0 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,0,0,0,0,0|1,0,0]=1 5 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,0,0,0,0,0|2,0,0]=2 11 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,0,0,0,0,0|2,0,0]=2 14 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,0,0,0,0,0|2,0,0]=2 16 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,0,0,0,0,0|2,0,0]=2 17 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,0,0,0,0,0|2,0,0]=2 18 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,0,0,0,0,0|2,0,0]=2 23 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,0,0,0,0,0|2,0,0]=2 24 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [0,0,0,0,0,0|4,0,0]=4 26 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.4 C#CCNCC(=O)O HY-142035 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 O=C(O)COCCS HY-140730 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|0,0,0]=1 45 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|0,0,2]=3 49 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,0,0,0,0|2,0,0]=3 59 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,0,0,0,0|2,0,0]=3 61 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,0,0|2,0,1]=4 66 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,0,0|2,0,1]=4 67 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,0,0,0,0|2,0,0]=3 69 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,0,0,0,0|2,0,1]=4 77 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,0,0,0,0|2,0,1]=4 78 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,0,0,0,0|2,0,1]=4 84 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,0,0,0,0|2,0,1]=4 89 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,1,0,0,0,0|2,0,1]=4 93 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.47 C#CCSC[C@H](N)C(=O)O HY-W001538 [0,1,0,0,0,0|1,0,2]=4 95 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,1,0,0,0,0|1,0,2]=4 97 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,1,0,0,0,0|2,0,0]=3 98 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,0,0,0,0|1,0,0]=2 102 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,0,0,0,0|1,0,0]=2 103 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,0,0,0,0|1,0,0]=2 107 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O HY-140346A [0,1,0,0,0,0|3,0,0]=4 108 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,0,0,1,0,0|1,0,2]=4 110 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,0,0,1,0,0|1,0,2]=4 111 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,0,1,0,0|0,0,0]=1 113 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,0,1,0,0|1,0,0]=2 114 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,0,1,0,0|1,0,0]=2 115 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,0,0,1,0,0|1,0,0]=2 116 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,0,1,0,0|1,0,0]=2 119 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|1,0,0]=2 121 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,0|2,0,0]=3 124 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,0,0|2,0,1]=4 132 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,0,0|2,0,1]=4 133 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|1,0,0]=2 136 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [0,0,0,1,0,0|2,0,0]=3 138 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,0,0,0,0,1|1,0,0]=2 139 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|0,0,2]=4 140 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.4 CCCCB(O)O HY-W000932 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,2]=4 146 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 148 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,0]=3 150 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,1]=3 152 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,2]=4 153 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.3 CC(CBr)C(=O)O HY-W015332 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|1,0,0]=3 157 B6R0.3 CC(CO)C(=O)O HY-113126 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|1,0,1]=4 160 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|1,0,0]=3 162 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [2,0,0,0,0,0|0,0,2]=4 168 B6R0.3 NC(CO)C(=O)O HY-Y0507 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.3 NC(CS)C(=O)O HY-W013651 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.3 NC(CS)C(=O)O HY-W016716 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.3 NCC(N)C(=O)O HY-W013674 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [2,0,0,0,0,0|2,0,0]=4 175 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [2,0,0,0,0,0|2,0,0]=4 178 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [2,0,0,0,0,0|2,0,0]=4 181 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [2,0,0,0,0,0|2,0,0]=4 183 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [2,0,0,0,0,0|2,0,0]=4 184 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.3 O=C(O)C(O)CO HY-W018035 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [2,0,0,0,0,0|2,0,0]=4 193 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|0,0,0]=2 195 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [1,1,0,0,0,0|1,0,1]=4 196 B8R0.7 C#CCOCCC(=O)O HY-130504 [1,1,0,0,0,0|0,0,2]=4 197 B8R0.7 CC(=O)NCCCCN HY-113100 [1,1,0,0,0,0|2,0,0]=4 198 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,1,0,0,0,0|1,0,0]=3 201 B8R0.7 NCCOCCC(=O)O HY-140002 [1,1,0,0,0,0|1,0,0]=3 202 B8R0.7 O=C(O)CCOCCO HY-116655 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,1,0,0,0,0|0,0,1]=3 205 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,1,0,0,0,0|1,0,1]=4 206 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [1,1,0,0,0,0|1,0,1]=4 207 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [1,1,0,0,0,0|1,0,1]=4 208 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [1,1,0,0,0,0|1,0,1]=4 209 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [1,1,0,0,0,0|1,0,1]=4 210 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [1,1,0,0,0,0|1,0,0]=3 212 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [1,1,0,0,0,0|1,0,0]=3 213 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [1,1,0,0,0,0|2,0,0]=4 217 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [1,1,0,0,0,0|1,0,1]=4 218 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [1,1,0,0,0,0|1,0,1]=4 219 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [1,1,0,0,0,0|1,0,1]=4 221 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [1,1,0,0,0,0|1,0,0]=3 222 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [1,1,0,0,0,0|1,0,0]=3 223 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [1,1,0,0,0,0|1,0,0]=3 224 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [1,1,0,0,0,0|1,0,0]=3 225 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [1,1,0,0,0,0|1,0,0]=3 227 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [1,1,0,0,0,0|2,0,0]=4 228 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [1,1,0,0,0,0|1,0,0]=3 229 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [1,1,0,0,0,0|1,0,0]=3 230 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [1,1,0,0,0,0|1,0,0]=3 231 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [1,1,0,0,0,0|1,0,0]=3 232 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [1,1,0,0,0,0|1,0,1]=4 233 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [1,1,0,0,0,0|2,0,0]=4 234 B10R0.6 CCCCCC(O)CC(=O)O HY-113058 [0,1,0,0,0,1|1,0,0]=3 235 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,1,0,0,0,1|1,0,1]=4 236 B10R0.96 CC(CCC(=O)O)CC(=O)O HY-113277 [0,1,0,0,0,1|1,0,1]=4 237 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,2,0,0,0,0|1,0,1]=4 238 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,2,0,0,0,0|1,0,1]=4 239 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,2,0,0,0,0|1,0,0]=3 240 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,2,0,0,0,0|1,0,0]=3 241 B10R0.84 CNC(CCC(=O)O)C(=O)O HY-W015424 [0,2,0,0,0,0|1,0,1]=4 242 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O HY-23053 [0,2,0,0,0,0|2,0,0]=4 243 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O HY-W010156 [0,2,0,0,0,0|2,0,0]=4 244 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HY-W019870 [0,2,0,0,0,0|2,0,0]=4 245 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O HY-W338140 [0,2,0,0,0,0|2,0,0]=4 246 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O HY-W097491 [0,2,0,0,0,0|2,0,0]=4 247 B10R0.93 CC(N)C(=O)NC(C)C(=O)O HY-W015449 [0,2,0,0,0,0|1,0,1]=4 248 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O HY-W015450 [0,2,0,0,0,0|1,0,1]=4 249 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O HY-W015450R [0,2,0,0,0,0|1,0,1]=4 250 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O HY-W010162 [0,2,0,0,0,0|1,0,1]=4 251 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O HY-W250715 [0,2,0,0,0,0|1,0,1]=4 252 B10R0.19 CCOC(=O)[C@@H](N)CCSC HY-W052212 [0,2,0,0,0,0|2,0,0]=4 253 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308 [0,2,0,0,0,0|2,0,0]=4 254 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308A [0,2,0,0,0,0|2,0,0]=4 255 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,2,0,0,0,0|1,0,0]=3 256 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437 [0,2,0,0,0,0|1,0,0]=3 257 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437B [0,2,0,0,0,0|1,0,0]=3 258 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437D [0,2,0,0,0,0|1,0,0]=3 259 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437E [0,2,0,0,0,0|1,0,0]=3 260 B10R0.88 CSCC[C@H](NC=O)C(=O)O HY-W016647 [0,2,0,0,0,0|1,0,1]=4 261 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,2,0,0,0,0|1,0,0]=3 262 B10R0.75 CCCCCCC(O)C(=O)O HY-W015444 [0,2,0,0,0,0|1,0,0]=3 263 B10R0.75 N[C@@H](CSCCCO)C(=O)O HY-B0393 [0,2,0,0,0,0|1,0,0]=3 264 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,2,0,0,0,0|1,0,1]=4 265 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,2,0,0,0,0|1,0,1]=4 266 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,2,0,0,0,0|1,0,1]=4 267 B8R1.2 OCC1CCCCO1 HY-115051 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.2 OCC1CCOCC1 HY-79631 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|0,0,0]=2 270 B8R1.5 NC1CCCNC1=O HY-21088 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,0,0,1,0,0|2,0,0]=4 272 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|0,0,2]=4 278 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.7 O=C(O)C1CSSC1 HY-50730 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,0]=3 284 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.7 OB(O)C1CCCC1 HY-W000955 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [1,0,0,1,0,0|1,0,0]=3 291 B10R1.18 O=C(O)CC1CCCCC1 HY-W018653 [0,0,0,1,0,1|0,0,0]=2 292 B10R1.61 O=C(O)C1CCCCN1O HY-N7378 [0,0,0,1,0,1|2,0,0]=4 293 B10R1.28 O=S(=O)(O)C1CCNCC1 HY-139116 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O HY-W098556 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,1,0,1,0,0|0,0,0]=2 297 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,1,0,1,0,0|0,0,0]=2 298 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,1,0,0|1,0,1]=4 299 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.15 CCC(=O)C1CCCCC1 HY-W026029 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.15 COC(=O)C1CCCCC1 HY-W007704 [0,1,0,1,0,0|0,0,0]=2 302 B10R1.15 COC(=O)C1CNCCN1 HY-W037893 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,1,0,1,0,0|1,0,1]=4 305 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,1,0,1,0,0|0,0,2]=4 306 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,1,0,1,0,0|1,0,1]=4 308 B10R0.78 CCCCC(C)CCC(=O)O HY-W010178 [0,0,0,0,0,2|0,0,0]=2