0 B3R0.2 CB(O)O HY-34449 [0,0,0,0,0,0|3,1,0]=4 1 B3R0.2 CC(=O)O HY-13443A [0,0,0,0,0,0|2,1,0]=3 2 B3R0.2 CC(=O)O HY-75153 [0,0,0,0,0,0|2,1,0]=3 3 B3R0.2 CC(=O)O HY-P0052A [0,0,0,0,0,0|2,1,0]=3 4 B3R0.2 CC(=O)O HY-W094353 [0,0,0,0,0,0|2,1,0]=3 5 B3R0.2 CC(=O)O HY-Y0849C [0,0,0,0,0,0|2,1,0]=3 6 B3R0.2 CC(C)[O-] HY-133023 [0,0,0,0,0,0|2,1,1]=4 7 B3R0.2 CC(N)=O HY-Y0946 [0,0,0,0,0,0|1,1,0]=2 8 B3R0.2 CC(N)=S HY-Y0698 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.2 CN(C)C HY-Y0504 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 CN(C)C HY-Y0504R [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 CS(C)=O HY-Y0320R [0,0,0,0,0,0|3,1,0]=4 12 B3R0.2 C[13C](=O)O HY-W772341 [0,0,0,0,0,0|2,1,0]=3 13 B3R0.2 C[Cr](C)C HY-D1163 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 N=C(N)N HY-B0178A [0,0,0,0,0,0|1,0,0]=1 15 B3R0.2 N=C(N)N HY-D0841 [0,0,0,0,0,0|1,0,0]=1 16 B3R0.2 NC(N)=O HY-Y0271 [0,0,0,0,0,0|0,1,0]=1 17 B3R0.2 NC(N)=O HY-Y0271R [0,0,0,0,0,0|0,1,0]=1 18 B3R0.2 N[13C](N)=O HY-118877 [0,0,0,0,0,0|0,1,0]=1 19 B3R0.2 O=[13C]([O-])O HY-Y0287AS [0,0,0,0,0,0|2,1,0]=3 20 B3R0.2 O=[N+]([O-])[Ag] HY-W034067 [0,0,0,0,0,0|3,1,0]=4 21 B3R0.2 O=[Si]([O-])[O-] HY-B2205 [0,0,0,0,0,0|2,2,0]=4 22 B3R0.2 O[AlH3](O)O HY-B1521 [0,0,0,0,0,0|3,1,0]=4 23 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [0,0,0,0,0,0|0,1,0]=1 25 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [0,0,0,0,0,0|0,1,0]=1 26 B2R0.1 C=CCl HY-W687022A [1,0,0,0,0,0|2,0,0]=3 27 B2R0.1 C=CO HY-Y0850 [1,0,0,0,0,0|1,1,0]=3 28 B2R0.1 C=CO HY-Y0850E [1,0,0,0,0,0|1,1,0]=3 29 B2R0.1 C=CO HY-Y0850H [1,0,0,0,0,0|1,1,0]=3 30 B2R0.1 C=CO HY-Y0850I [1,0,0,0,0,0|1,1,0]=3 31 B2R0.1 C=CO HY-Y0850J [1,0,0,0,0,0|1,1,0]=3 32 B2R0.1 C=CO HY-Y0850K [1,0,0,0,0,0|1,1,0]=3 33 B2R0.1 C=CO HY-Y0850N [1,0,0,0,0,0|1,1,0]=3 34 B2R0.1 C=CO HY-Y0850P [1,0,0,0,0,0|1,1,0]=3 35 B2R0.1 C=CO HY-Y0850U6 [1,0,0,0,0,0|1,1,0]=3 36 B2R0.1 CON HY-Y0958 [1,0,0,0,0,0|2,0,0]=3 37 B2R0.1 C[Cu]C HY-Y1102A [1,0,0,0,0,0|3,0,0]=4 38 B2R0.1 C[Pd]C HY-W002072 [1,0,0,0,0,0|3,0,0]=4 39 B2R0.1 C[Zn]C HY-B1817 [1,0,0,0,0,0|3,0,0]=4 40 B2R0.1 C[Zn]C HY-B1817A [1,0,0,0,0,0|3,0,0]=4 41 B2R0.1 ClClCl HY-W075903 [1,0,0,0,0,0|3,0,0]=4 42 B2R0.1 Cl[Ca]Cl HY-Y0406E [1,0,0,0,0,0|3,0,0]=4 43 B2R0.1 Cl[Ca]Cl HY-Y0406H [1,0,0,0,0,0|3,0,0]=4 44 B2R0.1 Cl[Mg]Cl HY-Y1110H [1,0,0,0,0,0|3,0,0]=4 45 B2R0.1 Cl[Mg]Cl HY-Y1110I [1,0,0,0,0,0|3,0,0]=4 46 B2R0.1 Cl[Mn]Cl HY-W019894 [1,0,0,0,0,0|3,0,0]=4 47 B2R0.1 Cl[Pt]Cl HY-W075885 [1,0,0,0,0,0|3,0,0]=4 48 B2R0.1 Cl[SnH2]Cl HY-Y0481 [1,0,0,0,0,0|3,0,0]=4 49 B2R0.1 F[Ca]F HY-W019962 [1,0,0,0,0,0|3,0,0]=4 50 B2R0.1 F[Mg]F HY-W019922 [1,0,0,0,0,0|3,0,0]=4 51 B2R0.1 F[Ni]F HY-W075766 [1,0,0,0,0,0|3,0,0]=4 52 B2R0.1 NC=O HY-Y0842 [1,0,0,0,0,0|0,1,0]=2 53 B2R0.1 NC=O HY-Y0842B [1,0,0,0,0,0|0,1,0]=2 54 B2R0.1 O=[Ti]=O HY-W051271 [1,0,0,0,0,0|2,1,0]=4 55 B2R0.1 O[Ca]O HY-B2217 [1,0,0,0,0,0|2,1,0]=4 56 B2R0.1 O[Ca]O HY-B2217D [1,0,0,0,0,0|2,1,0]=4 57 B2R0.1 O[Mg]O HY-B2218D [1,0,0,0,0,0|2,1,0]=4 58 B2R0.1 [*]B=S HY-D0842 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 C=CC(=O)O HY-W243303A [0,1,0,0,0,0|2,1,0]=4 60 B4R0.1 C=CC(=O)O HY-W243303C [0,1,0,0,0,0|2,1,0]=4 61 B4R0.1 C=CC(=O)O HY-W243303D [0,1,0,0,0,0|2,1,0]=4 62 B4R0.1 C=CC(=O)O HY-W243303E [0,1,0,0,0,0|2,1,0]=4 63 B4R0.1 C=CC(=O)O HY-W243303O [0,1,0,0,0,0|2,1,0]=4 64 B4R0.1 C=CC(N)=O HY-W115727 [0,1,0,0,0,0|1,1,0]=3 65 B4R0.1 C=CC(N)=O HY-W115727A [0,1,0,0,0,0|1,1,0]=3 66 B4R0.1 C=CC(N)=O HY-W115727B [0,1,0,0,0,0|1,1,0]=3 67 B4R0.1 CC(=O)C=O HY-W020014 [0,1,0,0,0,0|2,1,0]=4 68 B4R0.1 CC(=O)CO HY-Y1366 [0,1,0,0,0,0|2,1,0]=4 69 B4R0.1 CC(=O)NBr HY-131899 [0,1,0,0,0,0|1,1,0]=3 70 B4R0.1 CC(=O)NO HY-B1235 [0,1,0,0,0,0|1,1,0]=3 71 B4R0.1 CC(=O)O[K] HY-Y0319B [0,1,0,0,0,0|2,1,0]=4 72 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,1,0,0,0,0|2,1,0]=4 73 B4R0.1 CC(C)=NO HY-W008840 [0,1,0,0,0,0|2,0,1]=4 74 B4R0.1 CC(O)CN HY-W015969 [0,1,0,0,0,0|1,1,1]=4 75 B4R0.1 CNC(=N)N HY-W005028 [0,1,0,0,0,0|1,0,0]=2 76 B4R0.1 COC(N)=O HY-Y1401 [0,1,0,0,0,0|1,1,0]=3 77 B4R0.1 C[C@@H](N)CO HY-W010646 [0,1,0,0,0,0|1,1,1]=4 78 B4R0.1 C[C@@H](O)CN HY-W002295 [0,1,0,0,0,0|1,1,1]=4 79 B4R0.1 N=C(N)NN HY-B1041 [0,1,0,0,0,0|1,0,0]=2 80 B4R0.1 N=C(N)NN HY-W020772 [0,1,0,0,0,0|1,0,0]=2 81 B4R0.1 NC(=O)CBr HY-W007330 [0,1,0,0,0,0|1,1,0]=3 82 B4R0.1 NC(=O)CCl HY-W010629 [0,1,0,0,0,0|1,1,0]=3 83 B4R0.1 NC(=O)CI HY-34477 [0,1,0,0,0,0|1,1,0]=3 84 B4R0.1 NC(=O)NO HY-B0313 [0,1,0,0,0,0|0,1,0]=2 85 B4R0.1 NC(=O)NO HY-B0313R [0,1,0,0,0,0|0,1,0]=2 86 B4R0.1 NCC(=O)O HY-Y0966 [0,1,0,0,0,0|1,1,0]=3 87 B4R0.1 NCC(=O)O HY-Y0966R [0,1,0,0,0,0|1,1,0]=3 88 B4R0.1 NCC(N)=O HY-Y1123 [0,1,0,0,0,0|0,1,0]=2 89 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,1,0,0,0,0|1,1,0]=3 90 B4R0.1 NNC(N)=O HY-Y0470 [0,1,0,0,0,0|0,1,0]=2 91 B4R0.1 NNC(N)=S HY-Y0032 [0,1,0,0,0,0|0,0,0]=1 92 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,1,0,0,0,0|1,1,0]=3 93 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,1,0,0,0,0|1,1,0]=3 94 B4R0.1 O=C(O)CO HY-W015967 [0,1,0,0,0,0|2,1,0]=4 95 B4R0.1 O=C(O)[Ba]O HY-Y0827 [0,1,0,0,0,0|2,1,0]=4 96 B4R0.1 O=C(O)[Ca]O HY-W243408C [0,1,0,0,0,0|2,1,0]=4 97 B4R0.1 O=C([Zn])OO HY-B1818 [0,1,0,0,0,0|2,1,0]=4 98 B4R0.1 O=CC(=O)O HY-79494 [0,1,0,0,0,0|2,1,0]=4 99 B4R0.1 O=[13C](O)O[Na] HY-W251598S [0,1,0,0,0,0|2,1,0]=4 100 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,1,0,0,0,0|1,1,0]=3 101 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [0,1,0,0,0,0|2,1,0]=4 102 B4R0.3 CS(N)(=O)=O HY-Y0995 [0,1,0,0,0,0|2,1,0]=4 103 B4R0.3 NS(=O)(=O)O HY-W040155 [0,1,0,0,0,0|2,1,0]=4 104 B4R0.3 N[Pt](N)(Cl)Cl HY-17394 [0,1,0,0,0,0|2,0,0]=3 105 B1R0.1 C#N HY-W540000 [2,0,0,0,0,0|0,0,2]=4 106 B1R0.1 CC HY-D1005 [2,0,0,0,0,0|1,0,1]=4 107 B1R0.1 CC HY-D1005A [2,0,0,0,0,0|1,0,1]=4 108 B1R0.1 CC HY-D1005B [2,0,0,0,0,0|1,0,1]=4 109 B1R0.1 CC HY-D1005F [2,0,0,0,0,0|1,0,1]=4 110 B1R0.1 CC HY-D1005H [2,0,0,0,0,0|1,0,1]=4 111 B1R0.1 ClCl HY-W033573 [2,0,0,0,0,0|2,0,0]=4 112 B1R0.1 Cl[Ag] HY-W019929 [2,0,0,0,0,0|2,0,0]=4 113 B1R0.1 Cl[K] HY-Y0537 [2,0,0,0,0,0|2,0,0]=4 114 B1R0.1 Cl[K] HY-Y0537C [2,0,0,0,0,0|2,0,0]=4 115 B1R0.1 Cl[K] HY-Y0537E [2,0,0,0,0,0|2,0,0]=4 116 B1R0.1 F[Ag] HY-Y0975 [2,0,0,0,0,0|2,0,0]=4 117 B1R0.1 I[Cs] HY-W040160 [2,0,0,0,0,0|2,0,0]=4 118 B1R0.1 NO HY-Y0882 [2,0,0,0,0,0|0,1,0]=3 119 B1R0.1 O=[Ni] HY-W075770 [2,0,0,0,0,0|1,1,0]=4 120 B1R0.1 O=[Zn] HY-W116336B [2,0,0,0,0,0|1,1,0]=4 121 B1R0.1 O=[Zn] HY-W116336D [2,0,0,0,0,0|1,1,0]=4 122 B1R0.1 S=[Zn] HY-B1821 [2,0,0,0,0,0|1,0,0]=3 123 B1R0.1 [15NH2]Cl HY-Y1269S [2,0,0,0,0,0|1,0,0]=3 124 B1R0.1 [Cu]I HY-Y0961 [2,0,0,0,0,0|2,0,0]=4 125 B1R0.1 [K]Br HY-Y1673 [2,0,0,0,0,0|2,0,0]=4 126 B1R0.1 [K]I HY-Y0283 [2,0,0,0,0,0|2,0,0]=4 127 B1R0.1 [Li]Cl HY-Y0649 [2,0,0,0,0,0|2,0,0]=4 128 B1R0.1 [Li]Cl HY-Y0649D [2,0,0,0,0,0|2,0,0]=4 129 B1R0.1 [Na]Cl HY-Y0344D [2,0,0,0,0,0|2,0,0]=4 130 B1R0.1 [Na]Cl HY-Y0344I [2,0,0,0,0,0|2,0,0]=4 131 B1R0.1 [Na]I HY-B1770 [2,0,0,0,0,0|2,0,0]=4 132 B1R0.1 [Na][Na] HY-W094507 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.1 C(=O)ON HY-Y0488A [1,1,0,0,0,0|0,1,0]=3 134 B3R0.1 CNNC HY-W460407 [1,1,0,0,0,0|2,0,0]=4 135 B3R0.1 CNOC HY-41074 [1,1,0,0,0,0|2,0,0]=4 136 B3R0.1 NCCO HY-W035903 [1,1,0,0,0,0|0,1,1]=4 137 B3R0.1 NCCS HY-77591 [1,1,0,0,0,0|0,0,2]=4 138 B3R0.1 O=[13CH]CO HY-146995S [1,1,0,0,0,0|1,1,0]=4 139 B5R0.1 CC(=O)NCO HY-W024564 [0,2,0,0,0,0|1,1,0]=4 140 B5R0.1 CCCC(N)=O HY-W088319 [0,2,0,0,0,0|1,1,0]=4 141 B5R0.1 CCOC(N)=O HY-B1207 [0,2,0,0,0,0|1,1,0]=4 142 B5R0.1 CCOC(N)=O HY-B1207R [0,2,0,0,0,0|1,1,0]=4 143 B5R0.1 CCSC(=N)N HY-101252 [0,2,0,0,0,0|0,0,2]=4 144 B5R0.1 CNCC(=O)O HY-101037 [0,2,0,0,0,0|1,1,0]=4 145 B5R0.1 CNCC(=O)O HY-101037R [0,2,0,0,0,0|1,1,0]=4 146 B5R0.1 NCCC(=O)O HY-N0230 [0,2,0,0,0,0|1,1,0]=4 147 B5R0.1 NOCC(=O)O HY-107994 [0,2,0,0,0,0|1,1,0]=4 148 B5R0.3 CNC(=S)NC HY-W027951 [0,2,0,0,0,0|0,0,0]=2 149 B5R0.3 COC(=O)CN HY-Y1789 [0,2,0,0,0,0|1,1,0]=4 150 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,2,0,0,0,0|1,1,0]=4 151 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,2,0,0,0,0|1,1,0]=4 152 B5R0.5 CC(=O)N(C)C HY-W042416 [0,2,0,0,0,0|1,1,0]=4 153 B5R0.5 CC(N)C(=O)O HY-N2362 [0,2,0,0,0,0|1,1,0]=4 154 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,2,0,0,0,0|1,1,0]=4 155 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,2,0,0,0,0|1,1,0]=4 156 B5R0.5 N=C(N)S(=O)O HY-W015915 [0,2,0,0,0,0|0,0,2]=4 157 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,2,0,0,0,0|1,1,0]=4 158 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,2,0,0,0,0|1,1,0]=4 159 B5R0.5 NC(=S)C(N)=S HY-W010488 [0,2,0,0,0,0|0,0,0]=2 160 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,2,0,0,0,0|1,1,0]=4 161 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,2,0,0,0,0|1,1,0]=4