0 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,0,0,0,0,0|2,1,1]=4 1 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CC(CO)C(=O)O HY-113126 [0,0,0,0,0,0|1,1,0]=2 5 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.3 CCC(O)C(=O)O HY-113381 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,0,0,0,0,0|1,1,0]=2 17 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,0,0,0,0,0|0,1,0]=1 18 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,0,0,0,0,0|0,0,0]=0 19 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,0,0,0,0,0|0,0,0]=0 20 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,0,0,0,0,0|0,1,0]=1 24 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,0,0,0,0,0|0,1,0]=1 26 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,0,0,0,0,0|0,1,0]=1 27 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,0,0,0,0,0|0,1,0]=1 28 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,0,0,0,0,0|0,0,0]=0 30 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,0,0,0,0,0|0,0,0]=0 32 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,0,0,0,0,0|0,0,0]=0 33 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,0,0,0,0,0|0,1,0]=1 35 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,0,0,0,0,0|0,0,0]=0 36 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,0,0,0,0,0|0,0,0]=0 37 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,0,0,0,0,0|0,0,0]=0 38 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,0,0,0,0,0|1,1,0]=2 41 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,0,0,0,0|1,0,0]=1 43 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,1,0]=3 47 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,1,0]=4 48 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,1,1]=4 49 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,1,1]=4 57 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.3 NCC(O)CO HY-W002040 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 O=CC(O)CO HY-128748 [1,0,0,0,0,0|1,1,0]=3 64 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,0,0,0,0|1,1,0]=3 65 B5R0.3 OCC(O)CO HY-B1659 [1,0,0,0,0,0|1,1,1]=4 66 B5R0.3 OCC(O)CO HY-B1659R [1,0,0,0,0,0|1,1,1]=4 67 B5R0.3 OCC(S)CS HY-B1285 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,0,0|0,0,0]=1 74 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,0,0|1,0,0]=2 77 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,0,0|1,0,0]=2 78 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,0,0|1,0,1]=3 80 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,0,0|1,0,1]=3 81 B5R0.5 CC(O)C(C)O HY-128387 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.5 CC(O)C(C)O HY-128387R [1,0,0,0,0,0|2,0,1]=4 83 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,0,0|0,0,0]=1 85 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,0,0|0,0,0]=1 86 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.5 N=C(N)S(=O)O HY-W015915 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,0,0,0,0,0|0,1,1]=3 89 B5R0.5 NC(=O)C(Br)Br HY-133665 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,0,0,0,0,0|1,1,1]=4 91 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,0,0,0,0,0|1,1,1]=4 92 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,0,0,0,0,0|1,1,1]=4 93 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,0,0,0,0,0|1,1,1]=4 94 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.5 O=C(O)C(O)O HY-W019724 [1,0,0,0,0,0|1,1,0]=3 96 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,1,0,0,0,0|0,1,0]=2 109 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|0,1,0]=2 111 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,1,0,0,0,0|0,0,0]=1 112 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,1,0,0,0,0|1,0,0]=2 114 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|0,1,0]=2 115 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|0,1,0]=2 116 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,1,0,0,0,0|0,0,0]=1 117 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,1,0,0,0,0|0,0,0]=1 118 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|0,1,0]=2 119 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|0,1,0]=2 125 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|0,1,0]=2 126 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|0,0,0]=1 127 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,0,0,0,0|0,0,0]=1 128 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,1,0,0,0,0|0,1,0]=2 129 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,0,0,0,0|1,1,0]=3 130 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,1,0,0,0,0|1,1,1]=4 132 B7R0.10 O[C@@H](CS)[C@@H](O)CS HY-15917A [0,1,0,0,0,0|1,1,1]=4 133 B7R0.10 O[C@H](CS)[C@@H](O)CS HY-15916 [0,1,0,0,0,0|1,1,1]=4 134 B7R0.10 O[C@H](CS)[C@H](O)CS HY-15917 [0,1,0,0,0,0|1,1,1]=4 135 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|0,1,0]=2 136 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,0,0|0,1,0]=2 141 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,1,0,0,0,0|0,1,0]=2 143 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,0,0|1,1,1]=4 144 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,0|1,0,0]=2 148 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,0|1,0,0]=2 149 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,0|1,0,0]=2 150 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,0,0|0,1,0]=2 151 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,0,0|0,1,0]=2 152 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,0,0|0,1,0]=2 153 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,0,0|0,1,0]=2 154 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,0,0|0,1,0]=2 155 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,0,0|0,1,0]=2 156 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,0,0|0,1,1]=3 157 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,0,0|0,1,0]=2 158 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,0,0|0,1,0]=2 159 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|1,1,0]=3 160 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|1,1,0]=3 161 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,0,0,1,0,0|1,1,0]=3 162 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|1,1,0]=3 163 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|1,1,0]=3 164 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,1,0,0|1,0,0]=2 168 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,0,0,0,1|2,0,0]=3 169 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,0,0,0,1|2,0,0]=3 170 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,0,0,0,1|3,0,0]=4 171 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,0,0,0,1|2,0,0]=3 172 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,0,0,0,0,1|2,0,0]=3 173 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,0,0,0,0,1|0,1,0]=2 174 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,2]=4 175 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,2]=4 176 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,2]=4 177 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,2]=4 178 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,2]=4 179 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,1,0]=4 181 B4R0.1 CC(O)CN HY-W015969 [2,0,0,0,0,0|1,0,1]=4 182 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|0,0,1]=3 186 B4R0.1 C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|0,0,0]=2 192 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|0,0,0]=2 193 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|0,0,0]=2 195 B4R0.1 NNC(N)=O HY-Y0470 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|0,0,0]=2 197 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|0,0,0]=2 198 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|0,1,0]=3 199 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|1,1,0]=4 200 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|1,1,0]=4 201 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|0,1,1]=4 202 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|0,0,0]=2 204 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 NCCCO HY-Y0139 [2,0,0,0,0,0|1,0,1]=4 206 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|0,1,0]=3 207 B4R0.2 OCCCBr HY-W007337 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.2 OCCCO HY-W017758 [2,0,0,0,0,0|0,1,1]=4 209 B4R0.2 OCCCS HY-W090210 [2,0,0,0,0,0|0,0,1]=3 210 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|1,0,0]=3 212 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|0,1,0]=3 214 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|0,1,0]=3 216 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|0,1,0]=3 221 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|2,0,0]=4 224 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|0,1,0]=3 225 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|0,1,0]=3 227 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|0,0,0]=2 233 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,0]=3 236 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.4 O=CNCC(=O)O HY-128735 [1,1,0,0,0,0|0,1,1]=4 238 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.5 NCCP(=O)(O)O HY-W006371 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.5 NCCS(=O)(=O)O HY-B0351R [1,1,0,0,0,0|2,0,0]=4 241 B6R0.5 O=P(O)(O)CCCl HY-W131845 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.5 O=S(=O)(O)CCO HY-Y0095 [1,1,0,0,0,0|1,1,0]=4 243 B6R0.8 CC(N)(CO)CO HY-W017054 [1,1,0,0,0,0|0,1,1]=4 244 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [1,1,0,0,0,0|0,0,0]=2 245 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.7 O=C(O)C(F)(F)F HY-W105853 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.7 [2H]C([2H])(O)C(=O)O HY-W015967S [1,1,0,0,0,0|1,1,0]=4 248 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [1,1,0,0,0,0|0,0,0]=2 249 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,1|2,0,0]=4 250 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,1|2,0,0]=4 251 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,0,0,0,1|2,0,0]=4 252 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,0,0,0,1|2,0,0]=4 253 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,0,0,0,1|2,0,0]=4 254 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,0,0,0,1|2,0,0]=4 255 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,1,0,0,0,1|1,1,0]=4 256 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,1,0,0,0,1|1,1,0]=4 257 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,1,0,0,0,1|2,0,0]=4 258 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,0,0,0,1|0,1,1]=4 259 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,0,0,0,1|0,1,1]=4 260 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,1,0,0,0,1|0,1,1]=4 261 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,0,0,0,1|0,1,1]=4 262 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|0,1,0]=3 264 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,2,0,0,0,0|1,0,0]=3 269 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,2,0,0,0,0|0,0,0]=2 271 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,2,0,0,0,0|0,0,0]=2 273 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,2,0,0,0,0|0,0,0]=2 274 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,2,0,0,0,0|0,0,0]=2 275 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,2,0,0,0,0|0,0,0]=2 277 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,2,0,0,0,0|0,0,0]=2 278 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,2,0,0,0,0|0,1,0]=3 279 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,2,0,0,0,0|0,1,0]=3 280 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,2,0,0,0,0|0,1,0]=3 281 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,2,0,0,0,0|1,0,0]=3 282 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,2,0,0,0,0|1,0,0]=3 287 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,2,0,0,0,0|1,0,0]=3 288 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [0,2,0,0,0,0|1,0,0]=3 290 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.36 CCC(O)(CC)C(=O)O HY-142105 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,2,0,0,0,0|1,0,0]=3 295 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,2,0,0,0,0|0,0,0]=2 297 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,2,0,0,0,0|0,0,0]=2 298 B8R0.27 [2H]C([2H])([2H])[C@@H](N)C(=O)O HY-41700S [0,2,0,0,0,0|1,0,0]=3 299 B8R0.27 [2H]C([2H])([2H])[C@H](N)C(=O)O HY-N0229S12 [0,2,0,0,0,0|1,0,0]=3 300 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,2,0,0,0,0|1,0,0]=3 302 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,2,0,0,0,0|1,0,0]=3 303 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,2,0,0,0,0|0,1,0]=3 304 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,1,0]=4 306 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,0]=3 307 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|1,1,0]=4 308 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|2,0,0]=4 311 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|1,0,0]=3 321 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,1,0,0|0,0,0]=2 323 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.39 COC(=O)C1(N)CC1 HY-W008219 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|1,1,0]=4 330 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,0,0,0,0,2|1,0,1]=4 331 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,0,0,0,0,2|1,0,1]=4