0 B3R0.2 BrC(Br)I RT13513 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 3 B3R0.2 C=C(C)C HL1444 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 C=C(C)Cl LQ1041 [0,0,0,0,0,0|1,0,2]=3 5 B3R0.2 C=C(Cl)Cl LQ0092 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.2 C=C(F)F LQ4457 [0,0,0,0,0,0|2,0,2]=4 7 B3R0.2 C=[N+](C)C LQ4806 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CB(C)Br LQ2820 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=N)N RT17426 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.2 CC(=O)F LQ1042 [0,0,0,0,0,0|1,0,2]=3 11 B3R0.2 CC(=O)O JZ3704 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 CC(=O)O XJ0034 [0,0,0,0,0,0|1,0,1]=2 13 B3R0.2 CC(=O)[O-] HL0535 [0,0,0,0,0,0|1,0,2]=3 14 B3R0.2 CC(=O)[O-] HL1089 [0,0,0,0,0,0|1,0,2]=3 15 B3R0.2 CC(=O)[O-] HL1536 [0,0,0,0,0,0|1,0,2]=3 16 B3R0.2 CC(=O)[O-] HL1556 [0,0,0,0,0,0|1,0,2]=3 17 B3R0.2 CC(=O)[O-] HL1980 [0,0,0,0,0,0|1,0,2]=3 18 B3R0.2 CC(=O)[O-] JZ2733 [0,0,0,0,0,0|1,0,2]=3 19 B3R0.2 CC(=O)[O-] JZ3035 [0,0,0,0,0,0|1,0,2]=3 20 B3R0.2 CC(=O)[O-] JZ4063 [0,0,0,0,0,0|1,0,2]=3 21 B3R0.2 CC(=O)[O-] JZ4064 [0,0,0,0,0,0|1,0,2]=3 22 B3R0.2 CC(=O)[O-] JZ5083 [0,0,0,0,0,0|1,0,2]=3 23 B3R0.2 CC(=O)[O-] JZ5622 [0,0,0,0,0,0|1,0,2]=3 24 B3R0.2 CC(=O)[O-] LL2757 [0,0,0,0,0,0|1,0,2]=3 25 B3R0.2 CC(=O)[O-] LQ1063 [0,0,0,0,0,0|1,0,2]=3 26 B3R0.2 CC(=O)[O-] LQ1064 [0,0,0,0,0,0|1,0,2]=3 27 B3R0.2 CC(=O)[O-] LQ1143 [0,0,0,0,0,0|1,0,2]=3 28 B3R0.2 CC(=O)[O-] LQ1294 [0,0,0,0,0,0|1,0,2]=3 29 B3R0.2 CC(=O)[O-] LQ1601 [0,0,0,0,0,0|1,0,2]=3 30 B3R0.2 CC(=O)[O-] LQ2985 [0,0,0,0,0,0|1,0,2]=3 31 B3R0.2 CC(=O)[O-] LQ3945 [0,0,0,0,0,0|1,0,2]=3 32 B3R0.2 CC(=O)[O-] LQ4020 [0,0,0,0,0,0|1,0,2]=3 33 B3R0.2 CC(=O)[O-] LQ5168 [0,0,0,0,0,0|1,0,2]=3 34 B3R0.2 CC(=O)[O-] LT7507 [0,0,0,0,0,0|1,0,2]=3 35 B3R0.2 CC(=O)[O-] LT7843 [0,0,0,0,0,0|1,0,2]=3 36 B3R0.2 CC(=O)[O-] XJ0536 [0,0,0,0,0,0|1,0,2]=3 37 B3R0.2 CC(=O)[O-] XJ0713 [0,0,0,0,0,0|1,0,2]=3 38 B3R0.2 CC(=O)[O-] XJ0970 [0,0,0,0,0,0|1,0,2]=3 39 B3R0.2 CC(=O)[O-] XJ2980 [0,0,0,0,0,0|1,0,2]=3 40 B3R0.2 CC(=O)[O-] YH65813 [0,0,0,0,0,0|1,0,2]=3 41 B3R0.2 CC(C)I LQ0090 [0,0,0,0,0,0|1,0,0]=1 42 B3R0.2 CC(C)S LQ0091 [0,0,0,0,0,0|0,1,0]=1 43 B3R0.2 CC(C)[O-] JZ4937 [0,0,0,0,0,0|0,0,1]=1 44 B3R0.2 CC(C)[O-] JZ5329 [0,0,0,0,0,0|0,0,1]=1 45 B3R0.2 CC(C)[O-] JZ5330 [0,0,0,0,0,0|0,0,1]=1 46 B3R0.2 CC(C)[O-] JZ5591 [0,0,0,0,0,0|0,0,1]=1 47 B3R0.2 CC(C)[O-] LL1978 [0,0,0,0,0,0|0,0,1]=1 48 B3R0.2 CC(C)[O-] LQ3154 [0,0,0,0,0,0|0,0,1]=1 49 B3R0.2 CC(C)[O-] LQ3155 [0,0,0,0,0,0|0,0,1]=1 50 B3R0.2 CC(C)[O-] LQ3188 [0,0,0,0,0,0|0,0,1]=1 51 B3R0.2 CC(C)[O-] LQ4092 [0,0,0,0,0,0|0,0,1]=1 52 B3R0.2 CC(C)[O-] XJ2702 [0,0,0,0,0,0|0,0,1]=1 53 B3R0.2 CC(C)[O-] XJ6011 [0,0,0,0,0,0|0,0,1]=1 54 B3R0.2 CC(Cl)Br LQ1089 [0,0,0,0,0,0|2,0,0]=2 55 B3R0.2 CC(Cl)Cl HL0746 [0,0,0,0,0,0|2,0,0]=2 56 B3R0.2 CC(Cl)Cl RT17620 [0,0,0,0,0,0|2,0,0]=2 57 B3R0.2 CC(F)F LQ0094 [0,0,0,0,0,0|2,0,0]=2 58 B3R0.2 CN(C)C JZ2219 [0,0,0,0,0,0|2,0,0]=2 59 B3R0.2 CP(C)C LL1775 [0,0,0,0,0,0|2,0,0]=2 60 B3R0.2 CS(C)=O XJ0069 [0,0,0,0,0,0|1,0,1]=2 61 B3R0.2 C[As](C)I RT5919 [0,0,0,0,0,0|2,0,0]=2 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|2,0,0]=2 64 B3R0.2 C[S+](C)C JZ1912 [0,0,0,0,0,0|2,0,0]=2 65 B3R0.2 C[SiH](C)C XJ1513 [0,0,0,0,0,0|1,1,0]=2 66 B3R0.2 C[Sn](C)=O HL2174 [0,0,0,0,0,0|1,0,1]=2 67 B3R0.2 ClC(Br)Br RT17718 [0,0,0,0,0,0|3,0,0]=3 68 B3R0.2 ClC(Br)I RT13512 [0,0,0,0,0,0|3,0,0]=3 69 B3R0.2 ClC(Cl)Br RT17719 [0,0,0,0,0,0|3,0,0]=3 70 B3R0.2 ClC(Cl)Cl XJ0068 [0,0,0,0,0,0|3,0,0]=3 71 B3R0.2 ClC(Cl)I RT13514 [0,0,0,0,0,0|3,0,0]=3 72 B3R0.2 ClC(I)I RT13516 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 79 B3R0.2 N=C(N)N LQ1088 [0,0,0,0,0,0|3,0,1]=4 80 B3R0.2 N=C(N)N LT7842 [0,0,0,0,0,0|3,0,1]=4 81 B3R0.2 N=C(N)N RT4888 [0,0,0,0,0,0|3,0,1]=4 82 B3R0.2 N=C(N)N RT4904 [0,0,0,0,0,0|3,0,1]=4 83 B3R0.2 N=C(N)N XJ6746 [0,0,0,0,0,0|3,0,1]=4 84 B3R0.2 NC(=S)[S-] HL1919 [0,0,0,0,0,0|2,1,1]=4 85 B3R0.2 NC(N)=S XJ0020 [0,0,0,0,0,0|2,1,1]=4 86 B3R0.2 N[13C](=O)N RT0355 [0,0,0,0,0,0|2,0,2]=4 87 B3R0.2 O=C([O-])[O-] JZ2955 [0,0,0,0,0,0|2,0,2]=4 88 B3R0.2 O=C([O-])[O-] JZ4994 [0,0,0,0,0,0|2,0,2]=4 89 B3R0.2 O=C([O-])[O-] LL1580 [0,0,0,0,0,0|2,0,2]=4 90 B3R0.2 O=C([O-])[O-] LQ1146 [0,0,0,0,0,0|2,0,2]=4 91 B3R0.2 O=C([O-])[O-] LQ2984 [0,0,0,0,0,0|2,0,2]=4 92 B3R0.2 O=C([O-])[O-] LQ4935 [0,0,0,0,0,0|2,0,2]=4 93 B3R0.2 O=C([O-])[O-] LQ4937 [0,0,0,0,0,0|2,0,2]=4 94 B3R0.2 O=C([O-])[O-] XJ3004 [0,0,0,0,0,0|2,0,2]=4 95 B3R0.2 O=C([O-])[O-] XJ3140 [0,0,0,0,0,0|2,0,2]=4 96 B3R0.2 O=C([O-])[O-] XJ3897 [0,0,0,0,0,0|2,0,2]=4 97 B3R0.2 O=C([O-])[O-] XJ4823 [0,0,0,0,0,0|2,0,2]=4 98 B3R0.2 O=C([O-])[O-] XJ5330 [0,0,0,0,0,0|2,0,2]=4 99 B3R0.2 O=C([O-])[O-] XJ5339 [0,0,0,0,0,0|2,0,2]=4 100 B3R0.2 O=C([O-])[O-] XJ6154 [0,0,0,0,0,0|2,0,2]=4 101 B3R0.2 O=C([O-])[O-] YH06400 [0,0,0,0,0,0|2,0,2]=4 102 B3R0.2 O=P(=O)[O-] YH14063 [0,0,0,0,0,0|3,0,1]=4 103 B3R0.2 O=[N+]([O-])[O-] RT17385 [0,0,0,0,0,0|3,0,1]=4 104 B3R0.2 O=[N+]([O-])[O-] YH20922 [0,0,0,0,0,0|3,0,1]=4 105 B3R0.2 O=[N+]([O-])[O-] YH32596 [0,0,0,0,0,0|3,0,1]=4 106 B3R0.2 O=[N+]([O-])[O-] YH42140 [0,0,0,0,0,0|3,0,1]=4 107 B3R0.2 O=[Te]([O-])[O-] RT18552 [0,0,0,0,0,0|3,0,1]=4 108 B3R0.2 O=[Zr](Cl)Cl YH18071 [0,0,0,0,0,0|3,0,1]=4 109 B3R0.2 S=C(Cl)Cl RT1087 [0,0,0,0,0,0|2,1,1]=4 110 B3R0.2 [13CH3][13C](N)=O RT4752 [0,0,0,0,0,0|1,0,2]=3 111 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|0,0,3]=4 113 B2R0.1 C=CCl XJ3453 [1,0,0,0,0,0|1,0,2]=4 114 B2R0.1 C=CI LQ1085 [1,0,0,0,0,0|1,0,2]=4 115 B2R0.1 C=C[CH2-] XJ3675 [1,0,0,0,0,0|0,0,3]=4 116 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|0,0,2]=3 119 B2R0.1 CCN LQ1083 [1,0,0,0,0,0|1,0,0]=2 120 B2R0.1 CCS LQ0071 [1,0,0,0,0,0|0,1,0]=2 121 B2R0.1 CC[O-] HL0532 [1,0,0,0,0,0|0,0,1]=2 122 B2R0.1 CC[O-] HL2878 [1,0,0,0,0,0|0,0,1]=2 123 B2R0.1 CC[O-] HL4901 [1,0,0,0,0,0|0,0,1]=2 124 B2R0.1 CC[O-] JZ1966 [1,0,0,0,0,0|0,0,1]=2 125 B2R0.1 CC[O-] JZ2286 [1,0,0,0,0,0|0,0,1]=2 126 B2R0.1 CC[O-] JZ4882 [1,0,0,0,0,0|0,0,1]=2 127 B2R0.1 CC[O-] XJ5943 [1,0,0,0,0,0|0,0,1]=2 128 B2R0.1 CSC JZ3723 [1,0,0,0,0,0|1,0,0]=2 129 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|1,0,0]=2 131 B2R0.1 C[Se]C LQ1086 [1,0,0,0,0,0|1,0,0]=2 132 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|2,0,0]=3 134 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|2,0,0]=3 136 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|2,0,0]=3 142 B2R0.1 O=C=O HL1493 [1,0,0,0,0,0|1,0,2]=4 143 B2R0.1 O=CO JZ5436 [1,0,0,0,0,0|1,0,1]=3 144 B2R0.1 O=C[O-] HL2500 [1,0,0,0,0,0|1,0,2]=4 145 B2R0.1 O=C[O-] LQ1036 [1,0,0,0,0,0|1,0,2]=4 146 B2R0.1 O=C[O-] LQ1425 [1,0,0,0,0,0|1,0,2]=4 147 B2R0.1 O=C[O-] LQ2986 [1,0,0,0,0,0|1,0,2]=4 148 B2R0.1 O=C[O-] XJ2402 [1,0,0,0,0,0|1,0,2]=4 149 B2R0.1 O=C[O-] XJ3084 [1,0,0,0,0,0|1,0,2]=4 150 B2R0.1 O=[15N][O-] RT1049 [1,0,0,0,0,0|2,0,1]=4 151 B2R0.1 O=[Pt]=O RT17671 [1,0,0,0,0,0|2,0,1]=4 152 B2R0.1 [18O]=N[18O-] RT1046 [1,0,0,0,0,0|2,0,1]=4 153 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|2,0,0]=3 156 B4R0.1 C#CC(=C)C LL0127 [0,1,0,0,0,0|1,0,2]=4 157 B4R0.1 C#CC(=O)O LQ0858 [0,1,0,0,0,0|1,0,2]=4 158 B4R0.1 C#CC(C)O JZ2135 [0,1,0,0,0,0|0,0,1]=2 159 B4R0.1 C#C[C@H](C)N RT3964 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.1 C(=O)N(C)C YH13617 [0,1,0,0,0,0|1,0,1]=3 161 B4R0.1 C=C(Br)CC LQ4356 [0,1,0,0,0,0|1,0,2]=4 162 B4R0.1 C=C(C)C#N RT1064 [0,1,0,0,0,0|1,0,2]=4 163 B4R0.1 C=C(C)C=O RT1202 [0,1,0,0,0,0|0,0,3]=4 164 B4R0.1 C=C(C)CC LQ1059 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 C=C(C)OC HL1466 [0,1,0,0,0,0|0,0,2]=3 166 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,1,0,0,0,0|1,0,2]=4 167 B4R0.1 C=C=C(C)C LQ1135 [0,1,0,0,0,0|1,0,1]=3 168 B4R0.1 C=CC(=O)O LL0145 [0,1,0,0,0,0|1,0,2]=4 169 B4R0.1 C=CC(=O)O LQ4543 [0,1,0,0,0,0|1,0,2]=4 170 B4R0.1 C=CC(C)Cl LQ1061 [0,1,0,0,0,0|1,0,1]=3 171 B4R0.1 CC(=O)CBr LQ1137 [0,1,0,0,0,0|0,0,2]=3 172 B4R0.1 CC(=O)CN LX3064 [0,1,0,0,0,0|0,0,2]=3 173 B4R0.1 CC(=O)NBr XJ0071 [0,1,0,0,0,0|1,0,2]=4 174 B4R0.1 CC(=O)NN LQ1629 [0,1,0,0,0,0|1,0,2]=4 175 B4R0.1 CC(Br)CBr LL0123 [0,1,0,0,0,0|1,0,0]=2 176 B4R0.1 CC(Br)CCl XJ2375 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.1 CC(C)CI HL1913 [0,1,0,0,0,0|1,0,0]=2 178 B4R0.1 CC(C)CS HL1915 [0,1,0,0,0,0|0,1,0]=2 179 B4R0.1 CC(C)NN LQ3967 [0,1,0,0,0,0|1,0,0]=2 180 B4R0.1 CC(C)NO LT5054 [0,1,0,0,0,0|0,0,0]=1 181 B4R0.1 CC(N)C#N LT6014 [0,1,0,0,0,0|1,0,1]=3 182 B4R0.1 CC(N)CN YH43801 [0,1,0,0,0,0|1,0,0]=2 183 B4R0.1 CC(N)CO JZ1400 [0,1,0,0,0,0|1,0,0]=2 184 B4R0.1 CC(O)CF YH01374 [0,1,0,0,0,0|0,0,0]=1 185 B4R0.1 CCB(O)O XJ2684 [0,1,0,0,0,0|2,0,0]=3 186 B4R0.1 CCC(=O)Cl YH19012 [0,1,0,0,0,0|1,0,2]=4 187 B4R0.1 CCC(=O)[O-] HL1636 [0,1,0,0,0,0|1,0,2]=4 188 B4R0.1 CCC(=O)[O-] LQ1030 [0,1,0,0,0,0|1,0,2]=4 189 B4R0.1 CCC(C)I LT2185 [0,1,0,0,0,0|1,0,0]=2 190 B4R0.1 CC[C@@H](C)N JZ3698 [0,1,0,0,0,0|1,0,0]=2 191 B4R0.1 CN(C)N=O RT4837 [0,1,0,0,0,0|1,0,1]=3 192 B4R0.1 CNC(=S)[S-] LL0589 [0,1,0,0,0,0|1,1,1]=4 193 B4R0.1 CNC(=S)[S-] RT0569 [0,1,0,0,0,0|1,1,1]=4 194 B4R0.1 CNC(N)=S LQ1142 [0,1,0,0,0,0|1,1,1]=4 195 B4R0.1 COC(=N)N JZ2721 [0,1,0,0,0,0|2,0,1]=4 196 B4R0.1 COC(=O)Cl XJ0076 [0,1,0,0,0,0|1,0,2]=4 197 B4R0.1 COC(C)=N YH35544 [0,1,0,0,0,0|1,0,1]=3 198 B4R0.1 COC(C)C RT17590 [0,1,0,0,0,0|0,0,0]=1 199 B4R0.1 COC(Cl)Cl XJ2773 [0,1,0,0,0,0|2,0,0]=3 200 B4R0.1 COC(N)=O LQ1144 [0,1,0,0,0,0|1,0,2]=4 201 B4R0.1 COC(N)=[NH2+] LT5794 [0,1,0,0,0,0|2,0,1]=4 202 B4R0.1 COP(Cl)Cl XJ2430 [0,1,0,0,0,0|3,0,0]=4 203 B4R0.1 CSC(=N)N HL3579 [0,1,0,0,0,0|2,0,1]=4 204 B4R0.1 CSC(C)C LT4098 [0,1,0,0,0,0|0,1,0]=2 205 B4R0.1 CS[S+](C)C HL3015 [0,1,0,0,0,0|1,1,0]=3 206 B4R0.1 C[C@@H](N)CN YH65431 [0,1,0,0,0,0|1,0,0]=2 207 B4R0.1 C[C@@H](O)CN LT7643 [0,1,0,0,0,0|0,0,0]=1 208 B4R0.1 C[C@H](Cl)CO JZ5320 [0,1,0,0,0,0|1,0,0]=2 209 B4R0.1 C[C@H](Cl)CO XJ5311 [0,1,0,0,0,0|1,0,0]=2 210 B4R0.1 C[C@H](N)CO HL2372 [0,1,0,0,0,0|1,0,0]=2 211 B4R0.1 C[C@H](N)CO LT7580 [0,1,0,0,0,0|1,0,0]=2 212 B4R0.1 C[C@H](O)CCl JZ5302 [0,1,0,0,0,0|0,0,0]=1 213 B4R0.1 C\C=C(\C)Br JZ3724 [0,1,0,0,0,0|1,0,1]=3 214 B4R0.1 ClCC(Cl)Cl LL0136 [0,1,0,0,0,0|2,0,0]=3 215 B4R0.1 N#CC(Br)Br XJ2403 [0,1,0,0,0,0|2,0,1]=4 216 B4R0.1 N#CC(Cl)Cl XJ2376 [0,1,0,0,0,0|2,0,1]=4 217 B4R0.1 N#CC(I)I RT0733 [0,1,0,0,0,0|2,0,1]=4 218 B4R0.1 N=C(O)CO LQ1140 [0,1,0,0,0,0|1,0,1]=3 219 B4R0.1 NC(=O)CCl RT4709 [0,1,0,0,0,0|1,0,2]=4 220 B4R0.1 NC(=O)NO RT4756 [0,1,0,0,0,0|2,0,1]=4 221 B4R0.1 NCC(=O)O JZ0518 [0,1,0,0,0,0|1,0,1]=3 222 B4R0.1 NCC(=O)O LQ3009 [0,1,0,0,0,0|1,0,1]=3 223 B4R0.1 NCC(=O)[O-] JZ1232 [0,1,0,0,0,0|1,0,2]=4 224 B4R0.1 NCC(=O)[O-] JZ1274 [0,1,0,0,0,0|1,0,2]=4 225 B4R0.1 NCC(=O)[O-] JZ1346 [0,1,0,0,0,0|1,0,2]=4 226 B4R0.1 NCC(=O)[O-] JZ1545 [0,1,0,0,0,0|1,0,2]=4 227 B4R0.1 NCC(=O)[O-] JZ1650 [0,1,0,0,0,0|1,0,2]=4 228 B4R0.1 NCC(N)=O HL0991 [0,1,0,0,0,0|1,0,2]=4 229 B4R0.1 NCC(N)=O LQ1139 [0,1,0,0,0,0|1,0,2]=4 230 B4R0.1 O=C(O)CBr LL0143 [0,1,0,0,0,0|1,0,1]=3 231 B4R0.1 O=C(O)CF LT5771 [0,1,0,0,0,0|1,0,1]=3 232 B4R0.1 O=C([O-])CCl LQ2589 [0,1,0,0,0,0|1,0,2]=4 233 B4R0.1 O=C([O-])CO LQ2283 [0,1,0,0,0,0|1,0,2]=4 234 B4R0.1 O=C([O-])CO XJ5448 [0,1,0,0,0,0|1,0,2]=4 235 B4R0.1 O=C([O-])CS HL2967 [0,1,0,0,0,0|1,0,2]=4 236 B4R0.1 O=C([O-])CS LQ1436 [0,1,0,0,0,0|1,0,2]=4 237 B4R0.1 O=C([O-])CS XJ0675 [0,1,0,0,0,0|1,0,2]=4 238 B4R0.1 O=C([O-])CS XJ6033 [0,1,0,0,0,0|1,0,2]=4 239 B4R0.1 O=CC(=O)O LL0641 [0,1,0,0,0,0|1,0,2]=4 240 B4R0.1 O=CC(=O)O LQ1072 [0,1,0,0,0,0|1,0,2]=4 241 B4R0.1 O=CC(Cl)Br RT17654 [0,1,0,0,0,0|2,0,1]=4 242 B4R0.1 O=CC(Cl)Cl RT1083 [0,1,0,0,0,0|2,0,1]=4 243 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.1 O=[N+]([O-])CCl RT1188 [0,1,0,0,0,0|2,0,1]=4 245 B4R0.1 ON=C(Br)Br YH65574 [0,1,0,0,0,0|2,0,1]=4 246 B4R0.1 [2H]OC(C)=O XJ1316 [0,1,0,0,0,0|1,0,1]=3 247 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,1,0,0,0,0|0,0,0]=1 248 B4R0.3 CC(C)(Br)Br LQ1091 [0,1,0,0,0,0|1,0,0]=2 249 B4R0.3 CC(C)(C)Br HL1886 [0,1,0,0,0,0|1,0,0]=2 250 B4R0.3 CC(C)(C)I LQ1044 [0,1,0,0,0,0|1,0,0]=2 251 B4R0.3 CC(C)(C)N LQ0109 [0,1,0,0,0,0|1,0,0]=2 252 B4R0.3 CC(C)(C)S LQ0111 [0,1,0,0,0,0|0,1,0]=2 253 B4R0.3 CC(C)(C)[O-] YH42977 [0,1,0,0,0,0|0,0,1]=2 254 B4R0.3 CC(C)(C)[O-] YH90670 [0,1,0,0,0,0|0,0,1]=2 255 B4R0.3 CC(Cl)(Cl)Cl HL1090 [0,1,0,0,0,0|2,0,0]=3 256 B4R0.3 CC(Cl)(Cl)Cl JZ5685 [0,1,0,0,0,0|2,0,0]=3 257 B4R0.3 CC(F)(F)Cl LQ0112 [0,1,0,0,0,0|2,0,0]=3 258 B4R0.3 CP(C)(=O)Cl XJ1549 [0,1,0,0,0,0|1,0,1]=3 259 B4R0.3 CP(C)(=S)Cl XJ1515 [0,1,0,0,0,0|1,1,0]=3 260 B4R0.3 CP(C)(C)=O HL0340 [0,1,0,0,0,0|1,0,1]=3 261 B4R0.3 CP(C)(C)=S JZ2008 [0,1,0,0,0,0|1,1,0]=3 262 B4R0.3 CS(=O)(=O)Cl RT17773 [0,1,0,0,0,0|2,0,1]=4 263 B4R0.3 CS(=O)(=O)F CJ2463 [0,1,0,0,0,0|2,0,1]=4 264 B4R0.3 CS(=O)(=O)[O-] LL1481 [0,1,0,0,0,0|2,0,1]=4 265 B4R0.3 CS(C)(=O)=S YH20749 [0,1,0,0,0,0|1,0,1]=3 266 B4R0.3 CS(N)(=O)=O YH53906 [0,1,0,0,0,0|2,0,1]=4 267 B4R0.3 C[As+](C)(C)C RT1258 [0,1,0,0,0,0|2,0,0]=3 268 B4R0.3 C[As](C)(=O)[O-] LT7052 [0,1,0,0,0,0|1,0,1]=3 269 B4R0.3 C[As](C)(=O)[O-] XJ3003 [0,1,0,0,0,0|1,0,1]=3 270 B4R0.3 C[As](C)(C)=O RT18761 [0,1,0,0,0,0|1,0,1]=3 271 B4R0.3 C[Ge](C)(C)C XJ1380 [0,1,0,0,0,0|1,1,0]=3 272 B4R0.3 C[Ge](Cl)(Cl)Cl XJ1514 [0,1,0,0,0,0|2,1,0]=4 273 B4R0.3 C[N+](C)(C)C HL3369 [0,1,0,0,0,0|2,0,0]=3 274 B4R0.3 C[N+](C)(C)C HL4142 [0,1,0,0,0,0|2,0,0]=3 275 B4R0.3 C[N+](C)(C)C JZ1791 [0,1,0,0,0,0|2,0,0]=3 276 B4R0.3 C[N+](C)(C)C JZ3462 [0,1,0,0,0,0|2,0,0]=3 277 B4R0.3 C[N+](C)(C)C JZ4899 [0,1,0,0,0,0|2,0,0]=3 278 B4R0.3 C[N+](C)(C)C JZ5137 [0,1,0,0,0,0|2,0,0]=3 279 B4R0.3 C[N+](C)(C)C LL1382 [0,1,0,0,0,0|2,0,0]=3 280 B4R0.3 C[N+](C)(C)C LL2539 [0,1,0,0,0,0|2,0,0]=3 281 B4R0.3 C[N+](C)(C)C LQ2217 [0,1,0,0,0,0|2,0,0]=3 282 B4R0.3 C[N+](C)(C)C LQ3412 [0,1,0,0,0,0|2,0,0]=3 283 B4R0.3 C[N+](C)(C)C LQ3869 [0,1,0,0,0,0|2,0,0]=3 284 B4R0.3 C[N+](C)(C)C LT7161 [0,1,0,0,0,0|2,0,0]=3 285 B4R0.3 C[N+](C)(C)C XJ0720 [0,1,0,0,0,0|2,0,0]=3 286 B4R0.3 C[N+](C)(C)C XJ1286 [0,1,0,0,0,0|2,0,0]=3 287 B4R0.3 C[N+](C)(C)C XJ6647 [0,1,0,0,0,0|2,0,0]=3 288 B4R0.3 C[N+](C)(C)C XJ6806 [0,1,0,0,0,0|2,0,0]=3 289 B4R0.3 C[P+](C)(C)C HL2758 [0,1,0,0,0,0|2,0,0]=3 290 B4R0.3 C[S+](C)(C)=O HL2856 [0,1,0,0,0,0|1,0,1]=3 291 B4R0.3 C[S+](C)(C)=O XJ1911 [0,1,0,0,0,0|1,0,1]=3 292 B4R0.3 C[S+](C)(C)=O XJ4842 [0,1,0,0,0,0|1,0,1]=3 293 B4R0.3 C[Si](C)(C)Cl JZ1345 [0,1,0,0,0,0|1,1,0]=3 294 B4R0.3 C[Si](C)(C)I JZ1572 [0,1,0,0,0,0|1,1,0]=3 295 B4R0.3 C[Si](C)(Cl)Cl LQ0118 [0,1,0,0,0,0|1,1,0]=3 296 B4R0.3 C[Si](C)(O)O RT18565 [0,1,0,0,0,0|0,1,0]=2 297 B4R0.3 C[Sn](C)(Br)Br HL2337 [0,1,0,0,0,0|2,0,0]=3 298 B4R0.3 C[Sn](C)(C)Br LQ1606 [0,1,0,0,0,0|2,0,0]=3 299 B4R0.3 C[Sn](C)(C)C LQ1093 [0,1,0,0,0,0|2,0,0]=3 300 B4R0.3 C[Sn](C)(C)O LQ0041 [0,1,0,0,0,0|1,0,0]=2 301 B4R0.3 C[Sn](C)(Cl)Cl XJ1304 [0,1,0,0,0,0|2,0,0]=3 302 B4R0.3 ClC(Br)(Br)Br RT13515 [0,1,0,0,0,0|3,0,0]=4 303 B4R0.3 FC(F)(F)S LQ2561 [0,1,0,0,0,0|2,1,0]=4 304 B4R0.3 NS(=O)(=O)O LT4073 [0,1,0,0,0,0|3,0,0]=4 305 B4R0.3 O=P(O)(O)O YH18504 [0,1,0,0,0,0|3,0,0]=4 306 B4R0.3 O=P([O-])(O)O LT3681 [0,1,0,0,0,0|3,0,0]=4 307 B4R0.3 O=P([O-])(O)O XJ1897 [0,1,0,0,0,0|3,0,0]=4 308 B4R0.3 O=S(=O)(O)O RT4964 [0,1,0,0,0,0|3,0,0]=4 309 B4R0.3 O=S(=O)(O)O RT4966 [0,1,0,0,0,0|3,0,0]=4 310 B4R0.3 O=S(=O)(O)O YH20408 [0,1,0,0,0,0|3,0,0]=4 311 B4R0.3 O=S(O)(O)=S YH18531 [0,1,0,0,0,0|3,0,0]=4 312 B4R0.3 [2H]C([2H])(Cl)Br RT13511 [0,1,0,0,0,0|3,0,0]=4 313 B4R1.2 BrC1CC1 JZ2471 [0,0,0,1,0,0|1,0,0]=2 314 B4R1.2 CC1=CC1 LQ2353 [0,0,0,1,0,0|1,0,1]=3 315 B4R1.2 CC1CN1 RT4107 [0,0,0,1,0,0|1,0,0]=2 316 B4R1.2 C[C@H]1CO1 XJ4234 [0,0,0,1,0,0|0,0,0]=1 317 B4R1.2 ClC1CC1 XJ1608 [0,0,0,1,0,0|1,0,0]=2 318 B4R1.2 [C@@H]1(C)CO1 YH36802 [0,0,0,1,0,0|0,0,0]=1 319 B1R0.1 C#[O+] LQ4581 [2,0,0,0,0,0|0,0,2]=4 320 B1R0.1 C=C LQ3489 [2,0,0,0,0,0|0,0,2]=4 321 B1R0.1 C=C XJ3674 [2,0,0,0,0,0|0,0,2]=4 322 B1R0.1 C=O LQ3496 [2,0,0,0,0,0|0,0,2]=4 323 B1R0.1 C=O XJ5274 [2,0,0,0,0,0|0,0,2]=4 324 B1R0.1 CC RT18521 [2,0,0,0,0,0|0,0,0]=2 325 B1R0.1 C[O-] JZ4928 [2,0,0,0,0,0|0,0,1]=3 326 B1R0.1 C[O-] LQ2241 [2,0,0,0,0,0|0,0,1]=3 327 B1R0.1 C[O-] XJ1374 [2,0,0,0,0,0|0,0,1]=3 328 B1R0.1 C[O-] XJ1510 [2,0,0,0,0,0|0,0,1]=3 329 B1R0.1 C[O-] XJ3898 [2,0,0,0,0,0|0,0,1]=3 330 B1R0.1 Cl[Re] JZ4861 [2,0,0,0,0,0|2,0,0]=4 331 B1R0.1 O=O XJ3353 [2,0,0,0,0,0|1,0,1]=4 332 B1R0.1 [AlH3]#P LT3685 [2,0,0,0,0,0|2,0,0]=4 333 B1R0.1 [C-2]#C XJ5562 [2,0,0,0,0,0|0,0,2]=4 334 B1R0.1 [C-]#N HL0111 [2,0,0,0,0,0|1,0,1]=4 335 B1R0.1 [C-]#N JZ4995 [2,0,0,0,0,0|1,0,1]=4 336 B1R0.1 [C-]#N JZ5157 [2,0,0,0,0,0|1,0,1]=4 337 B1R0.1 [C-]#N LQ1026 [2,0,0,0,0,0|1,0,1]=4 338 B1R0.1 [C-]#N LQ1028 [2,0,0,0,0,0|1,0,1]=4 339 B1R0.1 [C-]#N XJ2023 [2,0,0,0,0,0|1,0,1]=4 340 B1R0.1 [C-]#N XJ3974 [2,0,0,0,0,0|1,0,1]=4 341 B1R0.1 [C-]#N XJ4013 [2,0,0,0,0,0|1,0,1]=4 342 B1R0.1 [C-]#N XJ4594 [2,0,0,0,0,0|1,0,1]=4 343 B1R0.1 [C-]#N YH06419 [2,0,0,0,0,0|1,0,1]=4 344 B1R0.1 [C-]#[Cr] LT4539 [2,0,0,0,0,0|1,0,1]=4 345 B1R0.1 [C-]#[O+] JZ3492 [2,0,0,0,0,0|0,0,2]=4 346 B1R0.1 [C-]#[O+] JZ4829 [2,0,0,0,0,0|0,0,2]=4 347 B1R0.1 [C-]#[O+] JZ4857 [2,0,0,0,0,0|0,0,2]=4 348 B1R0.1 [C-]#[O+] JZ5201 [2,0,0,0,0,0|0,0,2]=4 349 B1R0.1 [C-]#[O+] LQ3701 [2,0,0,0,0,0|0,0,2]=4 350 B1R0.1 [C-]#[O+] LQ3892 [2,0,0,0,0,0|0,0,2]=4 351 B1R0.1 [C-]#[O+] XJ3546 [2,0,0,0,0,0|0,0,2]=4 352 B1R0.1 [C-]#[O+] XJ4059 [2,0,0,0,0,0|0,0,2]=4 353 B1R0.1 [CH-]=O LQ4060 [2,0,0,0,0,0|0,0,2]=4 354 B3R0.1 C#CCCl XJ1172 [1,1,0,0,0,0|0,0,2]=4 355 B3R0.1 C#CCN RT16379 [1,1,0,0,0,0|0,0,2]=4 356 B3R0.1 C#CCN XJ2196 [1,1,0,0,0,0|0,0,2]=4 357 B3R0.1 C=C=CC HL0077 [1,1,0,0,0,0|0,0,2]=4 358 B3R0.1 C=CCBr RT17399 [1,1,0,0,0,0|0,0,2]=4 359 B3R0.1 C=CCC HL1334 [1,1,0,0,0,0|0,0,1]=3 360 B3R0.1 C=CCI LQ1006 [1,1,0,0,0,0|0,0,2]=4 361 B3R0.1 C=CCN XJ6235 [1,1,0,0,0,0|0,0,2]=4 362 B3R0.1 C=CCO LT3384 [1,1,0,0,0,0|0,0,1]=3 363 B3R0.1 C=CCS LT3385 [1,1,0,0,0,0|0,0,2]=4 364 B3R0.1 CCC=S LT2311 [1,1,0,0,0,0|0,0,1]=3 365 B3R0.1 CCCCl XJ0925 [1,1,0,0,0,0|0,0,0]=2 366 B3R0.1 CCON LT7287 [1,1,0,0,0,0|0,0,0]=2 367 B3R0.1 CCSC XJ1178 [1,1,0,0,0,0|0,0,0]=2 368 B3R0.1 CN=C=O XJ1176 [1,1,0,0,0,0|0,0,2]=4 369 B3R0.1 CNOC LT1363 [1,1,0,0,0,0|1,0,0]=3 370 B3R0.1 COCCl RT17912 [1,1,0,0,0,0|1,0,0]=3 371 B3R0.1 CSC#N LQ1008 [1,1,0,0,0,0|1,0,1]=4 372 B3R0.1 CSCCl LQ2158 [1,1,0,0,0,0|1,0,0]=3 373 B3R0.1 C\C=N\O LT3638 [1,1,0,0,0,0|0,0,1]=3 374 B3R0.1 ClCCCl XJ5613 [1,1,0,0,0,0|1,0,0]=3 375 B3R0.1 FCCBr XJ1331 [1,1,0,0,0,0|1,0,0]=3 376 B3R0.1 N#CCI XJ1173 [1,1,0,0,0,0|1,0,1]=4 377 B3R0.1 N#CCN JZ2807 [1,1,0,0,0,0|1,0,1]=4 378 B3R0.1 N#CCN YH65552 [1,1,0,0,0,0|1,0,1]=4 379 B3R0.1 NCCCl XJ1403 [1,1,0,0,0,0|1,0,0]=3 380 B3R0.1 NCCN JZ1006 [1,1,0,0,0,0|1,0,0]=3 381 B3R0.1 NCCN JZ4960 [1,1,0,0,0,0|1,0,0]=3 382 B3R0.1 NCCN LT5412 [1,1,0,0,0,0|1,0,0]=3 383 B3R0.1 NCCN LT7506 [1,1,0,0,0,0|1,0,0]=3 384 B3R0.1 NCCN XJ4257 [1,1,0,0,0,0|1,0,0]=3 385 B3R0.1 NCCO XJ0576 [1,1,0,0,0,0|0,0,0]=2 386 B3R0.1 NCCS LL0054 [1,1,0,0,0,0|0,1,0]=3 387 B3R0.1 NCCS LQ0646 [1,1,0,0,0,0|0,1,0]=3 388 B3R0.1 OCCBr XJ0924 [1,1,0,0,0,0|0,0,0]=2 389 B3R0.1 OCCO LT7654 [1,1,0,0,0,0|0,0,0]=2 390 B3R0.1 [2H]OCC RT1050 [1,1,0,0,0,0|0,0,0]=2 391 B3R0.1 [Li]CCC LQ1980 [1,1,0,0,0,0|0,0,0]=2 392 B3R0.1 [O-]CC[O-] RT16375 [1,1,0,0,0,0|0,0,1]=3 393 B5R0.1 BrCCC(Br)Br YH44143 [0,2,0,0,0,0|2,0,0]=4 394 B5R0.1 C#CCC(C)O LQ2032 [0,2,0,0,0,0|0,0,0]=2 395 B5R0.1 C#CCN(C)C LQ3198 [0,2,0,0,0,0|2,0,0]=4 396 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,2,0,0,0,0|1,0,1]=4 397 B5R0.1 C=C(C)OCC LT1730 [0,2,0,0,0,0|0,0,2]=4 398 B5R0.1 C=CCC(C)C LQ1324 [0,2,0,0,0,0|1,0,0]=3 399 B5R0.1 C=CCC(C)O XJ1184 [0,2,0,0,0,0|0,0,0]=2 400 B5R0.1 C=CCN(C)C JZ1867 [0,2,0,0,0,0|2,0,0]=4 401 B5R0.1 C=COC(C)=O LQ0375 [0,2,0,0,0,0|1,0,1]=4 402 B5R0.1 C=COC(C)=O LQ4456 [0,2,0,0,0,0|1,0,1]=4 403 B5R0.1 C=COC(C)=O XJ3468 [0,2,0,0,0,0|1,0,1]=4 404 B5R0.1 CC#C[C@H](C)O HL4870 [0,2,0,0,0,0|0,0,0]=2 405 B5R0.1 CC(=O)CC#N HL2246 [0,2,0,0,0,0|0,0,2]=4 406 B5R0.1 CC(=O)CC=O XJ1186 [0,2,0,0,0,0|0,0,2]=4 407 B5R0.1 CC(=O)CCS XJ5155 [0,2,0,0,0,0|0,0,2]=4 408 B5R0.1 CC(=O)\C=N\O LT6064 [0,2,0,0,0,0|1,0,1]=4 409 B5R0.1 CC(Br)CCBr HL1367 [0,2,0,0,0,0|1,0,0]=3 410 B5R0.1 CC(C)=CCBr YH91045 [0,2,0,0,0,0|1,0,1]=4 411 B5R0.1 CC(C)=CCN YH33589 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.1 CC(C)=CCO LT3091 [0,2,0,0,0,0|0,0,1]=3 413 B5R0.1 CC(C)CC#N XJ1183 [0,2,0,0,0,0|1,0,0]=3 414 B5R0.1 CC(C)CCCl HL1371 [0,2,0,0,0,0|1,0,0]=3 415 B5R0.1 CC(C)CCI XJ0935 [0,2,0,0,0,0|1,0,0]=3 416 B5R0.1 CC(C)N=C=O LT4097 [0,2,0,0,0,0|0,0,1]=3 417 B5R0.1 CC(C)OC=O XJ1196 [0,2,0,0,0,0|0,0,0]=2 418 B5R0.1 CC(O)CC=O HL1375 [0,2,0,0,0,0|0,0,0]=2 419 B5R0.1 CCCC(C)C HL1370 [0,2,0,0,0,0|1,0,0]=3 420 B5R0.1 CCCC(C)C HL4500 [0,2,0,0,0,0|1,0,0]=3 421 B5R0.1 CCC[C@H](C)O LQ4668 [0,2,0,0,0,0|0,0,0]=2 422 B5R0.1 CCNC(C)=O XJ1192 [0,2,0,0,0,0|0,0,2]=4 423 B5R0.1 CCOC(=O)O XJ1147 [0,2,0,0,0,0|1,0,1]=4 424 B5R0.1 CCO[Si](=O)O JZ3510 [0,2,0,0,0,0|1,1,0]=4 425 B5R0.1 CCSC(C)=O HL4138 [0,2,0,0,0,0|0,0,2]=4 426 B5R0.1 CCSC(C)=O XJ1197 [0,2,0,0,0,0|0,0,2]=4 427 B5R0.1 CN(C)CCCl HL2802 [0,2,0,0,0,0|2,0,0]=4 428 B5R0.1 CN(C)CCN HL1382 [0,2,0,0,0,0|2,0,0]=4 429 B5R0.1 CN(C)CCO HL1383 [0,2,0,0,0,0|1,0,0]=3 430 B5R0.1 CN(C)CCS LT4952 [0,2,0,0,0,0|1,1,0]=4 431 B5R0.1 CNCC(=O)O JZ4055 [0,2,0,0,0,0|1,0,1]=4 432 B5R0.1 CNCC(=O)O RT0428 [0,2,0,0,0,0|1,0,1]=4 433 B5R0.1 COCC(C)=O LT7464 [0,2,0,0,0,0|0,0,2]=4 434 B5R0.1 COCC(C)N XJ5266 [0,2,0,0,0,0|1,0,0]=3 435 B5R0.1 COC[C@H](C)N XJ6713 [0,2,0,0,0,0|1,0,0]=3 436 B5R0.1 CSCC(=O)O XJ2185 [0,2,0,0,0,0|1,0,1]=4 437 B5R0.1 C[AlH3](C)C[Ti]Cl LL1155 [0,2,0,0,0,0|2,0,0]=4 438 B5R0.1 C[C@@H](N)CC#N YH66415 [0,2,0,0,0,0|1,0,0]=3 439 B5R0.1 C[C@@H](N)CCO RT0497 [0,2,0,0,0,0|1,0,0]=3 440 B5R0.1 C[C@@H](O)CCO SY0267 [0,2,0,0,0,0|0,0,0]=2 441 B5R0.1 C[C@H](N)CC#N YH66374 [0,2,0,0,0,0|1,0,0]=3 442 B5R0.1 C\C(Cl)=C\CCl LQ1508 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.1 C\C(Cl)=C\CO RT17544 [0,2,0,0,0,0|1,0,1]=4 444 B5R0.1 C\C(I)=C/CO RT17534 [0,2,0,0,0,0|1,0,1]=4 445 B5R0.1 C\C=C\C(=O)O HL1378 [0,2,0,0,0,0|1,0,1]=4 446 B5R0.1 NCCC(=O)O JZ0318 [0,2,0,0,0,0|1,0,1]=4 447 B5R0.1 NOCC(=O)O RT0527 [0,2,0,0,0,0|1,0,1]=4 448 B5R0.1 O=C(O)CCBr HL0088 [0,2,0,0,0,0|1,0,1]=4 449 B5R0.1 O=C(O)CCS SY0092 [0,2,0,0,0,0|1,0,1]=4 450 B5R0.3 BrCC(Br)CBr LL0220 [0,2,0,0,0,0|1,0,0]=3 451 B5R0.3 C#CC(O)C#C LX2205 [0,2,0,0,0,0|0,0,2]=4 452 B5R0.3 C#CC(O)CC HL2704 [0,2,0,0,0,0|0,0,1]=3 453 B5R0.3 C=C(CC)CC XJ1324 [0,2,0,0,0,0|1,0,1]=4 454 B5R0.3 C=CC(C)CC XJ1323 [0,2,0,0,0,0|1,0,0]=3 455 B5R0.3 C=CC(O)C=C HL0553 [0,2,0,0,0,0|0,0,2]=4 456 B5R0.3 C=CC(O)CO RT18762 [0,2,0,0,0,0|0,0,1]=3 457 B5R0.3 C=C[C@@H](N)CO YH53874 [0,2,0,0,0,0|1,0,1]=4 458 B5R0.3 C=C[C@H](N)CO LX2169 [0,2,0,0,0,0|1,0,1]=4 459 B5R0.3 CC(CO)CO JZ1881 [0,2,0,0,0,0|0,0,0]=2 460 B5R0.3 CCC(=O)NC JZ4434 [0,2,0,0,0,0|0,0,2]=4 461 B5R0.3 CCC(Br)CC XJ1961 [0,2,0,0,0,0|1,0,0]=3 462 B5R0.3 CCC(C)C=O LL0224 [0,2,0,0,0,0|0,0,1]=3 463 B5R0.3 CCC(C)CBr LQ2987 [0,2,0,0,0,0|1,0,0]=3 464 B5R0.3 CCC(C)CBr LQ3410 [0,2,0,0,0,0|1,0,0]=3 465 B5R0.3 CCC(C)CC LL0223 [0,2,0,0,0,0|1,0,0]=3 466 B5R0.3 CCC(C)CCl LQ1182 [0,2,0,0,0,0|1,0,0]=3 467 B5R0.3 CCC(C)CO LL0587 [0,2,0,0,0,0|0,0,0]=2 468 B5R0.3 CCC(C)NC LQ3344 [0,2,0,0,0,0|1,0,0]=3 469 B5R0.3 CCC(Cl)CCl LQ1184 [0,2,0,0,0,0|1,0,0]=3 470 B5R0.3 CCC(N)CC LQ1186 [0,2,0,0,0,0|1,0,0]=3 471 B5R0.3 CCC(N)CO LL0227 [0,2,0,0,0,0|1,0,0]=3 472 B5R0.3 CCC(S)CS XJ4247 [0,2,0,0,0,0|0,1,0]=3 473 B5R0.3 CCN(C)CC LQ1190 [0,2,0,0,0,0|2,0,0]=4 474 B5R0.3 CCN(C)N=O RT17894 [0,2,0,0,0,0|1,0,1]=4 475 B5R0.3 CCN(O)CC HL2577 [0,2,0,0,0,0|1,0,0]=3 476 B5R0.3 CC[C@@H](C)CO LQ1183 [0,2,0,0,0,0|0,0,0]=2 477 B5R0.3 CC[C@@H](O)CO LQ5013 [0,2,0,0,0,0|0,0,0]=2 478 B5R0.3 CC[C@H](C)CBr LL0949 [0,2,0,0,0,0|1,0,0]=3 479 B5R0.3 CC[C@H](O)CO HL4502 [0,2,0,0,0,0|0,0,0]=2 480 B5R0.3 CC\C(C)=N\O LL0233 [0,2,0,0,0,0|0,0,1]=3 481 B5R0.3 COC(=O)CN RT5049 [0,2,0,0,0,0|0,0,2]=4 482 B5R0.3 COC(=O)OC LQ1189 [0,2,0,0,0,0|0,0,2]=4 483 B5R0.3 CS\C(C)=N/O RT1099 [0,2,0,0,0,0|0,0,1]=3 484 B5R0.3 C\C(=C/Br)CBr RT0636 [0,2,0,0,0,0|1,0,1]=4 485 B5R0.3 C\C(=C/Br)CO RT0550 [0,2,0,0,0,0|0,0,2]=4 486 B5R0.3 C\C=C(/C)C=O XJ0816 [0,2,0,0,0,0|0,0,2]=4 487 B5R0.3 N#CC(Br)CBr HL2792 [0,2,0,0,0,0|1,0,1]=4 488 B5R0.3 NC(CO)CO LL1303 [0,2,0,0,0,0|1,0,0]=3 489 B5R0.3 NCC(O)CN LQ1188 [0,2,0,0,0,0|0,0,0]=2 490 B5R0.3 NCC(O)CO JZ0486 [0,2,0,0,0,0|0,0,0]=2 491 B5R0.3 NC[C@H](O)CO YH09994 [0,2,0,0,0,0|0,0,0]=2 492 B5R0.3 NC[C@H](O)CO YH45696 [0,2,0,0,0,0|0,0,0]=2 493 B5R0.3 O=C(CBr)CBr LQ1454 [0,2,0,0,0,0|0,0,2]=4 494 B5R0.3 O=C(CF)CF CJ2432 [0,2,0,0,0,0|0,0,2]=4 495 B5R0.3 O=C(CI)CI RT0766 [0,2,0,0,0,0|0,0,2]=4 496 B5R0.3 O=C(CO)CO LL1029 [0,2,0,0,0,0|0,0,2]=4 497 B5R0.3 O=CC(Br)CBr LT1309 [0,2,0,0,0,0|1,0,1]=4 498 B5R0.3 O=CC(O)C=O RT17553 [0,2,0,0,0,0|0,0,2]=4 499 B5R0.3 O=C[C@H](O)CO LT7747 [0,2,0,0,0,0|0,0,1]=3 500 B5R0.3 OC(CBr)CBr LL0228 [0,2,0,0,0,0|0,0,0]=2 501 B5R0.3 OC(CCl)CCl LL0229 [0,2,0,0,0,0|0,0,0]=2 502 B5R0.3 OCC(Br)CBr LL0222 [0,2,0,0,0,0|1,0,0]=3 503 B5R0.3 OCC(Br)CO RT0384 [0,2,0,0,0,0|1,0,0]=3 504 B5R0.3 OCC(Cl)CCl LQ1185 [0,2,0,0,0,0|1,0,0]=3 505 B5R0.3 OCC(Cl)CO RT1084 [0,2,0,0,0,0|1,0,0]=3 506 B5R0.3 OCC(O)CBr RT0218 [0,2,0,0,0,0|0,0,0]=2 507 B5R0.3 OCC(O)CCl LL0230 [0,2,0,0,0,0|0,0,0]=2 508 B5R0.3 OCC(O)CI RT1254 [0,2,0,0,0,0|0,0,0]=2 509 B5R0.3 OCC(O)CO LT6375 [0,2,0,0,0,0|0,0,0]=2 510 B5R0.3 OCC(O)CO RT14397 [0,2,0,0,0,0|0,0,0]=2 511 B5R0.3 OCC(O)CO XJ4849 [0,2,0,0,0,0|0,0,0]=2 512 B5R0.3 OCC(O)CS LL0232 [0,2,0,0,0,0|0,0,0]=2 513 B5R0.3 OC[C@H](O)CBr YH33404 [0,2,0,0,0,0|0,0,0]=2 514 B5R0.3 OC[C@H](O)CCl LT5275 [0,2,0,0,0,0|0,0,0]=2 515 B5R0.3 O[13CH2][13CH](O)[13CH2]O RT1008 [0,2,0,0,0,0|0,0,0]=2 516 B5R0.4 BrCC(Br)(Br)Br JZ5646 [0,2,0,0,0,0|2,0,0]=4 517 B5R0.4 C#CC(C)(C)Br XJ3073 [0,2,0,0,0,0|1,0,0]=3 518 B5R0.4 C#CC(C)(C)C YH95703 [0,2,0,0,0,0|1,0,0]=3 519 B5R0.4 C#CC(C)(C)N XJ2319 [0,2,0,0,0,0|1,0,0]=3 520 B5R0.4 C#CC(C)(C)O HL1447 [0,2,0,0,0,0|0,0,0]=2 521 B5R0.4 C#C[Si](C)(C)C LQ1610 [0,2,0,0,0,0|1,1,0]=4 522 B5R0.4 C=CC(C)(C)O HL1446 [0,2,0,0,0,0|0,0,0]=2 523 B5R0.4 CC(C)(Br)CCl HL2125 [0,2,0,0,0,0|1,0,0]=3 524 B5R0.4 CC(C)(C)C=O RT1153 [0,2,0,0,0,0|0,0,1]=3 525 B5R0.4 CC(C)(C)CBr LQ1283 [0,2,0,0,0,0|1,0,0]=3 526 B5R0.4 CC(C)(C)CCl XJ1305 [0,2,0,0,0,0|1,0,0]=3 527 B5R0.4 CC(C)(C)CO LQ0123 [0,2,0,0,0,0|0,0,0]=2 528 B5R0.4 CC(C)(C)OCl RT17559 [0,2,0,0,0,0|0,0,0]=2 529 B5R0.4 CC(C)(F)CBr YH65172 [0,2,0,0,0,0|1,0,0]=3 530 B5R0.4 CC(C)(F)CO RT0499 [0,2,0,0,0,0|0,0,0]=2 531 B5R0.4 CC(C)(N)CO LT0229 [0,2,0,0,0,0|0,0,0]=2 532 B5R0.4 CC(C)(O)CBr RT16393 [0,2,0,0,0,0|0,0,0]=2 533 B5R0.4 CC(C)(O)CCl LQ1048 [0,2,0,0,0,0|0,0,0]=2 534 B5R0.4 CC(C)(O)CO RT1147 [0,2,0,0,0,0|0,0,0]=2 535 B5R0.4 CC(C)(S)CN LX2484 [0,2,0,0,0,0|0,1,0]=3 536 B5R0.4 CC(F)(F)CO YH55117 [0,2,0,0,0,0|1,0,0]=3 537 B5R0.4 CCC(C)(C)Cl LQ1095 [0,2,0,0,0,0|1,0,0]=3 538 B5R0.4 CCC(C)(C)N LQ1096 [0,2,0,0,0,0|1,0,0]=3 539 B5R0.4 CCC(C)(C)[O-] LL2022 [0,2,0,0,0,0|0,0,1]=3 540 B5R0.4 CCC(C)(Cl)Cl LQ2644 [0,2,0,0,0,0|1,0,0]=3 541 B5R0.4 CCC(Cl)(Cl)Cl XJ4875 [0,2,0,0,0,0|2,0,0]=4 542 B5R0.4 CCS(=O)(=O)O LQ1100 [0,2,0,0,0,0|2,0,0]=4 543 B5R0.4 CCS(C)(=O)=O LQ1098 [0,2,0,0,0,0|1,0,1]=4 544 B5R0.4 CNS(C)(=O)=O JZ4425 [0,2,0,0,0,0|1,0,1]=4 545 B5R0.4 CS(=O)(=O)O[Ag] JZ1955 [0,2,0,0,0,0|2,0,0]=4 546 B5R0.4 CSC(C)(C)C XJ3040 [0,2,0,0,0,0|0,1,0]=3 547 B5R0.4 C[N+](C)(C)CI XJ5407 [0,2,0,0,0,0|2,0,0]=4 548 B5R0.4 C[Si](C)(C)CCl LT7112 [0,2,0,0,0,0|1,1,0]=4 549 B5R0.4 C[Si](C)(C)CN YH41576 [0,2,0,0,0,0|1,1,0]=4 550 B5R0.4 C[Si](C)(Cl)CCl LT7108 [0,2,0,0,0,0|1,1,0]=4 551 B5R0.4 ClC(Cl)(Br)CBr LQ0121 [0,2,0,0,0,0|2,0,0]=4 552 B5R0.4 ClCC(Cl)(Cl)Cl XJ0082 [0,2,0,0,0,0|2,0,0]=4 553 B5R0.4 NCC(F)(F)F XJ0721 [0,2,0,0,0,0|2,0,0]=4 554 B5R0.4 NCC(F)(F)F XJ1306 [0,2,0,0,0,0|2,0,0]=4 555 B5R0.4 NCP(=O)(O)O LQ1609 [0,2,0,0,0,0|2,0,0]=4 556 B5R0.4 NCS(=O)(=O)O SY0138 [0,2,0,0,0,0|2,0,0]=4 557 B5R0.4 OCC(Br)(Br)Br JZ4523 [0,2,0,0,0,0|2,0,0]=4 558 B5R0.4 OCC(Br)(Br)Br LQ0120 [0,2,0,0,0,0|2,0,0]=4 559 B5R0.4 OCC(F)(F)F LQ0127 [0,2,0,0,0,0|2,0,0]=4 560 B5R0.4 [2H]OC(C)(C)C RT17778 [0,2,0,0,0,0|0,0,0]=2 561 B5R0.5 BrC(Br)C(Br)Br XJ0078 [0,2,0,0,0,0|2,0,0]=4 562 B5R0.5 C=C(C)C(=O)O XJ0087 [0,2,0,0,0,0|0,0,2]=4 563 B5R0.5 C=C(C)C(C)=O LQ1438 [0,2,0,0,0,0|0,0,2]=4 564 B5R0.5 C=C(C)C(C)C LQ1068 [0,2,0,0,0,0|1,0,0]=3 565 B5R0.5 CC(=O)C(C)=O RT1203 [0,2,0,0,0,0|0,0,2]=4 566 B5R0.5 CC(=O)C(C)Br LQ1437 [0,2,0,0,0,0|1,0,0]=3 567 B5R0.5 CC(=O)C(C)S LT2609 [0,2,0,0,0,0|0,1,0]=3 568 B5R0.5 CC(=O)C(Cl)Cl HL1927 [0,2,0,0,0,0|0,0,2]=4 569 B5R0.5 CC(=O)N(C)C LT7398 [0,2,0,0,0,0|0,0,2]=4 570 B5R0.5 CC(=S)N(C)C LQ1296 [0,2,0,0,0,0|0,1,1]=4 571 B5R0.5 CC(Br)C(=O)O LQ1147 [0,2,0,0,0,0|1,0,0]=3 572 B5R0.5 CC(C)=C(C)C LQ1069 [0,2,0,0,0,0|1,0,1]=4 573 B5R0.5 CC(C)B(O)O XJ6433 [0,2,0,0,0,0|0,0,0]=2 574 B5R0.5 CC(C)C(=O)[O-] JZ5651 [0,2,0,0,0,0|0,0,1]=3 575 B5R0.5 CC(C)C(=O)[O-] YH98974 [0,2,0,0,0,0|0,0,1]=3 576 B5R0.5 CC(C)C(C)C XJ0079 [0,2,0,0,0,0|1,0,0]=3 577 B5R0.5 CC(C)C(C)N LQ1148 [0,2,0,0,0,0|1,0,0]=3 578 B5R0.5 CC(C)C(C)O LQ1149 [0,2,0,0,0,0|0,0,0]=2 579 B5R0.5 CC(C)C(C)S HL2141 [0,2,0,0,0,0|0,1,0]=3 580 B5R0.5 CC(C)C(N)=O LQ1071 [0,2,0,0,0,0|0,0,1]=3 581 B5R0.5 CC(C)N(=O)=O XJ0090 [0,2,0,0,0,0|0,0,1]=3 582 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,2,0,0,0,0|0,0,1]=3 583 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,2,0,0,0,0|0,0,1]=3 584 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,2,0,0,0,0|0,0,1]=3 585 B5R0.5 CC(O)C(C)O HL1925 [0,2,0,0,0,0|0,0,0]=2 586 B5R0.5 CC(O)C(C)O HL3363 [0,2,0,0,0,0|0,0,0]=2 587 B5R0.5 CC(O)C(C)S LT3134 [0,2,0,0,0,0|0,0,0]=2 588 B5R0.5 CC(S)C(C)S HL2771 [0,2,0,0,0,0|0,1,0]=3 589 B5R0.5 CN(C)C(=O)Cl LT7881 [0,2,0,0,0,0|1,0,1]=4 590 B5R0.5 CN(C)C(=S)Cl LT7773 [0,2,0,0,0,0|1,1,0]=4 591 B5R0.5 CN(C)C(=S)[S-] LQ0527 [0,2,0,0,0,0|1,1,0]=4 592 B5R0.5 CN(C)C(=S)[S-] LQ3837 [0,2,0,0,0,0|1,1,0]=4 593 B5R0.5 CN(C)P(Cl)Cl HL0362 [0,2,0,0,0,0|2,0,0]=4 594 B5R0.5 CN(O)C(N)=O RT18824 [0,2,0,0,0,0|1,0,1]=4 595 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,2,0,0,0,0|1,0,0]=3 596 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,2,0,0,0,0|1,0,0]=3 597 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,2,0,0,0,0|1,0,1]=4 598 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,2,0,0,0,0|1,0,1]=4 599 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,2,0,0,0,0|0,0,1]=3 600 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,2,0,0,0,0|0,0,1]=3 601 B5R0.5 C[C@H](O)[C@H](C)O JZ5301 [0,2,0,0,0,0|0,0,0]=2 602 B5R0.5 O=C(O)C(Br)I RT0702 [0,2,0,0,0,0|1,0,1]=4 603 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,2,0,0,0,0|1,0,1]=4 604 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,2,0,0,0,0|1,0,1]=4 605 B5R0.5 O=C(O)C(Cl)I RT0646 [0,2,0,0,0,0|1,0,1]=4 606 B5R0.5 O=C(O)C(I)I RT0771 [0,2,0,0,0,0|1,0,1]=4 607 B5R0.5 [2H]C(=O)N(C)C JZ2134 [0,2,0,0,0,0|1,0,1]=4 608 B3R1.1 C1CS1 LL0755 [1,0,0,1,0,0|0,1,0]=3 609 B5R1.2 BrC1CCC1 LT7156 [0,1,0,1,0,0|1,0,0]=3 610 B5R1.2 FC1CNC1 RT4119 [0,1,0,1,0,0|1,0,0]=3 611 B5R1.2 FC1CNC1 YH65878 [0,1,0,1,0,0|1,0,0]=3 612 B5R1.2 IC1COC1 YH65509 [0,1,0,1,0,0|1,0,0]=3 613 B5R1.2 NC1COC1 LQ4263 [0,1,0,1,0,0|1,0,0]=3 614 B5R1.2 NC1COC1 YH65543 [0,1,0,1,0,0|1,0,0]=3 615 B5R1.2 O=C1CCC1 LT7155 [0,1,0,1,0,0|0,0,2]=4 616 B5R1.2 O=C1CNC1 LQ4009 [0,1,0,1,0,0|0,0,2]=4 617 B5R1.2 O=C1COC1 LQ3137 [0,1,0,1,0,0|0,0,2]=4 618 B5R1.2 O=C1CSC1 YH65134 [0,1,0,1,0,0|0,0,2]=4 619 B5R1.2 OC1CCC1 JZ2141 [0,1,0,1,0,0|0,0,0]=2 620 B5R1.2 OC1CNC1 LQ5145 [0,1,0,1,0,0|0,0,0]=2 621 B5R1.2 OC1CNC1 LX2402 [0,1,0,1,0,0|0,0,0]=2 622 B5R1.2 OC1COC1 JZ3200 [0,1,0,1,0,0|0,0,0]=2 623 B5R1.3 BrCC1CC1 LT6195 [0,1,0,1,0,0|1,0,0]=3 624 B5R1.3 BrCC1CO1 LQ2403 [0,1,0,1,0,0|0,0,0]=2 625 B5R1.3 Br[Mg]C1CC1 XJ4727 [0,1,0,1,0,0|1,0,0]=3 626 B5R1.3 C=CC1CO1 LQ1542 [0,1,0,1,0,0|0,0,1]=3 627 B5R1.3 CNC1CC1 YH13207 [0,1,0,1,0,0|1,0,0]=3 628 B5R1.3 ClCC1CO1 RT15055 [0,1,0,1,0,0|0,0,0]=2 629 B5R1.3 ClC[C@H]1CO1 LQ5216 [0,1,0,1,0,0|0,0,0]=2 630 B5R1.3 N#CC1CO1 RT14822 [0,1,0,1,0,0|0,0,1]=3 631 B5R1.3 NCC1CC1 HL2308 [0,1,0,1,0,0|1,0,0]=3 632 B5R1.3 O=CC1CC1 HL0901 [0,1,0,1,0,0|0,0,1]=3 633 B5R1.3 OCC1CC1 LT7741 [0,1,0,1,0,0|0,0,0]=2 634 B5R1.3 OC[C@@H]1CO1 XJ5771 [0,1,0,1,0,0|0,0,0]=2 635 B5R1.3 [C@H]1(CO)CO1 XJ5900 [0,1,0,1,0,0|0,0,0]=2 636 B5R1.4 CC1OC1C XJ2416 [0,1,0,1,0,0|0,0,0]=2 637 B5R1.4 C[C@@H]1O[C@@H]1C XJ1886 [0,1,0,1,0,0|0,0,0]=2