0 B3R0.1 CCCN 8883AL [0,0,0,0,0,0|1,0,0]=1 1 B3R0.1 CCCS 7738AJ [0,0,0,0,0,0|0,0,0]=0 2 B3R0.1 CCNO X5655 [0,0,0,0,0,0|1,1,0]=2 3 B3R0.1 ClCCI 4811AL [0,0,0,0,0,0|2,0,0]=2 4 B3R0.1 FCCI V7660 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.1 N#CCI 8711AJ [0,0,0,0,0,0|2,0,1]=3 6 B3R0.1 N#CN=[Ca] S884 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.1 N#CO[Ag] 8223AF [0,0,0,0,0,0|3,0,1]=4 8 B3R0.1 NCCN 7518AA [0,0,0,0,0,0|2,0,0]=2 9 B3R0.1 NCCN 8659AJ [0,0,0,0,0,0|2,0,0]=2 10 B3R0.1 [Li]SC#N 8420AF [0,0,0,0,0,0|3,0,1]=4 11 B2R0.1 Br[Fe]Br 5608AF [1,0,0,0,0,0|3,0,0]=4 12 B2R0.1 Br[Sn]Br 5618AF [1,0,0,0,0,0|3,0,0]=4 13 B2R0.1 Br[Zn]Br 5624AF [1,0,0,0,0,0|3,0,0]=4 14 B2R0.1 CC#N 7219AA [1,0,0,0,0,0|1,0,1]=3 15 B2R0.1 CCN 7900AL [1,0,0,0,0,0|1,0,0]=2 16 B2R0.1 CNC 7704AL [1,0,0,0,0,0|1,0,0]=2 17 B2R0.1 Cl[Ca]Cl 1654AH [1,0,0,0,0,0|3,0,0]=4 18 B2R0.1 Cl[Fe]Cl 8312AF [1,0,0,0,0,0|3,0,0]=4 19 B2R0.1 Cl[Mn]Cl 8320AF [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 Cl[Ni]Cl 8323AF [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 Cl[Pd]Cl 8326AF [1,0,0,0,0,0|3,0,0]=4 22 B2R0.1 Cl[Pt]Cl 7433AA [1,0,0,0,0,0|3,0,0]=4 23 B2R0.1 Cl[Sr]Cl 8329AF [1,0,0,0,0,0|3,0,0]=4 24 B2R0.1 F[Ag]F 5440AF [1,0,0,0,0,0|3,0,0]=4 25 B2R0.1 F[Cu]F 8553AF [1,0,0,0,0,0|3,0,0]=4 26 B2R0.1 F[Hg]F 9651AE [1,0,0,0,0,0|3,0,0]=4 27 B2R0.1 F[Mg]F 8832AF [1,0,0,0,0,0|3,0,0]=4 28 B2R0.1 F[Mg]F 8833AF [1,0,0,0,0,0|3,0,0]=4 29 B2R0.1 F[Mn]F 8581AF [1,0,0,0,0,0|3,0,0]=4 30 B2R0.1 F[Ni]F 7140AC [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 I[Mg]I 8748AF [1,0,0,0,0,0|3,0,0]=4 32 B2R0.1 I[Ni]I 8751AF [1,0,0,0,0,0|3,0,0]=4 33 B2R0.1 I[Sn]I 8754AF [1,0,0,0,0,0|3,0,0]=4 34 B2R0.1 I[Sr]I 8755AF [1,0,0,0,0,0|3,0,0]=4 35 B2R0.1 N=CN 7944AL [1,0,0,0,0,0|2,0,1]=4 36 B2R0.1 O=B[O-] 5073AF [1,0,0,0,0,0|2,1,0]=4 37 B2R0.1 O=C[O-] 8297AF [1,0,0,0,0,0|1,1,1]=4 38 B2R0.1 O=C[O-] 8804AF [1,0,0,0,0,0|1,1,1]=4 39 B2R0.1 O=N[O-] 8792AF [1,0,0,0,0,0|2,1,0]=4 40 B2R0.1 O=[AlH3][O-] 5048AF [1,0,0,0,0,0|2,1,0]=4 41 B2R0.1 O=[Hf]=O 8716AF [1,0,0,0,0,0|2,1,0]=4 42 B2R0.1 O=[Ru]=O 9044AJ [1,0,0,0,0,0|2,1,0]=4 43 B4R0.1 C#CC(C)N 6477AH [0,1,0,0,0,0|1,0,1]=3 44 B4R0.1 C=C(Br)CO 1053AQ [0,1,0,0,0,0|0,1,2]=4 45 B4R0.1 C=CC(C)O 6444AE [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 CC(=O)O[Cu] X3614 [0,1,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(=O)O[Tl] 6845AF [0,1,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(Br)C#N X7909 [0,1,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(C)=CBr X6156 [0,1,0,0,0,0|1,0,2]=4 50 B4R0.1 CC(C)CN 8086AL [0,1,0,0,0,0|1,0,0]=2 51 B4R0.1 CC(Cl)C#N 2066AL [0,1,0,0,0,0|1,0,1]=3 52 B4R0.1 CC(O)CCl 7057AF [0,1,0,0,0,0|1,0,0]=2 53 B4R0.1 CCC(N)=S 9153AL [0,1,0,0,0,0|0,0,2]=3 54 B4R0.1 CNC(=N)N 5115AF [0,1,0,0,0,0|2,0,1]=4 55 B4R0.1 CO[SiH](C)C 3278AL [0,1,0,0,0,0|2,1,0]=4 56 B4R0.1 N=C(N)CCl 0665AB [0,1,0,0,0,0|2,0,1]=4 57 B4R0.1 NCC(F)F 9861AE [0,1,0,0,0,0|2,0,0]=3 58 B4R0.1 NCC(N)=O 1224AA [0,1,0,0,0,0|1,1,1]=4 59 B4R0.1 NCC(N)=O W7259 [0,1,0,0,0,0|1,1,1]=4 60 B4R0.2 C#CCCI 6186AJ [0,1,0,0,0,0|1,0,1]=3 61 B4R0.2 C#CCCN 6476AH [0,1,0,0,0,0|1,0,1]=3 62 B4R0.2 C=CCCC 7306AF [0,1,0,0,0,0|1,0,0]=2 63 B4R0.2 C=CCCN 2362AH [0,1,0,0,0,0|1,0,1]=3 64 B4R0.2 C=CSCC 7899AL [0,1,0,0,0,0|1,0,1]=3 65 B4R0.2 CCC#CI 4805AL [0,1,0,0,0,0|1,0,1]=3 66 B4R0.2 CCCC#N A365 [0,1,0,0,0,0|1,0,0]=2 67 B4R0.2 CCCCC 8942AJ [0,1,0,0,0,0|1,0,0]=2 68 B4R0.2 CCCCN 7306AL [0,1,0,0,0,0|1,0,0]=2 69 B4R0.2 CCCCS 4787AL [0,1,0,0,0,0|0,0,0]=1 70 B4R0.2 CCNCC 7648AL [0,1,0,0,0,0|1,0,0]=2 71 B4R0.2 CCNCC 7649AL [0,1,0,0,0,0|1,0,0]=2 72 B4R0.2 CCNCC 7650AL [0,1,0,0,0,0|1,0,0]=2 73 B4R0.2 CCOC=N M412 [0,1,0,0,0,0|1,0,1]=3 74 B4R0.2 CNCCN X9276 [0,1,0,0,0,0|1,0,0]=2 75 B4R0.2 CO[Ca]OC 9618AJ [0,1,0,0,0,0|2,1,0]=4 76 B4R0.2 CSCCO U461 [0,1,0,0,0,0|0,1,0]=2 77 B4R0.2 CSSSC 8583AJ [0,1,0,0,0,0|2,0,0]=3 78 B4R0.2 C\C=C\CC 7309AF [0,1,0,0,0,0|1,0,1]=3 79 B4R0.2 C\C=C\OC 1641AL [0,1,0,0,0,0|0,1,2]=4 80 B4R0.2 ClCSCCl 7220AL [0,1,0,0,0,0|2,0,0]=3 81 B4R0.2 NCCCN 7173AL [0,1,0,0,0,0|1,0,0]=2 82 B4R0.2 NCCCO 5983AL [0,1,0,0,0,0|0,1,0]=2 83 B4R0.2 NCCON W5869 [0,1,0,0,0,0|1,1,0]=3 84 B4R0.2 NOCCO 5251AJ [0,1,0,0,0,0|1,1,0]=3 85 B1R0.1 Br[Ag] 5438AF [2,0,0,0,0,0|2,0,0]=4 86 B1R0.1 C=C 7363AL [2,0,0,0,0,0|0,0,2]=4 87 B1R0.1 CN 8259AL [2,0,0,0,0,0|1,0,0]=3 88 B1R0.1 Cl[Ag] 5439AF [2,0,0,0,0,0|2,0,0]=4 89 B1R0.1 O=[Ca] 8227AF [2,0,0,0,0,0|1,1,0]=4 90 B1R0.1 [C-]#[O+] G834 [2,0,0,0,0,0|0,1,1]=4 91 B1R0.1 [C-]#[SiH2+] 8538AF [2,0,0,0,0,0|0,1,1]=4 92 B3R0.2 C=C(C)C 5301AF [1,1,0,0,0,0|0,0,1]=3 93 B3R0.2 CC(=N)N 6978AL [1,1,0,0,0,0|1,0,1]=4 94 B3R0.2 CC(=O)O 6852AF [1,1,0,0,0,0|0,1,1]=4 95 B3R0.2 CC(=O)[O-] 6843AF [1,1,0,0,0,0|0,1,1]=4 96 B3R0.2 ClC(Br)Br 7603AL [1,1,0,0,0,0|2,0,0]=4 97 B3R0.2 [BH3-][NH+](C)C 8584AJ [1,1,0,0,0,0|1,0,0]=3 98 B5R0.1 C#CCC(C)C 8172AJ [0,2,0,0,0,0|1,0,0]=3 99 B5R0.1 C=C(Br)CCO X2989 [0,2,0,0,0,0|0,1,1]=4 100 B5R0.1 C=C(C)CCBr Z4377 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.1 C=C(C)CCC 5700AL [0,2,0,0,0,0|1,0,0]=3 102 B5R0.1 CC(C)=CCBr Z1911 [0,2,0,0,0,0|1,0,1]=4 103 B5R0.1 CC(C)CCI X5313 [0,2,0,0,0,0|1,0,0]=3 104 B5R0.1 CC(C)CNN Z1645 [0,2,0,0,0,0|1,0,0]=3 105 B5R0.1 CC(C)OC=O 7262AF [0,2,0,0,0,0|0,1,1]=4 106 B5R0.1 CC(N)CCO Z2685 [0,2,0,0,0,0|0,1,0]=3 107 B5R0.1 CN(C)CC=O 4924AA [0,2,0,0,0,0|0,1,1]=4 108 B5R0.1 CNCC(=O)O 9764AB [0,2,0,0,0,0|0,1,1]=4 109 B5R0.1 COCC(=N)N W4095 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.1 COCC(C)=O U020 [0,2,0,0,0,0|0,1,1]=4 111 B5R0.1 COCC(C)N 0442AC [0,2,0,0,0,0|0,1,0]=3 112 B5R0.1 COC[C@@H](C)N W7467 [0,2,0,0,0,0|0,1,0]=3 113 B5R0.1 CSC=[N+](C)C 8446AL [0,2,0,0,0,0|1,0,1]=4 114 B5R0.1 CSCC(C)=O Y1373 [0,2,0,0,0,0|0,0,1]=3 115 B5R0.1 CSCS(C)=O E772 [0,2,0,0,0,0|1,0,0]=3 116 B5R0.1 C[C@H](N)CCO W7371 [0,2,0,0,0,0|0,1,0]=3 117 B5R0.1 NCCC(N)=O 6432AB [0,2,0,0,0,0|0,1,1]=4 118 B5R0.1 NCCS(=O)O 0301AQ [0,2,0,0,0,0|1,0,1]=4 119 B5R0.1 O=C(O)CCI 7031AF [0,2,0,0,0,0|0,1,1]=4 120 B5R0.3 C=CC(C)C#N 5710AL [0,2,0,0,0,0|1,0,1]=4 121 B5R0.3 C=CC(C)CC 6094AL [0,2,0,0,0,0|1,0,0]=3 122 B5R0.3 C=CC(O)CC 7733AJ [0,2,0,0,0,0|0,1,0]=3 123 B5R0.3 C=CC(O)CO V0531 [0,2,0,0,0,0|0,1,1]=4 124 B5R0.3 C=C[C@@H](N)CO 3384AB [0,2,0,0,0,0|0,1,1]=4 125 B5R0.3 C=C[C@H](N)CO W4532 [0,2,0,0,0,0|0,1,1]=4 126 B5R0.3 CCC(=O)NC 7273AF [0,2,0,0,0,0|0,1,1]=4 127 B5R0.3 CCC(=O)NN 6023AE [0,2,0,0,0,0|0,1,1]=4 128 B5R0.3 CCC(C)C=O 7969AJ [0,2,0,0,0,0|0,1,0]=3 129 B5R0.3 CCC(C)CC 6117AL [0,2,0,0,0,0|1,0,0]=3 130 B5R0.3 CCC(C)CI 4886AL [0,2,0,0,0,0|1,0,0]=3 131 B5R0.3 CCC(C)NC 9511AE [0,2,0,0,0,0|1,0,0]=3 132 B5R0.3 CCC(C)NN 0007AD [0,2,0,0,0,0|1,0,0]=3 133 B5R0.3 CCC(O)CN 6349AA [0,2,0,0,0,0|0,1,0]=3 134 B5R0.3 CCN(C)CC 7490AH [0,2,0,0,0,0|1,0,0]=3 135 B5R0.3 CC[C@H](O)CO 1422AC [0,2,0,0,0,0|0,1,0]=3 136 B5R0.3 CC\C(N)=N\O 9295AD [0,2,0,0,0,0|0,1,1]=4 137 B5R0.3 CS\C(O)=[SH]/C K552 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.3 NC(CO)CO V0534 [0,2,0,0,0,0|0,1,0]=3 139 B5R0.3 NCC(O)CCl Z2000 [0,2,0,0,0,0|1,0,0]=3 140 B5R0.3 O=CC(O)CO 6635AH [0,2,0,0,0,0|0,1,1]=4 141 B5R0.3 OCC(S)CS F878 [0,2,0,0,0,0|0,0,0]=2 142 B5R0.4 C=CC(C)(C)C 5869AL [0,2,0,0,0,0|1,0,1]=4 143 B5R0.4 CC(C)(C)CN 8004AA [0,2,0,0,0,0|1,0,0]=3 144 B5R0.4 CC(C)(C)NO B804 [0,2,0,0,0,0|1,1,0]=4 145 B5R0.4 CC(C)(F)CBr 5101AJ [0,2,0,0,0,0|1,0,0]=3 146 B5R0.4 CC(C)(N)CO 4971AH [0,2,0,0,0,0|0,1,0]=3 147 B5R0.4 CC(F)(F)CN V8232 [0,2,0,0,0,0|1,0,0]=3 148 B5R0.4 CCC(C)(C)Br 5515AL [0,2,0,0,0,0|1,0,0]=3 149 B5R0.4 CCC(C)(C)Cl 5561AL [0,2,0,0,0,0|1,0,0]=3 150 B5R0.4 CCS(=O)(=O)[O-] 8987AL [0,2,0,0,0,0|1,1,0]=4 151 B5R0.4 CCS(C)(=O)=O F876 [0,2,0,0,0,0|1,1,0]=4 152 B5R0.4 C[N+](C)(C)CI 2479AE [0,2,0,0,0,0|2,0,0]=4 153 B5R0.4 C[Si](C)(C)CBr 4095AL [0,2,0,0,0,0|1,1,0]=4 154 B5R0.4 C[Si](C)(C)CO X6387 [0,2,0,0,0,0|0,2,0]=4 155 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [0,2,0,0,0,0|1,1,0]=4 156 B5R0.4 OCC(F)(F)Cl 4023AE [0,2,0,0,0,0|1,1,0]=4 157 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,2,0,0,0,0|0,1,1]=4 158 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,2,0,0,0,0|0,1,1]=4 159 B5R0.5 CC(C)C(C)O 6096AL [0,2,0,0,0,0|0,1,0]=3 160 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,2,0,0,0,0|1,1,0]=4 161 B5R0.5 CC(Cl)C(N)=O 9013AD [0,2,0,0,0,0|0,1,1]=4 162 B5R0.5 CC(N)C(N)=O 9942AE [0,2,0,0,0,0|0,1,1]=4 163 B5R0.5 CC(N)C(N)=O V6080 [0,2,0,0,0,0|0,1,1]=4 164 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,2,0,0,0,0|0,1,1]=4 165 B5R0.5 CC(O)C(=O)[O-] O583 [0,2,0,0,0,0|0,1,1]=4 166 B5R0.5 CC(S)C(C)S 9352AJ [0,2,0,0,0,0|0,0,0]=2 167 B5R0.5 CN(C)C(=S)S 7714AL [0,2,0,0,0,0|1,0,1]=4 168 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,2,0,0,0,0|0,1,1]=4 169 B5R0.2 C=CCCC=C 7447AF [0,2,0,0,0,0|1,0,1]=4 170 B5R0.2 C=CCCCN 2628AB [0,2,0,0,0,0|1,0,0]=3 171 B5R0.2 CC#CCCC 7448AF [0,2,0,0,0,0|1,0,0]=3 172 B5R0.2 CCCCON 7308AJ [0,2,0,0,0,0|0,1,0]=3 173 B5R0.2 CCCOC=O 8880AL [0,2,0,0,0,0|0,1,0]=3 174 B5R0.2 CCCSSC 8846AJ [0,2,0,0,0,0|0,0,0]=2 175 B5R0.2 CC\C=C/CC 7431AL [0,2,0,0,0,0|1,0,0]=3 176 B5R0.2 CC\C=C/CO 3214AL [0,2,0,0,0,0|0,1,0]=3 177 B5R0.2 CC\C=C\CC 3771AD [0,2,0,0,0,0|1,0,0]=3 178 B5R0.2 CNCCSC 7146AJ [0,2,0,0,0,0|0,0,0]=2 179 B5R0.2 COCCNN 5901AC [0,2,0,0,0,0|1,0,0]=3 180 B5R0.2 N#CCCCBr B613 [0,2,0,0,0,0|1,0,0]=3 181 B5R0.2 NCCCCBr 4038AB [0,2,0,0,0,0|1,0,0]=3 182 B5R0.2 NCCCCBr Z4484 [0,2,0,0,0,0|1,0,0]=3 183 B5R0.2 NCCCCCl 9859AB [0,2,0,0,0,0|1,0,0]=3 184 B5R0.2 OCCNCO 5459AL [0,2,0,0,0,0|0,1,0]=3 185 B5R0.2 S=C=NCCBr 4566AD [0,2,0,0,0,0|0,0,2]=4 186 B5R1.2 BrC1CNC1 7707AB [0,1,0,1,0,0|1,0,0]=3 187 B5R1.2 CC1CNC1 W9623 [0,1,0,1,0,0|1,0,0]=3 188 B5R1.2 ClC1CCC1 Z7366 [0,1,0,1,0,0|1,0,0]=3 189 B5R1.2 ClC1CNC1 3365AB [0,1,0,1,0,0|1,0,0]=3 190 B5R1.2 FC1CNC1 X3056 [0,1,0,1,0,0|1,0,0]=3 191 B5R1.2 NC1CNC1 0554AA [0,1,0,1,0,0|1,0,0]=3 192 B5R1.2 NC1COC1 6668AB [0,1,0,1,0,0|0,1,0]=3 193 B5R1.2 O=C1CCN1 W9581 [0,1,0,1,0,0|0,1,1]=4 194 B5R1.2 O=C1CSC1 Z4430 [0,1,0,1,0,0|0,0,1]=3 195 B5R1.2 OC1CNC1 W6360 [0,1,0,1,0,0|0,1,0]=3 196 B5R1.3 C=CC1CO1 7293AL [0,1,0,1,0,0|0,1,1]=4 197 B5R1.3 CC[C@H]1CO1 7482AJ [0,1,0,1,0,0|0,1,0]=3 198 B5R1.3 NCC1CC1 Y1835 [0,1,0,1,0,0|1,0,0]=3 199 B5R1.5 CC1(N)CC1 W9186 [0,1,0,1,0,0|1,0,0]=3 200 B5R1.1 C1=CCCC1 7379AF [0,1,0,1,0,0|1,0,0]=3 201 B5R1.1 C1CCCC1 8499AJ [0,1,0,1,0,0|1,0,0]=3