0 B5R0.1 C=CCC(=O)O HY-W068697 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(=O)CCO HY-W051287 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(=O)NCO HY-W024564 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(C)=CC=O HY-34409 [0,0,0,0,0,0|0,0,0]=0 4 B5R0.1 CC(C)=CCO HY-W013035 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.1 CN(C)CC=O HY-100061A [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C=CC(=O)O HY-W243303A [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 C=CC(=O)O HY-W243303C [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C=CC(=O)O HY-W243303D [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C=CC(=O)O HY-W243303E [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C=CC(=O)O HY-W243303O [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C=CC(N)=O HY-W115727 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C=CC(N)=O HY-W115727A [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C=CC(N)=O HY-W115727B [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=O)C=O HY-W020014 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(=O)CO HY-Y1366 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 CC(=O)NBr HY-131899 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(=O)NO HY-B1235 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(=O)O[K] HY-Y0319B [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CC(=O)O[K] HY-Y0319B1 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 CC(C)=NO HY-W008840 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 O=CC(=O)O HY-79494 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 O=C[Pb](=O)O HY-Y1877 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.2 C=CCSC HY-128447 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 O=CCCO HY-N8461 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 O=COO[K] HY-Y1220D [1,0,0,0,0,0|3,0,0]=4 27 B4R0.2 O=COO[K] HY-Y1220J [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 O=COO[Na] HY-ER013C [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 O=COO[Na] HY-W251598B [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 O=COO[Na] HY-W251598C [1,0,0,0,0,0|3,0,0]=4 31 B6R0.1 C=CCC(=O)OC HY-W105369 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,1,0,0,0,0|0,0,2]=3 34 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,1,0,0,0,0|0,0,2]=3 35 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,1,0,0,0,0|0,0,2]=3 36 B6R0.2 CC(C)SC(=N)N HY-101304 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.2 CC(O)CC(=O)O HY-113378 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,1,0,0,0,0|1,0,1]=3 42 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,1,0,0,0,0|3,0,0]=4 46 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.4 O=CNCC(=O)O HY-128735 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [0,1,0,0,0,0|1,1,1]=4 58 B6R1.2 BrC1=CSC=C1 HY-59299 [0,0,0,1,0,0|1,1,1]=4 59 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.2 CC1=CNN=C1 HY-B0876A [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 CN1C=CN=C1 HY-59137 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 NC1=NOC=C1 HY-W007329 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,1,0,0|3,0,0]=4 66 B3R0.1 C(=O)ON HY-Y0488A [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 O=[13CH]CO HY-146995S [2,0,0,0,0,0|1,0,1]=4 68 B3R0.2 CC(=O)O HY-13443A [2,0,0,0,0,0|1,0,0]=3 69 B3R0.2 CC(=O)O HY-75153 [2,0,0,0,0,0|1,0,0]=3 70 B3R0.2 CC(=O)O HY-P0052A [2,0,0,0,0,0|1,0,0]=3 71 B3R0.2 CC(=O)O HY-W094353 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.2 CC(=O)O HY-Y0849C [2,0,0,0,0,0|1,0,0]=3 73 B3R0.2 CC(C)[O-] HY-133023 [2,0,0,0,0,0|0,0,2]=4 74 B3R0.2 CC(N)=O HY-Y0946 [2,0,0,0,0,0|1,0,0]=3 75 B3R0.2 CC(N)=S HY-Y0698 [2,0,0,0,0,0|1,1,0]=4 76 B3R0.2 CN(C)C HY-Y0504 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.2 CN(C)C HY-Y0504R [2,0,0,0,0,0|1,0,1]=4 78 B3R0.2 CS(C)=O HY-Y0320R [2,0,0,0,0,0|1,0,0]=3 79 B3R0.2 C[13C](=O)O HY-W772341 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.2 C[Cr](C)C HY-D1163 [2,0,0,0,0,0|1,0,1]=4 81 B3R0.2 NC(N)=O HY-Y0271 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.2 NC(N)=O HY-Y0271R [2,0,0,0,0,0|2,0,0]=4 83 B3R0.2 N[13C](N)=O HY-118877 [2,0,0,0,0,0|2,0,0]=4 84 B3R0.2 O=[13C]([O-])O HY-Y0287AS [2,0,0,0,0,0|2,0,0]=4 85 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [2,0,0,0,0,0|2,0,0]=4 87 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.3 CCC(C)C=O HY-W020678 [1,1,0,0,0,0|0,0,1]=3 89 B5R0.3 O=CC(O)CO HY-128748 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.3 O=C[C@@H](O)CO HY-W008504 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.5 C=C(C)C(N)=O HY-W020027 [1,1,0,0,0,0|0,0,1]=3 92 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,1,0,0,0,0|1,0,0]=3 94 B5R0.5 CC(=O)N(C)C HY-W042416 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 CC(N)C(=O)O HY-N2362 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 CC(O)C(=O)O HY-B1530 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.5 CC(O)C(=O)O HY-B2227 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.5 CC(O)C(=O)O HY-B2227D [1,1,0,0,0,0|1,0,1]=4 100 B5R0.5 CC(O)C(=O)O HY-B2227R [1,1,0,0,0,0|1,0,1]=4 101 B5R0.5 CC(O)C(=O)O HY-W250313 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,1,0,0,0,0|1,0,1]=4 103 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,1,0,0,0,0|1,0,1]=4 104 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,1,0,0,0,0|1,0,1]=4 106 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.5 NC(=O)C(=O)O HY-W013032 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.5 O=C(O)C(=O)O HY-W041831 [1,1,0,0,0,0|2,0,0]=4 109 B5R0.5 O=C(O)C(=O)O HY-Y0262 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.5 O=C(O)C(=O)O HY-Y0262A [1,1,0,0,0,0|2,0,0]=4 111 B5R0.5 O=C(O)C(=O)O HY-Y1297 [1,1,0,0,0,0|2,0,0]=4 112 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,1,0,0,0,0|2,0,0]=4 113 B5R0.2 CC\C=C/CO HY-W030347 [1,1,0,0,0,0|0,0,2]=4 114 B5R0.2 CC\C=C\C=O HY-W111375 [1,1,0,0,0,0|0,0,0]=2 115 B5R0.2 OC\C=C/CO HY-W027631 [1,1,0,0,0,0|0,0,2]=4 116 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [0,2,0,0,0,0|1,0,1]=4 117 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,2,0,0,0,0|0,0,2]=4 118 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,2,0,0,0,0|0,0,2]=4 119 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [0,2,0,0,0,0|1,0,1]=4 122 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,2,0,0,0,0|0,0,2]=4 124 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,2,0,0,0,0|0,0,1]=3 128 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,2,0,0,0,0|0,0,2]=4 129 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,2,0,0,0,0|0,0,2]=4 130 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,2,0,0,0,0|0,0,2]=4 131 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,2,0,0,0,0|0,0,2]=4 132 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,2,0,0,0,0|0,0,2]=4 133 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,2,0,0,0,0|2,0,0]=4 134 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,2,0,0,0,0|1,0,1]=4 137 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,2,0,0,0,0|0,0,2]=4 139 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,2,0,0,0,0|0,0,2]=4 140 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,2,0,0,0,0|2,0,0]=4 143 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,2,0,0,0,0|2,0,0]=4 144 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,2,0,0,0,0|2,0,0]=4 145 B5R1.1 C1=CNN=C1 HY-76228 [1,0,0,1,0,0|2,0,0]=4 146 B5R1.1 C1=CON=C1 HY-W010649 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.1 OCC1=CC=CS1 HY-34751 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.1 OCC1=COC=C1 HY-W007708 [0,1,0,1,0,0|0,0,2]=4 149 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,1,0,0|0,0,0]=2 150 B7R1.2 CC1=CC(N)=NN1 HY-75637 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.2 O=C1CCC(=O)N1 HY-41877 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.2 O=C1CCC(=O)O1 HY-79369 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.3 O=C1C=CCCN1 HY-W006454 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.4 CC1=CNN=C1C HY-W019334 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.4 CN1SC=CC1=O HY-W010243 [0,1,0,1,0,0|1,1,0]=4 167 B7R1.4 CN1SC=CC1=O HY-W010520 [0,1,0,1,0,0|1,1,0]=4 168 B7R1.20 O=C(O)CC1CC1 HY-W010610 [0,1,0,1,0,0|0,0,2]=4