O=C(O)CCCC\C=C\Br Amb26542054 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.2 O=CNCCSCC(=O)O Amb28399802 [2,0,0,0,0,0|2,0,0]=4 235 B9R0.55 CC(=N)NCCCC(C)N Amb27252018 [2,0,0,0,0,0|1,0,1]=4 236 B9R0.55 CC(C)CCCNC(=N)N Amb27784893 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.55 N=C(N)NCCCC(=O)O Amb9813713 [2,0,0,0,0,0|1,0,1]=4 238 B9R0.55 N=C(N)NCCCC(N)=O Amb24477974 [2,0,0,0,0,0|0,0,1]=3 239 B9R0.47 C#CCCCC(N)C(=O)O Amb27947457 [2,0,0,0,0,0|1,0,1]=4 240 B9R0.47 C#CCCCC(N)C(=O)O Amb33483976 [2,0,0,0,0,0|1,0,1]=4 241 B9R0.47 C#CCCC[C@@H](N)C(=O)O Amb24077358 [2,0,0,0,0,0|1,0,1]=4 242 B9R0.47 C#CCCC[C@H](N)C(=O)O Amb24088878 [2,0,0,0,0,0|1,0,1]=4 243 B9R0.47 C=CCCCC(N)C(=O)O Amb22002149 [2,0,0,0,0,0|1,0,0]=3 244 B9R0.47 C=CCCCC(N)C(=O)O Amb32752542 [2,0,0,0,0,0|1,0,0]=3 245 B9R0.47 C=CCCCC(N)C(N)=O Amb25988690 [2,0,0,0,0,0|2,0,0]=4 246 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb22831130 [2,0,0,0,0,0|1,0,0]=3 247 B9R0.47 C=CCCC[C@@H](N)C(=O)O Amb32687472 [2,0,0,0,0,0|1,0,0]=3 248 B9R0.47 C=CCCC[C@H](N)C(=O)O Amb2699129 [2,0,0,0,0,0|1,0,0]=3 249 B9R0.47 C=CCNCC(N)C(=O)O Amb27945606 [2,0,0,0,0,0|2,0,0]=4 250 B9R0.47 C=CCOCC(N)C(=O)O Amb28048879 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb31030961 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.47 C=CCOC[C@@H](N)C(=O)O Amb32941137 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.47 C=CCOC[C@H](N)C(=O)O Amb24713287 [2,0,0,0,0,0|2,0,0]=4 254 B9R0.47 C=CCSCC(N)C(=O)O Amb6270069 [2,0,0,0,0,0|2,0,0]=4 255 B9R0.47 C=CCSC[C@@H](N)C(=O)O Amb10843878 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.47 C=CCSC[C@H](N)C(=O)O Amb22231426 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.47 C=CSCCC(N)C(=O)O Amb26658187 [2,0,0,0,0,0|2,0,0]=4 258 B9R0.47 CC(CCCCN)C(=O)O Amb31031269 [2,0,0,0,0,0|1,0,1]=4 259 B9R0.47 CC(CCNC=O)C(=O)O Amb27474434 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.47 CCCCCC(N)C(=O)O Amb4134810 [2,0,0,0,0,0|1,0,1]=4 261 B9R0.47 CCCCC[C@@H](N)C(=O)O Amb22745982 [2,0,0,0,0,0|1,0,1]=4 262 B9R0.47 CCCCC[C@H](N)C(=O)O Amb17943098 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.47 CCNCCC(N)C(=O)O Amb932772 [2,0,0,0,0,0|1,0,1]=4 264 B9R0.47 CCNCC[C@@H](N)C(=O)O Amb28520031 [2,0,0,0,0,0|1,0,1]=4 265 B9R0.47 CNCCCC(N)C(=O)O Amb18644279 [2,0,0,0,0,0|0,0,1]=3 266 B9R0.47 CNOCC[C@H](N)C(=O)O Amb27405026 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.47 COCCCC(N)C(=O)O Amb22058809 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.47 COCCCC(N)C(=O)O Amb33549526 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.47 COCCC[C@@H](N)C(=O)O Amb25081508 [2,0,0,0,0,0|1,0,1]=4 270 B9R0.47 COCCC[C@H](N)C(=O)O Amb25378737 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.47 CONCC[C@H](N)C(=O)O Amb27623933 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.47 CSCCCC(N)C(=O)O Amb17594057 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.47 CSCCCC(N)C(=O)O Amb35789017 [2,0,0,0,0,0|1,0,1]=4 274 B9R0.47 CSCCC[C@@H](N)C(=O)O Amb27233529 [2,0,0,0,0,0|1,0,1]=4 275 B9R0.47 CSCCC[C@H](N)C(=O)O Amb27858783 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.47 C\C=C\CCC(N)C(=O)O Amb27770583 [2,0,0,0,0,0|1,0,1]=4 277 B9R0.47 N#CCCCC(N)C(=O)O Amb25242567 [2,0,0,0,0,0|0,0,2]=4 278 B9R0.47 N#CCCC[C@@H](N)C(=O)O Amb28349132 [2,0,0,0,0,0|0,0,2]=4 279 B9R0.47 N#CCCC[C@H](N)C(=O)O Amb26043277 [2,0,0,0,0,0|0,0,2]=4 280 B9R0.47 N#CNCCC(N)C(=O)O Amb27180972 [2,0,0,0,0,0|0,0,2]=4 281 B9R0.47 NC(CCCCF)C(=O)O Amb28193271 [2,0,0,0,0,0|1,0,1]=4 282 B9R0.47 NC(CCCCO)C(=O)O Amb2699159 [2,0,0,0,0,0|1,0,1]=4 283 B9R0.47 NCCCCC(N)C(=O)O Amb22349470 [2,0,0,0,0,0|0,0,1]=3 284 B9R0.47 NCCCCC(N)C(=O)O Amb22489521 [2,0,0,0,0,0|0,0,1]=3 285 B9R0.47 NCCCCC(N)C(=O)O Amb3940540 [2,0,0,0,0,0|0,0,1]=3 286 B9R0.47 NCCCCC(N)C(=O)O Amb8516470 [2,0,0,0,0,0|0,0,1]=3 287 B9R0.47 NCCCCC(N)C(=O)O Amb8516682 [2,0,0,0,0,0|0,0,1]=3 288 B9R0.47 NCCCCC(N)C(N)=O Amb17593646 [2,0,0,0,0,0|1,0,1]=4 289 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb22750565 [2,0,0,0,0,0|0,0,1]=3 290 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb2720180 [2,0,0,0,0,0|0,0,1]=3 291 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb30621835 [2,0,0,0,0,0|0,0,1]=3 292 B9R0.47 NCCCC[C@@H](N)C(=O)O Amb3940874 [2,0,0,0,0,0|0,0,1]=3 293 B9R0.47 NCCCC[C@@H](N)C(N)=O Amb27404620 [2,0,0,0,0,0|1,0,1]=4 294 B9R0.47 NCCCC[C@H](N)C(=O)O Amb2720055 [2,0,0,0,0,0|0,0,1]=3 295 B9R0.47 NCCCC[C@H](N)C(=O)O Amb3940762 [2,0,0,0,0,0|0,0,1]=3 296 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8395455 [2,0,0,0,0,0|0,0,1]=3 297 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8513720 [2,0,0,0,0,0|0,0,1]=3 298 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628529 [2,0,0,0,0,0|0,0,1]=3 299 B9R0.47 NCCCC[C@H](N)C(=O)O Amb8628598 [2,0,0,0,0,0|0,0,1]=3 300 B9R0.47 NCCCC[C@H](N)C(N)=O Amb33757921 [2,0,0,0,0,0|1,0,1]=4 301 B9R0.47 NCCCOC(N)C(=O)O Amb27838076 [2,0,0,0,0,0|1,0,1]=4 302 B9R0.47 NCCCS[C@H](N)C(=O)O Amb27410557 [2,0,0,0,0,0|1,0,1]=4 303 B9R0.47 NCCOCC(N)C(=O)O Amb27224745 [2,0,0,0,0,0|1,0,1]=4 304 B9R0.47 NCCOC[C@H](N)C(=O)O Amb26844671 [2,0,0,0,0,0|1,0,1]=4 305 B9R0.47 NCCSC[C@@H](N)C(=O)O Amb27945627 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.47 NCCSC[C@H](N)C(=O)O Amb22362775 [2,0,0,0,0,0|1,0,1]=4 307 B9R0.47 NCCSC[C@H](N)C(=O)O Amb25887551 [2,0,0,0,0,0|1,0,1]=4 308 B9R0.47 NCSCCC(N)C(=O)O Amb27468506 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.47 NCSCC[C@H](N)C(=O)O Amb27425090 [2,0,0,0,0,0|1,0,1]=4 310 B9R0.47 NOCCCC(N)C(=O)O Amb24117962 [2,0,0,0,0,0|1,0,0]=3 311 B9R0.47 NOCCCC(N)C(=O)O Amb27222313 [2,0,0,0,0,0|1,0,0]=3 312 B9R0.47 NOCCC[C@H](N)C(=O)O Amb28397870 [2,0,0,0,0,0|1,0,0]=3 313 B9R0.47 N[C@@H](CCCC=O)C(=O)O Amb2695588 [2,0,0,0,0,0|1,0,0]=3 314 B9R0.47 N[C@@H](CCCCBr)C(=O)O Amb28208462 [2,0,0,0,0,0|1,0,1]=4 315 B9R0.47 N[C@@H](CCCCCl)C(=O)O Amb27267870 [2,0,0,0,0,0|1,0,1]=4 316 B9R0.47 N[C@@H](CCCCF)C(=O)O Amb27945388 [2,0,0,0,0,0|1,0,1]=4 317 B9R0.47 N[C@@H](CCCCO)C(=O)O Amb2695139 [2,0,0,0,0,0|1,0,1]=4 318 B9R0.47 N[C@@H](CCCCS)C(=O)O Amb25729289 [2,0,0,0,0,0|1,0,1]=4 319 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb29083430 [2,0,0,0,0,0|1,0,0]=3 320 B9R0.47 N[C@@H](CCCNO)C(=O)O Amb30666629 [2,0,0,0,0,0|1,0,0]=3 321 B9R0.47 N[C@H](CCCC=O)C(=O)O Amb27272621 [2,0,0,0,0,0|1,0,0]=3 322 B9R0.47 N[C@H](CCCCF)C(=O)O Amb26370180 [2,0,0,0,0,0|1,0,1]=4 323 B9R0.47 N[C@H](CCCCO)C(=O)O Amb26969244 [2,0,0,0,0,0|1,0,1]=4 324 B11R0.42 C=CCCCCCC(N)C(=O)O Amb21936740 [1,1,0,0,0,0|2,0,0]=4 325 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O Amb22745701 [1,1,0,0,0,0|2,0,0]=4 326 B11R0.42 C=CCCCCC[C@H](N)C(=O)O Amb33037010 [1,1,0,0,0,0|2,0,0]=4 327 B11R0.42 NC(CCCCNC=O)C(=O)O Amb22362874 [1,1,0,0,0,0|1,0,0]=3 328 B11R0.42 N\N=C\NCCC[C@@H](N)C(N)=O Amb34915138 [1,1,0,0,0,0|1,0,0]=3 329 B11R0.6 N=C(N)NC(=N)NCCC(=O)O Amb25798964 [1,1,0,0,0,0|1,0,1]=4 330 B11R0.6 N=C(N)NC(=O)NCCC(=O)O Amb27657575 [1,1,0,0,0,0|1,0,1]=4 331 B11R0.33 NC(=O)NC(=O)CC(N)C(=O)O Amb27646444 [0,1,0,0,1,0|1,0,1]=4 332 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,1,0,0,1,0|2,0,0]=4 333 B13R0.101 COC(=O)[C@@H](N)CCCCNC(C)=O Amb33874962 [0,1,0,0,0,1|2,0,0]=4 334 B13R0.204 C=CC(=O)NCCCC[C@@H](N)C(=O)O Amb33718751 [0,1,0,0,0,1|2,0,0]=4 335 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O Amb33841783 [0,1,0,0,0,1|2,0,0]=4 336 B13R0.204 N[C@@H](CCCCNC(=O)CO)C(=O)O Amb33483385 [0,1,0,0,0,1|2,0,0]=4 337 B13R0.204 N[C@@H](CCCCNC(=O)CO)C(=O)O Amb33483692 [0,1,0,0,0,1|2,0,0]=4 338 B13R0.1406 NC(=O)NCCNCC(F)(F)C(=O)O Amb33170235 [0,1,0,0,0,1|2,0,0]=4 339 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N Amb8390376 [0,2,0,0,0,0|0,0,0]=2 340 B13R0.1121 CNC(=NCCC[C@H](N)C(=O)O)NC Amb17613231 [0,2,0,0,0,0|0,0,2]=4 341 B11R1.35 NC(CC1CC=CC1)C(=O)O Amb25893245 [1,0,0,1,0,0|2,0,0]=4 342 B11R1.35 NC(CC1CCNC1)C(=O)O Amb22002696 [1,0,0,1,0,0|1,0,1]=4 343 B11R1.35 N[C@@H](CC1=NC=CC1)C(=O)O Amb27947963 [1,0,0,1,0,0|1,0,1]=4 344 B11R1.35 N[C@@H](CC1CC=CC1)C(=O)O Amb30032914 [1,0,0,1,0,0|2,0,0]=4 345 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O Amb22228974 [1,0,0,1,0,0|1,0,1]=4 346 B11R1.35 N[C@H](CC1CC=CC1)C(=O)O Amb30032915 [1,0,0,1,0,0|2,0,0]=4 347 B11R1.35 N[C@H](CC1CCNC1)C(=O)O Amb22228965 [1,0,0,1,0,0|1,0,1]=4 348 B11R1.36 NC(C(=O)O)C1C=CCCC1 Amb26874365 [1,0,0,1,0,0|2,0,0]=4 349 B11R1.36 NC(C(=O)O)C1CC=CCC1 Amb2696736 [1,0,0,1,0,0|2,0,0]=4 350 B11R1.36 NC(C(=O)O)C1CC=CCC1 Amb35751141 [1,0,0,1,0,0|2,0,0]=4 351 B11R1.36 NC(C(=O)O)C1CCCCN1 Amb23401448 [1,0,0,1,0,0|1,0,1]=4 352 B11R1.36 NC(C(=O)O)C1CCCCN1 Amb30647385 [1,0,0,1,0,0|1,0,1]=4 353 B11R1.36 NC(C(=O)O)C1CCNCC1 Amb18199899 [1,0,0,1,0,0|1,0,1]=4 354 B11R1.36 N[C@@H](C(=O)O)C1C=CCCC1 Amb28411371 [1,0,0,1,0,0|2,0,0]=4 355 B11R1.36 N[C@H](C(=O)O)C1C=CCCC1 Amb25339911 [1,0,0,1,0,0|2,0,0]=4 356 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 Amb8385707 [1,0,0,1,0,0|1,0,1]=4 357 B11R1.36 N[C@H](C(=O)O)[C@@H]1CCCCN1 Amb24519512 [1,0,0,1,0,0|1,0,1]=4 358 B11R1.36 N[C@H](C(=O)O)[C@H]1CCCCN1 Amb28436724 [1,0,0,1,0,0|1,0,1]=4 359 B11R1.124 C=CC[C@@H]1CC[C@H](C(=O)O)N1 Amb28249783 [1,0,0,1,0,0|2,0,0]=4 360 B11R1.421 CC1(C(=O)O)CCCN1C=O Amb27482494 [1,0,0,1,0,0|2,0,0]=4 361 B11R1.497 CC1=NC(C(=O)O)CCCN1 Amb25807925 [1,0,0,1,0,0|1,0,1]=4 362 B11R1.497 CC1=NCCC[C@H](C(=O)O)N1 Amb27231815 [1,0,0,1,0,0|1,0,1]=4 363 B11R1.497 CC1=N[C@H](C(=O)O)CCCN1 Amb25060168 [1,0,0,1,0,0|1,0,1]=4 364 B11R1.497 N=C1NCCC=C(C(=O)O)N1 Amb27592207 [1,0,0,1,0,0|0,0,2]=4 365 B11R1.497 O=C1CCCCC(C(=O)O)N1 Amb19515429 [1,0,0,1,0,0|2,0,0]=4 366 B11R1.497 O=C1NCCCC(C(=O)O)N1 Amb27657613 [1,0,0,1,0,0|1,0,0]=3 367 B11R1.497 O=C1NCCC[C@H](C(=O)O)N1 Amb27803711 [1,0,0,1,0,0|1,0,0]=3 368 B11R1.520 CC1(C(=O)O)CCCNC1=O Amb8010472 [1,0,0,1,0,0|2,0,0]=4 369 B11R1.520 C[C@]1(C(=O)O)CCCNC1=O Amb27232863 [1,0,0,1,0,0|2,0,0]=4 370 B11R1.520 NC1CCCCC1(N)C(=O)O Amb25348456 [1,0,0,1,0,0|1,0,1]=4 371 B11R1.520 N[C@@H]1CCCC[C@]1(N)C(=O)O Amb24675453 [1,0,0,1,0,0|1,0,1]=4 372 B11R1.520 O=C(O)C1(O)CCCNC1=O Amb27752284 [1,0,0,1,0,0|2,0,0]=4 373 B11R1.737 NC1(C(=O)O)CCCNCC1 Amb27847261 [1,0,0,1,0,0|1,0,1]=4 374 B11R1.154 O=C(O)CCCC1CC(=O)N1 Amb27988472 [1,0,0,1,0,0|2,0,0]=4 375 B11R1.157 N=C(N)NC1CCCC(O)C1 Amb27493738 [1,0,0,1,0,0|1,0,1]=4 376 B11R1.157 N=C(N)NC1CCCC(O)C1 Amb30026914 [1,0,0,1,0,0|1,0,1]=4 377 B11R1.157 N=C1NCCC(CC(=O)O)N1 Amb27863459 [1,0,0,1,0,0|0,0,0]=2 378 B11R1.157 O=C(O)CC1CCCC(=O)N1 Amb18200018 [1,0,0,1,0,0|2,0,0]=4 379 B11R1.157 O=C(O)CC1CCNC(=O)C1 Amb18200020 [1,0,0,1,0,0|2,0,0]=4 380 B11R1.157 O=C(O)C[C@@H]1CCCC(=O)N1 Amb27397390 [1,0,0,1,0,0|2,0,0]=4 381 B11R1.157 O=C(O)C[C@H]1CCCC(=O)N1 Amb27983727 [1,0,0,1,0,0|2,0,0]=4 382 B11R1.178 C=C(C)N1CCCC1C(=O)O Amb27176559 [1,0,0,1,0,0|2,0,0]=4 383 B11R1.178 CC(=O)N1CCCC1C(=O)O Amb9745654 [1,0,0,1,0,0|2,0,0]=4 384 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [1,0,0,1,0,0|2,0,0]=4 385 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [1,0,0,1,0,0|2,0,0]=4 386 B11R1.178 N=C(N)C1CCCC1C(N)=O Amb28436491 [1,0,0,1,0,0|2,0,0]=4 387 B11R1.178 N=C(N)N1CCCC1C(=O)O Amb22330609 [1,0,0,1,0,0|0,0,0]=2 388 B11R1.178 N=C(N)N1CCCC1C(N)=O Amb18796984 [1,0,0,1,0,0|1,0,0]=3 389 B11R1.178 N=C(N)N1CCC[C@@H]1C(=O)O Amb28342282 [1,0,0,1,0,0|0,0,0]=2 390 B11R1.178 N=C(N)N1CCC[C@H]1C(=O)O Amb22586483 [1,0,0,1,0,0|0,0,0]=2 391 B11R1.178 NC(=O)C1CCCC1C(=O)O Amb25714211 [1,0,0,1,0,0|2,0,0]=4 392 B11R1.178 NC(=O)C1CCCN1C(N)=O Amb6751002 [1,0,0,1,0,0|2,0,0]=4 393 B11R1.178 NC(=O)N1CCCC1C(=O)Cl Amb27859012 [1,0,0,1,0,0|2,0,0]=4 394 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb9745667 [1,0,0,1,0,0|1,0,0]=3 395 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O Amb18787750 [1,0,0,1,0,0|1,0,0]=3 396 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)Cl Amb25921470 [1,0,0,1,0,0|2,0,0]=4 397 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Amb6893269 [1,0,0,1,0,0|1,0,0]=3 398 B11R1.178 NC(=O)N1CSCC1C(=O)O Amb6263476 [1,0,0,1,0,0|2,0,0]=4 399 B11R1.178 NC(=O)[C@H]1CCCN1C(N)=O Amb27649102 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28142020 [1,0,0,1,0,0|2,0,0]=4 401 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [1,0,0,1,0,0|2,0,0]=4 402 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [1,0,0,1,0,0|2,0,0]=4 403 B11R1.708 NC(=O)NN1CCC1C(=O)O Amb28396601 [1,0,0,1,0,0|2,0,0]=4 404 B11R1.711 CC(=O)NCC1CC1C(=O)O Amb27872119 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.711 CC(=O)NC[C@@H]1C[C@@H]1C(=O)O Amb28244758 [1,0,0,1,0,0|2,0,0]=4 406 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,0,0,1,1,0|2,0,0]=4 407 B11R1.175 NC(=O)C1CCC(C(=O)O)C1 Amb18126050 [0,0,0,1,1,0|2,0,0]=4 408 B11R1.175 NC(=O)C1CCC(C(=O)O)N1 Amb27397702 [0,0,0,1,1,0|1,0,0]=3 409 B11R1.175 NC(=O)C1CCC(C(=O)O)O1 Amb25111716 [0,0,0,1,1,0|2,0,0]=4 410 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb23560427 [0,0,0,1,1,0|1,0,0]=3 411 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560425 [0,0,0,1,1,0|2,0,0]=4 412 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C(N)=O)N1 Amb27863644 [0,0,0,1,1,0|2,0,0]=4 413 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 Amb25983681 [0,0,0,1,1,0|2,0,0]=4 414 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)N1 Amb23560440 [0,0,0,1,1,0|1,0,0]=3 415 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)O1 Amb24384443 [0,0,0,1,1,0|2,0,0]=4 416 B11R1.175 NC(=O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560409 [0,0,0,1,1,0|2,0,0]=4 417 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,0,0,1,1,0|2,0,0]=4 418 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,0,0,1,1,0|2,0,0]=4 419 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 Amb24741902 [0,0,0,1,1,0|2,0,0]=4 420 B11R1.314 NC(C(=O)O)C1CCC(=O)C1 Amb27828292 [0,0,0,1,1,0|2,0,0]=4 421 B11R1.314 NC(C(=O)O)C1CCC(=O)O1 Amb27955898 [0,0,0,1,1,0|2,0,0]=4 422 B11R1.314 N[C@@H](C(=O)O)C1CCC(=O)C1 Amb25148224 [0,0,0,1,1,0|2,0,0]=4 423 B11R1.314 N[C@H](C(=O)O)C1CCC(=O)C1 Amb26955070 [0,0,0,1,1,0|2,0,0]=4 424 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,0,0,1,1,0|2,0,0]=4 425 B11R1.667 NC1(C(=O)O)CCCC(=O)C1 Amb23560233 [0,0,0,1,1,0|2,0,0]=4 426 B11R1.704 CC(=O)[C@@H]1C[C@H]1C(N)C(=O)O Amb27467898 [0,0,0,1,1,0|2,0,0]=4 427 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,0,0,1,1,0|2,0,0]=4 428 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,0,0,1,1,0|2,0,0]=4 429 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,0,0,1,1,0|2,0,0]=4 430 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,0,0,1,1,0|2,0,0]=4 431 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,0,0,1,1,0|2,0,0]=4 432 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,0,0,1,1,0|2,0,0]=4 433 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,0,0,1,1,0|2,0,0]=4 434 B11R1.743 NC(=O)NC1CC(C(=O)O)C1 Amb35659136 [0,0,0,1,1,0|2,0,0]=4 435 B11R1.743 NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 Amb29887629 [0,0,0,1,1,0|2,0,0]=4 436 B11R1.743 NC(=O)N[C@H]1C[C@H](C(=O)O)C1 Amb35645356 [0,0,0,1,1,0|2,0,0]=4 437 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,0,0,1,1,0|2,0,0]=4 438 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,0,0,1,1,0|2,0,0]=4 439 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,0,0,1,1,0|2,0,0]=4 440 B13R1.587 NC(=O)CC1NC(C(=O)O)CCS1 Amb27794303 [0,0,0,1,0,1|2,0,0]=4 441 B13R1.587 NC(=O)CN1CCCC(C(=O)O)C1 Amb22586957 [0,0,0,1,0,1|2,0,0]=4 442 B13R1.587 NC(=O)CN1CCCC(C(=O)O)C1 Amb7088968 [0,0,0,1,0,1|2,0,0]=4 443 B13R1.587 NC(=S)CN1CCCC(C(=O)O)C1 Amb17120463 [0,0,0,1,0,1|2,0,0]=4 444 B13R1.1060 NC(=O)C1CCCCC(C(=O)O)N1 Amb27268405 [0,0,0,1,0,1|2,0,0]=4 445 B13R1.1060 NC(=O)[C@@H]1CCCC[C@H](C(=O)O)N1 Amb27662164 [0,0,0,1,0,1|2,0,0]=4 446 B13R1.1081 NC(=O)C1CCN1CC(N)C(=O)O Amb33251360 [0,0,0,1,0,1|2,0,0]=4 447 B13R1.1985 N=C(N)NCC1CNC(C(=O)O)C1 Amb27863844 [0,0,0,1,0,1|1,0,0]=3 448 B13R1.1985 N=C(N)NC[C@H]1CN[C@H](C(=O)O)C1 Amb27253552 [0,0,0,1,0,1|1,0,0]=3 449 B13R1.1985 NC(=O)NC[C@H]1CC[C@@H](C(=O)O)O1 Amb32864197 [0,0,0,1,0,1|2,0,0]=4 450 B13R1.2025 CC1(C(=O)O)CCCC1NC(N)=O Amb28247863 [0,0,0,1,0,1|2,0,0]=4 451 B13R1.3443 N=C(N)NCC[C@@H]1C[C@H](N)C(=O)O1 Amb27962887 [0,0,0,1,0,1|0,0,0]=2 452 B13R1.543 CNC(=O)N1CCCC(C(=O)O)C1 Amb8828576 [0,1,0,1,0,0|2,0,0]=4 453 B13R1.543 COC(=O)C1CCCN(C(N)=O)C1 Amb28184384 [0,1,0,1,0,0|2,0,0]=4 454 B13R1.543 COC(=O)[C@@H]1CCCN(C(N)=O)C1 Amb27449014 [0,1,0,1,0,0|2,0,0]=4 455 B13R1.543 NC(=O)C1CCCN(\C(N)=N\O)C1 Amb19075730 [0,1,0,1,0,0|2,0,0]=4 456 B13R1.543 NC(=O)N1CCCC(C(=O)NO)C1 Amb27756880 [0,1,0,1,0,0|2,0,0]=4 457 B13R1.3471 NC(=O)OCC1OC(=O)C(N)C1O Amb27195866 [0,1,0,1,0,0|2,0,0]=4 458 B13R1.126 CC1CC(C(=O)O)CN(C(N)=O)C1 Amb27469961 [0,1,0,1,0,0|2,0,0]=4 459 B13R1.126 NC(=O)N1CC(O)CC(C(=O)O)C1 Amb35687446 [0,1,0,1,0,0|2,0,0]=4 460 B13R1.8689 N=C(N)NC[C@H]1C[C@@](N)(C(=O)O)C1 Amb28325665 [0,1,0,1,0,0|0,0,0]=2 461 B13R1.1706 CNC(=N)NC1CN[C@H](C(=O)O)C1 Amb27592174 [0,1,0,1,0,0|2,0,0]=4 462 B13R1.1706 CNC(=N)N[C@@H]1CNC(C(=O)O)C1 Amb27162080 [0,1,0,1,0,0|2,0,0]=4 463 B13R1.1856 CC1(C(=O)O)CCCN1C(=O)CN Amb28122861 [0,1,0,1,0,0|2,0,0]=4 464 B13R1.3768 CN1C(=N)NCCC1C(N)C(=O)O Amb27984703 [0,1,0,1,0,0|0,0,0]=2 465 B13R1.585 N=C(N)NC1CCC(C(N)=O)CC1 Amb18326337 [0,1,0,1,0,0|2,0,0]=4 466 B13R1.585 N=C(N)N[C@@H]1CC[C@@H](C(=O)O)NC1 Amb27781578 [0,1,0,1,0,0|0,0,0]=2 467 B13R1.585 NC(=O)NC1CCC(C(=O)O)CC1 Amb10610082 [0,1,0,1,0,0|2,0,0]=4 468 B13R1.585 NC(=S)N[C@H]1CC[C@@H](C(=O)O)CC1 Amb28241370 [0,1,0,1,0,0|2,0,0]=4 469 B13R1.3124 NC(=O)N[C@H]1CC[C@@]1(CO)C(=O)O Amb27419995 [0,1,0,1,0,0|2,0,0]=4 470 B13R1.8780 NC(=O)[C@@H]1CCC[C@](N)(C(=O)O)C1 Amb28052104 [0,1,0,1,0,0|2,0,0]=4 471 B13R1.13 CC1CCN(C(N)=O)CC1C(=O)O Amb30008162 [0,1,0,1,0,0|2,0,0]=4 472 B13R1.3423 N=C1NC(O)C[C@H]([C@H](N)C(=O)O)N1 Amb28385970 [0,1,0,1,0,0|0,0,0]=2 473 B13R1.8677 N=C(N)NC1CCC(O)(C(=O)O)C1 Amb27842127 [0,1,0,1,0,0|1,0,0]=3 474 B13R1.8677 N=C(N)N[C@H]1CC[C@@](O)(C(=O)O)C1 Amb27643597 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.400 CC1=NC2CC(C(=O)O)CC2N1 Amb18826584 [0,0,0,2,0,0|2,0,0]=4 476 B13R2.3291 N=C1NC2CC(N1)C(C(=O)O)N2 Amb25088338 [0,0,0,2,0,0|0,0,0]=2 477 B13R2.3291 N=C1N[C@H]2C[C@@H](N1)[C@@H](C(=O)O)N2 Amb24552939 [0,0,0,2,0,0|0,0,0]=2 478 B13R2.13672 NC(=O)N1CC2CC2(C(=O)O)C1 Amb30034190 [0,0,0,2,0,0|2,0,0]=4 479 B13R2.13987 NC(=O)N1CC2CC1(C(=O)O)C2 Amb30009058 [0,0,0,2,0,0|2,0,0]=4 480 B9R0.1 N=C(N)NCCC(O)C=O Amb28342379 [1,0,0,0,1,0|1,0,0]=3 481 B9R0.7 C=C(C)CCC(N)C(=O)O Amb28121242 [0,0,0,0,2,0|2,0,0]=4 482 B9R0.7 C=C(C)CC[C@@H](N)C(=O)O Amb25775219 [0,0,0,0,2,0|2,0,0]=4 483 B9R0.7 C=C(C)CC[C@H](N)C(=O)O Amb25948355 [0,0,0,0,2,0|2,0,0]=4 484 B9R0.7 C=C(Cl)CCC(N)C(=O)O Amb27424777 [0,0,0,0,2,0|2,0,0]=4 485 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [0,0,0,0,2,0|2,0,0]=4 486 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [0,0,0,0,2,0|2,0,0]=4 487 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [0,0,0,0,2,0|2,0,0]=4 488 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [0,0,0,0,2,0|2,0,0]=4 489 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [0,0,0,0,2,0|2,0,0]=4 490 B9R0.7 CC(CNC(=N)N)C(=O)O Amb28050103 [0,0,0,0,2,0|1,0,0]=3 491 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [0,0,0,0,2,0|2,0,0]=4 492 B9R0.7 CC(CSC(=N)N)C(=O)O Amb27392409 [0,0,0,0,2,0|2,0,0]=4 493 B9R0.7 CS(=N)CCC(N)C(=O)O Amb25243030 [0,0,0,0,2,0|2,0,0]=4 494 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [0,0,0,0,2,0|2,0,0]=4 495 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [0,0,0,0,2,0|2,0,0]=4 496 B9R0.7 N=C(N)CCC(N)C(=O)O Amb28185146 [0,0,0,0,2,0|0,0,0]=2 497 B9R0.7 N=C(N)NCC(N)C(=O)O Amb22169574 [0,0,0,0,2,0|0,0,0]=2 498 B9R0.7 N=C(N)NCC(N)C(=O)O Amb9871390 [0,0,0,0,2,0|0,0,0]=2 499 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [0,0,0,0,2,0|1,0,0]=3 500 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb28058768 [0,0,0,0,2,0|0,0,0]=2 501 B9R0.7 N=C(N)NC[C@@H](N)C(=O)O Amb31292962 [0,0,0,0,2,0|0,0,0]=2 502 B9R0.7 N=C(N)NC[C@H](N)C(=O)O Amb27230623 [0,0,0,0,2,0|0,0,0]=2 503 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [0,0,0,0,2,0|2,0,0]=4 504 B9R0.7 NC(=O)CCC(N)C(=O)Cl Amb27793490 [0,0,0,0,2,0|2,0,0]=4 505 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [0,0,0,0,2,0|1,0,0]=3 506 B9R0.7 NC(=O)CCC(N)C(N)=O Amb27175153 [0,0,0,0,2,0|2,0,0]=4 507 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [0,0,0,0,2,0|2,0,0]=4 508 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [0,0,0,0,2,0|1,0,0]=3 509 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,2,0|2,0,0]=4 510 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb25996678 [0,0,0,0,2,0|2,0,0]=4 511 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [0,0,0,0,2,0|1,0,0]=3 512 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,2,0|2,0,0]=4 513 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb33774694 [0,0,0,0,2,0|2,0,0]=4 514 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [0,0,0,0,2,0|2,0,0]=4 515 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [0,0,0,0,2,0|1,0,0]=3 516 B9R0.7 NC(=O)NCC(N)C(N)=O Amb27646620 [0,0,0,0,2,0|2,0,0]=4 517 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [0,0,0,0,2,0|2,0,0]=4 518 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [0,0,0,0,2,0|1,0,0]=3 519 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [0,0,0,0,2,0|1,0,0]=3 520 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [0,0,0,0,2,0|2,0,0]=4 521 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [0,0,0,0,2,0|2,0,0]=4 522 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [0,0,0,0,2,0|2,0,0]=4 523 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [0,0,0,0,2,0|2,0,0]=4 524 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [0,0,0,0,2,0|2,0,0]=4 525 B9R0.7 NC(=S)CCC(N)C(=O)O Amb27448533 [0,0,0,0,2,0|1,0,0]=3 526 B9R0.7 NC(=S)CC[C@H](N)C(=O)O Amb27640783 [0,0,0,0,2,0|1,0,0]=3 527 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [0,0,0,0,2,0|2,0,0]=4 528 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [0,0,0,0,2,0|2,0,0]=4 529 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [0,0,0,0,2,0|2,0,0]=4 530 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [0,0,0,0,2,0|2,0,0]=4 531 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [0,0,0,0,2,0|2,0,0]=4 532 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [0,0,0,0,2,0|2,0,0]=4 533 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [0,0,0,0,2,0|2,0,0]=4 534 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [0,0,0,0,2,0|2,0,0]=4 535 B11R0.30 CC(=O)NCCCCCC(=O)O Amb1208026 [1,0,0,0,0,1|2,0,0]=4 536 B11R0.30 CC(=O)NCCCCCC(=O)O Amb33513104 [1,0,0,0,0,1|2,0,0]=4 537 B11R0.30 N=C(N)NCCCCCC(=O)O Amb20621391 [1,0,0,0,0,1|0,0,0]=2 538 B11R0.30 N=C(N)NCCCCCC(=O)O Amb31291051 [1,0,0,0,0,1|0,0,0]=2 539 B11R0.30 N=C(N)NCCCCNC(=N)N Amb4037359 [1,0,0,0,0,1|2,0,0]=4 540 B11R0.30 NC(=O)NCCCCCC(=O)O Amb440324 [1,0,0,0,0,1|1,0,0]=3