0 B3R0.2 Br[Ir](Br)Br 5635AF [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 C=[N+](C)C X4459 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=N)N 6978AL [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(=O)[O-] Y2043 [0,0,0,0,0,0|1,0,2]=3 4 B3R0.2 CC(=O)[O-] Y2049 [0,0,0,0,0,0|1,0,2]=3 5 B3R0.2 CC(Br)Br 4360AL [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 C[PH](C)=O 3279AL [0,0,0,0,0,0|1,0,1]=2 7 B3R0.2 C[S+](C)C 9165AJ [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 ClC(Cl)Br 8444AJ [0,0,0,0,0,0|3,0,0]=3 9 B3R0.2 Cl[AlH3](Cl)Cl 5469AF [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 Cl[Au](Cl)Cl 6533AH [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 Cl[Lu](Cl)Cl 8355AF [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 Cl[Os](Cl)Cl 8362AF [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 Cl[Rh](Cl)Cl 0627AB [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 Cl[Tb](Cl)Cl 8371AF [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 F[Sb](F)F 8606AF [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 I[Rh](I)I 7785AA [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 NC(N)=O G570 [0,0,0,0,0,0|2,0,2]=4 18 B3R0.2 O=C([O-])O 6221AA [0,0,0,0,0,0|2,0,1]=3 19 B3R0.2 O=I(=O)[O-] Y1930 [0,0,0,0,0,0|3,0,1]=4 20 B3R0.2 O=S(O)O 8693AF [0,0,0,0,0,0|3,0,0]=3 21 B3R0.2 O=S([O-])[O-] 9209AB [0,0,0,0,0,0|3,0,1]=4 22 B3R0.2 O=[N+]([O-])O J70010 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.2 O=[N+]([O-])[O-] 5369AF [0,0,0,0,0,0|3,0,1]=4 24 B3R0.2 O=[N+]([O-])[O-] 8572AF [0,0,0,0,0,0|3,0,1]=4 25 B3R0.2 O=[N+]([O-])[O-] 8722AF [0,0,0,0,0,0|3,0,1]=4 26 B3R0.2 O=[N+]([O-])[O-] J70116 [0,0,0,0,0,0|3,0,1]=4 27 B3R0.2 O=[Te]([O-])[O-] 5213AF [0,0,0,0,0,0|3,0,1]=4 28 B3R0.2 [O-]P([O-])O 5246AF [0,0,0,0,0,0|3,0,0]=3 29 B2R0.1 Br[Hg]Br 5609AF [1,0,0,0,0,0|3,0,0]=4 30 B2R0.1 Br[Pt]Br 5617AF [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 CNC 7704AL [1,0,0,0,0,0|1,0,0]=2 32 B2R0.1 Cl[Cu]Cl 8310AF [1,0,0,0,0,0|3,0,0]=4 33 B2R0.1 Cl[Pd]Cl K313 [1,0,0,0,0,0|3,0,0]=4 34 B2R0.1 Cl[Pt]Cl 6761AA [1,0,0,0,0,0|3,0,0]=4 35 B2R0.1 F[Zn]F 8586AF [1,0,0,0,0,0|3,0,0]=4 36 B2R0.1 I[Ba]I 5557AF [1,0,0,0,0,0|3,0,0]=4 37 B2R0.1 I[Hg]I X5988 [1,0,0,0,0,0|3,0,0]=4 38 B2R0.1 N=CN 7945AL [1,0,0,0,0,0|2,0,1]=4 39 B2R0.1 O=C[O-] 7946AL [1,0,0,0,0,0|1,0,2]=4 40 B2R0.1 O=C[O-] 8928AL [1,0,0,0,0,0|1,0,2]=4 41 B2R0.1 O=[AlH3][O-] 5047AF [1,0,0,0,0,0|2,0,1]=4 42 B2R0.1 O=[Ir]=O 8780AF [1,0,0,0,0,0|2,0,1]=4 43 B2R0.1 O[Pt]O 4927AB [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 C#CC(C)N 3873AJ [0,1,0,0,0,0|1,0,1]=3 45 B4R0.1 C#C[C@@H](C)O 4141AL [0,1,0,0,0,0|0,0,1]=2 46 B4R0.1 C#C[C@H](C)N 9107AH [0,1,0,0,0,0|1,0,1]=3 47 B4R0.1 C#C[C@H](C)O 4183AL [0,1,0,0,0,0|0,0,1]=2 48 B4R0.1 C=C(F)CCl 6785AE [0,1,0,0,0,0|1,0,2]=4 49 B4R0.1 C=C=C(C)C 6086AL [0,1,0,0,0,0|1,0,1]=3 50 B4R0.1 C=NN(C)C 7943AL [0,1,0,0,0,0|2,0,0]=3 51 B4R0.1 CC(=N)NN 5131AB [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CC(=O)NBr 6847AF [0,1,0,0,0,0|1,0,2]=4 53 B4R0.1 CC(O)CF 7060AF [0,1,0,0,0,0|0,0,0]=1 54 B4R0.1 CCC(=O)Br C859 [0,1,0,0,0,0|1,0,2]=4 55 B4R0.1 CC[SiH](Cl)Cl 7902AL [0,1,0,0,0,0|2,1,0]=4 56 B4R0.1 COP(Cl)Cl X7327 [0,1,0,0,0,0|3,0,0]=4 57 B4R0.1 CSC(C)=O 9061AJ [0,1,0,0,0,0|0,0,2]=3 58 B4R0.1 CSC(C)C 8107AL [0,1,0,0,0,0|0,1,0]=2 59 B4R0.1 CS[S+](C)C 7703AL [0,1,0,0,0,0|1,1,0]=3 60 B4R0.1 C[C@@H](O)CN V4887 [0,1,0,0,0,0|0,0,0]=1 61 B4R0.1 C[C@H](O)CCl E885 [0,1,0,0,0,0|0,0,0]=1 62 B4R0.1 C\C(N)=N/O 5291AE [0,1,0,0,0,0|1,0,1]=3 63 B4R0.1 C\C=C(/C)Cl 5560AL [0,1,0,0,0,0|1,0,1]=3 64 B4R0.1 C\C=C(\C)Cl 4247AL [0,1,0,0,0,0|1,0,1]=3 65 B4R0.1 FC(Cl)CCl 3256AE [0,1,0,0,0,0|2,0,0]=3 66 B4R0.1 N=C(N)CO 6468AB [0,1,0,0,0,0|2,0,1]=4 67 B4R0.1 N=C(N)CO X6638 [0,1,0,0,0,0|2,0,1]=4 68 B4R0.1 NCC(=O)O 7986AL [0,1,0,0,0,0|1,0,1]=3 69 B4R0.1 NCC(=O)[O-] P522 [0,1,0,0,0,0|1,0,2]=4 70 B4R0.1 NCC(=O)[O-] Z1943 [0,1,0,0,0,0|1,0,2]=4 71 B4R0.3 CC(C)(C)N 9036AL [0,1,0,0,0,0|1,0,0]=2 72 B4R0.3 CP(C)(=S)Cl 7720AL [0,1,0,0,0,0|1,1,0]=3 73 B4R0.3 C[Ge](C)(C)Cl Y1383 [0,1,0,0,0,0|1,1,0]=3 74 B4R0.3 C[N+](C)(C)C 8641AB [0,1,0,0,0,0|2,0,0]=3 75 B4R0.3 C[N+](C)(C)C 9124AL [0,1,0,0,0,0|2,0,0]=3 76 B4R0.3 C[P+](C)(C)C X4911 [0,1,0,0,0,0|2,0,0]=3 77 B4R0.3 C[Pt](C)(C)I 7052AA [0,1,0,0,0,0|2,0,0]=3 78 B4R0.3 C[Sn](C)(Cl)Cl 6867AF [0,1,0,0,0,0|2,0,0]=3 79 B4R0.3 FC(F)(I)I 0070AD [0,1,0,0,0,0|3,0,0]=4 80 B4R0.3 O=P([O-])(O)O 5366AA [0,1,0,0,0,0|3,0,0]=4 81 B4R0.3 O=S(=O)(O)O K629 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.3 O[Pt](O)(O)O 7270AB [0,1,0,0,0,0|3,0,0]=4 83 B4R1.2 C[C@H]1CN1 1289AL [0,0,0,1,0,0|1,0,0]=2 84 B1R0.1 Cl[Re] 7674AH [2,0,0,0,0,0|2,0,0]=4 85 B1R0.1 O=[Ag] 7691AH [2,0,0,0,0,0|1,0,1]=4 86 B1R0.1 [C-]#[O+] O525 [2,0,0,0,0,0|0,0,2]=4 87 B1R0.1 [C-]#[O+] Y1394 [2,0,0,0,0,0|0,0,2]=4 88 B1R0.1 [Se]=[Cd] 8261AF [2,0,0,0,0,0|1,1,0]=4 89 B3R0.1 CCCF 3973AE [1,1,0,0,0,0|0,0,0]=2 90 B3R0.1 CCCN 8883AL [1,1,0,0,0,0|0,0,0]=2 91 B3R0.1 C\C=C\Br 4765AL [1,1,0,0,0,0|0,0,2]=4 92 B3R0.1 NCCN 4103AL [1,1,0,0,0,0|1,0,0]=3 93 B3R0.1 NCCN 6791AA [1,1,0,0,0,0|1,0,0]=3 94 B3R0.1 NCCN 6876AF [1,1,0,0,0,0|1,0,0]=3 95 B3R0.1 NCCN 7518AA [1,1,0,0,0,0|1,0,0]=3 96 B3R0.1 NCCN 9393AJ [1,1,0,0,0,0|1,0,0]=3 97 B3R0.1 NCCN E395 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 C#CCC(C)O 6664AL [0,2,0,0,0,0|0,0,0]=2 99 B5R0.1 C=C(C)CCBr Z4377 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.1 C=C(C)CON 4430AJ [0,2,0,0,0,0|0,0,2]=4 101 B5R0.1 C=CCC(=C)C 5694AL [0,2,0,0,0,0|1,0,1]=4 102 B5R0.1 C=COC(C)C 3476AL [0,2,0,0,0,0|0,0,0]=2 103 B5R0.1 CC#CC(C)C 6601AL [0,2,0,0,0,0|1,0,0]=3 104 B5R0.1 CC(Br)CC#N 6005AL [0,2,0,0,0,0|1,0,0]=3 105 B5R0.1 CC(C)=CCCl 7671AJ [0,2,0,0,0,0|1,0,1]=4 106 B5R0.1 CC(C)CCCl 7326AF [0,2,0,0,0,0|1,0,0]=3 107 B5R0.1 CC(C)CON 7310AJ [0,2,0,0,0,0|0,0,0]=2 108 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,2,0,0,0,0|1,0,0]=3 109 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [0,2,0,0,0,0|1,0,0]=3 110 B5R0.1 CC(O)CON 3604AB [0,2,0,0,0,0|0,0,0]=2 111 B5R0.1 CCC=C(C)C 7499AF [0,2,0,0,0,0|1,0,1]=4 112 B5R0.1 CCOC(C)C 7879AL [0,2,0,0,0,0|0,0,0]=2 113 B5R0.1 CCSC(C)C 7880AL [0,2,0,0,0,0|0,1,0]=3 114 B5R0.1 CNCC(C)=O 4565AF [0,2,0,0,0,0|0,0,2]=4 115 B5R0.1 CNCC(C)C 8603AL [0,2,0,0,0,0|1,0,0]=3 116 B5R0.1 CNCC(C)O 5343AD [0,2,0,0,0,0|0,0,0]=2 117 B5R0.1 CNCC(F)F 8440AH [0,2,0,0,0,0|2,0,0]=4 118 B5R0.1 CNOC(C)=O 8699AL [0,2,0,0,0,0|0,0,2]=4 119 B5R0.1 COCC(C)N 0442AC [0,2,0,0,0,0|1,0,0]=3 120 B5R0.1 COC[C@H](C)O W4988 [0,2,0,0,0,0|0,0,0]=2 121 B5R0.1 CS(=O)CCN 4290AE [0,2,0,0,0,0|1,0,1]=4 122 B5R0.1 C[C@@H](O)CC#N 1173AL [0,2,0,0,0,0|0,0,0]=2 123 B5R0.1 C[C@H](N)CCO 3502AC [0,2,0,0,0,0|1,0,0]=3 124 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,2,0,0,0,0|1,0,1]=4 125 B5R0.1 C\C(Cl)=C\CN 9653AD [0,2,0,0,0,0|1,0,1]=4 126 B5R0.1 C\C(Cl)=C\CO X6578 [0,2,0,0,0,0|1,0,1]=4 127 B5R0.1 C\C=C\C(C)C 7501AF [0,2,0,0,0,0|1,0,0]=3 128 B5R0.1 NOCC(=O)O 2959AB [0,2,0,0,0,0|1,0,1]=4 129 B5R0.1 O=C(O)CCF 6350AB [0,2,0,0,0,0|1,0,1]=4 130 B5R0.3 C#CC(O)CC X7089 [0,2,0,0,0,0|0,0,1]=3 131 B5R0.3 C=C(SC)SC 4356AL [0,2,0,0,0,0|1,0,1]=4 132 B5R0.3 C=CC(C)ON 4429AJ [0,2,0,0,0,0|0,0,1]=3 133 B5R0.3 C=C[C@H](N)CO 2392AL [0,2,0,0,0,0|1,0,1]=4 134 B5R0.3 CC(CN)CN 1710AB [0,2,0,0,0,0|1,0,0]=3 135 B5R0.3 CCC(=O)CN X8894 [0,2,0,0,0,0|0,0,2]=4 136 B5R0.3 CCC(=O)CO X5132 [0,2,0,0,0,0|0,0,2]=4 137 B5R0.3 CCC(=S)OC R571 [0,2,0,0,0,0|0,1,1]=4 138 B5R0.3 CCC(C)C#N 9871AA [0,2,0,0,0,0|1,0,0]=3 139 B5R0.3 CCC(C)CCl U282 [0,2,0,0,0,0|1,0,0]=3 140 B5R0.3 CCC(C)CS U578 [0,2,0,0,0,0|0,1,0]=3 141 B5R0.3 CCC(C)NN 9798AD [0,2,0,0,0,0|1,0,0]=3 142 B5R0.3 CCC(O)C#N 7246AF [0,2,0,0,0,0|0,0,1]=3 143 B5R0.3 CCC(O)CBr 4766AL [0,2,0,0,0,0|0,0,0]=2 144 B5R0.3 CCC(S)CS 4441AL [0,2,0,0,0,0|0,1,0]=3 145 B5R0.3 CNC(C)C#N V3698 [0,2,0,0,0,0|1,0,0]=3 146 B5R0.3 CN[C@@H](C)CO X7940 [0,2,0,0,0,0|0,0,0]=2 147 B5R0.3 COC(C)C#N 0627AE [0,2,0,0,0,0|0,0,1]=3 148 B5R0.3 CO[SiH](C)OC I516 [0,2,0,0,0,0|0,1,0]=3 149 B5R0.3 C\C=C(/C)CC 0241AQ [0,2,0,0,0,0|1,0,1]=4 150 B5R0.3 C\C=C(/C)CC 9220AL [0,2,0,0,0,0|1,0,1]=4 151 B5R0.3 C\C=C(\C)CC 7440AL [0,2,0,0,0,0|1,0,1]=4 152 B5R0.3 FCC(Br)CBr 3889AE [0,2,0,0,0,0|1,0,0]=3 153 B5R0.3 NCC(Br)CBr 5327AJ [0,2,0,0,0,0|1,0,0]=3 154 B5R0.3 N\C(CCl)=N/O 0296AE [0,2,0,0,0,0|1,0,1]=4 155 B5R0.3 N\C(CO)=N\O 9010AE [0,2,0,0,0,0|1,0,1]=4 156 B5R0.3 O=C[C@@H](O)CO I485 [0,2,0,0,0,0|0,0,1]=3 157 B5R0.3 O=C[C@H](O)CO I433 [0,2,0,0,0,0|0,0,1]=3 158 B5R0.3 OC(CCl)CBr 7042AF [0,2,0,0,0,0|0,0,0]=2 159 B5R0.3 OC[C@@H](O)CF 1216AL [0,2,0,0,0,0|0,0,0]=2 160 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [0,2,0,0,0,0|1,1,0]=4 161 B5R0.4 CC(C)(Br)C=O 5926AA [0,2,0,0,0,0|0,0,1]=3 162 B5R0.4 CC(C)(I)C#N 5659AL [0,2,0,0,0,0|1,0,0]=3 163 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,2,0,0,0,0|1,0,0]=3 164 B5R0.4 CNS(=O)(=O)O 5637AB [0,2,0,0,0,0|2,0,0]=4 165 B5R0.4 CS[Si](C)(C)C V3240 [0,2,0,0,0,0|0,2,0]=4 166 B5R0.4 C[Si](C)(C)ON 1405AB [0,2,0,0,0,0|0,1,0]=3 167 B5R0.4 C[Si](Cl)(Cl)CCl 7376AL [0,2,0,0,0,0|1,1,0]=4 168 B5R0.4 FC(Cl)(Br)CBr 8194AD [0,2,0,0,0,0|2,0,0]=4 169 B5R0.4 FC(Cl)(Cl)CCl 0041AF [0,2,0,0,0,0|2,0,0]=4 170 B5R0.4 FCC(F)(Cl)Cl 6189AD [0,2,0,0,0,0|2,0,0]=4 171 B5R0.5 C=C(C)B(O)O X6995 [0,2,0,0,0,0|0,0,2]=4 172 B5R0.5 C=C(C)C(C)C 5230AL [0,2,0,0,0,0|1,0,0]=3 173 B5R0.5 CC(=O)C(C)F 0085AF [0,2,0,0,0,0|1,0,0]=3 174 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,2,0,0,0,0|1,0,0]=3 175 B5R0.5 CC(N)C(C)O 7117AF [0,2,0,0,0,0|0,0,0]=2 176 B5R0.5 CC(O)C(=N)N 2094AL [0,2,0,0,0,0|0,0,1]=3 177 B5R0.5 CC(S)C(C)S 9352AJ [0,2,0,0,0,0|0,1,0]=3 178 B5R0.5 CN(C)P(Cl)Cl 6866AF [0,2,0,0,0,0|2,0,0]=4 179 B5R0.5 C[C@@H](O)C(=N)N X6061 [0,2,0,0,0,0|0,0,1]=3 180 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,2,0,0,0,0|1,0,1]=4 181 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,2,0,0,0,0|2,0,0]=4 182 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,2,0,0,0,0|1,0,1]=4 183 B5R0.5 O=C(O)C(F)Br 8446AJ [0,2,0,0,0,0|1,0,1]=4 184 B5R0.5 O=C(O)C(F)Cl 4068AE [0,2,0,0,0,0|1,0,1]=4 185 B3R1.1 C1CS1 6858AF [1,0,0,1,0,0|0,1,0]=3 186 B5R1.2 IC1CNC1 2304AJ [0,1,0,1,0,0|1,0,0]=3 187 B5R1.3 CNC1CC1 X4771 [0,1,0,1,0,0|1,0,0]=3 188 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,1,0,1,0,0|1,0,0]=3 189 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,1,0,1,0,0|1,0,0]=3 190 B5R1.5 CC1(C)CS1 8089AL [0,1,0,1,0,0|0,1,0]=3