0 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 CC(C)CCCO HY-W007511 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CCCCB(O)O HY-W000932 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 CCCCC(N)=O HY-W144037 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CCNCC(=O)O HY-W141879 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CCOCC(=O)O HY-W027555 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.4 CN(C)CCCCl HY-W018789 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 CSCCC(=O)O HY-101401 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 N=C(N)SCCN HY-131929 [0,0,0,0,0,0|3,1,0]=4 11 B6R0.4 NCCCC(=O)O HY-N0067 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.4 NCCCC(=O)O HY-N0067R [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 C#CCC(=O)O HY-W004784 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 C=CCC(=O)O HY-W068697 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(=O)CCO HY-W051287 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CC(=O)NCO HY-W024564 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(O)CCO HY-77490A [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CCCB(O)O HY-W007470 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CCCC(N)=O HY-W088319 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CCOC(N)=O HY-B1207 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CCOC(N)=O HY-B1207R [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CCSC(=N)N HY-101252 [1,0,0,0,0,0|2,1,0]=4 25 B5R0.1 CNCC(=O)O HY-101037 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CNCC(=O)O HY-101037R [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 C[C@@H](O)CCO HY-77490 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 NCCC(=O)O HY-N0230 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 NCCS(=O)O HY-100803 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 NOCC(=O)O HY-107994 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 CCCSSC HY-N7436 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.2 CCSCCCl HY-W199190 [1,0,0,0,0,0|1,1,1]=4 35 B5R0.2 CC\C=C\C=O HY-W111375 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,1,0,0,0,0|2,0,0]=3 38 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.3 CCCCC(=O)NN HY-W012890 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.3 COC(=O)CCCBr HY-W004701 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 COC(=O)CCCN HY-79594 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.4 C#CCCCC(=O)O HY-Y0925 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.4 CCCCCC(C)N HY-B0952 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.4 CCCCCC(C)O HY-W015879 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.4 NCCCCC(=O)O HY-W015878 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.4 NCCOCC(=O)O HY-140643 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.4 NCCOCC(=O)O HY-140644 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.4 O=C(Cl)CCCCBr HY-43538 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.4 O=C(O)CCCCBr HY-W016456 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.4 O=C(O)COCCBr HY-130163 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.4 O=C(O)COCCS HY-140730 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.4 O=[N+]([O-])OCCCO HY-139566 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.5 NC(CCO)C(=O)O HY-W012870 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.5 NC(CCS)C(=O)O HY-W040821 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [0,1,0,0,0,0|3,0,0]=4 75 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [0,1,0,0,0,0|3,0,0]=4 77 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [0,1,0,0,0,0|3,0,0]=4 79 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,1,0,0,0,0|2,0,0]=3 86 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.8 CCCCC(C)(C)O HY-W111893 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.8 CS(=O)(=O)SCCN HY-120128 [0,1,0,0,0,0|2,1,0]=4 89 B7R0.8 NCCOP(=O)(O)O HY-N5034 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.8 NCCOP(=O)(O)O HY-N5034R [0,1,0,0,0,0|3,0,0]=4 91 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,1,0,0|0,0,0]=1 99 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 OC1CCCCC1 HY-Y1217 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.14 O=S1(=O)CCCN1 HY-W001194 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,0,0,1,0,0|2,0,0]=3 108 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,0]=3 110 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 CC[C@@H](C)O HY-W087952 [2,0,0,0,0,0|0,0,2]=4 115 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 NC(=O)CBr HY-W007330 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 NC(=O)CCl HY-W010629 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 NC(=O)CI HY-34477 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 NCC(N)=O HY-Y1123 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 O=C([Zn])OO HY-B1818 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.2 C=CCCN HY-W019321 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.2 CNCCO HY-Y1783 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 COCCO HY-139415 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.2 O=CCCO HY-N8461 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.2 O=COO[K] HY-Y1220D [2,0,0,0,0,0|2,0,0]=4 136 B4R0.2 O=COO[K] HY-Y1220J [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 O=COO[Na] HY-ER013C [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 O=COO[Na] HY-W251598B [2,0,0,0,0,0|2,0,0]=4 139 B4R0.2 O=COO[Na] HY-W251598C [2,0,0,0,0,0|2,0,0]=4 140 B6R0.1 C=CCC(=O)OC HY-W105369 [1,1,0,0,0,0|0,0,2]=4 141 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,1,0,0,0,0|1,0,0]=3 142 B6R0.1 CCOC(=O)CN HY-76204 [1,1,0,0,0,0|0,0,0]=2 143 B6R0.1 COC(=O)CCN HY-W007648 [1,1,0,0,0,0|1,0,0]=3 144 B6R0.1 COC(=O)CCO HY-42569 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.1 COC(=O)OCCl HY-43384 [1,1,0,0,0,0|1,0,0]=3 146 B6R0.1 O=C(CCO)O[Na] HY-W095705A [1,1,0,0,0,0|2,0,0]=4 147 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|0,0,2]=4 148 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.2 CC(N)CN(C)C HY-32007 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.2 CC(N)CN(C)C HY-32007A [1,1,0,0,0,0|2,0,0]=4 154 B6R0.2 CC(O)CC(=O)O HY-113378 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,1,0,0,0,0|2,0,0]=4 158 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,1,0,0,0,0|2,0,0]=4 164 B6R0.3 CC(CO)C(=O)O HY-113126 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,1,0,0,0,0|1,0,1]=4 167 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,1,0,0,0,0|0,0,1]=3 168 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 CCC(O)C(=O)O HY-113381 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,1,0,0,0,0|1,0,0]=3 171 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 CON(C)C(C)=O HY-W001095 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.5 CCOS(C)(=O)=O HY-W015854 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.6 BrCCOCCBr HY-W013458 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.6 C(CO)=CCCC HY-W015936 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.6 C=CCCCCO HY-W012995 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.6 CCCCCCO HY-W032022 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.6 CCC\C=C\C=O HY-128429 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.6 CC\C=C/CCO HY-W010607 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.6 NCCOCCN HY-140208 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.6 NCCOCCN HY-140648 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.6 OCCOCCBr HY-141213 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.6 OCCOCCO HY-B1952 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.6 SCCOCCS HY-145485 [1,1,0,0,0,0|1,0,1]=4 215 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,2,0,0,0,0|2,0,0]=4 217 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,2,0,0,0,0|2,0,0]=4 220 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,2,0,0,0,0|2,0,0]=4 221 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,2,0,0,0,0|0,0,0]=2 224 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,2,0,0,0,0|2,0,0]=4 229 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,2,0,0,0,0|2,0,0]=4 231 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,2,0,0,0,0|2,0,0]=4 232 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,2,0,0,0,0|2,0,0]=4 235 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,2,0,0,0,0|2,0,0]=4 239 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,2,0,0,0,0|1,0,1]=4 245 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,2,0,0,0,0|2,0,0]=4 248 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,2,0,0,0,0|2,0,0]=4 254 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,2,0,0,0,0|2,0,0]=4 257 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,2,0,0,0,0|2,0,0]=4 259 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,2,0,0,0,0|2,0,0]=4 260 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,2,0,0,0,0|2,0,0]=4 261 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,2,0,0,0,0|2,0,0]=4 266 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,2,0,0,0,0|2,0,0]=4 267 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,2,0,0,0,0|1,0,1]=4 268 B8R0.7 CC(=O)NCCCCN HY-113100 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,2,0,0,0,0|1,0,0]=3 272 B8R0.7 NCCOCCC(=O)O HY-140002 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.7 O=C(O)CCOCCO HY-116655 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.28 CC(=O)O[PbH2]OC(C)=O HY-W115728 [0,2,0,0,0,0|1,0,1]=4 278 B6R1.2 CN1CCCC1 HY-128383 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 N=C1CCCS1 HY-W015798 [1,0,0,1,0,0|1,1,0]=4 280 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|0,0,2]=4 281 B6R1.2 O=C1C=CCO1 HY-W008270 [1,0,0,1,0,0|0,0,2]=4 282 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.2 O=C1CCSC1 HY-W010594 [1,0,0,1,0,0|1,0,0]=3 284 B6R1.2 O=C1NCCN1 HY-W031536 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.11 NC(=O)C1CO1 HY-119329 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.11 O=C(O)C1CC1 HY-Y0001 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,1,0,1,0,0|0,0,0]=2 288 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,1,0,1,0,0|0,0,1]=3 293 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.2 OCC1CCCCO1 HY-115051 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.5 CC1CCCCC1=O HY-W010549 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.5 NC1CCCNC1=O HY-21088 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,1,0,1,0,0|0,0,0]=2 303 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [0,1,0,1,0,0|2,0,0]=4 314 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [0,1,0,1,0,0|2,0,0]=4