0 B3R0.1 Br\C=C\Br 6810AF [0,0,0,0,0,0|0,2,2]=4 1 B3R0.1 CCCF 3973AE [0,0,0,0,0,0|1,1,0]=2 2 B3R0.1 CCCN 8883AL [0,0,0,0,0,0|2,0,0]=2 3 B3R0.1 C\C=C\Br 4765AL [0,0,0,0,0,0|1,1,2]=4 4 B3R0.1 NCCN 4103AL [0,0,0,0,0,0|2,0,0]=2 5 B3R0.1 NCCN 6791AA [0,0,0,0,0,0|2,0,0]=2 6 B3R0.1 NCCN 6876AF [0,0,0,0,0,0|2,0,0]=2 7 B3R0.1 NCCN 7518AA [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 NCCN 9393AJ [0,0,0,0,0,0|2,0,0]=2 9 B3R0.1 NCCN E395 [0,0,0,0,0,0|2,0,0]=2 10 B2R0.1 Br[Hg]Br 5609AF [1,0,0,0,0,0|1,2,0]=4 11 B2R0.1 Br[Pt]Br 5617AF [1,0,0,0,0,0|1,2,0]=4 12 B2R0.1 CNC 7704AL [1,0,0,0,0,0|2,0,0]=3 13 B2R0.1 Cl[Cu]Cl 8310AF [1,0,0,0,0,0|1,0,0]=2 14 B2R0.1 Cl[Pd]Cl K313 [1,0,0,0,0,0|1,0,0]=2 15 B2R0.1 Cl[Pt]Cl 6761AA [1,0,0,0,0,0|1,0,0]=2 16 B2R0.1 F[Zn]F 8586AF [1,0,0,0,0,0|1,2,0]=4 17 B2R0.1 I[Ba]I 5557AF [1,0,0,0,0,0|1,2,0]=4 18 B2R0.1 I[Hg]I X5988 [1,0,0,0,0,0|1,2,0]=4 19 B2R0.1 N=CN 7945AL [1,0,0,0,0,0|2,0,1]=4 20 B2R0.1 O=C[O-] 7946AL [1,0,0,0,0,0|2,0,1]=4 21 B2R0.1 O=C[O-] 8928AL [1,0,0,0,0,0|2,0,1]=4 22 B2R0.1 O=[AlH3][O-] 5047AF [1,0,0,0,0,0|3,0,0]=4 23 B2R0.1 O=[Ir]=O 8780AF [1,0,0,0,0,0|3,0,0]=4 24 B2R0.1 O[Pt]O 4927AB [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C#CC(C)N 3873AJ [0,1,0,0,0,0|2,0,1]=4 26 B4R0.1 C#C[C@@H](C)O 4141AL [0,1,0,0,0,0|2,0,1]=4 27 B4R0.1 C#C[C@H](C)N 9107AH [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 C#C[C@H](C)O 4183AL [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C(F)CCl 6785AE [0,1,0,0,0,0|0,1,1]=3 30 B4R0.1 CC(O)CF 7060AF [0,1,0,0,0,0|1,1,0]=3 31 B4R0.1 CCC(=O)Br C859 [0,1,0,0,0,0|1,1,1]=4 32 B4R0.1 CC[SiH](Cl)Cl 7902AL [0,1,0,0,0,0|1,1,0]=3 33 B4R0.1 COP(Cl)Cl X7327 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 CSC(C)C 8107AL [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 C[C@@H](O)CN V4887 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 C[C@H](O)CCl E885 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.1 C\C=C(/C)Cl 5560AL [0,1,0,0,0,0|1,0,2]=4 38 B4R0.1 C\C=C(\C)Cl 4247AL [0,1,0,0,0,0|1,0,2]=4 39 B4R0.1 FC(Cl)CCl 3256AE [0,1,0,0,0,0|0,0,0]=1 40 B4R0.1 N=C(N)CO 6468AB [0,1,0,0,0,0|2,0,1]=4 41 B4R0.1 N=C(N)CO X6638 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 NCC(=O)O 7986AL [0,1,0,0,0,0|2,0,1]=4 43 B4R0.1 NCC(=O)[O-] P522 [0,1,0,0,0,0|2,0,1]=4 44 B4R0.1 NCC(=O)[O-] Z1943 [0,1,0,0,0,0|2,0,1]=4 45 B4R0.2 C#CCCI 6186AJ [0,1,0,0,0,0|1,1,0]=3 46 B4R0.2 C#CCON 4433AJ [0,1,0,0,0,0|2,0,1]=4 47 B4R0.2 C=C=CCO 0432AQ [0,1,0,0,0,0|2,0,1]=4 48 B4R0.2 C=CC[Pd]Cl G754 [0,1,0,0,0,0|1,0,1]=3 49 B4R0.2 CCCCF 8004AD [0,1,0,0,0,0|1,1,0]=3 50 B4R0.2 CCCCN 7306AL [0,1,0,0,0,0|2,0,0]=3 51 B4R0.2 CCCNN 4415AE [0,1,0,0,0,0|2,0,0]=3 52 B4R0.2 CCCOC 4896AL [0,1,0,0,0,0|2,0,0]=3 53 B4R0.2 CCCSC U677 [0,1,0,0,0,0|2,0,0]=3 54 B4R0.2 CCNCC 7650AL [0,1,0,0,0,0|2,0,0]=3 55 B4R0.2 CNCC#N 8258AL [0,1,0,0,0,0|2,0,1]=4 56 B4R0.2 CSCCCl 7809AB [0,1,0,0,0,0|1,0,0]=2 57 B4R0.2 C\C=C/CC 7428AL [0,1,0,0,0,0|2,0,1]=4 58 B4R0.2 Cl\C=C/CCl 7411AL [0,1,0,0,0,0|0,0,1]=2 59 B4R0.2 N#CCCS 0102AP [0,1,0,0,0,0|2,0,0]=3 60 B4R0.2 NCCON 7871AA [0,1,0,0,0,0|2,0,0]=3 61 B4R0.2 NCCON W5869 [0,1,0,0,0,0|2,0,0]=3 62 B4R1.1 C1CNC1 F654 [0,0,0,1,0,0|2,0,0]=3 63 B4R1.1 C1CSC1 7055AF [0,0,0,1,0,0|2,0,0]=3 64 B4R1.2 C[C@H]1CN1 1289AL [0,0,0,1,0,0|2,0,0]=3 65 B1R0.1 Cl[Re] 7674AH [2,0,0,0,0,0|1,0,0]=3 66 B1R0.1 O=[Ag] 7691AH [2,0,0,0,0,0|2,0,0]=4 67 B1R0.1 [C-]#[O+] O525 [2,0,0,0,0,0|1,0,1]=4 68 B1R0.1 [C-]#[O+] Y1394 [2,0,0,0,0,0|1,0,1]=4 69 B1R0.1 [Se]=[Cd] 8261AF [2,0,0,0,0,0|2,0,0]=4 70 B3R0.2 C=[N+](C)C X4459 [1,1,0,0,0,0|2,0,0]=4 71 B3R0.2 CC(=N)N 6978AL [1,1,0,0,0,0|1,0,1]=4 72 B3R0.2 CC(=O)[O-] Y2043 [1,1,0,0,0,0|1,0,1]=4 73 B3R0.2 CC(=O)[O-] Y2049 [1,1,0,0,0,0|1,0,1]=4 74 B3R0.2 CC(Br)Br 4360AL [1,1,0,0,0,0|0,1,0]=3 75 B3R0.2 C[PH](C)=O 3279AL [1,1,0,0,0,0|2,0,0]=4 76 B3R0.2 C[S+](C)C 9165AJ [1,1,0,0,0,0|2,0,0]=4 77 B3R0.2 ClC(Cl)Br 8444AJ [1,1,0,0,0,0|0,0,0]=2 78 B3R0.2 Cl[AlH3](Cl)Cl 5469AF [1,1,0,0,0,0|1,0,0]=3 79 B3R0.2 Cl[Au](Cl)Cl 6533AH [1,1,0,0,0,0|1,0,0]=3 80 B3R0.2 Cl[Lu](Cl)Cl 8355AF [1,1,0,0,0,0|1,0,0]=3 81 B3R0.2 Cl[Os](Cl)Cl 8362AF [1,1,0,0,0,0|1,0,0]=3 82 B3R0.2 Cl[Rh](Cl)Cl 0627AB [1,1,0,0,0,0|1,0,0]=3 83 B3R0.2 Cl[Tb](Cl)Cl 8371AF [1,1,0,0,0,0|1,0,0]=3 84 B5R0.1 C#CCC(C)O 6664AL [0,2,0,0,0,0|2,0,0]=4 85 B5R0.1 C=C(C)CCBr Z4377 [0,2,0,0,0,0|1,1,0]=4 86 B5R0.1 CC(Br)CC#N 6005AL [0,2,0,0,0,0|1,1,0]=4 87 B5R0.1 CC(C)=CCCl 7671AJ [0,2,0,0,0,0|1,0,1]=4 88 B5R0.1 CC(C)CCCl 7326AF [0,2,0,0,0,0|1,0,0]=3 89 B5R0.1 CC(C)CON 7310AJ [0,2,0,0,0,0|2,0,0]=4 90 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,2,0,0,0,0|1,1,0]=4 91 B5R0.1 CC(O)CON 3604AB [0,2,0,0,0,0|2,0,0]=4 92 B5R0.1 CCOC(C)C 7879AL [0,2,0,0,0,0|2,0,0]=4 93 B5R0.1 CCSC(C)C 7880AL [0,2,0,0,0,0|2,0,0]=4 94 B5R0.1 CNCC(C)C 8603AL [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 CNCC(C)O 5343AD [0,2,0,0,0,0|2,0,0]=4 96 B5R0.1 CNCC(F)F 8440AH [0,2,0,0,0,0|1,1,0]=4 97 B5R0.1 COCC(C)N 0442AC [0,2,0,0,0,0|2,0,0]=4 98 B5R0.1 COC[C@H](C)O W4988 [0,2,0,0,0,0|2,0,0]=4 99 B5R0.1 CS(=O)CCN 4290AE [0,2,0,0,0,0|2,0,0]=4 100 B5R0.1 C[C@@H](O)CC#N 1173AL [0,2,0,0,0,0|2,0,0]=4 101 B5R0.1 C[C@H](N)CCO 3502AC [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,2,0,0,0,0|0,0,1]=3 103 B5R0.1 C\C(Cl)=C\CN 9653AD [0,2,0,0,0,0|1,0,1]=4 104 B5R0.1 C\C(Cl)=C\CO X6578 [0,2,0,0,0,0|1,0,1]=4 105 B5R0.1 O=C(O)CCF 6350AB [0,2,0,0,0,0|1,1,0]=4 106 B5R0.3 C#CC(O)CC X7089 [0,2,0,0,0,0|2,0,0]=4 107 B5R0.3 C=C[C@H](N)CO 2392AL [0,2,0,0,0,0|2,0,0]=4 108 B5R0.3 CC(CN)CN 1710AB [0,2,0,0,0,0|2,0,0]=4 109 B5R0.3 CCC(=O)CN X8894 [0,2,0,0,0,0|2,0,0]=4 110 B5R0.3 CCC(=O)CO X5132 [0,2,0,0,0,0|2,0,0]=4 111 B5R0.3 CCC(C)C#N 9871AA [0,2,0,0,0,0|2,0,0]=4 112 B5R0.3 CCC(C)CCl U282 [0,2,0,0,0,0|1,0,0]=3 113 B5R0.3 CCC(C)CS U578 [0,2,0,0,0,0|2,0,0]=4 114 B5R0.3 CCC(C)NN 9798AD [0,2,0,0,0,0|2,0,0]=4 115 B5R0.3 CCC(O)C#N 7246AF [0,2,0,0,0,0|2,0,0]=4 116 B5R0.3 CCC(O)CBr 4766AL [0,2,0,0,0,0|1,1,0]=4 117 B5R0.3 CCC(S)CS 4441AL [0,2,0,0,0,0|2,0,0]=4 118 B5R0.3 CN[C@@H](C)CO X7940 [0,2,0,0,0,0|2,0,0]=4 119 B5R0.3 FCC(Br)CBr 3889AE [0,2,0,0,0,0|0,2,0]=4 120 B5R0.3 NCC(Br)CBr 5327AJ [0,2,0,0,0,0|0,2,0]=4 121 B5R0.3 N\C(CCl)=N/O 0296AE [0,2,0,0,0,0|1,0,1]=4 122 B5R0.3 O=C[C@@H](O)CO I485 [0,2,0,0,0,0|2,0,0]=4 123 B5R0.3 O=C[C@H](O)CO I433 [0,2,0,0,0,0|2,0,0]=4 124 B5R0.3 OC(CCl)CBr 7042AF [0,2,0,0,0,0|0,1,0]=3 125 B5R0.3 OC[C@@H](O)CF 1216AL [0,2,0,0,0,0|1,1,0]=4 126 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,2,0,0,0,0|1,0,0]=3 127 B5R0.4 C[Si](Cl)(Cl)CCl 7376AL [0,2,0,0,0,0|0,1,0]=3 128 B5R0.4 FC(Cl)(Br)CBr 8194AD [0,2,0,0,0,0|0,1,0]=3 129 B5R0.4 FC(Cl)(Cl)CCl 0041AF [0,2,0,0,0,0|0,0,0]=2 130 B5R0.4 FCC(F)(Cl)Cl 6189AD [0,2,0,0,0,0|0,1,0]=3 131 B5R0.4 NS(=O)(=O)CCl 9800AH [0,2,0,0,0,0|2,0,0]=4 132 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,2,0,0,0,0|0,0,0]=2 133 B5R0.5 CC(N)C(C)O 7117AF [0,2,0,0,0,0|2,0,0]=4 134 B5R0.5 CC(S)C(C)S 9352AJ [0,2,0,0,0,0|2,0,0]=4 135 B5R0.5 FC(F)C(Cl)Cl 4067AE [0,2,0,0,0,0|0,1,0]=3 136 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,2,0,0,0,0|1,0,1]=4 137 B5R0.5 O=C(O)C(F)Cl 4068AE [0,2,0,0,0,0|1,0,1]=4 138 B5R0.2 BrCC#CCBr 1529AL [0,2,0,0,0,0|0,2,0]=4 139 B5R0.2 C#CCCCBr 9466AL [0,2,0,0,0,0|1,1,0]=4 140 B5R0.2 C=CCCC#N 8813AB [0,2,0,0,0,0|2,0,0]=4 141 B5R0.2 C=CCCCN 7616AH [0,2,0,0,0,0|2,0,0]=4 142 B5R0.2 C=CCCON 2267AA [0,2,0,0,0,0|2,0,0]=4 143 B5R0.2 C=CCOCC 5601AE [0,2,0,0,0,0|2,0,0]=4 144 B5R0.2 CC#CCCO 6150AL [0,2,0,0,0,0|2,0,0]=4 145 B5R0.2 CCCCOC 7303AL [0,2,0,0,0,0|2,0,0]=4 146 B5R0.2 CCCNCC 8554AL [0,2,0,0,0,0|2,0,0]=4 147 B5R0.2 CCCOCC 7892AL [0,2,0,0,0,0|2,0,0]=4 148 B5R0.2 CCCOCCl 4494AB [0,2,0,0,0,0|1,0,0]=3 149 B5R0.2 CCCSCC R576 [0,2,0,0,0,0|2,0,0]=4 150 B5R0.2 CCOCCCl 7903AJ [0,2,0,0,0,0|1,0,0]=3 151 B5R0.2 CCOCCN 3903AD [0,2,0,0,0,0|2,0,0]=4 152 B5R0.2 CC[Se][Se]CC 7651AL [0,2,0,0,0,0|2,0,0]=4 153 B5R0.2 CNCCSC 7146AJ [0,2,0,0,0,0|2,0,0]=4 154 B5R0.2 COCCCI 9890AH [0,2,0,0,0,0|1,1,0]=4 155 B5R0.2 COCCON Y9404 [0,2,0,0,0,0|2,0,0]=4 156 B5R0.2 ClCCOCCl 7247AA [0,2,0,0,0,0|0,0,0]=2 157 B5R0.2 NCC#CCCl 5604AH [0,2,0,0,0,0|1,0,0]=3 158 B5R0.2 NC\C=C/CN Z2171 [0,2,0,0,0,0|2,0,0]=4 159 B5R0.2 NOC\C=C\Cl 3995AC [0,2,0,0,0,0|1,0,1]=4 160 B5R0.2 NOC\C=C\Cl 6798AC [0,2,0,0,0,0|1,0,1]=4 161 B5R0.2 OCC#CCCl 0022AQ [0,2,0,0,0,0|1,0,0]=3 162 B5R0.2 [C-]#[N+]CCOC V5938 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.2 [N-]=[N+]=NCCN 9854AL [0,2,0,0,0,0|2,0,0]=4 164 B3R1.1 C1CS1 6858AF [1,0,0,1,0,0|1,0,0]=3 165 B5R1.2 IC1CNC1 2304AJ [0,1,0,1,0,0|1,1,0]=4 166 B5R1.3 CNC1CC1 X4771 [0,1,0,1,0,0|2,0,0]=4 167 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,1,0,1,0,0|2,0,0]=4 168 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,1,0,1,0,0|2,0,0]=4 169 B5R1.5 CC1(C)CS1 8089AL [0,1,0,1,0,0|2,0,0]=4 170 B5R1.1 C1=NNCC1 5793AL [0,1,0,1,0,0|2,0,0]=4 171 B5R1.1 C1CNNC1 Z5309 [0,1,0,1,0,0|2,0,0]=4 172 B5R1.1 C1CSCS1 0673AQ [0,1,0,1,0,0|2,0,0]=4