0 B3R0.2 CB(O)O HY-34449 [0,0,0,0,0,0|2,1,0]=3 1 B3R0.2 CC(=O)O HY-13443A [0,0,0,0,0,0|1,1,1]=3 2 B3R0.2 CC(=O)O HY-75153 [0,0,0,0,0,0|1,1,1]=3 3 B3R0.2 CC(=O)O HY-P0052A [0,0,0,0,0,0|1,1,1]=3 4 B3R0.2 CC(=O)O HY-W094353 [0,0,0,0,0,0|1,1,1]=3 5 B3R0.2 CC(=O)O HY-Y0849C [0,0,0,0,0,0|1,1,1]=3 6 B3R0.2 CC(C)[O-] HY-133023 [0,0,0,0,0,0|0,1,0]=1 7 B3R0.2 CC(N)=O HY-Y0946 [0,0,0,0,0,0|1,1,1]=3 8 B3R0.2 CC(N)=S HY-Y0698 [0,0,0,0,0,0|1,0,2]=3 9 B3R0.2 CN(C)C HY-Y0504 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CN(C)C HY-Y0504R [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CS(C)=O HY-Y0320R [0,0,0,0,0,0|1,1,0]=2 12 B3R0.2 C[13C](=O)O HY-W772341 [0,0,0,0,0,0|1,1,1]=3 13 B3R0.2 C[Cr](C)C HY-D1163 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 N=C(N)N HY-B0178A [0,0,0,0,0,0|3,0,1]=4 15 B3R0.2 N=C(N)N HY-D0841 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 NC(N)=O HY-Y0271 [0,0,0,0,0,0|2,1,1]=4 17 B3R0.2 NC(N)=O HY-Y0271R [0,0,0,0,0,0|2,1,1]=4 18 B3R0.2 N[13C](N)=O HY-118877 [0,0,0,0,0,0|2,1,1]=4 19 B3R0.2 O=[13C]([O-])O HY-Y0287AS [0,0,0,0,0,0|2,1,1]=4 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|2,0,0]=2 24 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [0,0,0,0,0,0|2,1,1]=4 25 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [0,0,0,0,0,0|2,1,1]=4 26 B2R0.1 C=CCl HY-W687022A [1,0,0,0,0,0|1,0,2]=4 27 B2R0.1 C=CO HY-Y0850 [1,0,0,0,0,0|0,1,2]=4 28 B2R0.1 C=CO HY-Y0850E [1,0,0,0,0,0|0,1,2]=4 29 B2R0.1 C=CO HY-Y0850H [1,0,0,0,0,0|0,1,2]=4 30 B2R0.1 C=CO HY-Y0850I [1,0,0,0,0,0|0,1,2]=4 31 B2R0.1 C=CO HY-Y0850J [1,0,0,0,0,0|0,1,2]=4 32 B2R0.1 C=CO HY-Y0850K [1,0,0,0,0,0|0,1,2]=4 33 B2R0.1 C=CO HY-Y0850N [1,0,0,0,0,0|0,1,2]=4 34 B2R0.1 C=CO HY-Y0850P [1,0,0,0,0,0|0,1,2]=4 35 B2R0.1 C=CO HY-Y0850U6 [1,0,0,0,0,0|0,1,2]=4 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|1,0,0]=2 38 B2R0.1 C[Pd]C HY-W002072 [1,0,0,0,0,0|1,0,0]=2 39 B2R0.1 C[Zn]C HY-B1817 [1,0,0,0,0,0|1,0,0]=2 40 B2R0.1 C[Zn]C HY-B1817A [1,0,0,0,0,0|1,0,0]=2 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|1,1,1]=4 53 B2R0.1 NC=O HY-Y0842B [1,0,0,0,0,0|1,1,1]=4 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|2,0,1]=4 59 B4R0.1 CC(=O)C=O HY-W020014 [0,1,0,0,0,0|0,1,2]=4 60 B4R0.1 CC(=O)CO HY-Y1366 [0,1,0,0,0,0|0,1,1]=3 61 B4R0.1 CC(=O)NBr HY-131899 [0,1,0,0,0,0|1,1,1]=4 62 B4R0.1 CC(=O)NO HY-B1235 [0,1,0,0,0,0|1,1,1]=4 63 B4R0.1 CC(=O)O[K] HY-Y0319B [0,1,0,0,0,0|1,1,1]=4 64 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,1,0,0,0,0|1,1,1]=4 65 B4R0.1 CC(C)=NO HY-W008840 [0,1,0,0,0,0|0,1,1]=3 66 B4R0.1 CC(O)CN HY-W015969 [0,1,0,0,0,0|0,1,0]=2 67 B4R0.1 CC(O)CO HY-Y0921 [0,1,0,0,0,0|0,1,0]=2 68 B4R0.1 CC[C@@H](C)O HY-W087952 [0,1,0,0,0,0|0,1,0]=2 69 B4R0.1 CNC(=N)N HY-W005028 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.1 COC(N)=O HY-Y1401 [0,1,0,0,0,0|1,1,1]=4 71 B4R0.1 C[C@@H](N)CO HY-W010646 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.1 C[C@@H](O)CN HY-W002295 [0,1,0,0,0,0|0,1,0]=2 73 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,1,0,0,0,0|0,1,0]=2 74 B4R0.1 NC(=O)CBr HY-W007330 [0,1,0,0,0,0|1,1,1]=4 75 B4R0.1 NC(=O)CCl HY-W010629 [0,1,0,0,0,0|1,1,1]=4 76 B4R0.1 NC(=O)CI HY-34477 [0,1,0,0,0,0|1,1,1]=4 77 B4R0.1 NCC(=O)O HY-Y0966 [0,1,0,0,0,0|1,1,1]=4 78 B4R0.1 NCC(=O)O HY-Y0966R [0,1,0,0,0,0|1,1,1]=4 79 B4R0.1 NCC(N)=O HY-Y1123 [0,1,0,0,0,0|1,1,1]=4 80 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,1,0,0,0,0|1,1,1]=4 81 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,1,0,0,0,0|1,1,1]=4 82 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,1,0,0,0,0|1,1,1]=4 83 B4R0.1 O=C(O)CO HY-W015967 [0,1,0,0,0,0|1,1,1]=4 84 B4R0.1 O=[N+]([O-])CBr HY-131120 [0,1,0,0,0,0|2,1,0]=4 85 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,1,0,0,0,0|1,1,1]=4 86 B4R0.3 CN(C)(C)=O HY-116084 [0,1,0,0,0,0|1,1,0]=3 87 B4R0.3 CS(C)(=O)=O HY-Y1314 [0,1,0,0,0,0|1,1,0]=3 88 B4R0.3 CS(N)(=O)=O HY-Y0995 [0,1,0,0,0,0|2,1,0]=4 89 B4R0.3 C[N+](C)(C)C HY-W014861 [0,1,0,0,0,0|2,0,0]=3 90 B4R0.3 C[N+](C)(C)C HY-W040184 [0,1,0,0,0,0|2,0,0]=3 91 B4R0.3 C[N+](C)(C)C HY-W095635 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.3 C[N+](C)(C)C HY-W127672 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.3 C[N+](C)(C)C HY-W130431 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.3 C[N+](C)(C)C HY-Y0658 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.3 C[N+](C)(C)[O-] HY-108915 [0,1,0,0,0,0|1,1,0]=3 96 B4R0.3 C[Ti](C)(Cl)Cl HY-106782 [0,1,0,0,0,0|2,0,0]=3 97 B1R0.1 C#N HY-W540000 [2,0,0,0,0,0|1,0,1]=4 98 B1R0.1 CC HY-D1005 [2,0,0,0,0,0|0,0,0]=2 99 B1R0.1 CC HY-D1005A [2,0,0,0,0,0|0,0,0]=2 100 B1R0.1 CC HY-D1005B [2,0,0,0,0,0|0,0,0]=2 101 B1R0.1 CC HY-D1005F [2,0,0,0,0,0|0,0,0]=2 102 B1R0.1 CC HY-D1005H [2,0,0,0,0,0|0,0,0]=2 103 B1R0.1 ClCl HY-W033573 [2,0,0,0,0,0|2,0,0]=4 104 B1R0.1 Cl[Ag] HY-W019929 [2,0,0,0,0,0|2,0,0]=4 105 B1R0.1 Cl[K] HY-Y0537 [2,0,0,0,0,0|2,0,0]=4 106 B1R0.1 Cl[K] HY-Y0537C [2,0,0,0,0,0|2,0,0]=4 107 B1R0.1 Cl[K] HY-Y0537E [2,0,0,0,0,0|2,0,0]=4 108 B1R0.1 F[Ag] HY-Y0975 [2,0,0,0,0,0|2,0,0]=4 109 B1R0.1 I[Cs] HY-W040160 [2,0,0,0,0,0|2,0,0]=4 110 B1R0.1 NO HY-Y0882 [2,0,0,0,0,0|1,1,0]=4 111 B1R0.1 O=[Ni] HY-W075770 [2,0,0,0,0,0|1,1,0]=4 112 B1R0.1 O=[Zn] HY-W116336B [2,0,0,0,0,0|1,1,0]=4 113 B1R0.1 O=[Zn] HY-W116336D [2,0,0,0,0,0|1,1,0]=4 114 B1R0.1 S=[Zn] HY-B1821 [2,0,0,0,0,0|1,0,1]=4 115 B1R0.1 [15NH2]Cl HY-Y1269S [2,0,0,0,0,0|2,0,0]=4 116 B1R0.1 [Cu]I HY-Y0961 [2,0,0,0,0,0|2,0,0]=4 117 B1R0.1 [K]Br HY-Y1673 [2,0,0,0,0,0|2,0,0]=4 118 B1R0.1 [K]I HY-Y0283 [2,0,0,0,0,0|2,0,0]=4 119 B1R0.1 [Li]Cl HY-Y0649 [2,0,0,0,0,0|2,0,0]=4 120 B1R0.1 [Li]Cl HY-Y0649D [2,0,0,0,0,0|2,0,0]=4 121 B1R0.1 [Na]Cl HY-Y0344D [2,0,0,0,0,0|2,0,0]=4 122 B1R0.1 [Na]Cl HY-Y0344I [2,0,0,0,0,0|2,0,0]=4 123 B1R0.1 [Na]I HY-B1770 [2,0,0,0,0,0|2,0,0]=4 124 B1R0.1 [Na][Na] HY-W094507 [2,0,0,0,0,0|2,0,0]=4 125 B3R0.1 CNNC HY-W460407 [1,1,0,0,0,0|1,0,0]=3 126 B3R0.1 CNOC HY-41074 [1,1,0,0,0,0|1,0,0]=3 127 B3R0.1 N#CS[Na] HY-23119 [1,1,0,0,0,0|1,0,1]=4 128 B3R0.1 NCCO HY-W035903 [1,1,0,0,0,0|0,1,0]=3 129 B3R0.1 NCCS HY-77591 [1,1,0,0,0,0|0,0,0]=2 130 B3R0.1 O=[13CH]CO HY-146995S [1,1,0,0,0,0|0,1,1]=4 131 B3R0.1 OCCO HY-Y0338 [1,1,0,0,0,0|0,1,0]=3 132 B3R0.1 OCCO HY-Y0873A [1,1,0,0,0,0|0,1,0]=3 133 B3R0.1 OCCO HY-Y0873A1 [1,1,0,0,0,0|0,1,0]=3 134 B3R0.1 OCCO HY-Y0873B [1,1,0,0,0,0|0,1,0]=3 135 B3R0.1 OCCO HY-Y0873C [1,1,0,0,0,0|0,1,0]=3 136 B3R0.1 OCCO HY-Y0873E [1,1,0,0,0,0|0,1,0]=3 137 B3R0.1 OCCO HY-Y0873F [1,1,0,0,0,0|0,1,0]=3 138 B3R0.1 OCCO HY-Y0873G [1,1,0,0,0,0|0,1,0]=3 139 B3R0.1 OCCO HY-Y0873H [1,1,0,0,0,0|0,1,0]=3 140 B3R0.1 OCCO HY-Y0873I [1,1,0,0,0,0|0,1,0]=3 141 B3R0.1 OCCO HY-Y0873J [1,1,0,0,0,0|0,1,0]=3 142 B3R0.1 OCCO HY-Y0873K [1,1,0,0,0,0|0,1,0]=3 143 B3R0.1 OCCO HY-Y0873L [1,1,0,0,0,0|0,1,0]=3 144 B3R0.1 OCCO HY-Y0873M [1,1,0,0,0,0|0,1,0]=3 145 B3R0.1 OCCO HY-Y0873N [1,1,0,0,0,0|0,1,0]=3 146 B3R0.1 OCCO HY-Y0873O [1,1,0,0,0,0|0,1,0]=3 147 B3R0.1 OCCO HY-Y0873P [1,1,0,0,0,0|0,1,0]=3 148 B3R0.1 OCCO HY-Y0873Q [1,1,0,0,0,0|0,1,0]=3 149 B5R0.1 CC(=O)CCO HY-W051287 [0,2,0,0,0,0|0,1,1]=4 150 B5R0.1 CC(=O)NCO HY-W024564 [0,2,0,0,0,0|0,1,1]=4 151 B5R0.1 CC(C)=CC=O HY-34409 [0,2,0,0,0,0|0,1,1]=4 152 B5R0.1 CC(C)=CCO HY-W013035 [0,2,0,0,0,0|0,1,1]=4 153 B5R0.1 CC(N)CC#N HY-W018936 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.1 CC(O)CCO HY-77490A [0,2,0,0,0,0|0,1,0]=3 155 B5R0.1 CN(C)CC=O HY-100061A [0,2,0,0,0,0|1,1,0]=4 156 B5R0.1 C[C@@H](O)CCO HY-77490 [0,2,0,0,0,0|0,1,0]=3 157 B5R0.3 CCC(=O)CO HY-W005327 [0,2,0,0,0,0|0,1,1]=4 158 B5R0.3 CCC(C)C=O HY-W020678 [0,2,0,0,0,0|0,1,0]=3 159 B5R0.3 CNC(=S)NC HY-W027951 [0,2,0,0,0,0|0,0,2]=4 160 B5R0.3 COC(=O)CN HY-Y1789 [0,2,0,0,0,0|0,1,1]=4 161 B5R0.3 NCC(O)CO HY-W002040 [0,2,0,0,0,0|0,1,0]=3 162 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,2,0,0,0,0|0,1,0]=3 163 B5R0.3 O=C(CO)CO HY-Y0335 [0,2,0,0,0,0|0,1,1]=4 164 B5R0.3 O=CC(O)CO HY-128748 [0,2,0,0,0,0|0,1,1]=4 165 B5R0.3 O=C[C@@H](O)CO HY-W008504 [0,2,0,0,0,0|0,1,1]=4 166 B5R0.3 OC(CBr)CBr HY-W014092 [0,2,0,0,0,0|0,1,0]=3 167 B5R0.3 OCC(O)CO HY-B1659 [0,2,0,0,0,0|0,1,0]=3 168 B5R0.3 OCC(O)CO HY-B1659R [0,2,0,0,0,0|0,1,0]=3 169 B5R0.3 OCC(S)CS HY-B1285 [0,2,0,0,0,0|0,0,0]=2 170 B5R0.4 CC(C)(N)CO HY-W013027 [0,2,0,0,0,0|0,1,0]=3 171 B5R0.4 CC(C)(N)CO HY-W013027A [0,2,0,0,0,0|0,1,0]=3 172 B5R0.4 CC(C)(O)CN HY-33948 [0,2,0,0,0,0|0,1,0]=3 173 B5R0.4 CC[N+](C)(C)C HY-W101257 [0,2,0,0,0,0|2,0,0]=4 174 B5R0.4 COS(C)(=O)=O HY-W004702 [0,2,0,0,0,0|1,1,0]=4 175 B5R0.4 COS(C)(=O)=O HY-W004702R [0,2,0,0,0,0|1,1,0]=4 176 B5R0.4 CO[Si](C)(C)C HY-104035E [0,2,0,0,0,0|0,2,0]=4 177 B5R0.4 OCC(Br)(Br)Br HY-B1372 [0,2,0,0,0,0|2,0,0]=4 178 B5R0.4 OCC(Cl)(Cl)Cl HY-B1500 [0,2,0,0,0,0|2,0,0]=4 179 B5R0.5 CC(=O)N(C)C HY-W042416 [0,2,0,0,0,0|0,1,1]=4 180 B5R0.5 CC(N)C(=O)O HY-N2362 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.5 CC(O)C(=O)O HY-B1530 [0,2,0,0,0,0|0,1,1]=4 182 B5R0.5 CC(O)C(=O)O HY-B2227 [0,2,0,0,0,0|0,1,1]=4 183 B5R0.5 CC(O)C(=O)O HY-B2227D [0,2,0,0,0,0|0,1,1]=4 184 B5R0.5 CC(O)C(=O)O HY-B2227R [0,2,0,0,0,0|0,1,1]=4 185 B5R0.5 CC(O)C(=O)O HY-W250313 [0,2,0,0,0,0|0,1,1]=4 186 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,2,0,0,0,0|0,1,1]=4 187 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,2,0,0,0,0|0,1,1]=4 188 B5R0.5 CC(O)C(C)O HY-128387 [0,2,0,0,0,0|0,1,0]=3 189 B5R0.5 CC(O)C(C)O HY-128387R [0,2,0,0,0,0|0,1,0]=3 190 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,2,0,0,0,0|0,1,0]=3 191 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,2,0,0,0,0|1,0,1]=4 192 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,2,0,0,0,0|1,0,1]=4 193 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,2,0,0,0,0|0,1,1]=4 194 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,2,0,0,0,0|0,1,1]=4 195 B5R1.2 FC1CNC1 HY-W001606 [0,1,0,1,0,0|1,0,0]=3 196 B5R1.2 IC1COC1 HY-W016306 [0,1,0,1,0,0|1,0,0]=3 197 B5R1.2 O=C1CCO1 HY-107931 [0,1,0,1,0,0|0,1,1]=4 198 B5R1.2 O=C1COC1 HY-76440 [0,1,0,1,0,0|0,1,1]=4 199 B5R1.2 OC1CCC1 HY-W013042 [0,1,0,1,0,0|0,1,0]=3 200 B5R1.2 OC1CNC1 HY-40144 [0,1,0,1,0,0|0,1,0]=3 201 B5R1.3 BrCC1CC1 HY-Y1100 [0,1,0,1,0,0|1,0,0]=3 202 B5R1.3 OCC1CO1 HY-Y1010 [0,1,0,1,0,0|0,1,0]=3