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|2,0,0]=2 9 B4R0.1 CC(=O)CO HY-Y1366 [0,0,0,0,0,0|2,0,0]=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|1,0,0]=1 13 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,0,0,0,0,0|1,0,0]=1 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|2,0,2]=4 16 B4R0.1 CC(O)CO HY-Y0921 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 CC[C@@H](C)O HY-W087952 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 CNC(=N)N HY-W005028 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 COC(N)=O HY-Y1401 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 C[C@@H](N)CO HY-W010646 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C[C@@H](O)CN HY-W002295 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 N=C(N)NN HY-B1041 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 N=C(N)NN HY-W020772 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 NC(=O)CBr HY-W007330 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 NC(=O)CCl HY-W010629 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 NC(=O)CI HY-34477 [0,0,0,0,0,0|3,0,0]=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|3,0,0]=3 31 B4R0.1 NCC(=O)O HY-Y0966R [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 NCC(N)=O HY-Y1123 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 NNC(N)=O HY-Y0470 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 NNC(N)=S HY-Y0032 [0,0,0,0,0,0|3,1,0]=4 36 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 O=C(O)CO HY-W015967 [0,0,0,0,0,0|3,0,0]=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|2,0,0]=2 42 B4R0.1 O=CC(=O)O HY-79494 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.1 O=C[Pb](=O)O HY-Y1877 [0,0,0,0,0,0|4,0,0]=4 44 B4R0.1 O=P(=O)OO HY-B2243 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 O=P(=O)OO HY-B2243A [0,0,0,0,0,0|3,0,0]=3 46 B4R0.1 O=P(=O)OO HY-B2243B [0,0,0,0,0,0|3,0,0]=3 47 B4R0.1 O=P(=O)OO HY-B2243D [0,0,0,0,0,0|3,0,0]=3 48 B4R0.1 O=P(=O)OO HY-W094497 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 O=P(=O)OO HY-Y0332B [0,0,0,0,0,0|3,0,0]=3 50 B4R0.1 O=P(=O)OO HY-Y0332K [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 O=S=S(=O)=O HY-108775A [0,0,0,0,0,0|3,1,0]=4 52 B4R0.1 O=[13C](O)O[Na] HY-W251598S [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 O=[N+]([O-])CBr HY-131120 [0,0,0,0,0,0|4,0,0]=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|3,0,0]=3 56 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [0,0,0,0,0,0|2,0,0]=2 57 B4R0.1 [2H]ON([2H])[2H] HY-Y0882S1 [0,0,0,0,0,0|4,0,0]=4 58 B3R0.1 C(=O)ON HY-Y0488A [1,0,0,0,0,0|1,0,0]=2 59 B3R0.1 CNNC HY-W460407 [1,0,0,0,0,0|2,0,0]=3 60 B3R0.1 CNOC HY-41074 [1,0,0,0,0,0|1,0,0]=2 61 B3R0.1 O=[13CH]CO HY-146995S [1,0,0,0,0,0|2,0,0]=3 62 B3R0.1 OOOP HY-Y1939A [1,0,0,0,0,0|2,0,1]=4 63 B3R0.2 CB(O)O HY-34449 [1,0,0,0,0,0|1,0,1]=3 64 B3R0.2 CC(=O)O HY-13443A [1,0,0,0,0,0|0,0,0]=1 65 B3R0.2 CC(=O)O HY-75153 [1,0,0,0,0,0|0,0,0]=1 66 B3R0.2 CC(=O)O HY-P0052A [1,0,0,0,0,0|0,0,0]=1 67 B3R0.2 CC(=O)O HY-W094353 [1,0,0,0,0,0|0,0,0]=1 68 B3R0.2 CC(=O)O HY-Y0849C [1,0,0,0,0,0|0,0,0]=1 69 B3R0.2 CC(C)[O-] HY-133023 [1,0,0,0,0,0|0,0,2]=3 70 B3R0.2 CC(N)=O HY-Y0946 [1,0,0,0,0,0|1,0,0]=2 71 B3R0.2 CC(N)=S HY-Y0698 [1,0,0,0,0,0|1,1,0]=3 72 B3R0.2 CN(C)C HY-Y0504 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.2 CN(C)C HY-Y0504R [1,0,0,0,0,0|2,0,0]=3 74 B3R0.2 CS(C)=O HY-Y0320R [1,0,0,0,0,0|1,0,0]=2 75 B3R0.2 C[13C](=O)O HY-W772341 [1,0,0,0,0,0|0,0,0]=1 76 B3R0.2 C[Cr](C)C HY-D1163 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.2 N=C(N)N HY-B0178A [1,0,0,0,0,0|3,0,0]=4 78 B3R0.2 N=C(N)N HY-D0841 [1,0,0,0,0,0|3,0,0]=4 79 B3R0.2 NC(N)=O HY-Y0271 [1,0,0,0,0,0|2,0,0]=3 80 B3R0.2 NC(N)=O HY-Y0271R [1,0,0,0,0,0|2,0,0]=3 81 B3R0.2 N[13C](N)=O HY-118877 [1,0,0,0,0,0|2,0,0]=3 82 B3R0.2 O=[13C]([O-])O HY-Y0287AS [1,0,0,0,0,0|1,0,0]=2 83 B3R0.2 O=[N+]([O-])[Ag] HY-W034067 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.2 O=[Si]([O-])[O-] HY-B2205 [1,0,0,0,0,0|1,1,1]=4 85 B3R0.2 O[AlH3](O)O HY-B1521 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [1,0,0,0,0,0|2,0,0]=3 88 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.1 C#CCC(=O)O HY-W004784 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 C=CCC(=O)O HY-W068697 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 CC(=O)CCO HY-W051287 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.1 CC(=O)NCO HY-W024564 [0,1,0,0,0,0|1,0,0]=2 93 B5R0.1 CC(C)=CC=O HY-34409 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 CC(C)=CCO HY-W013035 [0,1,0,0,0,0|2,0,0]=3 95 B5R0.1 CC(O)CCO HY-77490A [0,1,0,0,0,0|1,0,2]=4 96 B5R0.1 CCCC(N)=O HY-W088319 [0,1,0,0,0,0|2,0,0]=3 97 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.1 CCOC(N)=O HY-B1207R [0,1,0,0,0,0|1,0,0]=2 99 B5R0.1 CCSC(=N)N HY-101252 [0,1,0,0,0,0|2,1,0]=4 100 B5R0.1 CNCC(=O)O HY-101037 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.1 CNCC(=O)O HY-101037R [0,1,0,0,0,0|2,0,0]=3 102 B5R0.1 COCC(=O)O HY-Y1009 [0,1,0,0,0,0|1,0,0]=2 103 B5R0.1 C[C@@H](O)CCO HY-77490 [0,1,0,0,0,0|1,0,2]=4 104 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.1 NCCC(=O)O HY-N0230 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.1 NCCS(=O)O HY-100803 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.1 NOCC(=O)O HY-107994 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.1 O=P(=O)OO[Na] HY-Y1329 [0,1,0,0,0,0|3,0,0]=4 109 B5R0.3 CCC(=O)CO HY-W005327 [0,1,0,0,0,0|1,0,0]=2 110 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,1,0,0,0,0|1,0,0]=2 111 B5R0.3 CCC(C)C=O HY-W020678 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,1,0,0,0,0|1,0,0]=2 113 B5R0.3 CNC(=S)NC HY-W027951 [0,1,0,0,0,0|1,1,0]=3 114 B5R0.3 COC(=O)CN HY-Y1789 [0,1,0,0,0,0|0,0,0]=1 115 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,1,0,0,0,0|1,0,0]=2 116 B5R0.3 O=C(CI)O[Na] HY-D0849 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.3 O=C(CO)CO HY-Y0335 [0,1,0,0,0,0|2,0,0]=3 118 B5R0.3 O=C(CO)O[Na] HY-W088011B [0,1,0,0,0,0|1,0,0]=2 119 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,1,0,0,0,0|1,0,0]=2 120 B5R0.4 CC[N+](C)(C)C HY-W101257 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.4 COS(C)(=O)=O HY-W004702 [0,1,0,0,0,0|1,0,0]=2 122 B5R0.4 COS(C)(=O)=O HY-W004702R [0,1,0,0,0,0|1,0,0]=2 123 B5R0.4 CO[Si](C)(C)C HY-104035E [0,1,0,0,0,0|1,1,0]=3 124 B5R0.4 O=P(O)([CaH])OO HY-B2242 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.4 O=S(=O)([Na])O[Na] HY-Y0651 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.4 O=S(O)(=[Ba])OO HY-B0560B [0,1,0,0,0,0|3,0,0]=4 127 B5R0.4 O=S(O)(=[Ca])OO HY-W019901B [0,1,0,0,0,0|3,0,0]=4 128 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.4 O=S(O)(=[Mg])OO HY-Y1267D [0,1,0,0,0,0|3,0,0]=4 130 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,1,0,0,0,0|2,0,0]=3 133 B5R0.5 CC(=O)N(C)C HY-W042416 [0,1,0,0,0,0|1,0,0]=2 134 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.5 CC(N)C(=O)O HY-N2362 [0,1,0,0,0,0|2,0,0]=3 136 B5R0.5 CC(O)C(=O)O HY-B1530 [0,1,0,0,0,0|2,0,0]=3 137 B5R0.5 CC(O)C(=O)O HY-B2227 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.5 CC(O)C(=O)O HY-B2227D [0,1,0,0,0,0|2,0,0]=3 139 B5R0.5 CC(O)C(=O)O HY-B2227R [0,1,0,0,0,0|2,0,0]=3 140 B5R0.5 CC(O)C(=O)O HY-W250313 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,1,0,0,0,0|2,0,0]=3 142 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,1,0,0,0,0|2,0,0]=3 143 B5R0.5 CC(O)C(C)O HY-128387 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.5 CC(O)C(C)O HY-128387R [0,1,0,0,0,0|1,0,2]=4 145 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,1,0,0,0,0|2,0,0]=3 148 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,1,0,0,0,0|3,0,0]=4 150 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,1,0,0,0,0|3,0,0]=4 152 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,1,0,0,0,0|3,0,0]=4 153 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,1,0,0,0,0|3,0,0]=4 154 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,1,0,0,0,0|3,0,0]=4 155 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.5 O=C(O)C(O)O HY-W019724 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,1,0,0,0,0|1,0,0]=2 159 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,1,0,0|0,0,0]=1 160 B5R1.2 O=C1COC1 HY-76440 [0,0,0,1,0,0|2,0,0]=3 161 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,1,0,0|1,0,2]=4 162 B2R0.1 C=CCl HY-W687022A [2,0,0,0,0,0|1,0,1]=4 163 B2R0.1 C=CO HY-Y0850 [2,0,0,0,0,0|0,0,1]=3 164 B2R0.1 C=CO HY-Y0850E [2,0,0,0,0,0|0,0,1]=3 165 B2R0.1 C=CO HY-Y0850H [2,0,0,0,0,0|0,0,1]=3 166 B2R0.1 C=CO HY-Y0850I [2,0,0,0,0,0|0,0,1]=3 167 B2R0.1 C=CO HY-Y0850J [2,0,0,0,0,0|0,0,1]=3 168 B2R0.1 C=CO HY-Y0850K [2,0,0,0,0,0|0,0,1]=3 169 B2R0.1 C=CO HY-Y0850N [2,0,0,0,0,0|0,0,1]=3 170 B2R0.1 C=CO HY-Y0850P [2,0,0,0,0,0|0,0,1]=3 171 B2R0.1 C=CO HY-Y0850U6 [2,0,0,0,0,0|0,0,1]=3 172 B2R0.1 CON HY-Y0958 [2,0,0,0,0,0|1,0,0]=3 173 B2R0.1 C[Cu]C HY-Y1102A [2,0,0,0,0,0|1,0,0]=3 174 B2R0.1 C[Pd]C HY-W002072 [2,0,0,0,0,0|1,0,0]=3 175 B2R0.1 C[Zn]C HY-B1817 [2,0,0,0,0,0|1,0,0]=3 176 B2R0.1 C[Zn]C HY-B1817A [2,0,0,0,0,0|1,0,0]=3 177 B2R0.1 NC=O HY-Y0842 [2,0,0,0,0,0|1,0,0]=3 178 B2R0.1 NC=O HY-Y0842B [2,0,0,0,0,0|1,0,0]=3 179 B2R0.1 O=[Ti]=O HY-W051271 [2,0,0,0,0,0|1,0,1]=4 180 B2R0.1 O[Ca]O HY-B2217 [2,0,0,0,0,0|1,0,1]=4 181 B2R0.1 O[Ca]O HY-B2217D [2,0,0,0,0,0|1,0,1]=4 182 B2R0.1 O[Mg]O HY-B2218D [2,0,0,0,0,0|1,0,1]=4 183 B4R0.2 C=CCCN HY-W019321 [1,1,0,0,0,0|1,0,1]=4 184 B4R0.2 C=CCSC HY-128447 [1,1,0,0,0,0|0,1,1]=4 185 B4R0.2 CNCCO HY-Y1783 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.2 COCCO HY-139415 [1,1,0,0,0,0|0,0,1]=3 187 B4R0.2 CSSSC HY-128454 [1,1,0,0,0,0|1,1,0]=4 188 B4R0.2 O=CCCO HY-N8461 [1,1,0,0,0,0|1,0,0]=3 189 B4R0.2 O=COO[K] HY-Y1220D [1,1,0,0,0,0|1,0,0]=3 190 B4R0.2 O=COO[K] HY-Y1220J [1,1,0,0,0,0|1,0,0]=3 191 B4R0.2 O=COO[Na] HY-ER013C [1,1,0,0,0,0|1,0,0]=3 192 B4R0.2 O=COO[Na] HY-W251598B [1,1,0,0,0,0|1,0,0]=3 193 B4R0.2 O=COO[Na] HY-W251598C [1,1,0,0,0,0|1,0,0]=3 194 B4R0.3 CN(C)(C)=O HY-116084 [1,1,0,0,0,0|1,0,0]=3 195 B4R0.3 CS(C)(=O)=O HY-Y1314 [1,1,0,0,0,0|1,0,0]=3 196 B4R0.3 CS(N)(=O)=O HY-Y0995 [1,1,0,0,0,0|1,0,1]=4 197 B4R0.3 C[N+](C)(C)C HY-W014861 [1,1,0,0,0,0|2,0,0]=4 198 B4R0.3 C[N+](C)(C)C HY-W040184 [1,1,0,0,0,0|2,0,0]=4 199 B4R0.3 C[N+](C)(C)C HY-W095635 [1,1,0,0,0,0|2,0,0]=4 200 B4R0.3 C[N+](C)(C)C HY-W127672 [1,1,0,0,0,0|2,0,0]=4 201 B4R0.3 C[N+](C)(C)C HY-W130431 [1,1,0,0,0,0|2,0,0]=4 202 B4R0.3 C[N+](C)(C)C HY-Y0658 [1,1,0,0,0,0|2,0,0]=4 203 B4R0.3 C[N+](C)(C)[O-] HY-108915 [1,1,0,0,0,0|1,0,1]=4 204 B4R0.3 C[Ti](C)(Cl)Cl HY-106782 [1,1,0,0,0,0|2,0,0]=4 205 B4R0.3 NS(=O)(=O)O HY-W040155 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.1 C=CCC(=O)OC HY-W105369 [0,2,0,0,0,0|0,0,0]=2 207 B6R0.1 CCCC(=O)O[Na] HY-B0350A [0,2,0,0,0,0|1,0,0]=3 208 B6R0.1 CCOC(=O)CN HY-76204 [0,2,0,0,0,0|0,0,0]=2 209 B6R0.1 COC(=O)CCN HY-W007648 [0,2,0,0,0,0|0,0,0]=2 210 B6R0.1 COC(=O)CCO HY-42569 [0,2,0,0,0,0|0,0,0]=2 211 B6R0.1 COC(=O)OCCl HY-43384 [0,2,0,0,0,0|0,0,0]=2 212 B6R0.1 N#CCC(=O)NN HY-B0994 [0,2,0,0,0,0|2,0,0]=4 213 B6R0.1 O=C(CCO)O[Na] HY-W095705A [0,2,0,0,0,0|1,0,0]=3 214 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,2,0,0,0,0|1,0,0]=3 215 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.2 CC(O)CC(=O)O HY-113378 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,2,0,0,0,0|2,0,0]=4 223 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,2,0,0,0,0|0,0,0]=2 227 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,2,0,0,0,0|2,0,0]=4 232 B6R0.3 CC(CO)C(=O)O HY-113126 [0,2,0,0,0,0|2,0,0]=4 233 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [0,2,0,0,0,0|1,0,0]=3 234 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,2,0,0,0,0|1,0,1]=4 235 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,2,0,0,0,0|1,0,1]=4 236 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.3 CCC(O)C(=O)O HY-113381 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.3 COC(=O)C(C)N HY-W010324 [0,2,0,0,0,0|0,0,0]=2 243 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [0,2,0,0,0,0|0,0,0]=2 244 B6R0.3 CON(C)C(C)=O HY-W001095 [0,2,0,0,0,0|0,0,0]=2 245 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [0,2,0,0,0,0|1,0,0]=3 248 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [0,2,0,0,0,0|1,0,0]=3 250 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [0,2,0,0,0,0|1,0,0]=3 251 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,2,0,0,0,0|1,0,0]=3 252 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [0,2,0,0,0,0|1,0,1]=4 253 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,2,0,0,0,0|2,0,0]=4 257 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,2,0,0,0,0|2,0,0]=4 261 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,2,0,0,0,0|2,0,0]=4 264 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,2,0,0,0,0|2,0,0]=4 267 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,2,0,0,0,0|2,0,0]=4 268 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,2,0,0,0,0|2,0,0]=4 269 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,2,0,0,0,0|2,0,0]=4 270 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,2,0,0,0,0|2,0,0]=4 271 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,2,0,0,0,0|2,0,0]=4 277 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,2,0,0,0,0|2,0,0]=4 279 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [0,2,0,0,0,0|1,0,0]=3 280 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [0,2,0,0,0,0|0,0,0]=2 283 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [0,2,0,0,0,0|1,0,0]=3 286 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.4 C=CCCC(=O)O HY-Y0624 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.4 CCCCC(N)=O HY-W144037 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.4 CCNCC(=O)O HY-W141879 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.4 CCOCC(=O)O HY-W027555 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.4 CC\C=C\C(=O)O HY-W061674 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.4 CSCCC(=O)O HY-101401 [0,2,0,0,0,0|1,1,0]=4 293 B6R0.4 C\C=C\CC(=O)O HY-W088501 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.4 NCCCC(=O)O HY-N0067 [0,2,0,0,0,0|2,0,0]=4 295 B6R0.4 NCCCC(=O)O HY-N0067R [0,2,0,0,0,0|2,0,0]=4 296 B6R0.4 NC\C=C\C(=O)O HY-100800 [0,2,0,0,0,0|2,0,0]=4 297 B6R0.5 CCOS(C)(=O)=O HY-W015854 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.9 CCN(CC)N=O HY-N7434 [0,2,0,0,0,0|2,0,0]=4 299 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,2,0,0,0,0|2,0,0]=4 301 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,2,0,0,0,0|2,0,0]=4 302 B4R1.1 C1CNC1 HY-W010628 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.2 N=C1CCCS1 HY-W015798 [0,1,0,1,0,0|1,1,0]=4 304 B6R1.2 O=C1C=CCC1 HY-W010643 [0,1,0,1,0,0|1,0,0]=3 305 B6R1.2 O=C1C=CCO1 HY-W008270 [0,1,0,1,0,0|0,0,1]=3 306 B6R1.2 O=C1CCOC1 HY-33900 [0,1,0,1,0,0|0,0,0]=2 307 B6R1.2 O=C1CCSC1 HY-W010594 [0,1,0,1,0,0|0,1,0]=3 308 B6R1.2 O=C1NCCN1 HY-W031536 [0,1,0,1,0,0|1,0,0]=3 309 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,1,0,1,0,0|0,0,2]=4 310 B6R1.2 SC1=NCCN1 HY-W010593 [0,1,0,1,0,0|1,1,0]=4 311 B6R1.3 COC[C@H]1CO1 HY-Z1630 [0,1,0,1,0,0|0,0,2]=4 312 B6R1.11 NC(=O)C1CO1 HY-119329 [0,1,0,1,0,0|1,0,0]=3 313 B6R1.11 O=C(O)C1CC1 HY-Y0001 [0,1,0,1,0,0|2,0,0]=4