0 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CC(CO)C(=O)O HY-113126 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,0,0,0,0|1,1,1]=3 8 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,0,0,0,0|1,1,1]=3 9 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,0,0,0,0|0,1,1]=2 10 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CCC(O)C(=O)O HY-113381 [0,0,0,0,0,0|1,1,0]=2 12 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,0,0,0,0,0|1,1,0]=2 15 B6R0.3 CON(C)C(C)=O HY-W001095 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,0,0,0,0,0|3,0,0]=3 30 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,0,0,0,0,0|3,0,0]=3 36 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,0,0,0,0,0|2,1,1]=4 42 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,0,0,0,0,0|2,1,0]=3 43 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,0,0,0,0,0|2,1,0]=3 46 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 CCC(C)C=O HY-W020678 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.3 O=CC(O)CO HY-128748 [1,0,0,0,0,0|1,1,0]=3 67 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,0,0,0,0,0|1,1,0]=3 68 B5R0.3 OCC(S)CS HY-B1285 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,0,0|1,1,1]=4 71 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,0,0|1,1,1]=4 72 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,0,0|1,1,1]=4 74 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,0,0|1,1,0]=3 76 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,0,0|1,1,0]=3 77 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,0,0|1,1,0]=3 78 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,0,0|1,1,0]=3 79 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,0,0|1,1,0]=3 80 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,0,0|1,1,0]=3 81 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,0,0|1,1,0]=3 82 B5R0.5 CC(O)C(C)O HY-128387 [1,0,0,0,0,0|0,1,2]=4 83 B5R0.5 CC(O)C(C)O HY-128387R [1,0,0,0,0,0|0,1,2]=4 84 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [1,0,0,0,0,0|0,1,2]=4 85 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,0,0|2,0,0]=3 87 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,0,0|1,1,0]=3 88 B5R0.5 NC(=O)C(Br)Br HY-133665 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.5 O=C(O)C(O)O HY-W019724 [1,0,0,0,0,0|2,1,0]=4 91 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|1,1,1]=4 96 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|0,1,1]=3 101 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|2,0,0]=3 112 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,1,0,0,0,0|2,0,0]=3 114 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|1,1,1]=4 119 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|1,1,0]=3 120 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|2,0,0]=3 122 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.10 NC(CO)C(=O)NO HY-131894 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,1,0,0,0,0|1,1,0]=3 126 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,0,0|1,1,0]=3 130 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [0,1,0,0,0,0|2,1,0]=4 135 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,1,0,0,0,0|1,1,0]=3 136 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,1,0,0,0,0|2,1,0]=4 137 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|1,1,1]=4 138 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,0,0|1,1,0]=3 140 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,0,0|2,0,0]=3 141 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,0,0|2,0,0]=3 143 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,0,0|2,0,0]=3 146 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,0,0|2,0,0]=3 147 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,0,0|2,0,0]=3 148 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,0,0|2,0,0]=3 151 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [0,0,0,1,0,0|3,0,0]=4 156 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|2,0,0]=3 157 B7R1.4 N[C@H]1CONC1=O HY-B1122 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,1,0,0|2,0,0]=3 162 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,0,0,0,1|2,0,0]=3 163 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,0,0,0,1|2,0,0]=3 164 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,0,0,0,0,1|2,0,1]=4 165 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,0,0,0,1|1,0,0]=2 166 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,0,0,0,1|1,1,0]=3 167 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,0,0,0,1|1,1,1]=4 168 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,0,0,0,0,1|2,1,0]=4 169 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,0,0,0,0,1|3,0,0]=4 170 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|0,1,1]=4 171 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|0,1,0]=3 172 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|1,1,0]=4 174 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 CC(O)CN HY-W015969 [2,0,0,0,0,0|1,1,0]=4 177 B4R0.1 CC(O)CO HY-Y0921 [2,0,0,0,0,0|1,1,0]=4 178 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,1,0]=3 179 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 C[C@@H](N)CO HY-W010646 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 C[C@@H](O)CN HY-W002295 [2,0,0,0,0,0|1,1,0]=4 182 B4R0.1 C[C@@H](O)CO HY-Z0031 [2,0,0,0,0,0|1,1,0]=4 183 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,1,0]=4 193 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|2,0,0]=4 194 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|0,0,2]=4 200 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|1,0,0]=3 201 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|2,0,0]=4 206 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|0,0,2]=4 207 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.2 CC(N)CN(C)C HY-32007 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.2 CC(N)CN(C)C HY-32007A [1,1,0,0,0,0|2,0,0]=4 213 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|2,0,0]=4 217 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.4 CC(C)CCCO HY-W007511 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.4 CCCCC(N)=O HY-W144037 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.4 CCNCC(=O)O HY-W141879 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.4 CCOCC(=O)O HY-W027555 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.4 CN(C)CCCCl HY-W018789 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.4 CSCCC(=O)O HY-101401 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.4 NCCCC(=O)O HY-N0067 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.4 NCCCC(=O)O HY-N0067R [1,1,0,0,0,0|1,0,0]=3 231 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [1,1,0,0,0,0|1,1,0]=4 235 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,1|2,0,0]=4 237 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,1|2,0,0]=4 238 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,0,0,0,1|2,0,0]=4 239 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,0,0,0,1|2,0,0]=4 240 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,0,0,0,1|2,0,0]=4 241 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,1,0,0,0,1|1,1,0]=4 243 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,1|0,1,1]=4 244 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,1,0,0,0,1|1,0,0]=3 245 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,1,0,0,0,1|1,1,0]=4 246 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,0,0,0,1|0,1,1]=4 247 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|0,1,1]=4 248 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|0,1,0]=3 249 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,2,0,0,0,0|1,1,0]=4 254 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,2,0,0,0,0|2,0,0]=4 255 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,2,0,0,0,0|1,1,0]=4 258 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,2,0,0,0,0|2,0,0]=4 261 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,2,0,0,0,0|2,0,0]=4 264 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,2,0,0,0,0|2,0,0]=4 266 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,2,0,0,0,0|2,0,0]=4 267 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,2,0,0,0,0|2,0,0]=4 268 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,2,0,0,0,0|2,0,0]=4 273 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,2,0,0,0,0|2,0,0]=4 274 B8R0.36 CCC(O)(CC)C(=O)O HY-142105 [0,2,0,0,0,0|1,1,0]=4 275 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,2,0,0,0,0|1,1,0]=4 282 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,2,0,0,0,0|2,0,0]=4 283 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,2,0,0,0,0|2,0,0]=4 284 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,2,0,0,0,0|2,0,0]=4 285 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|1,1,0]=4 287 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,2]=4 288 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,0]=3 290 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,0,0,1,0,1|1,0,0]=3 294 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,1|0,1,1]=4 295 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,1,0,1|0,1,1]=4 296 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,1|0,1,1]=4 297 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|1,0,0]=3 300 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|0,1,1]=4 301 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.7 O=C(O)C1CSSC1 HY-50730 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|2,0,0]=4 310 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|1,1,0]=4 314 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|2,0,0]=4 316 B8R1.11 CCN1CCCC1=O HY-B1620 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.11 CCN1CCCC1=O HY-B1620B [0,1,0,1,0,0|2,0,0]=4 318 B8R1.11 CCN1CCCC1=O HY-B1620H [0,1,0,1,0,0|2,0,0]=4 319 B8R1.11 CCN1CCCC1=O HY-B1620I [0,1,0,1,0,0|2,0,0]=4 320 B8R1.11 CCN1CCCC1=O HY-B1620J [0,1,0,1,0,0|2,0,0]=4 321 B8R1.11 CCN1CCCC1=O HY-B1620L [0,1,0,1,0,0|2,0,0]=4 322 B8R1.11 CCN1CCCC1=O HY-B1620O [0,1,0,1,0,0|2,0,0]=4 323 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.39 COC(=O)C1(N)CC1 HY-W008219 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,1,0,1,0,0|1,1,0]=4 326 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|1,1,0]=4