0 B3R0.1 Br\C=C\Br 6810AF [0,0,0,0,0,0|2,1,1]=4 1 B3R0.1 CCCF 3973AE [0,0,0,0,0,0|1,1,0]=2 2 B3R0.1 C\C=C\Br 4765AL [0,0,0,0,0,0|1,1,1]=3 3 B3R0.1 NCCN 6791AA [0,0,0,0,0,0|3,0,0]=3 4 B3R0.1 NCCN 6876AF [0,0,0,0,0,0|3,0,0]=3 5 B3R0.1 NCCN 9393AJ [0,0,0,0,0,0|3,0,0]=3 6 B3R0.1 NCCN E395 [0,0,0,0,0,0|3,0,0]=3 7 B2R0.1 Br[Hg]Br 5609AF [1,0,0,0,0,0|2,1,0]=4 8 B2R0.1 C=NO 8435AF [1,0,0,0,0,0|2,0,0]=3 9 B2R0.1 Cl[PbH2]Cl 8325AF [1,0,0,0,0,0|2,0,0]=3 10 B2R0.1 Cl[Pd]Cl 7776AH [1,0,0,0,0,0|2,0,0]=3 11 B2R0.1 Cl[Pt]Cl 6761AA [1,0,0,0,0,0|2,0,0]=3 12 B2R0.1 I[Ba]I 5557AF [1,0,0,0,0,0|2,1,0]=4 13 B2R0.1 I[Hg]I X5988 [1,0,0,0,0,0|2,1,0]=4 14 B2R0.1 I[Pt]I X6027 [1,0,0,0,0,0|2,1,0]=4 15 B2R0.1 N=CN 7945AL [1,0,0,0,0,0|2,0,1]=4 16 B2R0.1 O=C[O-] 7946AL [1,0,0,0,0,0|1,0,2]=4 17 B2R0.1 O=C[O-] 8928AL [1,0,0,0,0,0|1,0,2]=4 18 B2R0.1 O=[Ir]=O 8780AF [1,0,0,0,0,0|2,0,1]=4 19 B2R0.1 O[Pt]O 4927AB [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 BrCC(Br)Br X2956 [0,1,0,0,0,0|2,1,0]=4 21 B4R0.1 C#CC(C)Cl 6017AL [0,1,0,0,0,0|1,0,1]=3 22 B4R0.1 C=C(F)CCl 6785AE [0,1,0,0,0,0|1,0,1]=3 23 B4R0.1 C=C=C(C)C 6086AL [0,1,0,0,0,0|2,0,1]=4 24 B4R0.1 C=CC(C)C 7308AF [0,1,0,0,0,0|2,0,1]=4 25 B4R0.1 C=NN(C)C 7943AL [0,1,0,0,0,0|3,0,0]=4 26 B4R0.1 CC(=O)NBr 6847AF [0,1,0,0,0,0|2,1,0]=4 27 B4R0.1 CC(=O)NBr 6848AF [0,1,0,0,0,0|2,1,0]=4 28 B4R0.1 CC(N)C#N V7482 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(S)CS 4476AL [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 CCC(=O)Br C859 [0,1,0,0,0,0|1,1,1]=4 31 B4R0.1 CC[SiH](Cl)Cl 7902AL [0,1,0,0,0,0|1,1,0]=3 32 B4R0.1 COP(Cl)Cl X7327 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 CSC(=N)N 4399AD [0,1,0,0,0,0|1,1,1]=4 34 B4R0.1 CSC(C)=O 9061AJ [0,1,0,0,0,0|1,1,1]=4 35 B4R0.1 CSC(C)C 8107AL [0,1,0,0,0,0|1,1,0]=3 36 B4R0.1 CS[S+](C)C 7703AL [0,1,0,0,0,0|2,1,0]=4 37 B4R0.1 C\C(N)=N/O 5291AE [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 C\C=C(/C)Cl 5560AL [0,1,0,0,0,0|1,0,1]=3 39 B4R0.1 C\C=C(\C)Cl 4247AL [0,1,0,0,0,0|1,0,1]=3 40 B4R0.1 FC(Cl)CCl 3256AE [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 N=C(N)CO 6468AB [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 NCC(=O)O 7986AL [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 NCC(=O)[O-] P522 [0,1,0,0,0,0|3,0,0]=4 44 B4R0.2 C#CCON 4433AJ [0,1,0,0,0,0|2,0,0]=3 45 B4R0.2 C=C=CCO 0432AQ [0,1,0,0,0,0|2,0,1]=4 46 B4R0.2 CCC=NO 0148AQ [0,1,0,0,0,0|2,0,1]=4 47 B4R0.2 CCCCF 8004AD [0,1,0,0,0,0|1,1,0]=3 48 B4R0.2 CCCNN 4415AE [0,1,0,0,0,0|2,0,0]=3 49 B4R0.2 CCCOC 4896AL [0,1,0,0,0,0|1,0,0]=2 50 B4R0.2 CCCON 6597AE [0,1,0,0,0,0|2,0,0]=3 51 B4R0.2 CCCSC U677 [0,1,0,0,0,0|1,1,0]=3 52 B4R0.2 CCSCC E138 [0,1,0,0,0,0|1,1,0]=3 53 B4R0.2 CNCC#N 8258AL [0,1,0,0,0,0|2,0,0]=3 54 B4R0.2 CSCCBr Y1764 [0,1,0,0,0,0|0,2,0]=3 55 B4R0.2 C\C=C/CC 7428AL [0,1,0,0,0,0|2,0,0]=3 56 B4R0.2 Cl\C=C/CCl 7411AL [0,1,0,0,0,0|1,0,1]=3 57 B4R0.2 N#CCCS 0102AP [0,1,0,0,0,0|2,0,1]=4 58 B4R0.2 NCCON 6473AB [0,1,0,0,0,0|2,0,0]=3 59 B4R0.2 NCCON 7871AA [0,1,0,0,0,0|2,0,0]=3 60 B4R0.2 O=[Pr]O[Pr]=O Y1145 [0,1,0,0,0,0|3,0,0]=4 61 B4R1.1 C1CSC1 7055AF [0,0,0,1,0,0|1,1,0]=3 62 B4R1.2 C[C@H]1CN1 1289AL [0,0,0,1,0,0|2,0,0]=3 63 B1R0.1 C=C G764 [2,0,0,0,0,0|0,0,2]=4 64 B1R0.1 Cl[Re] 7674AH [2,0,0,0,0,0|1,0,0]=3 65 B1R0.1 O=[Ag] 7691AH [2,0,0,0,0,0|1,0,1]=4 66 B1R0.1 [C-]#[O+] Y1394 [2,0,0,0,0,0|0,0,2]=4 67 B1R0.1 [Se]=[Cd] 8261AF [2,0,0,0,0,0|1,1,0]=4 68 B3R0.2 CC(=O)[Cl] O182 [1,1,0,0,0,0|0,0,1]=3 69 B3R0.2 CC(=O)[O-] E849 [1,1,0,0,0,0|1,0,1]=4 70 B3R0.2 CC(=O)[O-] Y2043 [1,1,0,0,0,0|1,0,1]=4 71 B3R0.2 CC(=O)[O-] Y2049 [1,1,0,0,0,0|1,0,1]=4 72 B3R0.2 CN(C)N 3031AH [1,1,0,0,0,0|1,0,0]=3 73 B3R0.2 C[PH](C)=O 3279AL [1,1,0,0,0,0|1,0,0]=3 74 B3R0.2 C[S+](C)C 9165AJ [1,1,0,0,0,0|0,1,0]=3 75 B3R0.2 C[Sn](C)=O 6872AF [1,1,0,0,0,0|1,0,0]=3 76 B3R0.2 ClC(Cl)Br 8444AJ [1,1,0,0,0,0|1,0,0]=3 77 B3R0.2 Cl[AlH3](Cl)Cl 5469AF [1,1,0,0,0,0|2,0,0]=4 78 B3R0.2 Cl[Os](Cl)Cl 8362AF [1,1,0,0,0,0|2,0,0]=4 79 B3R0.2 Cl[Pt-](Cl)Cl 6663AA [1,1,0,0,0,0|2,0,0]=4 80 B3R0.2 Cl[Rh](Cl)Cl 0627AB [1,1,0,0,0,0|2,0,0]=4 81 B3R0.2 Cl[Tm](Cl)Cl 8377AF [1,1,0,0,0,0|2,0,0]=4 82 B3R0.2 O=C([O-])O 6221AA [1,1,0,0,0,0|1,0,1]=4 83 B3R0.2 O=S(O)O 8693AF [1,1,0,0,0,0|2,0,0]=4 84 B3R0.2 O=S(O)O S352 [1,1,0,0,0,0|2,0,0]=4 85 B3R0.2 O[Au](O)O 7031AH [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 C#CCC(C)O 6664AL [0,2,0,0,0,0|2,0,0]=4 87 B5R0.1 C=C(C)CON 4430AJ [0,2,0,0,0,0|2,0,0]=4 88 B5R0.1 C=CCC(=C)C 5694AL [0,2,0,0,0,0|2,0,0]=4 89 B5R0.1 C=CCC(C)C 6595AL [0,2,0,0,0,0|2,0,0]=4 90 B5R0.1 C=CCC(C)O 7318AF [0,2,0,0,0,0|2,0,0]=4 91 B5R0.1 C=COC(C)C 3476AL [0,2,0,0,0,0|1,0,1]=4 92 B5R0.1 CC#CC(C)C 6601AL [0,2,0,0,0,0|2,0,0]=4 93 B5R0.1 CC(Br)CC#N 6005AL [0,2,0,0,0,0|2,0,0]=4 94 B5R0.1 CC(C)=CCCl 7671AJ [0,2,0,0,0,0|1,0,0]=3 95 B5R0.1 CC(C)CCCl 7326AF [0,2,0,0,0,0|1,0,0]=3 96 B5R0.1 CC(O)CON 3604AB [0,2,0,0,0,0|2,0,0]=4 97 B5R0.1 CCC=C(C)C 7499AF [0,2,0,0,0,0|2,0,0]=4 98 B5R0.1 CCOC(C)C 7879AL [0,2,0,0,0,0|1,0,0]=3 99 B5R0.1 CCSC(C)C 7880AL [0,2,0,0,0,0|1,1,0]=4 100 B5R0.1 CNCC(C)=O 4565AF [0,2,0,0,0,0|2,0,0]=4 101 B5R0.1 CNCC(C)C 8603AL [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 COCC(=N)N 1769AJ [0,2,0,0,0,0|1,0,0]=3 103 B5R0.1 COC[C@H](C)O W4988 [0,2,0,0,0,0|1,0,0]=3 104 B5R0.1 CSCC(=N)N 1816AJ [0,2,0,0,0,0|1,1,0]=4 105 B5R0.1 C[C@H](N)CCO 3502AC [0,2,0,0,0,0|2,0,0]=4 106 B5R0.1 C\C(Cl)=C\CN 9653AD [0,2,0,0,0,0|1,0,1]=4 107 B5R0.1 C\C(Cl)=C\CO X6578 [0,2,0,0,0,0|1,0,1]=4 108 B5R0.1 C\C=C\C(C)C 7501AF [0,2,0,0,0,0|2,0,0]=4 109 B5R0.3 CC(CN)CN 1710AB [0,2,0,0,0,0|2,0,0]=4 110 B5R0.3 CC(CN)CO 0163AC [0,2,0,0,0,0|2,0,0]=4 111 B5R0.3 CCC(=O)CN X8894 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.3 CCC(=O)CO X5132 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.3 CCC(=S)OC R571 [0,2,0,0,0,0|1,0,0]=3 114 B5R0.3 CCC(C)CCl U282 [0,2,0,0,0,0|1,0,0]=3 115 B5R0.3 CCC(C)NN 9798AD [0,2,0,0,0,0|2,0,0]=4 116 B5R0.3 CCC(Cl)CCl 4449AL [0,2,0,0,0,0|1,0,0]=3 117 B5R0.3 CCC(O)C#N 7246AF [0,2,0,0,0,0|2,0,0]=4 118 B5R0.3 CCC(O)CBr 4766AL [0,2,0,0,0,0|1,1,0]=4 119 B5R0.3 CCC(S)CS 4441AL [0,2,0,0,0,0|2,0,0]=4 120 B5R0.3 CC[C@H](C)CCl 4194AL [0,2,0,0,0,0|1,0,0]=3 121 B5R0.3 CNC(=O)CN X2965 [0,2,0,0,0,0|2,0,0]=4 122 B5R0.3 CNC(C)C#N V3698 [0,2,0,0,0,0|2,0,0]=4 123 B5R0.3 COC(C)C#N 0627AE [0,2,0,0,0,0|1,0,0]=3 124 B5R0.3 CO[SiH](C)OC I516 [0,2,0,0,0,0|1,1,0]=4 125 B5R0.3 C\C=C(/C)CC 0241AQ [0,2,0,0,0,0|2,0,0]=4 126 B5R0.3 C\C=C(/C)CC 9220AL [0,2,0,0,0,0|2,0,0]=4 127 B5R0.3 C\C=C(\C)CC 7440AL [0,2,0,0,0,0|2,0,0]=4 128 B5R0.3 FCC(Br)CBr 3889AE [0,2,0,0,0,0|1,1,0]=4 129 B5R0.3 N\C(CCl)=N/O 0296AE [0,2,0,0,0,0|2,0,0]=4 130 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,2,0,0,0,0|1,0,0]=3 131 B5R0.4 C[Si](Cl)(Cl)CCl 7376AL [0,2,0,0,0,0|1,0,0]=3 132 B5R0.4 FC(Cl)(Br)CBr 8194AD [0,2,0,0,0,0|2,0,0]=4 133 B5R0.4 FC(Cl)(Cl)CCl 0041AF [0,2,0,0,0,0|2,0,0]=4 134 B5R0.4 FCC(F)(Cl)Cl 6189AD [0,2,0,0,0,0|2,0,0]=4 135 B5R0.5 C=C(C)C(C)C 5230AL [0,2,0,0,0,0|2,0,0]=4 136 B5R0.5 CC(=O)C(C)F 0085AF [0,2,0,0,0,0|1,1,0]=4 137 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,2,0,0,0,0|1,0,0]=3 138 B5R0.5 CC(N)C(C)O 7117AF [0,2,0,0,0,0|2,0,0]=4 139 B5R0.5 CN(C)P(Cl)Cl 6866AF [0,2,0,0,0,0|2,0,0]=4 140 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,2,0,0,0,0|2,0,0]=4 141 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,2,0,0,0,0|2,0,0]=4 142 B5R0.5 O=C(O)C(F)Cl 4068AE [0,2,0,0,0,0|2,0,0]=4 143 B5R0.5 O=C([O-])C(F)Cl 8442AE [0,2,0,0,0,0|2,0,0]=4 144 B5R0.2 C#CCCCBr 9466AL [0,2,0,0,0,0|1,1,0]=4 145 B5R0.2 C#CCCCI 0230AQ [0,2,0,0,0,0|1,1,0]=4 146 B5R0.2 C=CCCCN 7616AH [0,2,0,0,0,0|2,0,0]=4 147 B5R0.2 C=CCOCC 5601AE [0,2,0,0,0,0|1,0,0]=3 148 B5R0.2 C=CCSSC 7031AL [0,2,0,0,0,0|1,1,0]=4 149 B5R0.2 C=CC\C=C/C 0307AQ [0,2,0,0,0,0|2,0,0]=4 150 B5R0.2 CC#CCCO 6150AL [0,2,0,0,0,0|2,0,0]=4 151 B5R0.2 CCCCOC 7303AL [0,2,0,0,0,0|1,0,0]=3 152 B5R0.2 CCCNCC 8554AL [0,2,0,0,0,0|2,0,0]=4 153 B5R0.2 CCCOCC 7892AL [0,2,0,0,0,0|1,0,0]=3 154 B5R0.2 CCCOCCl 4494AB [0,2,0,0,0,0|0,0,0]=2 155 B5R0.2 CCCSCC R576 [0,2,0,0,0,0|1,1,0]=4 156 B5R0.2 CCC\C=N\O 7272AF [0,2,0,0,0,0|2,0,0]=4 157 B5R0.2 CCOCCN 3903AD [0,2,0,0,0,0|1,0,0]=3 158 B5R0.2 CC[Se][Se]CC 7651AL [0,2,0,0,0,0|1,1,0]=4 159 B5R0.2 COCCCI 9890AH [0,2,0,0,0,0|0,1,0]=3 160 B5R0.2 COCN=C=S 6701AD [0,2,0,0,0,0|1,0,0]=3 161 B5R0.2 CSCCC#N 5452AE [0,2,0,0,0,0|1,1,0]=4 162 B5R0.2 ClCCOCCl 7247AA [0,2,0,0,0,0|0,0,0]=2 163 B5R0.2 NC\C=C/CCl 3552AH [0,2,0,0,0,0|1,0,0]=3 164 B5R0.2 NC\C=C/CN Z2171 [0,2,0,0,0,0|2,0,0]=4 165 B5R0.2 NOC\C=C\Cl 6798AC [0,2,0,0,0,0|1,0,0]=3 166 B5R0.2 OCC#CCCl 0022AQ [0,2,0,0,0,0|1,0,0]=3 167 B5R0.2 [C-]#[N+]CCOC V5938 [0,2,0,0,0,0|1,0,0]=3 168 B3R1.1 C1CS1 6858AF [1,0,0,1,0,0|0,1,0]=3 169 B5R1.2 C=C1CCC1 3599AL [0,1,0,1,0,0|2,0,0]=4 170 B5R1.2 IC1CNC1 2304AJ [0,1,0,1,0,0|1,1,0]=4 171 B5R1.2 NC1CSC1 V9418 [0,1,0,1,0,0|1,1,0]=4 172 B5R1.2 OC1CSC1 Z6583 [0,1,0,1,0,0|1,1,0]=4 173 B5R1.3 CNC1CC1 X4771 [0,1,0,1,0,0|2,0,0]=4 174 B5R1.3 FCC1CO1 1377AQ [0,1,0,1,0,0|0,1,0]=3 175 B5R1.3 OCC1CO1 Y6562 [0,1,0,1,0,0|1,0,0]=3 176 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,1,0,1,0,0|2,0,0]=4 177 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,1,0,1,0,0|2,0,0]=4 178 B5R1.5 CC1(C)CN1 8787AD [0,1,0,1,0,0|2,0,0]=4 179 B5R1.5 CC1(C)CS1 8089AL [0,1,0,1,0,0|1,1,0]=4 180 B5R1.1 C1CNNC1 Z5309 [0,1,0,1,0,0|2,0,0]=4 181 B5R1.1 C1CNOC1 2460AE [0,1,0,1,0,0|1,0,0]=3 182 B5R1.1 C1CSCS1 0673AQ [0,1,0,1,0,0|1,1,0]=4