0 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CC(CO)C(=O)O HY-113126 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CCC(O)C(=O)O HY-113381 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,0,0,0,0,0|1,1,1]=3 26 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,0,0,0,0,0|1,1,1]=3 27 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,0,0,0,0,0|1,0,1]=2 31 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,0,0,0,0,0|1,0,1]=2 33 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,0,0,0,0,0|1,0,1]=2 34 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,0,0,0,0,0|1,0,1]=2 35 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,0,0,0,0,0|1,1,1]=3 36 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,0,0,0,0,0|1,1,1]=3 37 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,0,0,0,0,0|1,1,1]=3 38 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,0,0,0,0,0|1,1,1]=3 39 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,0,0,0,0,0|1,1,1]=3 40 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,0,0,0,0,0|1,0,1]=2 42 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,0,0,0,0,0|1,1,1]=3 43 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,0,0,0,0,0|1,1,1]=3 44 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,0,0,0,0,0|1,1,1]=3 45 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,0,0,0,0,0|1,0,0]=1 47 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,0,0,0,0,0|0,0,2]=2 49 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,0,0,0,0,0|1,0,2]=3 53 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|3,0,0]=4 74 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|3,0,0]=4 76 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 O=C(CO)CO HY-Y0335 [1,0,0,0,0,0|0,0,1]=2 80 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,0,0,0,0|2,0,0]=3 81 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,0,0,0,0|2,1,0]=4 82 B5R0.3 O=CC(O)CO HY-128748 [1,0,0,0,0,0|0,0,2]=3 83 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,0,0,0,0|0,0,2]=3 84 B5R0.3 OCC(O)CO HY-B1659 [1,0,0,0,0,0|0,0,3]=4 85 B5R0.3 OCC(O)CO HY-B1659R [1,0,0,0,0,0|0,0,3]=4 86 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,0,0|0,0,0]=1 88 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,0,0|0,0,0]=1 89 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,0,0|0,0,0]=1 91 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,0,0|0,0,2]=3 94 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,0,0|0,0,2]=3 95 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,0,0|0,0,2]=3 96 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,0,0|0,0,2]=3 97 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,0,0|0,0,3]=4 98 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,0,0|0,0,3]=4 99 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,0,0|1,0,1]=3 101 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.5 N=C(N)S(=O)O HY-W015915 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,0,0,0,0,0|0,0,0]=1 105 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,0,0,0,0,0|0,0,0]=1 106 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,0,0,0,0,0|0,0,0]=1 107 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,0,0,0,0,0|0,0,0]=1 108 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.5 O=C(O)C(O)O HY-W019724 [1,0,0,0,0,0|0,0,2]=3 110 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,1,0,0,0,0|2,1,0]=4 121 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,1,0,0,0,0|1,1,1]=4 124 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,1,0,0,0,0|1,1,1]=4 125 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,1,0,0,0,0|1,1,1]=4 128 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,1,0,0,0,0|2,0,1]=4 130 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|1,0,1]=3 132 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,1,0,0,0,0|1,1,1]=4 133 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,1,0,0,0,0|1,1,1]=4 134 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|1,0,1]=3 141 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|1,0,1]=3 142 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|1,1,1]=4 143 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,0,0,0,0|1,1,1]=4 144 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,1,0,0,0,0|1,0,1]=3 145 B7R0.10 NNC(=O)C(=O)NN HY-W012887 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,0,0,0,0|0,0,2]=3 147 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,1,0,0,0,0|0,1,0]=2 148 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,1,0,0,0,0|2,0,0]=3 149 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,1,0,0,0,0|0,0,3]=4 150 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,0|2,0,1]=4 163 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,0|2,0,1]=4 165 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,0,0|1,0,1]=3 168 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,0,0|1,0,1]=3 169 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,0,0|1,0,1]=3 170 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,1,0,0,0,0|0,0,3]=4 173 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,0,0|1,0,1]=3 174 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,0,0|1,0,1]=3 175 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,0,0,1,0,0|2,0,1]=4 177 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,1,0,0|2,0,1]=4 182 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,0,0,0,0,1|3,0,0]=4 183 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,0,0,0,1|2,0,1]=4 184 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,0,0,0,1|2,0,1]=4 185 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,0,0,0,1|1,0,2]=4 186 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,0,0,0,1|3,0,0]=4 187 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,0,0,0,0,1|1,0,2]=4 188 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,0,0,0,0,1|1,0,1]=3 189 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,0,0,0,0,1|3,0,0]=4 190 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,1]=3 191 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,1]=3 192 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,1]=3 193 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,1]=3 194 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,1]=3 195 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,1]=4 197 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,1]=4 198 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|0,0,0]=2 199 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|0,0,1]=3 200 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 NC(=O)NO HY-B0313 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 NC(=O)NO HY-B0313R [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,0,0]=3 215 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,0,0]=3 218 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,0,0]=3 219 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|0,0,0]=2 220 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|1,0,0]=3 221 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|1,0,0]=3 222 B4R0.1 O=C([Zn])OO HY-B1818 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|0,0,0]=2 224 B4R0.1 O=C[Pb](=O)O HY-Y1877 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.1 O=P(=O)OO HY-B2243 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.1 O=P(=O)OO HY-B2243A [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 O=P(=O)OO HY-B2243B [2,0,0,0,0,0|2,0,0]=4 228 B4R0.1 O=P(=O)OO HY-B2243D [2,0,0,0,0,0|2,0,0]=4 229 B4R0.1 O=P(=O)OO HY-W094497 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.1 O=P(=O)OO HY-Y0332B [2,0,0,0,0,0|2,0,0]=4 231 B4R0.1 O=P(=O)OO HY-Y0332K [2,0,0,0,0,0|2,0,0]=4 232 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 233 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [2,0,0,0,0,0|1,1,0]=4 234 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,0,0]=3 235 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|0,0,1]=3 236 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|0,0,2]=4 237 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|1,0,1]=4 238 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|0,0,1]=3 240 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|0,0,1]=3 242 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|0,0,1]=3 246 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|0,0,1]=3 247 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|0,0,1]=3 249 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [1,1,0,0,0,0|1,0,1]=4 250 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|0,1,1]=4 256 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,1]=4 259 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [1,1,0,0,0,0|0,0,2]=4 263 B6R0.7 [2H]C([2H])(O)C(=O)O HY-W015967S [1,1,0,0,0,0|1,0,1]=4 264 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [1,1,0,0,0,0|1,0,1]=4 265 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,1,0,0,0,1|0,0,2]=4 266 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,1,0,0,0,1|0,0,2]=4 267 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,1|1,0,0]=3 268 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,1|2,0,0]=4 269 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,0,0,0,1|1,0,0]=3 270 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,1,0,0,0,1|2,0,0]=4 271 B8R0.19 O=C(CC(=O)O[Na])O[Na] HY-W017165 [0,1,0,0,0,1|2,0,0]=4 272 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,1,0,0,0,1|2,0,0]=4 273 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520 [0,1,0,0,0,1|1,0,1]=4 274 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520R [0,1,0,0,0,1|1,0,1]=4 275 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,1,0,0,0,1|1,0,1]=4 276 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,1,0,0,0,1|1,0,1]=4 277 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,1,0,0,0,1|0,0,1]=3 278 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,1,0,0,0,1|0,0,1]=3 279 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,2,0,0,0,0|1,0,1]=4 284 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|1,0,1]=4 285 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|1,0,1]=4 287 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|1,0,1]=4 288 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,0,0,1,0,1|2,0,0]=4 289 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,1|2,0,0]=4 290 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,1,0,1|2,0,0]=4 291 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,0,1,0,1|2,0,0]=4 292 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,0,0,1,0,1|1,0,0]=3 293 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,0,0,1,0,1|2,0,0]=4 294 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,1|2,0,0]=4 295 B8R1.5 O=C1C=COC=C1O HY-N1997 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|0,0,2]=4 302 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,0,0,0,0,2|1,0,0]=3 303 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,0,0,0,0,2|2,0,0]=4 304 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,0,0,0,0,2|1,0,0]=3 305 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,0,0,0,0,2|1,0,0]=3 306 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,0,0,0,0,2|1,0,0]=3