0 B5R0.1 CC(C)=CC=O HY-34409 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 CC(C)=CCO HY-W013035 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(N)CC#N HY-W018936 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(O)CCO HY-77490A [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CN(C)CC=O HY-100061A [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C[C@@H](O)CCO HY-77490 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(O)CN HY-W015969 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(O)CO HY-Y0921 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C[C@@H](N)CO HY-W010646 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 C[C@@H](O)CN HY-W002295 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@@H](O)CO HY-Z0031 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.2 C=CCCN HY-W019321 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 O=COO[K] HY-Y1220D [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 O=COO[K] HY-Y1220J [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 O=COO[Na] HY-ER013C [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 O=COO[Na] HY-W251598B [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 O=COO[Na] HY-W251598C [1,0,0,0,0,0|2,0,0]=3 26 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.2 CC(C)CB(O)O HY-W000978 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,1,0,0,0,0|1,0,0]=2 29 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.2 CC(C)SC(=N)N HY-101304 [0,1,0,0,0,0|1,1,0]=3 32 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.2 CC(O)CC(=O)O HY-113378 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,1,0,0,0,0|2,0,0]=3 37 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|3,0,0]=4 41 B6R0.3 CC(C)[C@H](N)CO HY-30167A [0,1,0,0,0,0|1,0,2]=4 42 B6R0.4 CC(C)CCCO HY-W007511 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [0,1,0,0,0,0|2,1,0]=4 44 B6R0.5 CC(C)(C)CCO HY-W012977 [0,1,0,0,0,0|1,0,2]=4 45 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|1,0,0]=3 46 B3R0.1 CNOC HY-41074 [2,0,0,0,0,0|1,0,1]=4 47 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|1,0,0]=3 48 B3R0.2 CB(O)O HY-34449 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|1,0,1]=4 50 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|1,0,1]=4 51 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|1,0,1]=4 54 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,1]=3 55 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,0]=3 59 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,0,0]=2 63 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.4 CC(C)(N)CO HY-W013027 [1,1,0,0,0,0|0,0,2]=4 66 B5R0.4 CC(C)(N)CO HY-W013027A [1,1,0,0,0,0|0,0,2]=4 67 B5R0.4 CC(C)(O)CN HY-33948 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.4 CO[Si](C)(C)C HY-104035E [1,1,0,0,0,0|0,1,1]=4 69 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,1,0,0,0,0|0,0,2]=4 70 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,1,0,0,0,0|1,0,1]=4 72 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|1,0,0]=3 78 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|1,0,0]=3 79 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|1,0,0]=3 82 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|1,0,0]=3 84 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.5 NC(=O)C(Br)Br HY-133665 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.5 O=C(O)C(O)O HY-W019724 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.2 CC\C=C\C=O HY-W111375 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|1,0,0]=3 94 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,2,0,0,0,0|0,0,0]=2 95 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,2,0,0,0,0|1,0,0]=3 104 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,2,0,0,0,0|1,0,0]=3 111 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,2,0,0,0,0|1,0,0]=3 113 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,2,0,0,0,0|2,0,0]=4 116 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,2,0,0,0,0|2,0,0]=4 117 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,2,0,0,0,0|2,0,0]=4 118 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,2,0,0,0,0|2,0,0]=4 121 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,2,0,0,0,0|1,0,0]=3 123 B7R0.8 CC(C)(C)OCCN HY-W154207 [0,2,0,0,0,0|1,0,1]=4 124 B5R1.3 BrCC1CC1 HY-Y1100 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,1,0,0|0,0,1]=3 128 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|0,0,0]=2 129 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 CC1CCOCO1 HY-W111914 [0,1,0,1,0,0|0,0,2]=4 132 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,1,0,1,0,0|1,0,0]=3