0 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,0,0|2,0,1]=3 15 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|0,0,3]=4 20 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,1,0,0,0,0|1,0,1]=3 36 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520R [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,0|0,0,3]=4 42 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,0|0,0,3]=4 43 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,0,0|0,0,2]=3 45 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,0,0|0,0,2]=3 46 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,0,0|0,0,2]=3 49 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,0,0|0,0,2]=3 51 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,0,0|0,0,2]=3 53 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,1,0,0,0,0|3,0,0]=4 57 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,0,0,0,0|2,0,1]=4 67 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,1,0,0,0,0|2,0,1]=4 68 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,1,0,0,0,0|2,0,0]=3 70 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,1,0,0,0,0|2,0,1]=4 72 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,1,0,0,0,0|2,0,1]=4 75 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,0|1,0,2]=4 82 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,1,0|2,0,0]=3 83 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,1,0|1,0,2]=4 84 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,1,0|0,0,1]=2 85 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,1,0|1,0,1]=3 86 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,1,0|0,0,1]=2 87 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,1,0|1,0,1]=3 88 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,1,0|1,0,1]=3 89 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,1,0|1,0,0]=2 90 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,1,0|1,0,0]=2 91 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,1,0|1,0,0]=2 92 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,1,0|1,0,1]=3 93 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,1,0|1,0,1]=3 94 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,1,0|1,0,1]=3 95 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,1,0|3,0,0]=4 96 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,1,0|3,0,0]=4 97 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,1,0|2,0,1]=4 98 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,1|1,0,0]=2 99 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,0,0,0,1|1,0,1]=3 100 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,0,1|1,0,1]=3 101 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,0,0,0,1|2,0,1]=4 102 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,0,0,0,1|2,0,1]=4 103 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,0,0,0,0,1|2,0,1]=4 104 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,0,0,0,0,1|2,0,1]=4 105 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,0,0,0,0,1|2,0,1]=4 106 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,0,0,0,0,1|2,0,0]=3 107 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,0,0,0,0,1|2,0,0]=3 108 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|0,0,2]=4 109 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,0]=2 110 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,0]=2 113 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|0,0,0]=2 114 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 118 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 119 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,0]=2 120 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,2]=4 123 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|0,0,2]=4 124 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|0,0,2]=4 125 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|0,0,2]=4 126 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,2]=4 129 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,0]=2 130 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,1,0,0,0,0|0,0,1]=3 131 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,1,0,0,0,0|0,0,1]=3 132 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,1,0,0,0,0|0,0,2]=4 133 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,1,0,0,0,0|0,0,2]=4 134 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|0,0,2]=4 135 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,1,0,0,0,0|0,0,2]=4 141 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,1,0,0,0,0|0,0,2]=4 142 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,1,0,0,0,0|0,0,2]=4 147 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,1,0|0,0,1]=3 152 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,1,0|1,0,0]=3 153 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,1,0,0,1,0|1,0,1]=4 154 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,1,0,0,1,0|1,0,1]=4 155 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,1,0|2,0,0]=4 156 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,1,0|0,0,1]=3 157 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,1,0|0,0,1]=3 158 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,1,0|0,0,1]=3 159 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,1,0|0,0,1]=3 160 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,1,0|0,0,1]=3 161 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,1,0|0,0,1]=3 162 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,1,0|1,0,1]=4 163 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,1,0|1,0,1]=4 164 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,1,0|1,0,1]=4 165 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,1,0|1,0,1]=4 166 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,1,0|1,0,1]=4 167 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,1,0|1,0,1]=4 168 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,1,0|2,0,0]=4 169 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,1,0|1,0,1]=4 170 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,1,0|1,0,1]=4 171 B9R0.1 C=CC(=C)CCC=C(C)C HY-N0803 [0,1,0,0,0,1|2,0,0]=4 172 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,1,0,0,0,1|1,0,1]=4 173 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,0,1|1,0,1]=4 174 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,0,1|1,0,1]=4 175 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,0,1|1,0,1]=4 176 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,1,0,0,0,1|0,0,1]=3 177 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,1,0,0,0,1|1,0,1]=4 178 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,0,0,0,1|1,0,1]=4 179 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,0,0,0,1|1,0,1]=4 180 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,0,0,0,1|2,0,0]=4 181 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,0,0,0,1|2,0,0]=4 182 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,0,0,0,1|2,0,0]=4 183 B9R0.7 O=C(O)CNC(=O)C(=O)O HY-12315 [0,1,0,0,0,1|2,0,0]=4 184 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,0,0,0,1|2,0,0]=4 185 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HY-139427 [0,1,0,0,0,1|2,0,0]=4 186 B9R0.53 O=C(O)CC(=O)CC(=O)O HY-W007752 [0,1,0,0,0,1|2,0,0]=4 187 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,1,0,0,0,1|1,0,1]=4 188 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,2,0,0,0,0|0,0,2]=4 189 B9R0.23 CN(CC(=O)O)C(=O)CN HY-W010276 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,2,0,0,0,0|0,0,2]=4 191 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,2,0,0,0,0|1,0,1]=4 194 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,2,0,0,0,0|1,0,1]=4 195 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363R [0,2,0,0,0,0|1,0,1]=4 197 B9R0.42 C=C(CC(=O)OC)C(=O)O HY-W094214 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247 [0,2,0,0,0,0|2,0,0]=4 200 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,2,0,0,0,0|1,0,1]=4 203 B9R0.39 CC(=O)NC(CO)C(=O)O HY-W142092 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HY-134222A [0,2,0,0,0,0|2,0,0]=4 205 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215R [0,2,0,0,0,0|2,0,0]=4 207 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,2,0,0,0,0|0,0,2]=4 208 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 209 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,0]=2 210 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,2]=4 211 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,2]=4 218 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,1,0,1,0,0|0,0,2]=4 220 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,2,0|1,0,1]=4 221 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,2,0|1,0,0]=3 222 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,2,0|1,0,0]=3 223 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,2,0|2,0,0]=4 224 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,2,0|1,0,0]=3 225 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,2,0|1,0,1]=4 226 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,2,0|1,0,1]=4 227 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,2,0|1,0,1]=4 228 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,2,0|1,0,1]=4 229 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,2,0|1,0,1]=4 230 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,2,0|1,0,1]=4 231 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,2,0|1,0,1]=4 232 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,2,0|1,0,1]=4 233 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,2,0|1,0,1]=4 234 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,2,0|2,0,0]=4 235 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,2,0|2,0,0]=4 236 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,2,0|2,0,0]=4 237 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,2,0|2,0,0]=4 238 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,2,0|2,0,0]=4 239 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,0,0,0,0,2|1,0,1]=4 240 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,2|0,0,2]=4 241 B9R0.55 O=C(O)C\C=C\CC(=O)O HY-128426 [0,0,0,0,0,2|2,0,0]=4