0 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520R [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,0|2,0,1]=3 10 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,0,0,0,0,0|0,0,0]=0 20 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,0,0,0,0,0|0,0,0]=0 21 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,0,0,0,0,0|0,0,0]=0 22 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,0,0,0,0,0|0,0,0]=0 23 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,0,0,0,0,0|1,0,0]=1 25 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,0,0,0,0,0|1,0,1]=2 26 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] HY-N0666B [0,0,0,0,0,0|1,0,1]=2 27 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,0,0,0,0,0|2,0,1]=3 31 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,0,0,0,0,0|2,0,0]=2 33 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,0,0,0,0,0|2,0,0]=2 36 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,0,0,0,0,0|0,0,0]=0 38 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,0,0,0,0,0|1,0,0]=1 39 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,0,0,0,0|0,1,1]=3 53 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,0,0,0,0|0,0,1]=2 54 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,0,0,0,0|0,0,1]=2 55 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,0,0,0,0|0,0,2]=3 56 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,0,0,0,0|0,0,2]=3 57 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,0,0,0,0|0,1,1]=3 58 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,0,0,0,0|0,1,1]=3 59 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,0,0,0,0|0,0,2]=3 60 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,0,0,0,0|0,0,1]=2 62 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,0|2,0,1]=4 67 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [1,0,0,0,0,0|0,0,2]=3 69 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,0,0,0,0,0|1,0,0]=2 72 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [1,0,0,0,0,0|1,0,2]=4 75 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [1,0,0,0,0,0|1,0,2]=4 76 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,0,0,0,0,0|1,0,0]=2 78 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,1,0,0,0,0|2,0,0]=3 79 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.11 CC(O)(CC(=O)[O-])C(=O)[O-] HY-23195 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.11 [2H]C([2H])(NC(=N)N)C(=O)O HY-W021448S [0,1,0,0,0,0|3,0,0]=4 82 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [0,1,0,0,0,0|1,0,0]=2 84 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,1,0,0,0,0|2,0,1]=4 85 B9R0.39 CC(=O)NC(CO)C(=O)O HY-W142092 [0,1,0,0,0,0|3,0,0]=4 86 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HY-134222A [0,1,0,0,0,0|3,0,0]=4 87 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215R [0,1,0,0,0,0|3,0,0]=4 89 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,1,0,0,0,0|1,0,0]=2 90 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,1,0,0,0,0|1,0,0]=2 91 B9R0.42 C=C(CC(=O)OC)C(=O)O HY-W094214 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O HY-W140900 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.57 NC(CP(=O)(O)O)C(=O)O HY-100786 [0,1,0,0,0,0|2,0,0]=3 97 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009A [0,1,0,0,0,0|2,0,0]=3 98 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,1,0,0,0,0|1,0,2]=4 100 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O HY-133681A [0,1,0,0,0,0|2,0,0]=3 102 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436 [0,1,0,0,0,0|2,0,0]=3 103 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436R [0,1,0,0,0,0|2,0,0]=3 104 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-Y1134 [0,1,0,0,0,0|2,0,0]=3 105 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-D0850 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-Y1315 [0,1,0,0,0,0|2,0,0]=3 107 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O HY-B1768 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036R [0,1,0,0,0,0|2,0,0]=3 110 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-W127787 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,0|1,0,2]=4 114 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,0|1,0,2]=4 115 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,0|1,0,2]=4 116 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,0|1,0,2]=4 117 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,0|1,0,2]=4 118 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,0|1,0,2]=4 119 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,0|1,0,2]=4 120 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,0,0|3,0,0]=4 123 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,0|1,0,2]=4 126 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O HY-125791 [0,0,0,1,0,0|2,0,0]=3 128 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,0,0,0,1,0|2,0,0]=3 129 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,0,0,0,1,0|2,0,1]=4 130 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,0,0,0,1,0|2,0,1]=4 131 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,0,0,0,1,0|2,0,1]=4 132 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,0,0,0,1,0|2,0,1]=4 133 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,0,0,0,1,0|1,0,2]=4 134 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,0,0,0,1,0|1,0,2]=4 135 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,0,0,0,1,0|1,0,2]=4 136 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,0,0,0,1,0|1,0,2]=4 137 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,0,0,0,1,0|1,0,2]=4 138 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,0,0,0,1,0|1,0,2]=4 139 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,0,0,0,1,0|1,0,0]=2 140 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,0,0,0,1,0|1,0,2]=4 141 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,0,0,0,1,0|1,0,2]=4 142 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,0,0,0,0,1|1,0,0]=2 143 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,0,0,0,0,1|1,0,0]=2 144 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,0,0,0,0,1|1,0,0]=2 145 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,0,0,0,0,1|2,0,0]=3 146 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,0,0,0,0,1|2,0,0]=3 147 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,0,0,0,0,1|2,0,0]=3 148 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,0,0,0,0,1|2,0,0]=3 149 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,0,0,0,0,1|3,0,0]=4 150 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,0,0,0,0,1|3,0,0]=4 151 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,0,0,0,0,1|0,0,0]=1 152 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,0,0,0,0,1|0,0,0]=1 153 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,0,0,0,0,1|0,0,0]=1 154 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,0,0,0,0,1|0,0,0]=1 155 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,0,0,0,0,1|0,0,0]=1 156 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,0,0,0,0,1|0,0,0]=1 157 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,0,0,0,0,1|1,0,0]=2 158 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,0,0,0,0,1|1,0,0]=2 159 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,0,0,0,0,1|1,0,0]=2 160 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,0,0,0,0,1|1,0,0]=2 161 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,0,0,0,0,1|1,0,0]=2 162 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,0,0,0,0,1|1,0,0]=2 163 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,0,0,0,0,1|1,0,0]=2 164 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,0,0,0,0,1|1,0,0]=2 165 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,0,0,0,0,1|1,0,0]=2 166 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,0,0,0,0,1|1,0,0]=2 167 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,0,0,0,0,1|1,0,0]=2 168 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,0,0,0,0,1|2,0,1]=4 169 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,0,0,0,0,1|2,0,1]=4 170 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,0,0,0,0,1|2,0,1]=4 171 B9R0.7 O=C(O)CNC(=O)C(=O)O HY-12315 [0,0,0,0,0,1|2,0,1]=4 172 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,0,0,0,0,1|2,0,1]=4 173 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,0,0,0,0,1|1,0,0]=2 174 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,0,0,0,0,1|2,0,0]=3 175 B9R0.53 CN(CC(=O)O)CC(=O)O HY-W007872 [0,0,0,0,0,1|3,0,0]=4 176 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HY-139427 [0,0,0,0,0,1|2,0,1]=4 177 B9R0.53 O=C(O)CC(=O)CC(=O)O HY-W007752 [0,0,0,0,0,1|2,0,1]=4 178 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.2 CC(N)CC(=O)O HY-W008833 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.2 CC(O)CC(=O)O HY-113378 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|0,0,1]=3 189 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|0,0,1]=3 190 B6R0.4 O=CNCC(=O)O HY-128735 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.3 CC(CBr)C(=O)O HY-W015332 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|1,0,0]=3 194 B6R0.3 CC(CO)C(=O)O HY-113126 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|0,0,1]=3 196 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|0,0,1]=3 198 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|1,0,0]=3 201 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|1,0,0]=3 202 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.3 NC(CO)C(=O)O HY-Y0507 [2,0,0,0,0,0|0,0,1]=3 204 B6R0.3 NC(CS)C(=O)O HY-W013651 [2,0,0,0,0,0|0,1,0]=3 205 B6R0.3 NC(CS)C(=O)O HY-W016716 [2,0,0,0,0,0|0,1,0]=3 206 B6R0.3 NCC(N)C(=O)O HY-W013674 [2,0,0,0,0,0|0,0,0]=2 207 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [2,0,0,0,0,0|0,0,0]=2 208 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [2,0,0,0,0,0|0,0,0]=2 209 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [2,0,0,0,0,0|0,0,1]=3 210 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [2,0,0,0,0,0|1,0,0]=3 211 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [2,0,0,0,0,0|0,0,1]=3 212 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [2,0,0,0,0,0|0,0,1]=3 213 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [2,0,0,0,0,0|0,0,1]=3 214 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [2,0,0,0,0,0|0,1,0]=3 215 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [2,0,0,0,0,0|0,1,0]=3 216 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [2,0,0,0,0,0|0,1,0]=3 217 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [2,0,0,0,0,0|0,1,0]=3 218 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [2,0,0,0,0,0|0,1,0]=3 219 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [2,0,0,0,0,0|0,0,1]=3 221 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [2,0,0,0,0,0|0,1,0]=3 222 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [2,0,0,0,0,0|0,1,0]=3 223 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [2,0,0,0,0,0|0,1,0]=3 224 B6R0.3 O=C(O)C(O)CO HY-W018035 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|0,0,1]=3 226 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [2,0,0,0,0,0|1,0,0]=3 227 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,1,0,0,0,0|1,0,1]=4 229 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,1,0,0,0,0|1,0,1]=4 230 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,1,0,0,0,0|1,0,1]=4 231 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [1,1,0,0,0,0|0,1,1]=4 232 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [1,1,0,0,0,0|0,1,1]=4 233 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [1,1,0,0,0,0|0,1,1]=4 234 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [1,1,0,0,0,0|0,1,1]=4 235 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [1,1,0,0,0,0|0,1,1]=4 236 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [1,1,0,0,0,0|0,1,1]=4 237 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [1,1,0,0,0,0|0,1,1]=4 238 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [1,1,0,0,0,0|0,1,1]=4 239 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [1,1,0,0,0,0|0,1,1]=4 240 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [1,1,0,0,0,0|0,0,1]=3 241 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [1,1,0,0,0,0|0,0,1]=3 242 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [1,1,0,0,0,0|0,0,1]=3 243 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [1,1,0,0,0,0|0,0,1]=3 244 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [1,1,0,0,0,0|0,0,1]=3 245 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [1,1,0,0,0,0|0,0,1]=3 246 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [1,1,0,0,0,0|0,0,1]=3 247 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [1,1,0,0,0,0|1,0,1]=4 249 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [1,1,0,0,0,0|1,0,1]=4 251 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [1,1,0,0,0,0|1,0,1]=4 252 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|1,0,0]=3 254 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [1,1,0,0,0,0|0,0,0]=2 255 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [1,1,0,0,0,0|0,0,0]=2 256 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [1,1,0,0,0,0|1,0,0]=3 257 B8R0.29 O=C(O)CCS(=O)(=O)O HY-W251779 [1,1,0,0,0,0|2,0,0]=4 258 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,1,0,0,1,0|2,0,0]=4 259 B8R0.37 CC(C)(C(=O)O)C(=O)O HY-W007894 [0,1,0,0,1,0|2,0,0]=4 260 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O HY-W015425 [0,1,0,0,0,1|1,0,0]=3 261 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] HY-W016145 [0,1,0,0,0,1|1,0,0]=3 262 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,1,0,0,0,1|1,0,0]=3 263 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,1,0,0,0,1|1,0,0]=3 264 B10R0.82 NC(CCC(=O)O[Na])C(=O)O HY-W250122 [0,1,0,0,0,1|1,0,0]=3 265 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,1,0,0,0,1|0,0,2]=4 266 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,1,0,0,0,1|0,0,2]=4 267 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O HY-137874 [0,1,0,0,0,1|0,0,0]=2 268 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O HY-W141949 [0,1,0,0,0,1|1,0,0]=3 269 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O HY-W337739 [0,1,0,0,0,1|1,0,0]=3 270 B10R0.82 N[C@@H](CCC(=O)O[Na])C(=O)O HY-14608A [0,1,0,0,0,1|1,0,0]=3 271 B10R0.84 CNC(CCC(=O)O)C(=O)O HY-W015424 [0,1,0,0,0,1|1,0,0]=3 272 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HY-W019870 [0,1,0,0,0,1|2,0,0]=4 273 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O HY-W338140 [0,1,0,0,0,1|1,0,1]=4 274 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O HY-W097491 [0,1,0,0,0,1|2,0,0]=4 275 B10R0.92 NC(CCP(=O)(O)O)C(=O)O HY-100743 [0,1,0,0,0,1|2,0,0]=4 276 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O HY-W016342 [0,1,0,0,0,1|2,0,0]=4 277 B10R0.92 NC(COP(=O)(O)O)C(=O)O HY-15130 [0,1,0,0,0,1|2,0,0]=4 278 B10R0.92 NC(COP(=O)(O)O)C(=O)O HY-15130R [0,1,0,0,0,1|2,0,0]=4 279 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O HY-138903 [0,1,0,0,0,1|2,0,0]=4 280 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O HY-15129 [0,1,0,0,0,1|2,0,0]=4 281 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O HY-15129R [0,1,0,0,0,1|2,0,0]=4 282 B10R0.165 CC(C)(CC(=O)O)CC(=O)O HY-W008097 [0,1,0,0,0,1|2,0,0]=4 283 B10R0.165 CC(O)(CC(=O)O)CC(=O)O HY-B1189 [0,1,0,0,0,1|2,0,0]=4 284 B10R0.46 COC(=O)CC(N)C(=O)OC HY-W067478 [0,2,0,0,0,0|1,0,0]=3 285 B10R0.46 N[C@@H](CC(=O)O[Na])C(=O)O[Na] HY-N0666D [0,2,0,0,0,0|1,0,0]=3 286 B10R0.46 O=C(CC(O)C(=O)O[Na])O[Na] HY-W250303 [0,2,0,0,0,0|2,0,0]=4 287 B10R0.46 O=C(CC(O)C(=O)O[Na])O[Na] HY-W250303A [0,2,0,0,0,0|2,0,0]=4 288 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC HY-W009840 [0,2,0,0,0,0|1,0,0]=3 289 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O HY-126085 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.18 CN1CC(=O)NC1=O HY-113382 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.18 NN1CC(=O)NC1=O HY-23506 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.18 NN1CC(=O)NC1=O HY-Y0469 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.18 NN1CC(=O)NC1=O HY-Y0469R [1,0,0,1,0,0|1,0,0]=3 295 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,1]=4 296 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,1]=4 299 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,1]=4 300 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,1]=4 301 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [1,0,0,1,0,0|2,0,0]=4 306 B10R1.13 NC1=NCC(C(=O)O)CN1 HY-124285 [0,0,0,1,0,1|2,0,0]=4 307 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,1,0,0|2,0,0]=4 308 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,0,0,0,0,1|1,0,0]=3 309 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,0,0,0,0,1|1,0,0]=3 310 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [1,0,0,0,0,1|1,0,0]=3 311 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [1,0,0,0,0,1|0,0,0]=2 312 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [1,0,0,0,0,1|1,0,0]=3 313 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [1,0,0,0,0,1|1,0,0]=3 314 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [1,0,0,0,0,1|1,0,0]=3 315 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [1,0,0,0,0,1|1,0,1]=4 316 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [1,0,0,0,0,1|1,0,1]=4 317 B10R0.96 CC(CCC(=O)O)CC(=O)O HY-113277 [0,0,0,0,0,2|2,0,0]=4 318 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,0,0,0,0,2|1,0,0]=3 319 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O HY-D0205A [0,0,0,0,0,2|1,0,0]=3 320 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,0,0,0,0,2|1,0,0]=3 321 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,0,0,0,0,2|1,0,0]=3