0 B3R0.2 BrC(Br)I RT13513 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 BrP(Br)Br RT1280 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 C(F)(Br)Br HL2045 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 C=C(C)C HL1444 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 C=C(C)Cl LQ1041 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 C=C(Cl)Cl LQ0092 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 C=C(F)F LQ4457 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.2 C=[N+](C)C LQ4806 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.2 CB(C)Br LQ2820 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.2 CC(=N)N RT17426 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(=O)F LQ1042 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.2 CC(=O)O JZ3704 [0,0,0,0,0,0|0,0,0]=0 12 B3R0.2 CC(=O)O XJ0034 [0,0,0,0,0,0|0,0,0]=0 13 B3R0.2 CC(=O)[O-] HL0535 [0,0,0,0,0,0|0,0,1]=1 14 B3R0.2 CC(=O)[O-] HL1089 [0,0,0,0,0,0|0,0,1]=1 15 B3R0.2 CC(=O)[O-] HL1536 [0,0,0,0,0,0|0,0,1]=1 16 B3R0.2 CC(=O)[O-] HL1556 [0,0,0,0,0,0|0,0,1]=1 17 B3R0.2 CC(=O)[O-] HL1980 [0,0,0,0,0,0|0,0,1]=1 18 B3R0.2 CC(=O)[O-] JZ2733 [0,0,0,0,0,0|0,0,1]=1 19 B3R0.2 CC(=O)[O-] JZ3035 [0,0,0,0,0,0|0,0,1]=1 20 B3R0.2 CC(=O)[O-] JZ4063 [0,0,0,0,0,0|0,0,1]=1 21 B3R0.2 CC(=O)[O-] JZ4064 [0,0,0,0,0,0|0,0,1]=1 22 B3R0.2 CC(=O)[O-] JZ5083 [0,0,0,0,0,0|0,0,1]=1 23 B3R0.2 CC(=O)[O-] JZ5622 [0,0,0,0,0,0|0,0,1]=1 24 B3R0.2 CC(=O)[O-] LL2757 [0,0,0,0,0,0|0,0,1]=1 25 B3R0.2 CC(=O)[O-] LQ1063 [0,0,0,0,0,0|0,0,1]=1 26 B3R0.2 CC(=O)[O-] LQ1064 [0,0,0,0,0,0|0,0,1]=1 27 B3R0.2 CC(=O)[O-] LQ1143 [0,0,0,0,0,0|0,0,1]=1 28 B3R0.2 CC(=O)[O-] LQ1294 [0,0,0,0,0,0|0,0,1]=1 29 B3R0.2 CC(=O)[O-] LQ1601 [0,0,0,0,0,0|0,0,1]=1 30 B3R0.2 CC(=O)[O-] LQ2985 [0,0,0,0,0,0|0,0,1]=1 31 B3R0.2 CC(=O)[O-] LQ3945 [0,0,0,0,0,0|0,0,1]=1 32 B3R0.2 CC(=O)[O-] LQ4020 [0,0,0,0,0,0|0,0,1]=1 33 B3R0.2 CC(=O)[O-] LQ5168 [0,0,0,0,0,0|0,0,1]=1 34 B3R0.2 CC(=O)[O-] LT7507 [0,0,0,0,0,0|0,0,1]=1 35 B3R0.2 CC(=O)[O-] LT7843 [0,0,0,0,0,0|0,0,1]=1 36 B3R0.2 CC(=O)[O-] XJ0536 [0,0,0,0,0,0|0,0,1]=1 37 B3R0.2 CC(=O)[O-] XJ0713 [0,0,0,0,0,0|0,0,1]=1 38 B3R0.2 CC(=O)[O-] XJ0970 [0,0,0,0,0,0|0,0,1]=1 39 B3R0.2 CC(=O)[O-] XJ2980 [0,0,0,0,0,0|0,0,1]=1 40 B3R0.2 CC(=O)[O-] YH65813 [0,0,0,0,0,0|0,0,1]=1 41 B3R0.2 CC(C)I LQ0090 [0,0,0,0,0,0|2,0,1]=3 42 B3R0.2 CC(C)S LQ0091 [0,0,0,0,0,0|1,1,1]=3 43 B3R0.2 CC(C)[O-] JZ4937 [0,0,0,0,0,0|1,0,2]=3 44 B3R0.2 CC(C)[O-] JZ5329 [0,0,0,0,0,0|1,0,2]=3 45 B3R0.2 CC(C)[O-] JZ5330 [0,0,0,0,0,0|1,0,2]=3 46 B3R0.2 CC(C)[O-] JZ5591 [0,0,0,0,0,0|1,0,2]=3 47 B3R0.2 CC(C)[O-] LL1978 [0,0,0,0,0,0|1,0,2]=3 48 B3R0.2 CC(C)[O-] LQ3154 [0,0,0,0,0,0|1,0,2]=3 49 B3R0.2 CC(C)[O-] LQ3155 [0,0,0,0,0,0|1,0,2]=3 50 B3R0.2 CC(C)[O-] LQ3188 [0,0,0,0,0,0|1,0,2]=3 51 B3R0.2 CC(C)[O-] LQ4092 [0,0,0,0,0,0|1,0,2]=3 52 B3R0.2 CC(C)[O-] XJ2702 [0,0,0,0,0,0|1,0,2]=3 53 B3R0.2 CC(C)[O-] XJ6011 [0,0,0,0,0,0|1,0,2]=3 54 B3R0.2 CC(Cl)Br LQ1089 [0,0,0,0,0,0|2,0,1]=3 55 B3R0.2 CC(Cl)Cl HL0746 [0,0,0,0,0,0|2,0,1]=3 56 B3R0.2 CC(Cl)Cl RT17620 [0,0,0,0,0,0|2,0,1]=3 57 B3R0.2 CC(F)F LQ0094 [0,0,0,0,0,0|2,0,1]=3 58 B3R0.2 CN(C)C JZ2219 [0,0,0,0,0,0|3,0,0]=3 59 B3R0.2 CP(C)C LL1775 [0,0,0,0,0,0|3,0,0]=3 60 B3R0.2 CS(C)=O XJ0069 [0,0,0,0,0,0|2,0,0]=2 61 B3R0.2 C[As](C)I RT5919 [0,0,0,0,0,0|3,0,0]=3 62 B3R0.2 C[As](I)I RT16135 [0,0,0,0,0,0|3,0,0]=3 63 B3R0.2 C[S+](C)C HL2475 [0,0,0,0,0,0|3,0,0]=3 64 B3R0.2 C[S+](C)C JZ1912 [0,0,0,0,0,0|3,0,0]=3 65 B3R0.2 C[SiH](C)C XJ1513 [0,0,0,0,0,0|2,1,0]=3 66 B3R0.2 C[Sn](C)=O HL2174 [0,0,0,0,0,0|2,0,0]=2 67 B3R0.2 ClC(Br)Br RT17718 [0,0,0,0,0,0|3,0,1]=4 68 B3R0.2 ClC(Br)I RT13512 [0,0,0,0,0,0|3,0,1]=4 69 B3R0.2 ClC(Cl)Br RT17719 [0,0,0,0,0,0|3,0,1]=4 70 B3R0.2 ClC(Cl)Cl XJ0068 [0,0,0,0,0,0|3,0,1]=4 71 B3R0.2 ClC(Cl)I RT13514 [0,0,0,0,0,0|3,0,1]=4 72 B3R0.2 ClC(I)I RT13516 [0,0,0,0,0,0|3,0,1]=4 73 B3R0.2 Cl[As](Cl)Cl RT17628 [0,0,0,0,0,0|4,0,0]=4 74 B3R0.2 Cl[Pt-](Cl)Cl RT18917 [0,0,0,0,0,0|4,0,0]=4 75 B3R0.2 Cl[Rh](Cl)Cl YH45390 [0,0,0,0,0,0|4,0,0]=4 76 B3R0.2 Cl[Ti](Cl)Cl YH18098 [0,0,0,0,0,0|4,0,0]=4 77 B3R0.2 FB(F)F LQ0087 [0,0,0,0,0,0|4,0,0]=4 78 B3R0.2 IC(I)I RT1156 [0,0,0,0,0,0|3,0,1]=4 79 B3R0.2 N=C(N)N LQ1088 [0,0,0,0,0,0|3,0,0]=3 80 B3R0.2 N=C(N)N LT7842 [0,0,0,0,0,0|3,0,0]=3 81 B3R0.2 N=C(N)N RT4888 [0,0,0,0,0,0|3,0,0]=3 82 B3R0.2 N=C(N)N RT4904 [0,0,0,0,0,0|3,0,0]=3 83 B3R0.2 N=C(N)N XJ6746 [0,0,0,0,0,0|3,0,0]=3 84 B3R0.2 NC(=S)[S-] HL1919 [0,0,0,0,0,0|1,2,0]=3 85 B3R0.2 NC(N)=S XJ0020 [0,0,0,0,0,0|2,1,0]=3 86 B3R0.2 N[13C](=O)N RT0355 [0,0,0,0,0,0|2,0,0]=2 87 B3R0.2 O=C([O-])[O-] JZ2955 [0,0,0,0,0,0|1,0,1]=2 88 B3R0.2 O=C([O-])[O-] JZ4994 [0,0,0,0,0,0|1,0,1]=2 89 B3R0.2 O=C([O-])[O-] LL1580 [0,0,0,0,0,0|1,0,1]=2 90 B3R0.2 O=C([O-])[O-] LQ1146 [0,0,0,0,0,0|1,0,1]=2 91 B3R0.2 O=C([O-])[O-] LQ2984 [0,0,0,0,0,0|1,0,1]=2 92 B3R0.2 O=C([O-])[O-] LQ4935 [0,0,0,0,0,0|1,0,1]=2 93 B3R0.2 O=C([O-])[O-] LQ4937 [0,0,0,0,0,0|1,0,1]=2 94 B3R0.2 O=C([O-])[O-] XJ3004 [0,0,0,0,0,0|1,0,1]=2 95 B3R0.2 O=C([O-])[O-] XJ3140 [0,0,0,0,0,0|1,0,1]=2 96 B3R0.2 O=C([O-])[O-] XJ3897 [0,0,0,0,0,0|1,0,1]=2 97 B3R0.2 O=C([O-])[O-] XJ4823 [0,0,0,0,0,0|1,0,1]=2 98 B3R0.2 O=C([O-])[O-] XJ5330 [0,0,0,0,0,0|1,0,1]=2 99 B3R0.2 O=C([O-])[O-] XJ5339 [0,0,0,0,0,0|1,0,1]=2 100 B3R0.2 O=C([O-])[O-] XJ6154 [0,0,0,0,0,0|1,0,1]=2 101 B3R0.2 O=C([O-])[O-] YH06400 [0,0,0,0,0,0|1,0,1]=2 102 B3R0.2 O=P(=O)[O-] YH14063 [0,0,0,0,0,0|2,0,1]=3 103 B3R0.2 O=[N+]([O-])[O-] RT17385 [0,0,0,0,0,0|2,0,1]=3 104 B3R0.2 O=[N+]([O-])[O-] YH20922 [0,0,0,0,0,0|2,0,1]=3 105 B3R0.2 O=[N+]([O-])[O-] YH32596 [0,0,0,0,0,0|2,0,1]=3 106 B3R0.2 O=[N+]([O-])[O-] YH42140 [0,0,0,0,0,0|2,0,1]=3 107 B3R0.2 O=[Te]([O-])[O-] RT18552 [0,0,0,0,0,0|2,0,1]=3 108 B3R0.2 O=[Zr](Cl)Cl YH18071 [0,0,0,0,0,0|3,0,0]=3 109 B3R0.2 S=C(Cl)Cl RT1087 [0,0,0,0,0,0|2,1,0]=3 110 B3R0.2 [13CH3][13C](N)=O RT4752 [0,0,0,0,0,0|1,0,0]=1 111 B2R0.1 C#C[Na] LQ1600 [1,0,0,0,0,0|1,0,2]=4 112 B2R0.1 C=C=O LQ0834 [1,0,0,0,0,0|0,0,2]=3 113 B2R0.1 C=CCl XJ3453 [1,0,0,0,0,0|1,0,1]=3 114 B2R0.1 C=CI LQ1085 [1,0,0,0,0,0|1,0,1]=3 115 B2R0.1 C=C[CH2-] XJ3675 [1,0,0,0,0,0|1,0,1]=3 116 B2R0.1 CC#N LL1068 [1,0,0,0,0,0|1,0,1]=3 117 B2R0.1 CC#N LQ3779 [1,0,0,0,0,0|1,0,1]=3 118 B2R0.1 CC=O LQ0081 [1,0,0,0,0,0|0,0,0]=1 119 B2R0.1 CCN LQ1083 [1,0,0,0,0,0|1,0,1]=3 120 B2R0.1 CCS LQ0071 [1,0,0,0,0,0|0,1,1]=3 121 B2R0.1 CC[O-] HL0532 [1,0,0,0,0,0|0,0,2]=3 122 B2R0.1 CC[O-] HL2878 [1,0,0,0,0,0|0,0,2]=3 123 B2R0.1 CC[O-] HL4901 [1,0,0,0,0,0|0,0,2]=3 124 B2R0.1 CC[O-] JZ1966 [1,0,0,0,0,0|0,0,2]=3 125 B2R0.1 CC[O-] JZ2286 [1,0,0,0,0,0|0,0,2]=3 126 B2R0.1 CC[O-] JZ4882 [1,0,0,0,0,0|0,0,2]=3 127 B2R0.1 CC[O-] XJ5943 [1,0,0,0,0,0|0,0,2]=3 128 B2R0.1 CSC JZ3723 [1,0,0,0,0,0|2,0,0]=3 129 B2R0.1 C[Hg]O LQ1729 [1,0,0,0,0,0|1,0,0]=2 130 B2R0.1 C[N-]C JZ2361 [1,0,0,0,0,0|2,0,0]=3 131 B2R0.1 C[Se]C LQ1086 [1,0,0,0,0,0|2,0,0]=3 132 B2R0.1 C[SiH2]Cl XJ1512 [1,0,0,0,0,0|1,1,0]=3 133 B2R0.1 ClCBr RT13506 [1,0,0,0,0,0|2,0,1]=4 134 B2R0.1 Cl[Pt]Cl YH20296 [1,0,0,0,0,0|3,0,0]=4 135 B2R0.1 FCI RT17533 [1,0,0,0,0,0|2,0,1]=4 136 B2R0.1 N#CBr RT17557 [1,0,0,0,0,0|2,0,1]=4 137 B2R0.1 N#C[O-] HL0078 [1,0,0,0,0,0|1,0,2]=4 138 B2R0.1 N#C[S-] HL0127 [1,0,0,0,0,0|1,1,1]=4 139 B2R0.1 N#C[S-] LQ2029 [1,0,0,0,0,0|1,1,1]=4 140 B2R0.1 N#C[S-] XJ1896 [1,0,0,0,0,0|1,1,1]=4 141 B2R0.1 NCN XJ5787 [1,0,0,0,0,0|2,0,1]=4 142 B2R0.1 O=C=O HL1493 [1,0,0,0,0,0|0,0,2]=3 143 B2R0.1 O=CO JZ5436 [1,0,0,0,0,0|0,0,0]=1 144 B2R0.1 O=C[O-] HL2500 [1,0,0,0,0,0|0,0,1]=2 145 B2R0.1 O=C[O-] LQ1036 [1,0,0,0,0,0|0,0,1]=2 146 B2R0.1 O=C[O-] LQ1425 [1,0,0,0,0,0|0,0,1]=2 147 B2R0.1 O=C[O-] LQ2986 [1,0,0,0,0,0|0,0,1]=2 148 B2R0.1 O=C[O-] XJ2402 [1,0,0,0,0,0|0,0,1]=2 149 B2R0.1 O=C[O-] XJ3084 [1,0,0,0,0,0|0,0,1]=2 150 B2R0.1 O=[15N][O-] RT1049 [1,0,0,0,0,0|1,0,1]=3 151 B2R0.1 O=[Pt]=O RT17671 [1,0,0,0,0,0|1,0,1]=3 152 B2R0.1 [18O]=N[18O-] RT1046 [1,0,0,0,0,0|1,0,1]=3 153 B2R0.1 [BH3-]C#N RT17507 [1,0,0,0,0,0|2,0,1]=4 154 B2R0.1 [N-]=[N+]=[N-] RT0489 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 BrCC(Br)Br LL0122 [0,1,0,0,0,0|2,0,1]=4 156 B4R0.1 C#CC(=C)C LL0127 [0,1,0,0,0,0|2,0,0]=3 157 B4R0.1 C#CC(=O)O LQ0858 [0,1,0,0,0,0|0,0,1]=2 158 B4R0.1 C#CC(=O)[O-] RT0385 [0,1,0,0,0,0|0,0,2]=3 159 B4R0.1 C#CC(C)O JZ2135 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.1 C#CC(N)=O LQ3276 [0,1,0,0,0,0|1,0,1]=3 161 B4R0.1 C#C[C@H](C)N RT3964 [0,1,0,0,0,0|2,0,1]=4 162 B4R0.1 C(=O)N(C)C YH13617 [0,1,0,0,0,0|2,0,0]=3 163 B4R0.1 C=C(Br)CC LQ4356 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.1 C=C(C)C#N RT1064 [0,1,0,0,0,0|2,0,0]=3 165 B4R0.1 C=C(C)C=O RT1202 [0,1,0,0,0,0|1,0,0]=2 166 B4R0.1 C=C(C)CC LQ1059 [0,1,0,0,0,0|2,0,0]=3 167 B4R0.1 C=C(C)OC HL1466 [0,1,0,0,0,0|1,0,0]=2 168 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,1,0,0,0,0|2,0,0]=3 169 B4R0.1 C=C(Cl)C#N HL0543 [0,1,0,0,0,0|2,0,1]=4 170 B4R0.1 C=C(N)NN LQ4301 [0,1,0,0,0,0|2,0,1]=4 171 B4R0.1 C=C=C(C)C LQ1135 [0,1,0,0,0,0|2,0,0]=3 172 B4R0.1 C=CC(=O)O LL0145 [0,1,0,0,0,0|0,0,1]=2 173 B4R0.1 C=CC(=O)O LQ4543 [0,1,0,0,0,0|0,0,1]=2 174 B4R0.1 C=CC(C)Cl LQ1061 [0,1,0,0,0,0|2,0,1]=4 175 B4R0.1 C=C[N+](=O)[O-] XJ2515 [0,1,0,0,0,0|1,0,2]=4 176 B4R0.1 CC(=O)CBr LQ1137 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.1 CC(=O)CN LX3064 [0,1,0,0,0,0|1,0,0]=2 178 B4R0.1 CC(=O)NBr XJ0071 [0,1,0,0,0,0|1,0,0]=2 179 B4R0.1 CC(=O)NN LQ1629 [0,1,0,0,0,0|1,0,0]=2 180 B4R0.1 CC(Br)CBr LL0123 [0,1,0,0,0,0|2,0,1]=4 181 B4R0.1 CC(Br)CCl XJ2375 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.1 CC(C)CI HL1913 [0,1,0,0,0,0|2,0,1]=4 183 B4R0.1 CC(C)CS HL1915 [0,1,0,0,0,0|1,1,1]=4 184 B4R0.1 CC(C)NN LQ3967 [0,1,0,0,0,0|2,0,1]=4 185 B4R0.1 CC(C)NO LT5054 [0,1,0,0,0,0|1,0,1]=3 186 B4R0.1 CC(N)C#N LT6014 [0,1,0,0,0,0|2,0,1]=4 187 B4R0.1 CC(N)CN YH43801 [0,1,0,0,0,0|2,0,1]=4 188 B4R0.1 CC(N)CO JZ1400 [0,1,0,0,0,0|1,0,1]=3 189 B4R0.1 CC(O)CF YH01374 [0,1,0,0,0,0|1,0,1]=3 190 B4R0.1 CCB(O)O XJ2684 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.1 CCC(=O)Cl YH19012 [0,1,0,0,0,0|1,0,0]=2 192 B4R0.1 CCC(=O)[O-] HL1636 [0,1,0,0,0,0|0,0,1]=2 193 B4R0.1 CCC(=O)[O-] LQ1030 [0,1,0,0,0,0|0,0,1]=2 194 B4R0.1 CCC(C)I LT2185 [0,1,0,0,0,0|2,0,1]=4 195 B4R0.1 CC[C@@H](C)N JZ3698 [0,1,0,0,0,0|2,0,1]=4 196 B4R0.1 CN(C)N=O RT4837 [0,1,0,0,0,0|2,0,0]=3 197 B4R0.1 CNC(=S)[S-] LL0589 [0,1,0,0,0,0|0,2,0]=3 198 B4R0.1 CNC(=S)[S-] RT0569 [0,1,0,0,0,0|0,2,0]=3 199 B4R0.1 CNC(N)=S LQ1142 [0,1,0,0,0,0|1,1,0]=3 200 B4R0.1 COC(=N)N JZ2721 [0,1,0,0,0,0|2,0,0]=3 201 B4R0.1 COC(=O)Cl XJ0076 [0,1,0,0,0,0|1,0,0]=2 202 B4R0.1 COC(C)=N YH35544 [0,1,0,0,0,0|1,0,0]=2 203 B4R0.1 COC(C)C RT17590 [0,1,0,0,0,0|1,0,1]=3 204 B4R0.1 COC(Cl)Cl XJ2773 [0,1,0,0,0,0|2,0,1]=4 205 B4R0.1 COC(N)=O LQ1144 [0,1,0,0,0,0|1,0,0]=2 206 B4R0.1 COC(N)=[NH2+] LT5794 [0,1,0,0,0,0|2,0,0]=3 207 B4R0.1 COP(Cl)Cl XJ2430 [0,1,0,0,0,0|3,0,0]=4 208 B4R0.1 CSC(=N)N HL3579 [0,1,0,0,0,0|2,0,0]=3 209 B4R0.1 CSC(C)C LT4098 [0,1,0,0,0,0|1,1,1]=4 210 B4R0.1 CS[S+](C)C HL3015 [0,1,0,0,0,0|2,1,0]=4 211 B4R0.1 C[C@@H](N)CN YH65431 [0,1,0,0,0,0|2,0,1]=4 212 B4R0.1 C[C@@H](O)CN LT7643 [0,1,0,0,0,0|1,0,1]=3 213 B4R0.1 C[C@H](Cl)CO JZ5320 [0,1,0,0,0,0|1,0,1]=3 214 B4R0.1 C[C@H](Cl)CO XJ5311 [0,1,0,0,0,0|1,0,1]=3 215 B4R0.1 C[C@H](N)CO HL2372 [0,1,0,0,0,0|1,0,1]=3 216 B4R0.1 C[C@H](N)CO LT7580 [0,1,0,0,0,0|1,0,1]=3 217 B4R0.1 C[C@H](O)CCl JZ5302 [0,1,0,0,0,0|1,0,1]=3 218 B4R0.1 C\C=C(\C)Br JZ3724 [0,1,0,0,0,0|2,0,0]=3 219 B4R0.1 ClCC(Cl)Cl LL0136 [0,1,0,0,0,0|2,0,1]=4 220 B4R0.1 N=C(N)NN LT4835 [0,1,0,0,0,0|3,0,0]=4 221 B4R0.1 N=C(N)[NH2+]N LT4833 [0,1,0,0,0,0|3,0,0]=4 222 B4R0.1 N=C(O)CO LQ1140 [0,1,0,0,0,0|1,0,0]=2 223 B4R0.1 NC(=O)CCl RT4709 [0,1,0,0,0,0|1,0,0]=2 224 B4R0.1 NC(=O)NO RT4756 [0,1,0,0,0,0|1,0,0]=2 225 B4R0.1 NCC(=O)O JZ0518 [0,1,0,0,0,0|0,0,0]=1 226 B4R0.1 NCC(=O)O LQ3009 [0,1,0,0,0,0|0,0,0]=1 227 B4R0.1 NCC(=O)[O-] JZ1232 [0,1,0,0,0,0|0,0,1]=2 228 B4R0.1 NCC(=O)[O-] JZ1274 [0,1,0,0,0,0|0,0,1]=2 229 B4R0.1 NCC(=O)[O-] JZ1346 [0,1,0,0,0,0|0,0,1]=2 230 B4R0.1 NCC(=O)[O-] JZ1545 [0,1,0,0,0,0|0,0,1]=2 231 B4R0.1 NCC(=O)[O-] JZ1650 [0,1,0,0,0,0|0,0,1]=2 232 B4R0.1 NCC(N)=O HL0991 [0,1,0,0,0,0|1,0,0]=2 233 B4R0.1 NCC(N)=O LQ1139 [0,1,0,0,0,0|1,0,0]=2 234 B4R0.1 NN=C(N)N LQ1626 [0,1,0,0,0,0|3,0,0]=4 235 B4R0.1 NN=C(N)N LT4832 [0,1,0,0,0,0|3,0,0]=4 236 B4R0.1 NN=C(N)N XJ0073 [0,1,0,0,0,0|3,0,0]=4 237 B4R0.1 NNC(N)=O RT4773 [0,1,0,0,0,0|2,0,0]=3 238 B4R0.1 NNC(N)=S XJ0074 [0,1,0,0,0,0|2,1,0]=4 239 B4R0.1 O=C(O)CBr LL0143 [0,1,0,0,0,0|0,0,0]=1 240 B4R0.1 O=C(O)CF LT5771 [0,1,0,0,0,0|0,0,0]=1 241 B4R0.1 O=C([O-])CCl LQ2589 [0,1,0,0,0,0|0,0,1]=2 242 B4R0.1 O=C([O-])CO LQ2283 [0,1,0,0,0,0|0,0,1]=2 243 B4R0.1 O=C([O-])CO XJ5448 [0,1,0,0,0,0|0,0,1]=2 244 B4R0.1 O=C([O-])CS HL2967 [0,1,0,0,0,0|0,0,1]=2 245 B4R0.1 O=C([O-])CS LQ1436 [0,1,0,0,0,0|0,0,1]=2 246 B4R0.1 O=C([O-])CS XJ0675 [0,1,0,0,0,0|0,0,1]=2 247 B4R0.1 O=C([O-])CS XJ6033 [0,1,0,0,0,0|0,0,1]=2 248 B4R0.1 O=CC(=O)O LL0641 [0,1,0,0,0,0|0,0,1]=2 249 B4R0.1 O=CC(=O)O LQ1072 [0,1,0,0,0,0|0,0,1]=2 250 B4R0.1 O=CC(Cl)Br RT17654 [0,1,0,0,0,0|2,0,1]=4 251 B4R0.1 O=CC(Cl)Cl RT1083 [0,1,0,0,0,0|2,0,1]=4 252 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,1,0,0,0,0|1,0,1]=3 253 B4R0.1 O=[N+]([O-])CCl RT1188 [0,1,0,0,0,0|1,0,1]=3 254 B4R0.1 ON=C(Br)Br YH65574 [0,1,0,0,0,0|2,0,0]=3 255 B4R0.1 [13CH2]=[13CH][13C](N)=O RT0492 [0,1,0,0,0,0|1,0,1]=3 256 B4R0.1 [2H]OC(C)=O XJ1316 [0,1,0,0,0,0|0,0,0]=1 257 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,1,0,0,0,0|0,0,2]=3 258 B4R0.3 CC(C)(Br)Br LQ1091 [0,1,0,0,0,0|2,0,1]=4 259 B4R0.3 CC(C)(C)Br HL1886 [0,1,0,0,0,0|2,0,1]=4 260 B4R0.3 CC(C)(C)I LQ1044 [0,1,0,0,0,0|2,0,1]=4 261 B4R0.3 CC(C)(C)N LQ0109 [0,1,0,0,0,0|2,0,1]=4 262 B4R0.3 CC(C)(C)S LQ0111 [0,1,0,0,0,0|1,1,1]=4 263 B4R0.3 CC(C)(C)[O-] YH42977 [0,1,0,0,0,0|1,0,2]=4 264 B4R0.3 CC(C)(C)[O-] YH90670 [0,1,0,0,0,0|1,0,2]=4 265 B4R0.3 CC(Cl)(Cl)Cl HL1090 [0,1,0,0,0,0|2,0,1]=4 266 B4R0.3 CC(Cl)(Cl)Cl JZ5685 [0,1,0,0,0,0|2,0,1]=4 267 B4R0.3 CC(F)(F)Cl LQ0112 [0,1,0,0,0,0|2,0,1]=4 268 B4R0.3 CP(C)(=O)Cl XJ1549 [0,1,0,0,0,0|2,0,0]=3 269 B4R0.3 CP(C)(=S)Cl XJ1515 [0,1,0,0,0,0|2,1,0]=4 270 B4R0.3 CP(C)(C)=O HL0340 [0,1,0,0,0,0|2,0,0]=3 271 B4R0.3 CP(C)(C)=S JZ2008 [0,1,0,0,0,0|2,1,0]=4 272 B4R0.3 CS(=O)(=O)Cl RT17773 [0,1,0,0,0,0|1,0,1]=3 273 B4R0.3 CS(=O)(=O)F CJ2463 [0,1,0,0,0,0|1,0,1]=3 274 B4R0.3 CS(=O)(=O)[O-] LL1481 [0,1,0,0,0,0|1,0,1]=3 275 B4R0.3 CS(C)(=O)=S YH20749 [0,1,0,0,0,0|1,1,0]=3 276 B4R0.3 CS(N)(=O)=O YH53906 [0,1,0,0,0,0|1,0,1]=3 277 B4R0.3 C[As+](C)(C)C RT1258 [0,1,0,0,0,0|3,0,0]=4 278 B4R0.3 C[As](C)(=O)[O-] LT7052 [0,1,0,0,0,0|1,0,1]=3 279 B4R0.3 C[As](C)(=O)[O-] XJ3003 [0,1,0,0,0,0|1,0,1]=3 280 B4R0.3 C[As](C)(C)=O RT18761 [0,1,0,0,0,0|2,0,0]=3 281 B4R0.3 C[Ge](C)(C)C XJ1380 [0,1,0,0,0,0|2,1,0]=4 282 B4R0.3 C[Ge](Cl)(Cl)Cl XJ1514 [0,1,0,0,0,0|2,1,0]=4 283 B4R0.3 C[N+](C)(C)C HL3369 [0,1,0,0,0,0|3,0,0]=4 284 B4R0.3 C[N+](C)(C)C HL4142 [0,1,0,0,0,0|3,0,0]=4 285 B4R0.3 C[N+](C)(C)C JZ1791 [0,1,0,0,0,0|3,0,0]=4 286 B4R0.3 C[N+](C)(C)C JZ3462 [0,1,0,0,0,0|3,0,0]=4 287 B4R0.3 C[N+](C)(C)C JZ4899 [0,1,0,0,0,0|3,0,0]=4 288 B4R0.3 C[N+](C)(C)C JZ5137 [0,1,0,0,0,0|3,0,0]=4 289 B4R0.3 C[N+](C)(C)C LL1382 [0,1,0,0,0,0|3,0,0]=4 290 B4R0.3 C[N+](C)(C)C LL2539 [0,1,0,0,0,0|3,0,0]=4 291 B4R0.3 C[N+](C)(C)C LQ2217 [0,1,0,0,0,0|3,0,0]=4 292 B4R0.3 C[N+](C)(C)C LQ3412 [0,1,0,0,0,0|3,0,0]=4 293 B4R0.3 C[N+](C)(C)C LQ3869 [0,1,0,0,0,0|3,0,0]=4 294 B4R0.3 C[N+](C)(C)C LT7161 [0,1,0,0,0,0|3,0,0]=4 295 B4R0.3 C[N+](C)(C)C XJ0720 [0,1,0,0,0,0|3,0,0]=4 296 B4R0.3 C[N+](C)(C)C XJ1286 [0,1,0,0,0,0|3,0,0]=4 297 B4R0.3 C[N+](C)(C)C XJ6647 [0,1,0,0,0,0|3,0,0]=4 298 B4R0.3 C[N+](C)(C)C XJ6806 [0,1,0,0,0,0|3,0,0]=4 299 B4R0.3 C[P+](C)(C)C HL2758 [0,1,0,0,0,0|3,0,0]=4 300 B4R0.3 C[S+](C)(C)=O HL2856 [0,1,0,0,0,0|2,0,0]=3 301 B4R0.3 C[S+](C)(C)=O XJ1911 [0,1,0,0,0,0|2,0,0]=3 302 B4R0.3 C[S+](C)(C)=O XJ4842 [0,1,0,0,0,0|2,0,0]=3 303 B4R0.3 C[Si](C)(C)Cl JZ1345 [0,1,0,0,0,0|2,1,0]=4 304 B4R0.3 C[Si](C)(C)I JZ1572 [0,1,0,0,0,0|2,1,0]=4 305 B4R0.3 C[Si](C)(Cl)Cl LQ0118 [0,1,0,0,0,0|2,1,0]=4 306 B4R0.3 C[Si](C)(O)O RT18565 [0,1,0,0,0,0|0,1,1]=3 307 B4R0.3 C[Sn](C)(Br)Br HL2337 [0,1,0,0,0,0|3,0,0]=4 308 B4R0.3 C[Sn](C)(C)Br LQ1606 [0,1,0,0,0,0|3,0,0]=4 309 B4R0.3 C[Sn](C)(C)C LQ1093 [0,1,0,0,0,0|3,0,0]=4 310 B4R0.3 C[Sn](C)(C)O LQ0041 [0,1,0,0,0,0|2,0,0]=3 311 B4R0.3 C[Sn](C)(Cl)Cl XJ1304 [0,1,0,0,0,0|3,0,0]=4 312 B4R0.3 NS(=O)(=O)O LT4073 [0,1,0,0,0,0|2,0,0]=3 313 B4R0.3 O=Cl(=O)(=O)[O-] LQ3653 [0,1,0,0,0,0|2,0,1]=4 314 B4R0.3 O=Cl(=O)(=O)[O-] YH18543 [0,1,0,0,0,0|2,0,1]=4 315 B4R0.3 O=P(Br)(Br)Br YH18589 [0,1,0,0,0,0|3,0,0]=4 316 B4R0.3 O=P(O)(O)O YH18504 [0,1,0,0,0,0|2,0,0]=3 317 B4R0.3 O=P([O-])(O)O LT3681 [0,1,0,0,0,0|2,0,0]=3 318 B4R0.3 O=P([O-])(O)O XJ1897 [0,1,0,0,0,0|2,0,0]=3 319 B4R0.3 O=P([O-])([O-])[O-] LT3684 [0,1,0,0,0,0|2,0,1]=4 320 B4R0.3 O=P([O-])([O-])[O-] XJ6159 [0,1,0,0,0,0|2,0,1]=4 321 B4R0.3 O=S(=O)(O)O RT4964 [0,1,0,0,0,0|2,0,0]=3 322 B4R0.3 O=S(=O)(O)O RT4966 [0,1,0,0,0,0|2,0,0]=3 323 B4R0.3 O=S(=O)(O)O YH20408 [0,1,0,0,0,0|2,0,0]=3 324 B4R0.3 O=S(=O)([O-])[O-] LT3692 [0,1,0,0,0,0|2,0,1]=4 325 B4R0.3 O=S(=O)([O-])[O-] XJ5219 [0,1,0,0,0,0|2,0,1]=4 326 B4R0.3 O=S(O)(O)=S YH18531 [0,1,0,0,0,0|2,0,0]=3 327 B4R0.3 O=S([O-])([O-])=[Se] RT17505 [0,1,0,0,0,0|2,0,1]=4 328 B4R0.3 O=[Os](=O)([O-])[O-] YH20274 [0,1,0,0,0,0|2,0,1]=4 329 B4R0.3 O=[Te](=O)([O-])[O-] RT0900 [0,1,0,0,0,0|2,0,1]=4 330 B4R1.2 BrC1CC1 JZ2471 [0,0,0,1,0,0|2,0,1]=4 331 B4R1.2 CC1=CC1 LQ2353 [0,0,0,1,0,0|2,0,0]=3 332 B4R1.2 CC1CN1 RT4107 [0,0,0,1,0,0|2,0,1]=4 333 B4R1.2 C[C@H]1CO1 XJ4234 [0,0,0,1,0,0|1,0,1]=3 334 B4R1.2 ClC1CC1 XJ1608 [0,0,0,1,0,0|2,0,1]=4 335 B4R1.2 [C@@H]1(C)CO1 YH36802 [0,0,0,1,0,0|1,0,1]=3 336 B1R0.1 C#[O+] LQ4581 [2,0,0,0,0,0|0,0,2]=4 337 B1R0.1 C=C LQ3489 [2,0,0,0,0,0|0,0,1]=3 338 B1R0.1 C=C XJ3674 [2,0,0,0,0,0|0,0,1]=3 339 B1R0.1 C=O LQ3496 [2,0,0,0,0,0|0,0,0]=2 340 B1R0.1 C=O XJ5274 [2,0,0,0,0,0|0,0,0]=2 341 B1R0.1 CC RT18521 [2,0,0,0,0,0|0,0,1]=3 342 B1R0.1 C[O-] JZ4928 [2,0,0,0,0,0|0,0,1]=3 343 B1R0.1 C[O-] LQ2241 [2,0,0,0,0,0|0,0,1]=3 344 B1R0.1 C[O-] XJ1374 [2,0,0,0,0,0|0,0,1]=3 345 B1R0.1 C[O-] XJ1510 [2,0,0,0,0,0|0,0,1]=3 346 B1R0.1 C[O-] XJ3898 [2,0,0,0,0,0|0,0,1]=3 347 B1R0.1 Cl[Re] JZ4861 [2,0,0,0,0,0|2,0,0]=4 348 B1R0.1 O=O XJ3353 [2,0,0,0,0,0|0,0,1]=3 349 B1R0.1 [AlH3]#P LT3685 [2,0,0,0,0,0|2,0,0]=4 350 B1R0.1 [C-2]#C XJ5562 [2,0,0,0,0,0|0,0,2]=4 351 B1R0.1 [C-]#N HL0111 [2,0,0,0,0,0|1,0,1]=4 352 B1R0.1 [C-]#N JZ4995 [2,0,0,0,0,0|1,0,1]=4 353 B1R0.1 [C-]#N JZ5157 [2,0,0,0,0,0|1,0,1]=4 354 B1R0.1 [C-]#N LQ1026 [2,0,0,0,0,0|1,0,1]=4 355 B1R0.1 [C-]#N LQ1028 [2,0,0,0,0,0|1,0,1]=4 356 B1R0.1 [C-]#N XJ2023 [2,0,0,0,0,0|1,0,1]=4 357 B1R0.1 [C-]#N XJ3974 [2,0,0,0,0,0|1,0,1]=4 358 B1R0.1 [C-]#N XJ4013 [2,0,0,0,0,0|1,0,1]=4 359 B1R0.1 [C-]#N XJ4594 [2,0,0,0,0,0|1,0,1]=4 360 B1R0.1 [C-]#N YH06419 [2,0,0,0,0,0|1,0,1]=4 361 B1R0.1 [C-]#[Cr] LT4539 [2,0,0,0,0,0|1,0,1]=4 362 B1R0.1 [C-]#[O+] JZ3492 [2,0,0,0,0,0|0,0,2]=4 363 B1R0.1 [C-]#[O+] JZ4829 [2,0,0,0,0,0|0,0,2]=4 364 B1R0.1 [C-]#[O+] JZ4857 [2,0,0,0,0,0|0,0,2]=4 365 B1R0.1 [C-]#[O+] JZ5201 [2,0,0,0,0,0|0,0,2]=4 366 B1R0.1 [C-]#[O+] LQ3701 [2,0,0,0,0,0|0,0,2]=4 367 B1R0.1 [C-]#[O+] LQ3892 [2,0,0,0,0,0|0,0,2]=4 368 B1R0.1 [C-]#[O+] XJ3546 [2,0,0,0,0,0|0,0,2]=4 369 B1R0.1 [C-]#[O+] XJ4059 [2,0,0,0,0,0|0,0,2]=4 370 B1R0.1 [CH-]=O LQ4060 [2,0,0,0,0,0|0,0,1]=3 371 B3R0.1 C#CC=O YH10644 [1,1,0,0,0,0|0,0,1]=3 372 B3R0.1 C#CCCl XJ1172 [1,1,0,0,0,0|1,0,1]=4 373 B3R0.1 C#CCN RT16379 [1,1,0,0,0,0|1,0,1]=4 374 B3R0.1 C#CCN XJ2196 [1,1,0,0,0,0|1,0,1]=4 375 B3R0.1 C=C=CC HL0077 [1,1,0,0,0,0|1,0,0]=3 376 B3R0.1 C=CC=C HL1335 [1,1,0,0,0,0|1,0,1]=4 377 B3R0.1 C=CC=C XJ3466 [1,1,0,0,0,0|1,0,1]=4 378 B3R0.1 C=CC=O RT0993 [1,1,0,0,0,0|0,0,1]=3 379 B3R0.1 C=CCBr RT17399 [1,1,0,0,0,0|1,0,0]=3 380 B3R0.1 C=CCC HL1334 [1,1,0,0,0,0|1,0,0]=3 381 B3R0.1 C=CCI LQ1006 [1,1,0,0,0,0|1,0,0]=3 382 B3R0.1 C=CCN XJ6235 [1,1,0,0,0,0|1,0,0]=3 383 B3R0.1 C=CCO LT3384 [1,1,0,0,0,0|0,0,1]=3 384 B3R0.1 C=CCS LT3385 [1,1,0,0,0,0|1,0,0]=3 385 B3R0.1 C=C[Mg]Cl JZ2315 [1,1,0,0,0,0|1,0,1]=4 386 B3R0.1 CCC=S LT2311 [1,1,0,0,0,0|0,1,0]=3 387 B3R0.1 CCCCl XJ0925 [1,1,0,0,0,0|1,0,1]=4 388 B3R0.1 CCON LT7287 [1,1,0,0,0,0|0,0,1]=3 389 B3R0.1 CCSC XJ1178 [1,1,0,0,0,0|0,1,1]=4 390 B3R0.1 CN=C=O XJ1176 [1,1,0,0,0,0|0,0,1]=3 391 B3R0.1 CNOC LT1363 [1,1,0,0,0,0|1,0,0]=3 392 B3R0.1 COCCl RT17912 [1,1,0,0,0,0|1,0,1]=4 393 B3R0.1 CSC#N LQ1008 [1,1,0,0,0,0|1,0,1]=4 394 B3R0.1 CSCCl LQ2158 [1,1,0,0,0,0|1,0,1]=4 395 B3R0.1 C\C=N\O LT3638 [1,1,0,0,0,0|0,0,0]=2 396 B3R0.1 ClCCCl XJ5613 [1,1,0,0,0,0|1,0,1]=4 397 B3R0.1 Cl\C=C\Cl LQ0647 [1,1,0,0,0,0|1,0,1]=4 398 B3R0.1 FCCBr XJ1331 [1,1,0,0,0,0|1,0,1]=4 399 B3R0.1 N#CCI XJ1173 [1,1,0,0,0,0|1,0,1]=4 400 B3R0.1 N#CCN JZ2807 [1,1,0,0,0,0|1,0,1]=4 401 B3R0.1 N#CCN YH65552 [1,1,0,0,0,0|1,0,1]=4 402 B3R0.1 NCCCl XJ1403 [1,1,0,0,0,0|1,0,1]=4 403 B3R0.1 NCCN JZ1006 [1,1,0,0,0,0|1,0,1]=4 404 B3R0.1 NCCN JZ4960 [1,1,0,0,0,0|1,0,1]=4 405 B3R0.1 NCCN LT5412 [1,1,0,0,0,0|1,0,1]=4 406 B3R0.1 NCCN LT7506 [1,1,0,0,0,0|1,0,1]=4 407 B3R0.1 NCCN XJ4257 [1,1,0,0,0,0|1,0,1]=4 408 B3R0.1 NCCO XJ0576 [1,1,0,0,0,0|0,0,1]=3 409 B3R0.1 NCCS LL0054 [1,1,0,0,0,0|0,1,1]=4 410 B3R0.1 NCCS LQ0646 [1,1,0,0,0,0|0,1,1]=4 411 B3R0.1 NNC=O XJ1177 [1,1,0,0,0,0|1,0,0]=3 412 B3R0.1 OCCBr XJ0924 [1,1,0,0,0,0|0,0,1]=3 413 B3R0.1 OCCO LT7654 [1,1,0,0,0,0|0,0,1]=3 414 B3R0.1 [2H]OCC RT1050 [1,1,0,0,0,0|0,0,1]=3 415 B3R0.1 [Li]CCC LQ1980 [1,1,0,0,0,0|1,0,1]=4 416 B3R0.1 [O-]CC[O-] RT16375 [1,1,0,0,0,0|0,0,2]=4 417 B5R0.1 C#CCC(C)O LQ2032 [0,2,0,0,0,0|1,0,1]=4 418 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,2,0,0,0,0|0,0,0]=2 419 B5R0.1 C=C(C)OCC LT1730 [0,2,0,0,0,0|1,0,0]=3 420 B5R0.1 C=CCC(C)O XJ1184 [0,2,0,0,0,0|1,0,1]=4 421 B5R0.1 C=CCC(N)=O RT17513 [0,2,0,0,0,0|1,0,0]=3 422 B5R0.1 C=COC(C)=O LQ0375 [0,2,0,0,0,0|0,0,0]=2 423 B5R0.1 C=COC(C)=O LQ4456 [0,2,0,0,0,0|0,0,0]=2 424 B5R0.1 C=COC(C)=O XJ3468 [0,2,0,0,0,0|0,0,0]=2 425 B5R0.1 C=COC(N)=O RT4835 [0,2,0,0,0,0|1,0,0]=3 426 B5R0.1 CC#C[C@H](C)O HL4870 [0,2,0,0,0,0|1,0,1]=4 427 B5R0.1 CC(=O)CC#N HL2246 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.1 CC(=O)CC=O XJ1186 [0,2,0,0,0,0|0,0,1]=3 429 B5R0.1 CC(=O)CCS XJ5155 [0,2,0,0,0,0|0,1,0]=3 430 B5R0.1 CC(=O)\C=N\O LT6064 [0,2,0,0,0,0|0,0,0]=2 431 B5R0.1 CC(C)=CCBr YH91045 [0,2,0,0,0,0|2,0,0]=4 432 B5R0.1 CC(C)=CCN YH33589 [0,2,0,0,0,0|2,0,0]=4 433 B5R0.1 CC(C)=CCO LT3091 [0,2,0,0,0,0|1,0,0]=3 434 B5R0.1 CC(C)N=C=O LT4097 [0,2,0,0,0,0|1,0,1]=4 435 B5R0.1 CC(C)OC=O XJ1196 [0,2,0,0,0,0|1,0,1]=4 436 B5R0.1 CC(O)CC=O HL1375 [0,2,0,0,0,0|0,0,1]=3 437 B5R0.1 CCCC(=O)[O-] XJ2982 [0,2,0,0,0,0|0,0,1]=3 438 B5R0.1 CCCC(N)=O XJ0937 [0,2,0,0,0,0|1,0,0]=3 439 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,2,0,0,0,0|2,0,0]=4 440 B5R0.1 CCC[C@H](C)O LQ4668 [0,2,0,0,0,0|1,0,1]=4 441 B5R0.1 CCC[N+](=O)[O-] JZ5682 [0,2,0,0,0,0|1,0,1]=4 442 B5R0.1 CCC[N+](=O)[O-] LQ0374 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.1 CCNC(C)=O XJ1192 [0,2,0,0,0,0|1,0,0]=3 444 B5R0.1 CCNC(N)=O XJ1194 [0,2,0,0,0,0|1,0,0]=3 445 B5R0.1 CCNC(N)=O XJ3539 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.1 CCNC(N)=S XJ1195 [0,2,0,0,0,0|1,1,0]=4 447 B5R0.1 CCOC(=O)Cl XJ0938 [0,2,0,0,0,0|1,0,0]=3 448 B5R0.1 CCOC(=O)O XJ1147 [0,2,0,0,0,0|0,0,0]=2 449 B5R0.1 CCOC(=S)[S-] XJ0564 [0,2,0,0,0,0|0,2,0]=4 450 B5R0.1 CCOC(N)=O RT0197 [0,2,0,0,0,0|1,0,0]=3 451 B5R0.1 CCO[Si](=O)O JZ3510 [0,2,0,0,0,0|0,1,0]=3 452 B5R0.1 CCSC(=N)N RT19776 [0,2,0,0,0,0|2,0,0]=4 453 B5R0.1 CCSC(C)=O HL4138 [0,2,0,0,0,0|0,1,0]=3 454 B5R0.1 CCSC(C)=O XJ1197 [0,2,0,0,0,0|0,1,0]=3 455 B5R0.1 CC[NH2+]C(=N)N LQ2498 [0,2,0,0,0,0|2,0,0]=4 456 B5R0.1 CN(C)CCO HL1383 [0,2,0,0,0,0|2,0,0]=4 457 B5R0.1 CNCC(=O)O JZ4055 [0,2,0,0,0,0|0,0,0]=2 458 B5R0.1 CNCC(=O)O RT0428 [0,2,0,0,0,0|0,0,0]=2 459 B5R0.1 CNCC(=O)[O-] JZ1762 [0,2,0,0,0,0|0,0,1]=3 460 B5R0.1 COCC(C)=O LT7464 [0,2,0,0,0,0|0,0,0]=2 461 B5R0.1 COCC(C)N XJ5266 [0,2,0,0,0,0|1,0,1]=4 462 B5R0.1 COC[C@H](C)N XJ6713 [0,2,0,0,0,0|1,0,1]=4 463 B5R0.1 CSCC(=N)N YH65419 [0,2,0,0,0,0|2,0,0]=4 464 B5R0.1 CSCC(=O)O XJ2185 [0,2,0,0,0,0|0,0,0]=2 465 B5R0.1 C[C@@H](N)CCO RT0497 [0,2,0,0,0,0|1,0,1]=4 466 B5R0.1 C[C@@H](O)CCO SY0267 [0,2,0,0,0,0|0,0,2]=4 467 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,2,0,0,0,0|2,0,0]=4 468 B5R0.1 C\C(Cl)=C\CO RT17544 [0,2,0,0,0,0|1,0,0]=3 469 B5R0.1 C\C(I)=C/CO RT17534 [0,2,0,0,0,0|1,0,0]=3 470 B5R0.1 C\C(N)=C\C#N XJ1575 [0,2,0,0,0,0|2,0,0]=4 471 B5R0.1 C\C=C\C(=O)Cl XJ1187 [0,2,0,0,0,0|1,0,0]=3 472 B5R0.1 C\C=C\C(=O)O HL1378 [0,2,0,0,0,0|0,0,0]=2 473 B5R0.1 C\C=C\C(N)=O RT17596 [0,2,0,0,0,0|1,0,0]=3 474 B5R0.1 NC(=O)CCO RT17509 [0,2,0,0,0,0|1,0,0]=3 475 B5R0.1 NC(=O)NC=O JZ4445 [0,2,0,0,0,0|1,0,1]=4 476 B5R0.1 NC(=O)NCO HL0559 [0,2,0,0,0,0|1,0,0]=3 477 B5R0.1 NCCC(=O)O JZ0318 [0,2,0,0,0,0|0,0,0]=2 478 B5R0.1 NOCC(=O)O RT0527 [0,2,0,0,0,0|0,0,0]=2 479 B5R0.1 O=C(Cl)CCCl JZ0826 [0,2,0,0,0,0|1,0,0]=3 480 B5R0.1 O=C(Cl)OCCl JZ5514 [0,2,0,0,0,0|1,0,0]=3 481 B5R0.1 O=C(O)CCBr HL0088 [0,2,0,0,0,0|0,0,0]=2 482 B5R0.1 O=C(O)CCS SY0092 [0,2,0,0,0,0|0,0,0]=2 483 B5R0.1 O=C([O-])CCO RT1268 [0,2,0,0,0,0|0,0,1]=3 484 B5R0.3 C#CC(=O)OC LT7442 [0,2,0,0,0,0|0,0,1]=3 485 B5R0.3 C#CC(O)CC HL2704 [0,2,0,0,0,0|1,0,1]=4 486 B5R0.3 C=C(CC)CC XJ1324 [0,2,0,0,0,0|2,0,0]=4 487 B5R0.3 C=CC(=O)OC SY0292 [0,2,0,0,0,0|0,0,1]=3 488 B5R0.3 C=CC(O)CO RT18762 [0,2,0,0,0,0|1,0,1]=4 489 B5R0.3 CC(CO)CO JZ1881 [0,2,0,0,0,0|0,0,2]=4 490 B5R0.3 CCC(=O)NC JZ4434 [0,2,0,0,0,0|1,0,0]=3 491 B5R0.3 CCC(C)C=O LL0224 [0,2,0,0,0,0|1,0,1]=4 492 B5R0.3 CCC(C)CO LL0587 [0,2,0,0,0,0|1,0,1]=4 493 B5R0.3 CCC(N)CO LL0227 [0,2,0,0,0,0|1,0,1]=4 494 B5R0.3 CCN(C)N=O RT17894 [0,2,0,0,0,0|2,0,0]=4 495 B5R0.3 CCN(O)CC HL2577 [0,2,0,0,0,0|2,0,0]=4 496 B5R0.3 CC[C@@H](C)CO LQ1183 [0,2,0,0,0,0|1,0,1]=4 497 B5R0.3 CC[C@@H](O)CO LQ5013 [0,2,0,0,0,0|0,0,2]=4 498 B5R0.3 CC[C@H](O)CO HL4502 [0,2,0,0,0,0|0,0,2]=4 499 B5R0.3 CC\C(C)=N\O LL0233 [0,2,0,0,0,0|1,0,0]=3 500 B5R0.3 COC(=O)C=O LQ1491 [0,2,0,0,0,0|0,0,1]=3 501 B5R0.3 COC(=O)CN RT5049 [0,2,0,0,0,0|0,0,0]=2 502 B5R0.3 COC(=O)OC LQ1189 [0,2,0,0,0,0|0,0,0]=2 503 B5R0.3 CS\C(C)=N/O RT1099 [0,2,0,0,0,0|0,1,0]=3 504 B5R0.3 C\C(=C/Br)CBr RT0636 [0,2,0,0,0,0|2,0,0]=4 505 B5R0.3 C\C(=C/Br)CO RT0550 [0,2,0,0,0,0|1,0,0]=3 506 B5R0.3 C\C=C(/C)C=O XJ0816 [0,2,0,0,0,0|1,0,0]=3 507 B5R0.3 Cl\C=C(/Cl)CCl LL0226 [0,2,0,0,0,0|2,0,0]=4 508 B5R0.3 NC(CO)CO LL1303 [0,2,0,0,0,0|1,0,1]=4 509 B5R0.3 NCC(O)CN LQ1188 [0,2,0,0,0,0|1,0,1]=4 510 B5R0.3 NCC(O)CO JZ0486 [0,2,0,0,0,0|0,0,2]=4 511 B5R0.3 NC[C@H](O)CO YH09994 [0,2,0,0,0,0|0,0,2]=4 512 B5R0.3 NC[C@H](O)CO YH45696 [0,2,0,0,0,0|0,0,2]=4 513 B5R0.3 O=C(CBr)CBr LQ1454 [0,2,0,0,0,0|1,0,0]=3 514 B5R0.3 O=C(CF)CF CJ2432 [0,2,0,0,0,0|1,0,0]=3 515 B5R0.3 O=C(CI)CI RT0766 [0,2,0,0,0,0|1,0,0]=3 516 B5R0.3 O=C(CO)CO LL1029 [0,2,0,0,0,0|0,0,0]=2 517 B5R0.3 O=CC(Br)CBr LT1309 [0,2,0,0,0,0|1,0,1]=4 518 B5R0.3 O=CC(O)C=O RT17553 [0,2,0,0,0,0|0,0,2]=4 519 B5R0.3 O=C[C@H](O)CO LT7747 [0,2,0,0,0,0|0,0,1]=3 520 B5R0.3 OC(CBr)CBr LL0228 [0,2,0,0,0,0|1,0,1]=4 521 B5R0.3 OC(CCl)CCl LL0229 [0,2,0,0,0,0|1,0,1]=4 522 B5R0.3 OCC(Br)CBr LL0222 [0,2,0,0,0,0|1,0,1]=4 523 B5R0.3 OCC(Br)CO RT0384 [0,2,0,0,0,0|1,0,1]=4 524 B5R0.3 OCC(Cl)CCl LQ1185 [0,2,0,0,0,0|1,0,1]=4 525 B5R0.3 OCC(Cl)CO RT1084 [0,2,0,0,0,0|1,0,1]=4 526 B5R0.3 OCC(O)CBr RT0218 [0,2,0,0,0,0|0,0,2]=4 527 B5R0.3 OCC(O)CCl LL0230 [0,2,0,0,0,0|0,0,2]=4 528 B5R0.3 OCC(O)CI RT1254 [0,2,0,0,0,0|0,0,2]=4 529 B5R0.3 OCC(O)CO LT6375 [0,2,0,0,0,0|0,0,2]=4 530 B5R0.3 OCC(O)CO RT14397 [0,2,0,0,0,0|0,0,2]=4 531 B5R0.3 OCC(O)CO XJ4849 [0,2,0,0,0,0|0,0,2]=4 532 B5R0.3 OCC(O)CS LL0232 [0,2,0,0,0,0|0,0,2]=4 533 B5R0.3 OC[C@H](O)CBr YH33404 [0,2,0,0,0,0|0,0,2]=4 534 B5R0.3 OC[C@H](O)CCl LT5275 [0,2,0,0,0,0|0,0,2]=4 535 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,2,0,0,0,0|0,0,2]=4 536 B5R0.4 C#CC(C)(C)O HL1447 [0,2,0,0,0,0|1,0,1]=4 537 B5R0.4 C=CC(C)(C)O HL1446 [0,2,0,0,0,0|1,0,1]=4 538 B5R0.4 C=CP(=O)(O)O JZ4764 [0,2,0,0,0,0|1,0,1]=4 539 B5R0.4 CC(C)(C)C=O RT1153 [0,2,0,0,0,0|1,0,1]=4 540 B5R0.4 CC(C)(C)CO LQ0123 [0,2,0,0,0,0|1,0,1]=4 541 B5R0.4 CC(C)(C)OCl RT17559 [0,2,0,0,0,0|1,0,1]=4 542 B5R0.4 CC(C)(F)CO RT0499 [0,2,0,0,0,0|1,0,1]=4 543 B5R0.4 CC(C)(N)CO LT0229 [0,2,0,0,0,0|1,0,1]=4 544 B5R0.4 CC(C)(O)CBr RT16393 [0,2,0,0,0,0|1,0,1]=4 545 B5R0.4 CC(C)(O)CCl LQ1048 [0,2,0,0,0,0|1,0,1]=4 546 B5R0.4 CC(C)(O)CO RT1147 [0,2,0,0,0,0|0,0,2]=4 547 B5R0.4 CC(F)(F)CO YH55117 [0,2,0,0,0,0|1,0,1]=4 548 B5R0.4 CCP(=O)(Cl)Cl LQ1608 [0,2,0,0,0,0|2,0,0]=4 549 B5R0.4 CCP(=O)([O-])[O-] LT5219 [0,2,0,0,0,0|1,0,1]=4 550 B5R0.4 CCS(=O)(=O)O LQ1100 [0,2,0,0,0,0|1,0,0]=3 551 B5R0.4 CCS(=O)(=O)[O-] JZ2711 [0,2,0,0,0,0|1,0,1]=4 552 B5R0.4 CCS(C)(=O)=O LQ1098 [0,2,0,0,0,0|1,0,1]=4 553 B5R0.4 CCS(N)(=O)=O LQ1828 [0,2,0,0,0,0|1,0,1]=4 554 B5R0.4 CNS(=O)(=O)Cl YH22586 [0,2,0,0,0,0|1,0,1]=4 555 B5R0.4 CNS(C)(=O)=O JZ4425 [0,2,0,0,0,0|1,0,1]=4 556 B5R0.4 CS(=O)(=O)C#N RT1363 [0,2,0,0,0,0|1,0,1]=4 557 B5R0.4 CS(=O)(=O)O[Ag] JZ1955 [0,2,0,0,0,0|1,0,0]=3 558 B5R0.4 NCP(=O)(O)O LQ1609 [0,2,0,0,0,0|1,0,0]=3 559 B5R0.4 NCS(=O)(=O)O SY0138 [0,2,0,0,0,0|1,0,0]=3 560 B5R0.4 [2H]OC(C)(C)C RT17778 [0,2,0,0,0,0|1,0,1]=4 561 B5R0.5 C=C(Br)C(=O)O LQ3418 [0,2,0,0,0,0|0,0,1]=3 562 B5R0.5 C=C(C)C(=O)Cl HL0545 [0,2,0,0,0,0|1,0,0]=3 563 B5R0.5 C=C(C)C(=O)O XJ0087 [0,2,0,0,0,0|0,0,0]=2 564 B5R0.5 C=C(C)C(=O)[O-] LQ1630 [0,2,0,0,0,0|0,0,1]=3 565 B5R0.5 C=C(C)C(C)=O LQ1438 [0,2,0,0,0,0|1,0,0]=3 566 B5R0.5 C=C(C)C(C)C LQ1068 [0,2,0,0,0,0|2,0,0]=4 567 B5R0.5 C=C(F)C(=O)O YH01395 [0,2,0,0,0,0|0,0,1]=3 568 B5R0.5 CC(=O)C(=O)[O-] JZ2145 [0,2,0,0,0,0|0,0,1]=3 569 B5R0.5 CC(=O)C(=O)[O-] LQ4156 [0,2,0,0,0,0|0,0,1]=3 570 B5R0.5 CC(=O)C(=O)[O-] RT0509 [0,2,0,0,0,0|0,0,1]=3 571 B5R0.5 CC(=O)C(C)=O RT1203 [0,2,0,0,0,0|0,0,1]=3 572 B5R0.5 CC(=O)C(C)Br LQ1437 [0,2,0,0,0,0|1,0,0]=3 573 B5R0.5 CC(=O)C(C)S LT2609 [0,2,0,0,0,0|0,1,0]=3 574 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,2,0,0,0,0|1,0,0]=3 575 B5R0.5 CC(=O)N(C)C LT7398 [0,2,0,0,0,0|1,0,0]=3 576 B5R0.5 CC(=S)N(C)C LQ1296 [0,2,0,0,0,0|1,1,0]=4 577 B5R0.5 CC(Br)C(=O)O LQ1147 [0,2,0,0,0,0|0,0,0]=2 578 B5R0.5 CC(C)=C(C)C LQ1069 [0,2,0,0,0,0|2,0,0]=4 579 B5R0.5 CC(C)B(O)O XJ6433 [0,2,0,0,0,0|1,0,1]=4 580 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,2,0,0,0,0|0,0,1]=3 581 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,2,0,0,0,0|0,0,1]=3 582 B5R0.5 CC(C)C(C)O LQ1149 [0,2,0,0,0,0|1,0,1]=4 583 B5R0.5 CC(C)C(N)=O LQ1071 [0,2,0,0,0,0|1,0,0]=3 584 B5R0.5 CC(C)N(=O)=O XJ0090 [0,2,0,0,0,0|1,0,1]=4 585 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,2,0,0,0,0|0,0,1]=3 586 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,2,0,0,0,0|0,0,1]=3 587 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,2,0,0,0,0|0,0,1]=3 588 B5R0.5 CC(O)C(C)O HL1925 [0,2,0,0,0,0|0,0,2]=4 589 B5R0.5 CC(O)C(C)O HL3363 [0,2,0,0,0,0|0,0,2]=4 590 B5R0.5 CC(O)C(C)S LT3134 [0,2,0,0,0,0|0,1,1]=4 591 B5R0.5 CN(C)C(=O)Cl LT7881 [0,2,0,0,0,0|1,0,0]=3 592 B5R0.5 CN(C)C(=S)Cl LT7773 [0,2,0,0,0,0|1,1,0]=4 593 B5R0.5 CN(C)C(=S)[S-] LQ0527 [0,2,0,0,0,0|0,2,0]=4 594 B5R0.5 CN(C)C(=S)[S-] LQ3837 [0,2,0,0,0,0|0,2,0]=4 595 B5R0.5 CN(N)C(N)=S JZ3053 [0,2,0,0,0,0|1,1,0]=4 596 B5R0.5 CN(O)C(N)=O RT18824 [0,2,0,0,0,0|1,0,0]=3 597 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,2,0,0,0,0|0,0,0]=2 598 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,2,0,0,0,0|0,0,0]=2 599 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,2,0,0,0,0|1,0,0]=3 600 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,2,0,0,0,0|1,0,0]=3 601 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,2,0,0,0,0|0,0,0]=2 602 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,2,0,0,0,0|0,0,1]=3 603 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,2,0,0,0,0|0,0,2]=4 604 B5R0.5 NC(=O)C(=O)[O-] LL0996 [0,2,0,0,0,0|0,0,2]=4 605 B5R0.5 NC(=O)C(N)=O LQ0860 [0,2,0,0,0,0|1,0,1]=4 606 B5R0.5 NC(N)=S(=O)=O JZ0030 [0,2,0,0,0,0|2,0,0]=4 607 B5R0.5 O=C(Cl)C(=O)Cl LT7271 [0,2,0,0,0,0|1,0,1]=4 608 B5R0.5 O=C(O)C(=O)O HL1923 [0,2,0,0,0,0|0,0,1]=3 609 B5R0.5 O=C(O)C(=O)O RT0368 [0,2,0,0,0,0|0,0,1]=3 610 B5R0.5 O=C(O)C(Br)I RT0702 [0,2,0,0,0,0|0,0,0]=2 611 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,2,0,0,0,0|0,0,0]=2 612 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,2,0,0,0,0|0,0,0]=2 613 B5R0.5 O=C(O)C(Cl)I RT0646 [0,2,0,0,0,0|0,0,0]=2 614 B5R0.5 O=C(O)C(I)I RT0771 [0,2,0,0,0,0|0,0,0]=2 615 B5R0.5 O=C([O-])C(=O)O LQ0525 [0,2,0,0,0,0|0,0,1]=3 616 B5R0.5 O=C([O-])C(=O)[O-] HL1988 [0,2,0,0,0,0|0,0,2]=4 617 B5R0.5 O=C([O-])C(=O)[O-] HL1989 [0,2,0,0,0,0|0,0,2]=4 618 B5R0.5 O=C([O-])C(=O)[O-] HL3013 [0,2,0,0,0,0|0,0,2]=4 619 B5R0.5 O=C([O-])C(=O)[O-] JZ2184 [0,2,0,0,0,0|0,0,2]=4 620 B5R0.5 O=C([O-])C(=O)[O-] JZ2815 [0,2,0,0,0,0|0,0,2]=4 621 B5R0.5 O=C([O-])C(=O)[O-] JZ2832 [0,2,0,0,0,0|0,0,2]=4 622 B5R0.5 O=C([O-])C(=O)[O-] JZ2876 [0,2,0,0,0,0|0,0,2]=4 623 B5R0.5 O=C([O-])C(=O)[O-] JZ3710 [0,2,0,0,0,0|0,0,2]=4 624 B5R0.5 O=C([O-])C(=O)[O-] JZ4074 [0,2,0,0,0,0|0,0,2]=4 625 B5R0.5 O=C([O-])C(=O)[O-] LQ1067 [0,2,0,0,0,0|0,0,2]=4 626 B5R0.5 O=C([O-])C(=O)[O-] LQ1440 [0,2,0,0,0,0|0,0,2]=4 627 B5R0.5 O=C([O-])C(=O)[O-] LQ1441 [0,2,0,0,0,0|0,0,2]=4 628 B5R0.5 O=C([O-])C(=O)[O-] LQ1442 [0,2,0,0,0,0|0,0,2]=4 629 B5R0.5 O=C([O-])C(=O)[O-] LQ1443 [0,2,0,0,0,0|0,0,2]=4 630 B5R0.5 O=C([O-])C(=O)[O-] LQ1444 [0,2,0,0,0,0|0,0,2]=4 631 B5R0.5 O=C([O-])C(=O)[O-] LQ1445 [0,2,0,0,0,0|0,0,2]=4 632 B5R0.5 O=C([O-])C(=O)[O-] LQ2603 [0,2,0,0,0,0|0,0,2]=4 633 B5R0.5 O=C([O-])C(=O)[O-] LQ2980 [0,2,0,0,0,0|0,0,2]=4 634 B5R0.5 O=C([O-])C(=O)[O-] LQ3018 [0,2,0,0,0,0|0,0,2]=4 635 B5R0.5 O=C([O-])C(=O)[O-] LQ5508 [0,2,0,0,0,0|0,0,2]=4 636 B5R0.5 O=C([O-])C(=O)[O-] LT4010 [0,2,0,0,0,0|0,0,2]=4 637 B5R0.5 O=C([O-])C(=O)[O-] XJ1559 [0,2,0,0,0,0|0,0,2]=4 638 B5R0.5 O=C([O-])C(=O)[O-] XJ4019 [0,2,0,0,0,0|0,0,2]=4 639 B5R0.5 O=C([O-])C(Cl)Cl JZ1871 [0,2,0,0,0,0|0,0,1]=3 640 B5R0.5 O=[N+]([O-])C(Br)Br RT1194 [0,2,0,0,0,0|1,0,1]=4 641 B5R0.5 O=[N+]([O-])C(Cl)Br RT1187 [0,2,0,0,0,0|1,0,1]=4 642 B5R0.5 O=[N+]([O-])C(Cl)Cl RT1195 [0,2,0,0,0,0|1,0,1]=4 643 B5R0.5 [2H]C(=O)N(C)C JZ2134 [0,2,0,0,0,0|1,0,0]=3 644 B3R1.1 C1CS1 LL0755 [1,0,0,1,0,0|0,1,1]=4 645 B5R1.2 IC1COC1 YH65509 [0,1,0,1,0,0|1,0,1]=4 646 B5R1.2 NC1COC1 LQ4263 [0,1,0,1,0,0|1,0,1]=4 647 B5R1.2 NC1COC1 YH65543 [0,1,0,1,0,0|1,0,1]=4 648 B5R1.2 O=C1CCC1 LT7155 [0,1,0,1,0,0|1,0,0]=3 649 B5R1.2 O=C1CNC1 LQ4009 [0,1,0,1,0,0|1,0,0]=3 650 B5R1.2 O=C1COC1 LQ3137 [0,1,0,1,0,0|0,0,0]=2 651 B5R1.2 O=C1CSC1 YH65134 [0,1,0,1,0,0|0,1,0]=3 652 B5R1.2 OC1CCC1 JZ2141 [0,1,0,1,0,0|1,0,1]=4 653 B5R1.2 OC1CNC1 LQ5145 [0,1,0,1,0,0|1,0,1]=4 654 B5R1.2 OC1CNC1 LX2402 [0,1,0,1,0,0|1,0,1]=4 655 B5R1.2 OC1COC1 JZ3200 [0,1,0,1,0,0|0,0,2]=4 656 B5R1.3 BrCC1CO1 LQ2403 [0,1,0,1,0,0|1,0,1]=4 657 B5R1.3 C=CC1CO1 LQ1542 [0,1,0,1,0,0|1,0,1]=4 658 B5R1.3 ClCC1CO1 RT15055 [0,1,0,1,0,0|1,0,1]=4 659 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,1,0,1,0,0|1,0,1]=4 660 B5R1.3 N#CC1CO1 RT14822 [0,1,0,1,0,0|1,0,1]=4 661 B5R1.3 O=CC1CC1 HL0901 [0,1,0,1,0,0|1,0,1]=4 662 B5R1.3 OCC1CC1 LT7741 [0,1,0,1,0,0|1,0,1]=4 663 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,1,0,1,0,0|0,0,2]=4 664 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,1,0,1,0,0|0,0,2]=4 665 B5R1.4 CC1OC1C XJ2416 [0,1,0,1,0,0|1,0,1]=4 666 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,1,0,1,0,0|1,0,1]=4