0 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,0,0,0,0,0|2,0,2]=4 2 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,0,0,0,0,0|1,0,1]=2 4 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,0|1,0,2]=3 7 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,0|1,0,2]=3 10 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,0|1,0,2]=3 14 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,0|0,0,2]=3 27 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [1,0,0,0,0,0|2,0,1]=4 31 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,1,0,0,0,0|1,0,1]=3 32 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,1,0,0,0,0|1,0,2]=4 33 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,1,0,0,0,0|1,0,2]=4 34 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,0|1,0,2]=4 36 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|1,0,2]=4 38 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,0,0,0,1,0|1,0,0]=2 39 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,0,0,0,1,0|1,0,1]=3 40 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,1,0|1,0,1]=3 41 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,0,0,0,1,0|1,0,1]=3 42 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,0,0,0,1,0|1,0,1]=3 43 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,0,0,0,1,0|1,0,1]=3 44 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,0,0,0,1,0|2,0,1]=4 45 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,0,0,0,1,0|2,0,1]=4 46 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,0,0,0,1,0|2,0,1]=4 47 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,0,0,0,1,0|2,0,1]=4 48 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,0,0,0,1,0|2,0,1]=4 49 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,0,0,0,1,0|2,0,1]=4 50 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,0,0,0,1,0|2,0,1]=4 51 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,0,0,0,1,0|2,0,1]=4 52 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HY-139427 [0,0,0,0,0,1|2,0,1]=4 53 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,0]=2 60 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.4 NC\C=C\C(=O)O HY-100800 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.3 CC(CBr)C(=O)O HY-W015332 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|1,0,1]=4 65 B6R0.3 CC(CO)C(=O)O HY-113126 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|1,0,0]=3 68 B6R0.3 CCC(=O)C(C)=O HY-W012998 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [2,0,0,0,0,0|0,0,0]=2 76 B6R0.3 O=C(O)C(=O)CBr HY-19992 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,1,0,0,1,0|0,0,1]=3 84 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,1,0,0,1,0|0,0,1]=3 85 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,1,0,0,1,0|1,0,1]=4 86 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,1,0,0,1,0|1,0,1]=4 87 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,1,0,0,1,0|1,0,1]=4 88 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,1,0,0,1,0|1,0,1]=4 89 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,1,0,0,1,0|1,0,1]=4 90 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,1,0,0,1,0|1,0,1]=4 91 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,1,0,0,1,0|1,0,1]=4 92 B10R0.93 CC(N)C(=O)NC(C)C(=O)O HY-W015449 [0,1,0,0,0,1|1,0,1]=4 93 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O HY-W015450 [0,1,0,0,0,1|1,0,1]=4 94 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O HY-W015450R [0,1,0,0,0,1|1,0,1]=4 95 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O HY-W010162 [0,1,0,0,0,1|1,0,1]=4 96 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O HY-W250715 [0,1,0,0,0,1|1,0,1]=4 97 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|0,0,0]=2 98 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,1]=4 102 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [1,0,0,1,0,0|1,0,1]=4 105 B10R1.329 CC1(C)OC(=O)CC(=O)O1 HY-Y0232 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,0,0,1,0,1|1,0,1]=4 107 B10R1.271 CN1C(=O)OC(C)(C)C1=O HY-A0092 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,1,0,1,0,0|1,0,1]=4