0 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,0,0,0|0,0,2]=3 6 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.7 O=C(O)C1CSSC1 HY-50730 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.7 OB(O)C1CCCC1 HY-W000955 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 S=C(S)N1CCCC1 HY-18738 [1,0,0,0,0,0|1,2,0]=4 19 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,0,1,0,0,0|0,0,2]=3 20 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,0,1,0,0,0|0,0,0]=1 22 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,0,1,0,0,0|1,0,0]=2 23 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,0,1,0,0,0|0,0,0]=1 24 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,0,1,0,0,0|0,0,0]=1 25 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,0,1,0,0,0|1,0,0]=2 26 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,0,1,0,0,0|1,0,0]=2 28 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,0,1,0,0,0|1,0,0]=2 29 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,0,1,0,0,0|1,0,0]=2 30 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,0,1,0,0,0|1,0,0]=2 32 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,0,1,0,0,0|1,0,0]=2 33 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,0,1,0,0,0|1,0,0]=2 34 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,0,1,0,0,0|1,0,0]=2 35 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,0,1,0,0,0|1,0,0]=2 36 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,0,1,0,0,0|1,0,0]=2 37 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,0,1,0,0,0|1,0,0]=2 38 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,0,1,0,0,0|1,0,0]=2 39 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,0,1,0,0,0|1,0,0]=2 40 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,0,1,0,0,0|1,0,0]=2 41 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,0,1,0,0,0|1,0,0]=2 42 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,0,1,0,0,0|1,0,0]=2 43 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [0,0,1,0,0,0|3,0,0]=4 44 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [0,0,1,0,0,0|3,0,0]=4 45 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.36 CCC(O)(CC)C(=O)O HY-142105 [0,0,1,0,0,0|1,0,0]=2 47 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,0,0,0,1,0|0,0,0]=1 48 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,1,0,0,0|0,0,2]=4 49 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,1,0,0,0|0,0,2]=4 51 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,1,0,0,0|0,0,2]=4 52 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,1,0,0,0|1,0,0]=3 53 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,1,0,0,0|2,0,0]=4 55 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.4 O=C(O)COCCS HY-140730 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,0,1,0,0,0|0,0,2]=4 60 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,1,0,0,0|0,0,2]=4 61 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,0,1,0,0,0|0,0,2]=4 62 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,1,0,0,0|1,0,1]=4 63 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,1,0,0,0|0,0,0]=2 64 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,1,0,0,0|0,0,0]=2 65 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,1,0,0,0|0,0,0]=2 66 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,1,0,0,0|0,0,0]=2 67 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,1,0,0,0|0,0,2]=4 68 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,1,0,0,0|1,0,0]=3 69 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,1,0,0,0|1,0,0]=3 70 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,1,0,0,0|1,0,0]=3 71 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,1,0,0,0|1,0,0]=3 73 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,1,0,0,0|1,0,0]=3 74 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,1,0,0,0|1,0,0]=3 75 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,1,0,0,0|1,0,0]=3 76 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,1,0,0,0|1,0,0]=3 77 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,1,0,0,0|1,0,0]=3 78 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,1,0,0,0|1,0,0]=3 79 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,1,0,0,0|1,0,0]=3 80 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,1,0,0,0|1,0,0]=3 81 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,0,1,0,0,0|0,0,2]=4 82 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,1,0,0,0|1,0,0]=3 83 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [1,0,1,0,0,0|1,0,0]=3 84 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [1,0,1,0,0,0|1,0,0]=3 85 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [1,0,1,0,0,0|0,0,0]=2 86 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [1,0,1,0,0,0|2,0,0]=4 87 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [1,0,1,0,0,0|1,0,0]=3 88 B7R0.15 CCC(CC)C(=O)O HY-W004154 [1,0,1,0,0,0|0,0,0]=2 89 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [1,0,1,0,0,0|2,0,0]=4 90 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [2,0,0,0,0,0|1,0,1]=4 91 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [2,0,0,0,0,0|1,0,1]=4 92 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,1,0,0,0|1,0,1]=4 93 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,1,0,0,0|1,0,1]=4 94 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,1,0,0,0|1,0,1]=4 95 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,1,0,0,0|1,0,0]=3 96 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,1,0,0,0|1,0,0]=3 98 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,1,0,0,0|1,0,0]=3 99 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,1,0,0,0|1,0,1]=4 100 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,1,0,0,0|1,0,1]=4 101 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,1,0,0,0|1,0,1]=4 102 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,1,0,0,0|1,0,1]=4 103 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,1,0,0,0|1,0,1]=4 104 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,1,0,0,0|1,0,1]=4 105 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,1,0,0,0|1,0,1]=4 106 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,1,1,0,0,0|1,0,1]=4 107 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,1,0,0,0|1,0,1]=4 109 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,1,0,0,0|1,0,1]=4 110 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,1,0,0,0|1,0,1]=4 111 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,1,0,0,0|1,0,1]=4 112 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,1,0,0,0|1,0,1]=4 113 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,1,0,0,0|1,0,1]=4 114 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,1,0,0,0|1,0,1]=4 115 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,1,1,0,0,0|1,0,0]=3 117 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,1,1,0,0,0|1,0,0]=3 118 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,1,1,0,0,0|1,0,1]=4 119 B9R0.47 C#CCSC[C@H](N)C(=O)O HY-W001538 [0,1,1,0,0,0|0,0,2]=4 120 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,1,1,0,0,0|0,0,2]=4 121 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,1,1,0,0,0|0,0,2]=4 122 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,1,1,0,0,0|1,0,0]=3 123 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,1,0,0,0|0,0,0]=2 124 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,1,0,0,0|0,0,0]=2 125 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,1,0,0,0|0,0,0]=2 126 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,1,0,0,0|0,0,0]=2 127 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,1,0,0,0|0,0,0]=2 128 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,1,0,0,0|0,0,0]=2 129 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,1,0,0,0|0,0,0]=2 130 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,1,1,0,0,0|1,0,0]=3 131 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,1,0,0,0|0,0,0]=2 132 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O HY-140346A [0,1,1,0,0,0|2,0,0]=4 133 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,1,1,0,0,0|1,0,1]=4 134 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.11 O=C(NO)C1=CCCC1 HY-117554 [1,1,0,0,0,0|0,0,2]=4 136 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [1,1,0,0,0,0|0,0,0]=2 137 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [1,1,0,0,0,0|1,0,0]=3 138 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [1,1,0,0,0,0|1,0,0]=3 139 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [1,1,0,0,0,0|1,0,0]=3 140 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [1,1,0,0,0,0|1,0,0]=3 142 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [1,1,0,0,0,0|1,0,0]=3 145 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [1,1,0,0,0,0|1,0,1]=4 146 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [1,1,0,0,0,0|1,0,1]=4 147 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [1,1,0,0,0,0|1,0,1]=4 148 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [1,1,0,0,0,0|1,0,1]=4 149 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,0,1,1,0,0|1,0,0]=3 152 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,1,1,0,0|1,0,0]=3 153 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,1,1,0,0|0,0,0]=2 154 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,1,1,0,0|2,0,0]=4 155 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,0,1,1,0,0|2,0,0]=4 156 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,0,1,1,0,0|2,0,0]=4 157 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,1,1,0,0|0,0,0]=2 158 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,1,1,0,0|0,0,0]=2 159 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,1,1,0,0|2,0,0]=4 160 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,0,1,1,0,0|0,0,0]=2 161 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,1,1,0,0|0,0,0]=2 162 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,0,1,0|1,0,0]=3 163 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,0,1,0|1,0,0]=3 164 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,0,1,0|1,0,0]=3 165 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,0,1,0,0,1|2,0,0]=4