0 B3R0.1 C(=O)ON HY-Y0488A [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 CNNC HY-W460407 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.1 CNOC HY-41074 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.1 N#CS[Na] HY-23119 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.1 NCCO HY-W035903 [0,0,0,0,0,0|1,0,2]=3 5 B3R0.1 NCCS HY-77591 [0,0,0,0,0,0|1,1,1]=3 6 B3R0.1 O=[13CH]CO HY-146995S [0,0,0,0,0,0|1,0,0]=1 7 B3R0.1 OCCO HY-Y0338 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.1 OCCO HY-Y0873A [0,0,0,0,0,0|1,0,2]=3 9 B3R0.1 OCCO HY-Y0873A1 [0,0,0,0,0,0|1,0,2]=3 10 B3R0.1 OCCO HY-Y0873B [0,0,0,0,0,0|1,0,2]=3 11 B3R0.1 OCCO HY-Y0873C [0,0,0,0,0,0|1,0,2]=3 12 B3R0.1 OCCO HY-Y0873E [0,0,0,0,0,0|1,0,2]=3 13 B3R0.1 OCCO HY-Y0873F [0,0,0,0,0,0|1,0,2]=3 14 B3R0.1 OCCO HY-Y0873G [0,0,0,0,0,0|1,0,2]=3 15 B3R0.1 OCCO HY-Y0873H [0,0,0,0,0,0|1,0,2]=3 16 B3R0.1 OCCO HY-Y0873I [0,0,0,0,0,0|1,0,2]=3 17 B3R0.1 OCCO HY-Y0873J [0,0,0,0,0,0|1,0,2]=3 18 B3R0.1 OCCO HY-Y0873K [0,0,0,0,0,0|1,0,2]=3 19 B3R0.1 OCCO HY-Y0873L [0,0,0,0,0,0|1,0,2]=3 20 B3R0.1 OCCO HY-Y0873M [0,0,0,0,0,0|1,0,2]=3 21 B3R0.1 OCCO HY-Y0873N [0,0,0,0,0,0|1,0,2]=3 22 B3R0.1 OCCO HY-Y0873O [0,0,0,0,0,0|1,0,2]=3 23 B3R0.1 OCCO HY-Y0873P [0,0,0,0,0,0|1,0,2]=3 24 B3R0.1 OCCO HY-Y0873Q [0,0,0,0,0,0|1,0,2]=3 25 B3R0.1 OOOP HY-Y1939A [0,0,0,0,0,0|3,0,1]=4 26 B2R0.1 C=CCl HY-W687022A [1,0,0,0,0,0|1,0,1]=3 27 B2R0.1 C=CO HY-Y0850 [1,0,0,0,0,0|0,0,2]=3 28 B2R0.1 C=CO HY-Y0850E [1,0,0,0,0,0|0,0,2]=3 29 B2R0.1 C=CO HY-Y0850H [1,0,0,0,0,0|0,0,2]=3 30 B2R0.1 C=CO HY-Y0850I [1,0,0,0,0,0|0,0,2]=3 31 B2R0.1 C=CO HY-Y0850J [1,0,0,0,0,0|0,0,2]=3 32 B2R0.1 C=CO HY-Y0850K [1,0,0,0,0,0|0,0,2]=3 33 B2R0.1 C=CO HY-Y0850N [1,0,0,0,0,0|0,0,2]=3 34 B2R0.1 C=CO HY-Y0850P [1,0,0,0,0,0|0,0,2]=3 35 B2R0.1 C=CO HY-Y0850U6 [1,0,0,0,0,0|0,0,2]=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|1,0,1]=3 38 B2R0.1 C[Pd]C HY-W002072 [1,0,0,0,0,0|1,0,1]=3 39 B2R0.1 C[Zn]C HY-B1817 [1,0,0,0,0,0|1,0,1]=3 40 B2R0.1 C[Zn]C HY-B1817A [1,0,0,0,0,0|1,0,1]=3 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|1,0,0]=2 53 B2R0.1 NC=O HY-Y0842B [1,0,0,0,0,0|1,0,0]=2 54 B2R0.1 O=[Ti]=O HY-W051271 [1,0,0,0,0,0|2,0,0]=3 55 B2R0.1 O[Ca]O HY-B2217 [1,0,0,0,0,0|2,0,1]=4 56 B2R0.1 O[Ca]O HY-B2217D [1,0,0,0,0,0|2,0,1]=4 57 B2R0.1 O[Mg]O HY-B2218D [1,0,0,0,0,0|2,0,1]=4 58 B2R0.1 [*]B=S HY-D0842 [1,0,0,0,0,0|2,1,0]=4 59 B4R0.1 C=CC(=O)O HY-W243303A [0,1,0,0,0,0|0,0,2]=3 60 B4R0.1 C=CC(=O)O HY-W243303C [0,1,0,0,0,0|0,0,2]=3 61 B4R0.1 C=CC(=O)O HY-W243303D [0,1,0,0,0,0|0,0,2]=3 62 B4R0.1 C=CC(=O)O HY-W243303E [0,1,0,0,0,0|0,0,2]=3 63 B4R0.1 C=CC(=O)O HY-W243303O [0,1,0,0,0,0|0,0,2]=3 64 B4R0.1 C=CC(N)=O HY-W115727 [0,1,0,0,0,0|0,0,2]=3 65 B4R0.1 C=CC(N)=O HY-W115727A [0,1,0,0,0,0|0,0,2]=3 66 B4R0.1 C=CC(N)=O HY-W115727B [0,1,0,0,0,0|0,0,2]=3 67 B4R0.1 CC(=O)C=O HY-W020014 [0,1,0,0,0,0|0,0,1]=2 68 B4R0.1 CC(=O)CO HY-Y1366 [0,1,0,0,0,0|1,0,0]=2 69 B4R0.1 CC(=O)NBr HY-131899 [0,1,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(=O)NO HY-B1235 [0,1,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(=O)O[K] HY-Y0319B [0,1,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(=O)O[K] HY-Y0319B1 [0,1,0,0,0,0|2,0,0]=3 73 B4R0.1 CC(C)=NO HY-W008840 [0,1,0,0,0,0|1,0,2]=4 74 B4R0.1 CC(O)CN HY-W015969 [0,1,0,0,0,0|1,0,1]=3 75 B4R0.1 CC(O)CO HY-Y0921 [0,1,0,0,0,0|0,0,2]=3 76 B4R0.1 CC[C@@H](C)O HY-W087952 [0,1,0,0,0,0|0,0,2]=3 77 B4R0.1 CNC(=N)N HY-W005028 [0,1,0,0,0,0|2,0,0]=3 78 B4R0.1 COC(N)=O HY-Y1401 [0,1,0,0,0,0|1,0,0]=2 79 B4R0.1 C[C@@H](N)CO HY-W010646 [0,1,0,0,0,0|0,0,2]=3 80 B4R0.1 C[C@@H](O)CN HY-W002295 [0,1,0,0,0,0|1,0,1]=3 81 B4R0.1 C[C@@H](O)CO HY-Z0031 [0,1,0,0,0,0|0,0,2]=3 82 B4R0.1 N=C(N)NN HY-B1041 [0,1,0,0,0,0|3,0,0]=4 83 B4R0.1 N=C(N)NN HY-W020772 [0,1,0,0,0,0|3,0,0]=4 84 B4R0.1 NC(=O)CBr HY-W007330 [0,1,0,0,0,0|1,0,0]=2 85 B4R0.1 NC(=O)CCl HY-W010629 [0,1,0,0,0,0|1,0,0]=2 86 B4R0.1 NC(=O)CI HY-34477 [0,1,0,0,0,0|1,0,0]=2 87 B4R0.1 NC(=O)NO HY-B0313 [0,1,0,0,0,0|2,0,0]=3 88 B4R0.1 NC(=O)NO HY-B0313R [0,1,0,0,0,0|2,0,0]=3 89 B4R0.1 NCC(=O)O HY-Y0966 [0,1,0,0,0,0|1,0,0]=2 90 B4R0.1 NCC(=O)O HY-Y0966R [0,1,0,0,0,0|1,0,0]=2 91 B4R0.1 NCC(N)=O HY-Y1123 [0,1,0,0,0,0|1,0,0]=2 92 B4R0.1 NC[13C](=O)O HY-Y0966S4 [0,1,0,0,0,0|1,0,0]=2 93 B4R0.1 NNC(N)=O HY-Y0470 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.1 NNC(N)=S HY-Y0032 [0,1,0,0,0,0|2,1,0]=4 95 B4R0.1 N[13CH2]C(=O)O HY-Y0966S2 [0,1,0,0,0,0|1,0,0]=2 96 B4R0.1 N[13CH2][13C](=O)O HY-Y0966S3 [0,1,0,0,0,0|1,0,0]=2 97 B4R0.1 O=BB(O)O HY-W129975 [0,1,0,0,0,0|3,0,0]=4 98 B4R0.1 O=C(O)CO HY-W015967 [0,1,0,0,0,0|1,0,0]=2 99 B4R0.1 O=C(O)[Ba]O HY-Y0827 [0,1,0,0,0,0|2,0,0]=3 100 B4R0.1 O=C(O)[Ca]O HY-W243408C [0,1,0,0,0,0|2,0,0]=3 101 B4R0.1 O=C([Zn])OO HY-B1818 [0,1,0,0,0,0|2,0,0]=3 102 B4R0.1 O=CC(=O)O HY-79494 [0,1,0,0,0,0|1,0,1]=3 103 B4R0.1 O=C[Pb](=O)O HY-Y1877 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.1 O=P(=O)OO HY-B2243 [0,1,0,0,0,0|3,0,0]=4 105 B4R0.1 O=P(=O)OO HY-B2243A [0,1,0,0,0,0|3,0,0]=4 106 B4R0.1 O=P(=O)OO HY-B2243B [0,1,0,0,0,0|3,0,0]=4 107 B4R0.1 O=P(=O)OO HY-B2243D [0,1,0,0,0,0|3,0,0]=4 108 B4R0.1 O=P(=O)OO HY-W094497 [0,1,0,0,0,0|3,0,0]=4 109 B4R0.1 O=P(=O)OO HY-Y0332B [0,1,0,0,0,0|3,0,0]=4 110 B4R0.1 O=P(=O)OO HY-Y0332K [0,1,0,0,0,0|3,0,0]=4 111 B4R0.1 O=S=S(=O)=O HY-108775A [0,1,0,0,0,0|3,0,0]=4 112 B4R0.1 O=[13C](O)O[Na] HY-W251598S [0,1,0,0,0,0|2,0,0]=3 113 B4R0.1 O=[AlH3][AlH3](O)O HY-Y0498 [0,1,0,0,0,0|3,0,0]=4 114 B4R0.1 O=[N+]([O-])CBr HY-131120 [0,1,0,0,0,0|2,0,0]=3 115 B4R0.1 O=[Si](O)[Ca]O HY-W094349A [0,1,0,0,0,0|2,1,0]=4 116 B4R0.1 [15NH2]CC(=O)O HY-Y0966S [0,1,0,0,0,0|1,0,0]=2 117 B4R0.1 [2H]C(=O)O[Na] HY-W088065S2 [0,1,0,0,0,0|2,0,0]=3 118 B4R0.2 BrCCCBr HY-Y1806 [0,1,0,0,0,0|1,0,1]=3 119 B4R0.2 C#CCCO HY-W001947 [0,1,0,0,0,0|1,0,1]=3 120 B4R0.2 C=CCCN HY-W019321 [0,1,0,0,0,0|1,0,0]=2 121 B4R0.2 C=CCSC HY-128447 [0,1,0,0,0,0|1,0,0]=2 122 B4R0.2 CNCCO HY-Y1783 [0,1,0,0,0,0|0,0,2]=3 123 B4R0.2 COCCO HY-139415 [0,1,0,0,0,0|0,0,2]=3 124 B4R0.2 CSSSC HY-128454 [0,1,0,0,0,0|2,1,0]=4 125 B4R0.2 NCCCO HY-Y0139 [0,1,0,0,0,0|0,0,2]=3 126 B4R0.2 O=CCCO HY-N8461 [0,1,0,0,0,0|0,0,0]=1 127 B4R0.2 O=COO[K] HY-Y1220D [0,1,0,0,0,0|2,0,0]=3 128 B4R0.2 O=COO[K] HY-Y1220J [0,1,0,0,0,0|2,0,0]=3 129 B4R0.2 O=COO[Na] HY-ER013C [0,1,0,0,0,0|2,0,0]=3 130 B4R0.2 O=COO[Na] HY-W251598B [0,1,0,0,0,0|2,0,0]=3 131 B4R0.2 O=COO[Na] HY-W251598C [0,1,0,0,0,0|2,0,0]=3 132 B4R0.2 OCCCBr HY-W007337 [0,1,0,0,0,0|0,0,2]=3 133 B4R0.2 OCCCO HY-W017758 [0,1,0,0,0,0|0,0,2]=3 134 B4R0.2 OCCCS HY-W090210 [0,1,0,0,0,0|0,0,2]=3 135 B4R1.1 C1CNC1 HY-W010628 [0,0,0,1,0,0|1,0,1]=3 136 B1R0.1 C#N HY-W540000 [2,0,0,0,0,0|1,0,1]=4 137 B1R0.1 CC HY-D1005 [2,0,0,0,0,0|0,0,0]=2 138 B1R0.1 CC HY-D1005A [2,0,0,0,0,0|0,0,0]=2 139 B1R0.1 CC HY-D1005B [2,0,0,0,0,0|0,0,0]=2 140 B1R0.1 CC HY-D1005F [2,0,0,0,0,0|0,0,0]=2 141 B1R0.1 CC HY-D1005H [2,0,0,0,0,0|0,0,0]=2 142 B1R0.1 ClCl HY-W033573 [2,0,0,0,0,0|2,0,0]=4 143 B1R0.1 Cl[Ag] HY-W019929 [2,0,0,0,0,0|2,0,0]=4 144 B1R0.1 Cl[K] HY-Y0537 [2,0,0,0,0,0|2,0,0]=4 145 B1R0.1 Cl[K] HY-Y0537C [2,0,0,0,0,0|2,0,0]=4 146 B1R0.1 Cl[K] HY-Y0537E [2,0,0,0,0,0|2,0,0]=4 147 B1R0.1 F[Ag] HY-Y0975 [2,0,0,0,0,0|2,0,0]=4 148 B1R0.1 I[Cs] HY-W040160 [2,0,0,0,0,0|2,0,0]=4 149 B1R0.1 NO HY-Y0882 [2,0,0,0,0,0|1,0,1]=4 150 B1R0.1 O=[Ni] HY-W075770 [2,0,0,0,0,0|1,0,0]=3 151 B1R0.1 O=[Zn] HY-W116336B [2,0,0,0,0,0|1,0,0]=3 152 B1R0.1 O=[Zn] HY-W116336D [2,0,0,0,0,0|1,0,0]=3 153 B1R0.1 S=[Zn] HY-B1821 [2,0,0,0,0,0|1,1,0]=4 154 B1R0.1 [15NH2]Cl HY-Y1269S [2,0,0,0,0,0|2,0,0]=4 155 B1R0.1 [Cu]I HY-Y0961 [2,0,0,0,0,0|2,0,0]=4 156 B1R0.1 [K]Br HY-Y1673 [2,0,0,0,0,0|2,0,0]=4 157 B1R0.1 [K]I HY-Y0283 [2,0,0,0,0,0|2,0,0]=4 158 B1R0.1 [Li]Cl HY-Y0649 [2,0,0,0,0,0|2,0,0]=4 159 B1R0.1 [Li]Cl HY-Y0649D [2,0,0,0,0,0|2,0,0]=4 160 B1R0.1 [Na]Cl HY-Y0344D [2,0,0,0,0,0|2,0,0]=4 161 B1R0.1 [Na]Cl HY-Y0344I [2,0,0,0,0,0|2,0,0]=4 162 B1R0.1 [Na]I HY-B1770 [2,0,0,0,0,0|2,0,0]=4 163 B1R0.1 [Na][Na] HY-W094507 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.2 CB(O)O HY-34449 [1,1,0,0,0,0|1,0,1]=4 165 B3R0.2 CC(=O)O HY-13443A [1,1,0,0,0,0|0,0,0]=2 166 B3R0.2 CC(=O)O HY-75153 [1,1,0,0,0,0|0,0,0]=2 167 B3R0.2 CC(=O)O HY-P0052A [1,1,0,0,0,0|0,0,0]=2 168 B3R0.2 CC(=O)O HY-W094353 [1,1,0,0,0,0|0,0,0]=2 169 B3R0.2 CC(=O)O HY-Y0849C [1,1,0,0,0,0|0,0,0]=2 170 B3R0.2 CC(C)[O-] HY-133023 [1,1,0,0,0,0|0,0,1]=3 171 B3R0.2 CC(N)=O HY-Y0946 [1,1,0,0,0,0|0,0,0]=2 172 B3R0.2 CC(N)=S HY-Y0698 [1,1,0,0,0,0|0,1,0]=3 173 B3R0.2 CN(C)C HY-Y0504 [1,1,0,0,0,0|1,0,1]=4 174 B3R0.2 CN(C)C HY-Y0504R [1,1,0,0,0,0|1,0,1]=4 175 B3R0.2 CS(C)=O HY-Y0320R [1,1,0,0,0,0|1,0,0]=3 176 B3R0.2 C[13C](=O)O HY-W772341 [1,1,0,0,0,0|0,0,0]=2 177 B3R0.2 C[Cr](C)C HY-D1163 [1,1,0,0,0,0|1,0,1]=4 178 B3R0.2 N=C(N)N HY-B0178A [1,1,0,0,0,0|2,0,0]=4 179 B3R0.2 N=C(N)N HY-D0841 [1,1,0,0,0,0|2,0,0]=4 180 B3R0.2 NC(N)=O HY-Y0271 [1,1,0,0,0,0|1,0,0]=3 181 B3R0.2 NC(N)=O HY-Y0271R [1,1,0,0,0,0|1,0,0]=3 182 B3R0.2 N[13C](N)=O HY-118877 [1,1,0,0,0,0|1,0,0]=3 183 B3R0.2 O=[13C]([O-])O HY-Y0287AS [1,1,0,0,0,0|1,0,0]=3 184 B3R0.2 O=[N+]([O-])[Ag] HY-W034067 [1,1,0,0,0,0|2,0,0]=4 185 B3R0.2 O=[Si]([O-])[O-] HY-B2205 [1,1,0,0,0,0|1,1,0]=4 186 B3R0.2 [13CH3]N([13CH3])[13CH3] HY-W585905 [1,1,0,0,0,0|1,0,1]=4 187 B3R0.2 [15NH2]C([15NH2])=O HY-Y0271S [1,1,0,0,0,0|1,0,0]=3 188 B3R0.2 [15NH2][13C]([15NH2])=O HY-Y0271S2 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.1 C#CCC(=O)O HY-W004784 [0,2,0,0,0,0|0,0,1]=3 190 B5R0.1 C=CCC(=O)O HY-W068697 [0,2,0,0,0,0|0,0,1]=3 191 B5R0.1 CC(=O)CCO HY-W051287 [0,2,0,0,0,0|0,0,0]=2 192 B5R0.1 CC(=O)NCO HY-W024564 [0,2,0,0,0,0|1,0,0]=3 193 B5R0.1 CC(C)=CC=O HY-34409 [0,2,0,0,0,0|0,0,1]=3 194 B5R0.1 CC(C)=CCO HY-W013035 [0,2,0,0,0,0|0,0,2]=4 195 B5R0.1 CC(N)CC#N HY-W018936 [0,2,0,0,0,0|1,0,1]=4 196 B5R0.1 CC(O)CCO HY-77490A [0,2,0,0,0,0|0,0,2]=4 197 B5R0.1 CCCB(O)O HY-W007470 [0,2,0,0,0,0|0,0,2]=4 198 B5R0.1 CCCC(N)=O HY-W088319 [0,2,0,0,0,0|0,0,0]=2 199 B5R0.1 CCOC(N)=O HY-B1207 [0,2,0,0,0,0|0,0,0]=2 200 B5R0.1 CCOC(N)=O HY-B1207R [0,2,0,0,0,0|0,0,0]=2 201 B5R0.1 CCSC(=N)N HY-101252 [0,2,0,0,0,0|1,0,0]=3 202 B5R0.1 CN(C)CC=O HY-100061A [0,2,0,0,0,0|0,0,0]=2 203 B5R0.1 CNCC(=O)O HY-101037 [0,2,0,0,0,0|0,0,0]=2 204 B5R0.1 CNCC(=O)O HY-101037R [0,2,0,0,0,0|0,0,0]=2 205 B5R0.1 COCC(=O)O HY-Y1009 [0,2,0,0,0,0|0,0,0]=2 206 B5R0.1 C[C@@H](O)CCO HY-77490 [0,2,0,0,0,0|0,0,2]=4 207 B5R0.1 C\C=C\C(=O)O HY-Y1644 [0,2,0,0,0,0|0,0,1]=3 208 B5R0.1 NCCC(=O)O HY-N0230 [0,2,0,0,0,0|0,0,0]=2 209 B5R0.1 NCCS(=O)O HY-100803 [0,2,0,0,0,0|1,0,0]=3 210 B5R0.1 NOCC(=O)O HY-107994 [0,2,0,0,0,0|1,0,0]=3 211 B5R0.3 CCC(=O)CO HY-W005327 [0,2,0,0,0,0|0,0,0]=2 212 B5R0.3 CCC(=O)O[Na] HY-B1773A [0,2,0,0,0,0|0,0,0]=2 213 B5R0.3 CCC(C)C=O HY-W020678 [0,2,0,0,0,0|0,0,0]=2 214 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [0,2,0,0,0,0|0,0,0]=2 215 B5R0.3 CNC(=S)NC HY-W027951 [0,2,0,0,0,0|1,1,0]=4 216 B5R0.3 COC(=O)CN HY-Y1789 [0,2,0,0,0,0|1,0,0]=3 217 B5R0.3 NCC(=O)O[Na] HY-W015946 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.3 NCC(O)CO HY-W002040 [0,2,0,0,0,0|0,0,2]=4 219 B5R0.3 NC[C@@H](O)CCl HY-W108649 [0,2,0,0,0,0|1,0,1]=4 220 B5R0.3 O=C(CI)O[Na] HY-D0849 [0,2,0,0,0,0|1,0,0]=3 221 B5R0.3 O=C(CO)CO HY-Y0335 [0,2,0,0,0,0|1,0,0]=3 222 B5R0.3 O=C(CO)O[Na] HY-W088011B [0,2,0,0,0,0|1,0,0]=3 223 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,2,0,0,0,0|1,0,0]=3 224 B5R0.3 O=CC(O)CO HY-128748 [0,2,0,0,0,0|0,0,0]=2 225 B5R0.3 O=C[C@@H](O)CO HY-W008504 [0,2,0,0,0,0|0,0,0]=2 226 B5R0.3 OC(CBr)CBr HY-W014092 [0,2,0,0,0,0|1,0,1]=4 227 B5R0.3 OCC(O)CO HY-B1659 [0,2,0,0,0,0|0,0,2]=4 228 B5R0.3 OCC(O)CO HY-B1659R [0,2,0,0,0,0|0,0,2]=4 229 B5R0.3 OCC(S)CS HY-B1285 [0,2,0,0,0,0|0,0,2]=4 230 B5R0.4 CC(C)(N)CO HY-W013027 [0,2,0,0,0,0|0,0,2]=4 231 B5R0.4 CC(C)(N)CO HY-W013027A [0,2,0,0,0,0|0,0,2]=4 232 B5R0.4 CC(C)(O)CN HY-33948 [0,2,0,0,0,0|1,0,1]=4 233 B5R0.4 CC[N+](C)(C)C HY-W101257 [0,2,0,0,0,0|2,0,0]=4 234 B5R0.4 COS(C)(=O)=O HY-W004702 [0,2,0,0,0,0|2,0,0]=4 235 B5R0.4 COS(C)(=O)=O HY-W004702R [0,2,0,0,0,0|2,0,0]=4 236 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,2,0,0,0,0|0,0,1]=3 237 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,2,0,0,0,0|0,0,1]=3 238 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,2,0,0,0,0|0,0,1]=3 239 B5R0.5 CC(=O)N(C)C HY-W042416 [0,2,0,0,0,0|1,0,0]=3 240 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,2,0,0,0,0|0,0,1]=3 241 B5R0.5 CC(N)C(=O)O HY-N2362 [0,2,0,0,0,0|0,0,0]=2 242 B5R0.5 CC(O)C(=O)O HY-B1530 [0,2,0,0,0,0|0,0,0]=2 243 B5R0.5 CC(O)C(=O)O HY-B2227 [0,2,0,0,0,0|0,0,0]=2 244 B5R0.5 CC(O)C(=O)O HY-B2227D [0,2,0,0,0,0|0,0,0]=2 245 B5R0.5 CC(O)C(=O)O HY-B2227R [0,2,0,0,0,0|0,0,0]=2 246 B5R0.5 CC(O)C(=O)O HY-W250313 [0,2,0,0,0,0|0,0,0]=2 247 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,2,0,0,0,0|0,0,0]=2 248 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,2,0,0,0,0|0,0,0]=2 249 B5R0.5 CC(O)C(C)O HY-128387 [0,2,0,0,0,0|0,0,2]=4 250 B5R0.5 CC(O)C(C)O HY-128387R [0,2,0,0,0,0|0,0,2]=4 251 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [0,2,0,0,0,0|0,0,2]=4 252 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,2,0,0,0,0|0,0,0]=2 253 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,2,0,0,0,0|0,0,0]=2 254 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,2,0,0,0,0|0,0,0]=2 255 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,2,0,0,0,0|1,0,1]=4 256 B5R0.5 NC(=O)C(Br)Br HY-133665 [0,2,0,0,0,0|1,0,0]=3 257 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,2,0,0,0,0|1,0,1]=4 258 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,2,0,0,0,0|1,0,1]=4 259 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,2,0,0,0,0|1,0,1]=4 260 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,2,0,0,0,0|1,0,1]=4 261 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,2,0,0,0,0|1,0,0]=3 262 B5R0.5 O=C(O)C(O)O HY-W019724 [0,2,0,0,0,0|1,0,0]=3 263 B5R0.5 [2H]C(=O)N([2H])[2H] HY-Y0842S1 [0,2,0,0,0,0|2,0,0]=4 264 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,2,0,0,0,0|1,0,0]=3 265 B5R0.2 C#CCCCO HY-W010642 [0,2,0,0,0,0|0,0,2]=4 266 B5R0.2 CCCSSC HY-N7436 [0,2,0,0,0,0|0,1,1]=4 267 B5R0.2 CCSCCCl HY-W199190 [0,2,0,0,0,0|1,0,1]=4 268 B5R0.2 CC\C=C/CO HY-W030347 [0,2,0,0,0,0|0,0,1]=3 269 B5R0.2 CC\C=C\C=O HY-W111375 [0,2,0,0,0,0|0,0,0]=2 270 B5R0.2 NCCCCO HY-W002041 [0,2,0,0,0,0|0,0,2]=4 271 B5R0.2 OC\C=C/CO HY-W027631 [0,2,0,0,0,0|0,0,2]=4 272 B5R0.2 [2H]OCCO[2H] HY-Y0338S [0,2,0,0,0,0|2,0,0]=4 273 B5R0.2 [N-]=[N+]=NCCO HY-138461 [0,2,0,0,0,0|2,0,0]=4 274 B5R1.2 FC1CNC1 HY-W001606 [0,1,0,1,0,0|1,0,1]=4 275 B5R1.2 IC1COC1 HY-W016306 [0,1,0,1,0,0|0,0,2]=4 276 B5R1.2 O=C1CCO1 HY-107931 [0,1,0,1,0,0|0,0,0]=2 277 B5R1.2 O=C1COC1 HY-76440 [0,1,0,1,0,0|0,0,0]=2 278 B5R1.2 OC1CCC1 HY-W013042 [0,1,0,1,0,0|0,0,2]=4 279 B5R1.2 OC1CNC1 HY-40144 [0,1,0,1,0,0|0,0,2]=4 280 B5R1.3 BrCC1CC1 HY-Y1100 [0,1,0,1,0,0|1,0,1]=4 281 B5R1.3 OCC1CO1 HY-Y1010 [0,1,0,1,0,0|0,0,2]=4