0 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,0,0|1,0,2]=3 10 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,0,0|1,0,2]=3 12 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,0,0|1,0,2]=3 13 B5R0.5 CC(O)C(C)O HY-128387 [0,0,0,0,0,0|0,0,4]=4 14 B5R0.5 CC(O)C(C)O HY-128387R [0,0,0,0,0,0|0,0,4]=4 15 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,0,0,0,0,0|0,0,4]=4 16 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.5 N=C(N)S(=O)O HY-W015915 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.5 NC(=S)C(N)=S HY-W010488 [0,0,0,0,0,0|2,2,0]=4 23 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,0,0|2,0,0]=2 26 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.5 O=C(O)C(O)O HY-W019724 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.5 O=S(=O)=[Cu](=O)=O HY-Y1878 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.5 O=S(=O)=[Cu](=O)=O HY-Y1878C [0,0,0,0,0,0|4,0,0]=4 31 B5R0.5 O=S(=O)=[Mn](=O)=O HY-Y1369C [0,0,0,0,0,0|4,0,0]=4 32 B5R0.5 O=S(=O)=[Zn](=O)=O HY-B1820 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.5 O=S(=O)=[Zn](=O)=O HY-W094709 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|0,0,0]=1 45 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|0,0,2]=3 46 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|0,0,3]=4 52 B4R0.1 CNC(=N)N HY-W005028 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 COC(N)=O HY-Y1401 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 NC(=O)CBr HY-W007330 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 NC(=O)CCl HY-W010629 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 NC(=O)CI HY-34477 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 NC(=O)NO HY-B0313 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 NC(=O)NO HY-B0313R [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 NCC(=O)O HY-Y0966 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 NCC(=O)O HY-Y0966R [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 NCC(N)=O HY-Y1123 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 NC[13C](=O)O HY-Y0966S4 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 NNC(N)=O HY-Y0470 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 O=C(O)CO HY-W015967 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 O=C(O)[Ba]O HY-Y0827 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 O=C(O)[Ca]O HY-W243408C [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 O=C([Zn])OO HY-B1818 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 O=S=S(=O)=O HY-108775A [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 O=[13C](O)O[Na] HY-W251598S [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,0,0,0,0|0,0,1]=2 78 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CC(CO)C(=O)O HY-113126 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|0,0,0]=1 87 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CCC(O)C(=O)O HY-113381 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.3 COC(=O)C(C)N HY-W010324 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.3 CON(C)C(C)=O HY-W001095 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,1,0,0,0,0|1,0,2]=4 100 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,1,0,0,0,0|1,0,0]=2 127 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,1,0,0,0,0|2,0,1]=4 139 B6R1.11 NC(=O)C1CO1 HY-119329 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,0,0,1,0,0|2,0,1]=4 141 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,0,1|0,0,1]=2 142 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,0,1|2,0,1]=4 143 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,0,1|2,0,1]=4 144 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,0,1|2,0,1]=4 145 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,0,1|2,0,1]=4 146 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,0,1|1,0,2]=4 147 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,0,1|3,0,0]=4 148 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,0,1|3,0,0]=4 149 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,0,1|3,0,0]=4 150 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,0,1|1,0,2]=4 151 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,0,1|2,0,1]=4 152 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,0,1|1,0,2]=4 153 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,0,1|2,0,0]=3 154 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,0,1|2,0,0]=3 155 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,0,1|2,0,0]=3 156 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 CNNC HY-W460407 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|0,0,2]=4 160 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|0,0,1]=3 161 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|0,0,1]=3 162 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|0,0,1]=3 163 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|0,0,1]=3 164 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|0,0,1]=3 165 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,2]=4 166 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,1,0]=4 168 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|2,0,0]=4 169 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|2,0,0]=4 170 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,0]=3 171 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|0,0,1]=3 172 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.2 NC(N)=O HY-Y0271 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.2 NC(N)=O HY-Y0271R [2,0,0,0,0,0|2,0,0]=4 175 B3R0.2 N[13C](N)=O HY-118877 [2,0,0,0,0,0|2,0,0]=4 176 B3R0.2 O=[13C]([O-])O HY-Y0287AS [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [2,0,0,0,0,0|2,0,0]=4 179 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.1 C=CCC(=O)O HY-W068697 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 CC(=O)CCO HY-W051287 [1,1,0,0,0,0|0,0,1]=3 182 B5R0.1 CC(=O)NCO HY-W024564 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.1 CC(C)=CC=O HY-34409 [1,1,0,0,0,0|1,0,0]=3 184 B5R0.1 CC(C)=CCO HY-W013035 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.1 CCCC(N)=O HY-W088319 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.1 CCOC(N)=O HY-B1207 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 CCOC(N)=O HY-B1207R [1,1,0,0,0,0|1,0,1]=4 188 B5R0.1 CN(C)CC=O HY-100061A [1,1,0,0,0,0|2,0,0]=4 189 B5R0.1 CNCC(=O)O HY-101037 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 CNCC(=O)O HY-101037R [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 COCC(=O)O HY-Y1009 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.1 NCCC(=O)O HY-N0230 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.3 CCC(=O)CO HY-W005327 [1,1,0,0,0,0|0,0,1]=3 195 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,1,0,0,0,0|1,0,1]=4 196 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,0,2]=4 197 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,1,0,0,0,0|1,0,1]=4 198 B5R0.3 CNC(=S)NC HY-W027951 [1,1,0,0,0,0|1,1,0]=4 199 B5R0.3 COC(=O)CN HY-Y1789 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.3 O=C(CO)CO HY-Y0335 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,1,0,0,0,0|2,0,0]=4 204 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|0,0,2]=4 206 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|0,0,2]=4 207 B5R0.4 COS(C)(=O)=O HY-W004702 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.4 COS(C)(=O)=O HY-W004702R [1,1,0,0,0,0|2,0,0]=4 209 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,1,0,0,0,1|1,0,0]=3 210 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,1,0,0,0,1|1,0,1]=4 211 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,1,0,0,0,1|2,0,0]=4 212 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,1,0,0,0,1|0,0,0]=2 213 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,1,0,0,0,1|0,0,2]=4 214 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,1,0,0,0,1|0,0,2]=4 215 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,1,0,0,0,1|1,0,0]=3 216 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,0,1|2,0,0]=4 217 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,0,1|2,0,0]=4 218 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,1,0,0,0,1|2,0,0]=4 219 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,2,0,0,0,0|0,0,0]=2 221 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,2,0,0,0,0|1,1,0]=4 222 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,2,0,0,0,0|1,0,1]=4 229 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.10 NNC(=O)C(=O)NN HY-W012887 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,2,0,0,0,0|2,0,0]=4 235 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,2,0,0,0,0|0,0,2]=4 238 B5R1.2 O=C1CCO1 HY-107931 [1,0,0,1,0,0|1,0,0]=3 239 B5R1.2 O=C1COC1 HY-76440 [1,0,0,1,0,0|0,0,2]=4 240 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,0,0,1,0,1|1,0,0]=3 241 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,0,0,1,0,1|1,0,0]=3 242 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,0,0,1,0,1|1,0,1]=4 243 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,0,0,1,0,1|0,0,2]=4 244 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,0,0,1,0,1|0,0,0]=2 245 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,0,0,1,0,1|0,0,0]=2 246 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,0,0,1,0,1|0,0,0]=2 247 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,0,0,1,0,1|1,1,0]=4 248 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,0,0,1,0,1|1,0,0]=3 249 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,0,0,1,0,1|1,1,0]=4 250 B7R1.4 CC1=CNN=C1C HY-W019334 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.4 CN1CCNC1=O HY-W005507 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,1,0,0|1,0,1]=4 255 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,1,0,0|1,0,1]=4 256 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,0,2|2,0,0]=4 257 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,2|1,0,0]=3 258 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,2|1,0,0]=3 259 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,2|0,0,0]=2 260 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,0,2|2,0,0]=4 261 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [0,0,0,0,0,2|2,0,0]=4 262 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,0,2|2,0,0]=4 263 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,0,2|2,0,0]=4 264 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,0,2|2,0,0]=4 265 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,0,2|2,0,0]=4 266 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,0,2|2,0,0]=4 267 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,0,0,0,0,2|2,0,0]=4 268 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,0,0,0,0,2|2,0,0]=4 269 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,0,2|2,0,0]=4