0 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,0,0,0,0,0|2,0,1]=3 5 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,0,0,0,0,0|2,0,1]=3 9 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.4 C#CCNCC(=O)O HY-142035 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 O=C(O)COCCS HY-140730 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,0,0|2,0,1]=4 27 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,0,0|2,0,1]=4 28 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,1,0,0,0,0|1,0,1]=3 29 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,0,0,0,0|2,0,0]=3 32 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,0,0,0,0|2,0,1]=4 40 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,0,0,0,0|2,0,1]=4 42 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 43 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,0,0,0,0|2,0,1]=4 46 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,0,0,0,0|2,0,1]=4 51 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-101086 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282A [0,1,0,0,0,0|3,0,0]=4 56 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282R [0,1,0,0,0,0|3,0,0]=4 57 B9R0.56 CC(=O)SCC[N+](C)(C)C HY-D0904 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.56 CC(N)CCCC(C)(C)O HY-B1231 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.56 CC(N)CCCC(C)(C)O HY-W685943 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,1,0,0,0,0|1,0,0]=2 61 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] HY-B1836 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] HY-B1836A [0,1,0,0,0,0|2,0,1]=4 63 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,0|2,0,0]=3 69 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,0,0|2,0,1]=4 77 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,0,0|2,0,1]=4 78 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 79 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,0|3,0,0]=4 82 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,1,0|1,0,1]=3 83 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,1,0|2,0,1]=4 84 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,1,0|0,0,0]=1 85 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,1,0|0,0,0]=1 86 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,1,0|2,0,1]=4 87 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,1,0|2,0,1]=4 88 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,0,0,0,1,0|3,0,0]=4 89 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,1,0|2,0,1]=4 90 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,0,0,0,0,1|1,0,1]=3 91 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,1|0,0,0]=1 92 B9R0.55 CN(C)CCCSC(=N)N HY-B1478 [0,0,0,0,0,1|3,0,0]=4 93 B9R0.55 N=C(N)NCCCC(=O)O HY-113286 [0,0,0,0,0,1|2,0,1]=4 94 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,0,0,0,0,1|2,0,1]=4 95 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,0,0,0,0,1|2,0,1]=4 96 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,0,0,0,0,1|2,0,1]=4 97 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,0,0,0,0,1|2,0,1]=4 98 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|0,0,2]=4 99 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|0,0,0]=2 100 B6R0.4 CCCCB(O)O HY-W000932 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.4 CN(C)CCCCl HY-W018789 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,0]=3 110 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,1]=3 112 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|1,0,1]=4 114 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|0,0,0]=2 115 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [1,1,0,0,0,0|0,0,0]=2 118 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.7 C#CCOCCC(=O)O HY-130504 [1,1,0,0,0,0|0,0,2]=4 120 B8R0.7 CC(=O)NCCCCN HY-113100 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,1,0,0,0,0|1,0,0]=3 124 B8R0.7 NCCOCCC(=O)O HY-140002 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.7 O=C(O)CCOCCO HY-116655 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [1,1,0,0,0,0|0,0,2]=4 128 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,1,0,0,0,0|0,0,0]=2 129 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,1,0,0,0,0|0,0,0]=2 130 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,1,0,0,0,0|0,0,0]=2 132 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.8 CSCCC(O)C(=O)O HY-116688 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [1,1,0,0,0,0|1,0,0]=3 138 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [1,1,0,0,0,0|1,0,0]=3 141 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [1,1,0,0,0,0|1,0,0]=3 143 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [1,1,0,0,0,0|1,0,0]=3 144 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [1,1,0,0,0,0|1,0,0]=3 145 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [1,1,0,0,0,0|1,0,0]=3 149 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [1,1,0,0,0,0|1,0,0]=3 150 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [1,1,0,0,0,0|1,0,0]=3 151 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [1,1,0,0,0,0|0,0,2]=4 152 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [1,1,0,0,0,0|1,0,1]=4 156 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,1,0|0,0,1]=3 157 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,1,0|0,0,1]=3 158 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,1,0|0,0,0]=2 159 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,1,0|0,0,0]=2 160 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,1,0|0,0,0]=2 161 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,1,0|0,0,0]=2 162 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,1,0|0,0,0]=2 163 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,1,0|0,0,0]=2 164 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,1,0|1,0,0]=3 165 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,1,0|0,0,0]=2 166 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,1,0|0,0,0]=2 167 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,1,0|0,0,0]=2 168 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,1,0|0,0,0]=2 169 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,1,0,0,1,0|2,0,0]=4 170 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,1,0|1,0,0]=3 171 B10R0.96 CC(=O)CC(=O)CCC(=O)O HY-W010184 [0,1,0,0,0,1|1,0,1]=4 172 B10R0.96 CC(C)CC(=O)NCC(=O)O HY-W015464 [0,1,0,0,0,1|0,0,1]=3 173 B10R0.96 CN(C)NC(=O)CCC(=O)O HY-13643 [0,1,0,0,0,1|1,0,1]=4 174 B10R0.96 CN(C)NC(=O)CCC(=O)O HY-13643R [0,1,0,0,0,1|1,0,1]=4 175 B10R0.3 CC(C)CCCC(C)CCO HY-W010176 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.57 CCC(C)C(=O)NCC(=O)O HY-W141919 [0,2,0,0,0,0|1,0,1]=4 177 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O HY-W015425 [0,2,0,0,0,0|1,0,1]=4 178 B10R0.59 COC(=O)CCCC(=O)OC HY-W089014 [0,2,0,0,0,0|1,0,1]=4 179 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,2,0,0,0,0|1,0,1]=4 180 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,2,0,0,0,0|1,0,0]=3 182 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,2,0,0,0,0|1,0,0]=3 183 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O HY-23053 [0,2,0,0,0,0|1,0,0]=3 184 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O HY-W010156 [0,2,0,0,0,0|1,0,0]=3 185 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HY-W019870 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O HY-W338140 [0,2,0,0,0,0|2,0,0]=4 187 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O HY-W097491 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O HY-B1453 [0,2,0,0,0,0|1,0,0]=3 189 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)[O-] HY-W012550 [0,2,0,0,0,0|1,0,1]=4 190 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O HY-B2246 [0,2,0,0,0,0|1,0,0]=3 191 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] HY-B0399 [0,2,0,0,0,0|1,0,1]=4 192 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] HY-B0399R [0,2,0,0,0,0|1,0,1]=4 193 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] HY-W105518 [0,2,0,0,0,0|1,0,1]=4 194 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|0,0,0]=2 195 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|0,0,2]=4 201 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.7 O=C(O)C1CSSC1 HY-50730 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,0]=3 207 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.7 OB(O)C1CCCC1 HY-W000955 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.22 O=C1CCCCCN1 HY-W010542 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|0,0,0]=2 214 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|0,0,0]=2 215 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,1,0,0|2,0,0]=4 216 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 HY-W038877 [0,0,0,1,0,1|1,0,0]=3 217 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,0,0,1,0,1|1,0,1]=4 218 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,0,0,1,0,1|1,0,1]=4 219 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,0,0,1,0,1|1,0,1]=4 220 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738 [0,0,0,1,0,1|1,0,0]=3 221 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] HY-N0298 [0,0,0,1,0,1|1,0,1]=4 222 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,1,0,1,0,0|1,0,0]=3 223 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,1,0,1,0,0|1,0,0]=3 224 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O HY-W098556 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.329 CC1(C)CC(=O)CC(=O)C1 HY-W015740 [0,1,0,1,0,0|1,0,1]=4 228 B10R1.329 CC1(C)OC(=O)CC(=O)O1 HY-Y0232 [0,1,0,1,0,0|1,0,1]=4 229 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,2,0|1,0,1]=4 230 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,2,0|0,0,0]=2 231 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,2,0|1,0,0]=3 232 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,2,0|0,0,0]=2 233 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,2,0|1,0,0]=3 234 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,2,0|1,0,0]=3 235 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,2,0|1,0,0]=3 236 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,2,0|1,0,0]=3 237 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,2,0|1,0,0]=3 238 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,2,0|1,0,0]=3 239 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,2,0|1,0,0]=3 240 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,2,0|1,0,0]=3