0 B4R0.1 C=CC(=O)O HY-W243303A [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=CC(=O)O HY-W243303C [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=CC(=O)O HY-W243303D [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=CC(=O)O HY-W243303E [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=CC(=O)O HY-W243303O [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=CC(N)=O HY-W115727 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C=CC(N)=O HY-W115727A [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C=CC(N)=O HY-W115727B [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(=O)C=O HY-W020014 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 CC(=O)CO HY-Y1366 [0,0,0,0,0,0|1,0,1]=2 10 B4R0.1 CC(=O)NBr HY-131899 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(=O)O[K] HY-Y0319B [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CC(C)=NO HY-W008840 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CC(O)CN HY-W015969 [0,0,0,0,0,0|0,0,4]=4 16 B4R0.1 CC(O)CO HY-Y0921 [0,0,0,0,0,0|1,0,3]=4 17 B4R0.1 CC[C@@H](C)O HY-W087952 [0,0,0,0,0,0|1,0,3]=4 18 B4R0.1 CNC(=N)N HY-W005028 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 COC(N)=O HY-Y1401 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 C[C@@H](N)CO HY-W010646 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C[C@@H](O)CN HY-W002295 [0,0,0,0,0,0|0,0,4]=4 22 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,0,0,0,0,0|1,0,3]=4 23 B4R0.1 N=C(N)NN HY-B1041 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 N=C(N)NN HY-W020772 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 NC(=O)CBr HY-W007330 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 NC(=O)CCl HY-W010629 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 NC(=O)CI HY-34477 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 NC(=O)NO HY-B0313R [0,0,0,0,0,0|3,0,0]=3 30 B4R0.1 NCC(=O)O HY-Y0966 [0,0,0,0,0,0|1,0,2]=3 31 B4R0.1 NCC(=O)O HY-Y0966R [0,0,0,0,0,0|1,0,2]=3 32 B4R0.1 NCC(N)=O HY-Y1123 [0,0,0,0,0,0|1,0,2]=3 33 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,0,0,0,0,0|1,0,2]=3 34 B4R0.1 NNC(N)=O HY-Y0470 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 NNC(N)=S HY-Y0032 [0,0,0,0,0,0|2,1,1]=4 36 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,0,0,0,0,0|1,0,2]=3 37 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,0,0,0,0,0|1,0,2]=3 38 B4R0.1 O=C(O)CO HY-W015967 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 O=C(O)[Ba]O HY-Y0827 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.1 O=C(O)[Ca]O HY-W243408C [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 O=C([Zn])OO HY-B1818 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 O=CC(=O)O HY-79494 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 O=C[Pb](=O)O HY-Y1877 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 O=P(=O)OO HY-B2243 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.1 O=P(=O)OO HY-B2243A [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 O=P(=O)OO HY-B2243B [0,0,0,0,0,0|4,0,0]=4 47 B4R0.1 O=P(=O)OO HY-B2243D [0,0,0,0,0,0|4,0,0]=4 48 B4R0.1 O=P(=O)OO HY-W094497 [0,0,0,0,0,0|4,0,0]=4 49 B4R0.1 O=P(=O)OO HY-Y0332B [0,0,0,0,0,0|4,0,0]=4 50 B4R0.1 O=P(=O)OO HY-Y0332K [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 O=S=S(=O)=O HY-108775A [0,0,0,0,0,0|4,0,0]=4 52 B4R0.1 O=[13C](O)O[Na] HY-W251598S [0,0,0,0,0,0|3,0,0]=3 53 B4R0.1 O=[N+]([O-])CBr HY-131120 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [0,0,0,0,0,0|3,1,0]=4 55 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,0,0,0,0,0|1,0,2]=3 56 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [0,0,0,0,0,0|3,0,0]=3 57 B3R0.1 C(=O)ON HY-Y0488A [1,0,0,0,0,0|1,0,1]=3 58 B3R0.1 CNNC HY-W460407 [1,0,0,0,0,0|3,0,0]=4 59 B3R0.1 CNOC HY-41074 [1,0,0,0,0,0|3,0,0]=4 60 B3R0.1 N#CS[Na] HY-23119 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.1 O=[13CH]CO HY-146995S [1,0,0,0,0,0|1,0,1]=3 62 B3R0.2 CB(O)O HY-34449 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.2 CC(=O)O HY-13443A [1,0,0,0,0,0|1,0,0]=2 64 B3R0.2 CC(=O)O HY-75153 [1,0,0,0,0,0|1,0,0]=2 65 B3R0.2 CC(=O)O HY-P0052A [1,0,0,0,0,0|1,0,0]=2 66 B3R0.2 CC(=O)O HY-W094353 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.2 CC(=O)O HY-Y0849C [1,0,0,0,0,0|1,0,0]=2 68 B3R0.2 CC(C)[O-] HY-133023 [1,0,0,0,0,0|0,0,3]=4 69 B3R0.2 CC(N)=O HY-Y0946 [1,0,0,0,0,0|0,0,1]=2 70 B3R0.2 CC(N)=S HY-Y0698 [1,0,0,0,0,0|0,1,1]=3 71 B3R0.2 CN(C)C HY-Y0504 [1,0,0,0,0,0|2,0,1]=4 72 B3R0.2 CN(C)C HY-Y0504R [1,0,0,0,0,0|2,0,1]=4 73 B3R0.2 CS(C)=O HY-Y0320R [1,0,0,0,0,0|1,0,1]=3 74 B3R0.2 C[13C](=O)O HY-W772341 [1,0,0,0,0,0|1,0,0]=2 75 B3R0.2 C[Cr](C)C HY-D1163 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.2 N=C(N)N HY-B0178A [1,0,0,0,0,0|2,0,1]=4 77 B3R0.2 N=C(N)N HY-D0841 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.2 NC(N)=O HY-Y0271 [1,0,0,0,0,0|1,0,1]=3 79 B3R0.2 NC(N)=O HY-Y0271R [1,0,0,0,0,0|1,0,1]=3 80 B3R0.2 N[13C](N)=O HY-118877 [1,0,0,0,0,0|1,0,1]=3 81 B3R0.2 O=[13C]([O-])O HY-Y0287AS [1,0,0,0,0,0|2,0,0]=3 82 B3R0.2 O=[N+]([O-])[Ag] HY-W034067 [1,0,0,0,0,0|3,0,0]=4 83 B3R0.2 O=[Si]([O-])[O-] HY-B2205 [1,0,0,0,0,0|2,1,0]=4 84 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [1,0,0,0,0,0|1,0,1]=3 86 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 C#CCC(=O)O HY-W004784 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.1 C=CCC(=O)O HY-W068697 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.1 CC(=O)CCO HY-W051287 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.1 CC(=O)NCO HY-W024564 [0,1,0,0,0,0|1,0,1]=3 91 B5R0.1 CC(C)=CC=O HY-34409 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.1 CC(C)=CCO HY-W013035 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 CC(N)CC#N HY-W018936 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.1 CCCC(N)=O HY-W088319 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.1 CCOC(N)=O HY-B1207R [0,1,0,0,0,0|2,0,1]=4 97 B5R0.1 CNCC(=O)O HY-101037 [0,1,0,0,0,0|1,0,2]=4 98 B5R0.1 CNCC(=O)O HY-101037R [0,1,0,0,0,0|1,0,2]=4 99 B5R0.1 COCC(=O)O HY-Y1009 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.1 NCCC(=O)O HY-N0230 [0,1,0,0,0,0|1,0,2]=4 102 B5R0.1 NOCC(=O)O HY-107994 [0,1,0,0,0,0|1,0,2]=4 103 B5R0.3 CCC(=O)CO HY-W005327 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,1,0,0,0,0|2,0,0]=3 105 B5R0.3 CCC(C)C=O HY-W020678 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,1,0,0,0,0|2,0,0]=3 107 B5R0.3 CNC(=S)NC HY-W027951 [0,1,0,0,0,0|2,1,0]=4 108 B5R0.3 COC(=O)CN HY-Y1789 [0,1,0,0,0,0|0,0,2]=3 109 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,1,0,0,0,0|2,0,0]=3 110 B5R0.3 O=C(CI)O[Na] HY-D0849 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.3 O=C(CO)CO HY-Y0335 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.3 O=C(CO)O[Na] HY-W088011B [0,1,0,0,0,0|2,0,0]=3 113 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.4 COS(C)(=O)=O HY-W004702 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.4 COS(C)(=O)=O HY-W004702R [0,1,0,0,0,0|3,0,0]=4 116 B5R0.4 N#CC(Cl)(Cl)Br HY-133643 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.4 [2HH-][B+3]([2HH-])([2HH-])[C-]#N HY-Y0534S [0,1,0,0,0,0|3,0,0]=4 118 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,1,0,0,0,0|1,0,1]=3 120 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,1,0,0,0,0|1,0,1]=3 121 B5R0.5 CC(=O)N(C)C HY-W042416 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.5 CC(N)C(=O)O HY-N2362 [0,1,0,0,0,0|1,0,2]=4 124 B5R0.5 CC(O)C(=O)O HY-B1530 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.5 CC(O)C(=O)O HY-B2227 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.5 CC(O)C(=O)O HY-B2227D [0,1,0,0,0,0|2,0,1]=4 127 B5R0.5 CC(O)C(=O)O HY-B2227R [0,1,0,0,0,0|2,0,1]=4 128 B5R0.5 CC(O)C(=O)O HY-W250313 [0,1,0,0,0,0|2,0,1]=4 129 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,1,0,0,0,0|2,0,1]=4 130 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,1,0,0,0,0|2,0,1]=4 131 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,1,0,0,0,0|1,0,2]=4 132 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,1,0,0,0,0|1,0,2]=4 133 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,1,0,0,0,0|2,0,1]=4 139 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.5 O=C(O)C(O)O HY-W019724 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,1,0,0,0,0|3,0,0]=4 143 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,1,0,0,0,0|2,0,0]=3 144 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,1,0,0|2,0,0]=3 145 B5R1.2 O=C1COC1 HY-76440 [0,0,0,1,0,0|1,0,1]=3 146 B2R0.1 C=CCl HY-W687022A [2,0,0,0,0,0|1,0,1]=4 147 B2R0.1 C=CO HY-Y0850 [2,0,0,0,0,0|0,0,2]=4 148 B2R0.1 C=CO HY-Y0850E [2,0,0,0,0,0|0,0,2]=4 149 B2R0.1 C=CO HY-Y0850H [2,0,0,0,0,0|0,0,2]=4 150 B2R0.1 C=CO HY-Y0850I [2,0,0,0,0,0|0,0,2]=4 151 B2R0.1 C=CO HY-Y0850J [2,0,0,0,0,0|0,0,2]=4 152 B2R0.1 C=CO HY-Y0850K [2,0,0,0,0,0|0,0,2]=4 153 B2R0.1 C=CO HY-Y0850N [2,0,0,0,0,0|0,0,2]=4 154 B2R0.1 C=CO HY-Y0850P [2,0,0,0,0,0|0,0,2]=4 155 B2R0.1 C=CO HY-Y0850U6 [2,0,0,0,0,0|0,0,2]=4 156 B2R0.1 CON HY-Y0958 [2,0,0,0,0,0|1,0,1]=4 157 B2R0.1 C[Cu]C HY-Y1102A [2,0,0,0,0,0|1,0,1]=4 158 B2R0.1 C[Pd]C HY-W002072 [2,0,0,0,0,0|1,0,1]=4 159 B2R0.1 C[Zn]C HY-B1817 [2,0,0,0,0,0|1,0,1]=4 160 B2R0.1 C[Zn]C HY-B1817A [2,0,0,0,0,0|1,0,1]=4 161 B2R0.1 NC=O HY-Y0842 [2,0,0,0,0,0|0,0,1]=3 162 B2R0.1 NC=O HY-Y0842B [2,0,0,0,0,0|0,0,1]=3 163 B2R0.1 O=[Ti]=O HY-W051271 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.2 C#CCCO HY-W001947 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.2 O=CCCO HY-N8461 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.2 O=COO[K] HY-Y1220D [1,1,0,0,0,0|2,0,0]=4 167 B4R0.2 O=COO[K] HY-Y1220J [1,1,0,0,0,0|2,0,0]=4 168 B4R0.2 O=COO[Na] HY-ER013C [1,1,0,0,0,0|2,0,0]=4 169 B4R0.2 O=COO[Na] HY-W251598B [1,1,0,0,0,0|2,0,0]=4 170 B4R0.2 O=COO[Na] HY-W251598C [1,1,0,0,0,0|2,0,0]=4 171 B4R0.3 CN(C)(C)=O HY-116084 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.3 CS(C)(=O)=O HY-Y1314 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.3 CS(N)(=O)=O HY-Y0995 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.1 C=CCC(=O)OC HY-W105369 [0,2,0,0,0,0|1,0,1]=4 175 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,2,0,0,0,0|2,0,0]=4 176 B6R0.1 CCOC(=O)CN HY-76204 [0,2,0,0,0,0|0,0,2]=4 177 B6R0.1 COC(=O)CCN HY-W007648 [0,2,0,0,0,0|0,0,2]=4 178 B6R0.1 COC(=O)CCO HY-42569 [0,2,0,0,0,0|1,0,1]=4 179 B6R0.1 COC(=O)OCCl HY-43384 [0,2,0,0,0,0|1,0,1]=4 180 B6R0.1 N#CCC(=O)NN HY-B0994 [0,2,0,0,0,0|1,0,0]=3 181 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,2,0,0,0,0|2,0,0]=4 182 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,2,0,0,0,0|1,0,1]=4 183 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,2,0,0,0,0|1,0,1]=4 184 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,2,0,0,0,0|0,0,2]=4 185 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,2,0,0,0,0|2,0,0]=4 186 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,2,0,0,0,0|2,0,0]=4 187 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 COC(=O)C(C)N HY-W010324 [0,2,0,0,0,0|0,0,2]=4 191 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,2,0,0,0,0|0,0,2]=4 192 B6R0.3 CON(C)C(C)=O HY-W001095 [0,2,0,0,0,0|2,0,0]=4 193 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,2,0,0,0,0|2,0,0]=4 194 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,2,0,0,0,0|2,0,0]=4 195 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,2,0,0,0,0|2,0,0]=4 196 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,2,0,0,0,0|2,0,0]=4 197 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,2,0,0,0,0|1,0,1]=4 200 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,2,0,0,0,0|2,0,0]=4 201 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,2,0,0,0,0|0,0,2]=4 203 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,2,0,0,0,0|2,0,0]=4 204 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,2,0,0,0,0|2,0,0]=4 205 B6R1.2 O=C1C=CCC1 HY-W010643 [0,1,0,1,0,0|1,0,1]=4 206 B6R1.2 O=C1C=CCO1 HY-W008270 [0,1,0,1,0,0|1,0,1]=4 207 B6R1.2 O=C1CCOC1 HY-33900 [0,1,0,1,0,0|1,0,1]=4 208 B6R1.2 O=C1CCSC1 HY-W010594 [0,1,0,1,0,0|1,0,1]=4 209 B6R1.2 O=C1NCCN1 HY-W031536 [0,1,0,1,0,0|2,0,0]=4