0 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 COC(=O)C(C)N HY-W010324 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 CON(C)C(C)=O HY-W001095 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CC(C)=CC=O HY-34409 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CC(C)=CCO HY-W013035 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 COCC(=O)O HY-Y1009 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C\C=C\C(=O)O HY-Y1644 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.3 CCC(=O)CO HY-W005327 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 CCC(=O)O[Na] HY-B1773A [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [1,0,0,0,0,0|1,0,1]=3 30 B5R0.3 CNC(=S)NC HY-W027951 [1,0,0,0,0,0|2,1,0]=4 31 B5R0.3 COC(=O)CN HY-Y1789 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.3 NCC(=O)O[Na] HY-W015946 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 O=C(CI)O[Na] HY-D0849 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 O=C(CO)O[Na] HY-W088011B [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 O=C(CS)O[Na] HY-W115724 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,0,0|1,0,0]=2 39 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,0,0|1,0,1]=3 46 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,0,0|1,0,2]=4 48 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,0,0|1,0,2]=4 49 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,0,0|1,0,1]=3 51 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.5 N=C(N)S(=O)O HY-W015915 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,0,0,0,0,0|2,0,0]=3 57 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.5 O=C(O)C(O)O HY-W019724 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,1,0,0,0,0|0,0,0]=1 67 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,1,0,0,0,0|1,0,1]=3 71 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,1,0,0,0,0|3,0,0]=4 75 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.4 CC1=CNN=C1C HY-W019334 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.4 CN1CCCC1=O HY-Y1275 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.4 CN1CCNC1=O HY-W005507 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.4 NC1CCSC1=O HY-101404 [0,0,0,1,0,0|1,1,1]=4 82 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,0,0,1,0,0|1,1,1]=4 83 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,0,0,1,0,0|1,0,1]=3 84 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,0,0,0,0,1|2,0,0]=3 85 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,0,0,0,0,1|2,0,1]=4 86 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,0,0,0,1|1,0,0]=2 87 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,0,0,0,0,1|2,0,1]=4 88 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,0,0,0,0,1|2,0,1]=4 89 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,0,0,0,0,1|1,0,1]=3 90 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,0,0,0,0,1|1,0,1]=3 91 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,0,0,0,0,1|2,0,0]=3 92 B4R0.1 C=CC(=O)O HY-W243303A [2,0,0,0,0,0|0,0,0]=2 93 B4R0.1 C=CC(=O)O HY-W243303C [2,0,0,0,0,0|0,0,0]=2 94 B4R0.1 C=CC(=O)O HY-W243303D [2,0,0,0,0,0|0,0,0]=2 95 B4R0.1 C=CC(=O)O HY-W243303E [2,0,0,0,0,0|0,0,0]=2 96 B4R0.1 C=CC(=O)O HY-W243303O [2,0,0,0,0,0|0,0,0]=2 97 B4R0.1 C=CC(N)=O HY-W115727 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.1 C=CC(N)=O HY-W115727A [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 C=CC(N)=O HY-W115727B [2,0,0,0,0,0|1,0,0]=3 100 B4R0.1 CC(=O)C=O HY-W020014 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CC(=O)CO HY-Y1366 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 CC(=O)NBr HY-131899 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CC(=O)NO HY-B1235 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CC(=O)O[K] HY-Y0319B [2,0,0,0,0,0|1,0,0]=3 105 B4R0.1 CC(=O)O[K] HY-Y0319B1 [2,0,0,0,0,0|1,0,0]=3 106 B4R0.1 CC(C)=NO HY-W008840 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 COC(N)=O HY-Y1401 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.1 NCC(=O)O HY-Y0966 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 NCC(=O)O HY-Y0966R [2,0,0,0,0,0|1,0,1]=4 110 B4R0.1 NC[13C](=O)O HY-Y0966S4 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [2,0,0,0,0,0|1,0,1]=4 113 B4R0.1 O=C(O)CO HY-W015967 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 O=C(O)[Ba]O HY-Y0827 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 O=C(O)[Ca]O HY-W243408C [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 O=C([Zn])OO HY-B1818 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 O=CC(=O)O HY-79494 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 O=C[Pb](=O)O HY-Y1877 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 O=[13C](O)O[Na] HY-W251598S [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [2,0,0,0,0,0|1,0,1]=4 121 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 C=CCSC HY-128447 [2,0,0,0,0,0|0,1,1]=4 123 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [1,1,0,0,0,0|0,0,2]=4 125 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [1,1,0,0,0,0|0,0,2]=4 126 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,1,0,0,0,1|0,0,2]=4 128 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,1,0,0,0,1|1,0,1]=4 129 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,1,0,0,0,1|0,0,2]=4 130 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,1,0,0,0,1|0,0,2]=4 131 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,1,0,0,0,1|0,0,1]=3 132 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,1|2,0,0]=4 133 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,1|1,0,0]=3 134 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,1,0,0,0,1|1,0,1]=4 135 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,1,0,0,0,1|1,0,1]=4 136 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,1,0,0,0,1|1,0,1]=4 137 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,0,0,0,1|1,0,0]=3 138 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,1,0,0,0,1|1,0,0]=3 139 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,2,0,0,0,0|1,0,0]=3 140 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,2,0,0,0,0|1,0,1]=4 141 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,2,0,0,0,0|0,0,0]=2 143 B8R0.14 CC(C)(C)C(=O)OCCl HY-Y0643 [0,2,0,0,0,0|0,0,2]=4 144 B6R1.2 CC1=CNN=C1 HY-B0876A [1,0,0,1,0,0|2,0,0]=4 145 B6R1.2 O=C1C=CCC1 HY-W010643 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.2 O=C1CCOC1 HY-33900 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,1|2,0,0]=4 148 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [0,0,0,1,0,1|2,0,0]=4 149 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [0,0,0,1,0,1|2,0,0]=4 150 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,0,0,1,0,1|2,0,0]=4 151 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,1,0,1|2,0,0]=4 152 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,1|2,0,0]=4 153 B8R1.18 CN1CC(=O)NC1=O HY-113382 [0,0,0,1,0,1|2,0,0]=4 154 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,1,0,1,0,0|2,0,0]=4 156 B8R1.38 COC(=O)C1CNC1 HY-33615 [0,1,0,1,0,0|0,0,2]=4 157 B8R1.39 COC(=O)C1(N)CC1 HY-W008219 [0,1,0,1,0,0|0,0,2]=4 158 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,1,0,1,0,0|1,0,1]=4 160 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,0,0,0,0,2|1,0,0]=3 161 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,0,0,0,0,2|2,0,0]=4