0 B4R0.1 C#C[C@@H](C)N 8949AH [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@@H](C)N 8950AH [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C(Br)CC 7231AF [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)CN W5227 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 CC(=O)OS V0446 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(C)=CCl R244 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(C)NO C506 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(Cl)=NO Y1502 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(Cl)CCl Y6563 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(O)CN 8099AL [0,0,0,0,0,0|0,0,0]=0 10 B4R0.1 CCC(=O)F 3262AE [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CCC(=O)[O-] 7037AF [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CC[C@H](C)N 4197AL [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 N=C(N)NN 8295AF [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NC(=O)CS 9295AE [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 NCC(=O)[O-] 7015AH [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 O=C([O-])CI U791 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 O=C([O-])CS Z1770 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 O=S([O-])CO 5143AF [0,0,0,0,0,0|3,0,1]=4 19 B3R0.1 CNOC 2107AA [1,0,0,0,0,0|3,0,0]=4 20 B3R0.1 C\C=C/Br 3212AL [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 C\C=C\Cl 4806AL [1,0,0,0,0,0|1,0,2]=4 22 B3R0.1 N#CCBr 9982AJ [1,0,0,0,0,0|1,0,2]=4 23 B3R0.1 N#CCN W1139 [1,0,0,0,0,0|1,0,1]=3 24 B3R0.1 NCCBr 2022AL [1,0,0,0,0,0|1,0,0]=2 25 B3R0.1 NCCF X4686 [1,0,0,0,0,0|1,0,0]=2 26 B3R0.1 NCCN 6877AF [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 N\C=N\O V0795 [1,0,0,0,0,0|1,0,1]=3 28 B3R0.1 O=NOO 1983AH [1,0,0,0,0,0|3,0,0]=4 29 B3R0.2 CC(=O)I 7009AL [1,0,0,0,0,0|1,0,2]=4 30 B3R0.2 CC(=O)[O-] 1597AH [1,0,0,0,0,0|1,0,2]=4 31 B3R0.2 CC(=O)[O-] 5296AF [1,0,0,0,0,0|1,0,2]=4 32 B3R0.2 CC(=O)[O-] 6840AF [1,0,0,0,0,0|1,0,2]=4 33 B3R0.2 CC(C)=O 5788AL [1,0,0,0,0,0|0,0,2]=3 34 B3R0.2 CC(C)N 8113AL [1,0,0,0,0,0|1,0,0]=2 35 B3R0.2 CC(C)O 7082AF [1,0,0,0,0,0|0,0,0]=1 36 B3R0.2 CC(Cl)Cl 9227AE [1,0,0,0,0,0|2,0,0]=3 37 B3R0.2 NC(N)=O S544 [1,0,0,0,0,0|1,0,2]=4 38 B3R0.2 NC(N)=[Se] 8291AF [1,0,0,0,0,0|1,1,1]=4 39 B3R0.2 O=C([O-])O 8300AF [1,0,0,0,0,0|2,0,1]=4 40 B3R0.2 O=C([O-])O Z3648 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.2 O=I(=O)O 8774AF [1,0,0,0,0,0|3,0,0]=4 42 B3R0.2 O=S(O)O S352 [1,0,0,0,0,0|3,0,0]=4 43 B3R0.2 O=[N+]([O-])O 8733AF [1,0,0,0,0,0|3,0,0]=4 44 B3R0.2 OP(O)O X6457 [1,0,0,0,0,0|3,0,0]=4 45 B3R0.2 O[10B](O)O 8439AJ [1,0,0,0,0,0|3,0,0]=4 46 B3R0.2 O[11B](O)O 8440AJ [1,0,0,0,0,0|3,0,0]=4 47 B3R0.2 O[AlH3](O)Cl 5474AF [1,0,0,0,0,0|3,0,0]=4 48 B3R0.2 O[AlH3](O)Cl 5475AF [1,0,0,0,0,0|3,0,0]=4 49 B3R0.2 O[AlH3](O)O 8684AF [1,0,0,0,0,0|3,0,0]=4 50 B3R0.2 O[Fe](O)O 8655AF [1,0,0,0,0,0|3,0,0]=4 51 B3R0.2 [O-]P([O-])O 5245AF [1,0,0,0,0,0|3,0,0]=4 52 B3R0.2 [O-]P([O-])O 5288AF [1,0,0,0,0,0|3,0,0]=4 53 B3R0.2 [O-]P([O-])O 5537AF [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 C=C(C)C[Mg]Cl 7968AJ [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 C=CC[C@@H](C)O 1174AL [0,1,0,0,0,0|1,0,0]=2 56 B5R0.1 CC#C[C@H](C)O S982 [0,1,0,0,0,0|1,0,1]=3 57 B5R0.1 CC(=O)CCS U742 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.1 CC(C)C[Mg]Cl 8723AJ [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(Cl)CCBr 7250AF [0,1,0,0,0,0|2,0,0]=3 60 B5R0.1 CC(O)CC=O 7261AF [0,1,0,0,0,0|1,0,0]=2 61 B5R0.1 CCCC(C)I 7327AF [0,1,0,0,0,0|2,0,0]=3 62 B5R0.1 CCO[PH](C)=O 8330AA [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 CN(C)CCCl X8859 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 C[C@H](O)CC#N W1944 [0,1,0,0,0,0|0,0,1]=2 65 B5R0.3 C=C(CBr)CBr 7716AA [0,1,0,0,0,0|2,0,1]=4 66 B5R0.3 CCC(=O)CN 2095AC [0,1,0,0,0,0|0,0,2]=3 67 B5R0.3 CCC(N)CN Y2034 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.3 CC[C@H](C)C#N 1254AL [0,1,0,0,0,0|2,0,0]=3 69 B5R0.3 COC(=O)CN W7382 [0,1,0,0,0,0|0,0,2]=3 70 B5R0.3 C[C@@H](CO)CBr 6877AC [0,1,0,0,0,0|1,0,0]=2 71 B5R0.3 N#CC(Cl)CCl S763 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.3 NC(CF)CF 7992AC [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 NC[C@@H](O)CCl Z2104 [0,1,0,0,0,0|0,0,0]=1 74 B5R0.3 NC[C@H](O)CCl Z2048 [0,1,0,0,0,0|0,0,0]=1 75 B5R0.3 O=C(CF)CF 3891AE [0,1,0,0,0,0|1,0,2]=4 76 B5R0.3 O=C(CO)CBr 0236AP [0,1,0,0,0,0|1,0,2]=4 77 B5R0.3 OCC(O)CF 6245AB [0,1,0,0,0,0|1,0,0]=2 78 B5R0.3 OC[C@@H](O)CBr 7112AA [0,1,0,0,0,0|1,0,0]=2 79 B5R0.3 OC[C@H](O)CBr 6586AA [0,1,0,0,0,0|1,0,0]=2 80 B5R0.4 CC(C)(C)N=O 9880AL [0,1,0,0,0,0|3,0,0]=4 81 B5R0.4 CC(C)(N)C#N E319 [0,1,0,0,0,0|1,0,2]=4 82 B5R0.4 CCP(=O)(O)O S851 [0,1,0,0,0,0|3,0,0]=4 83 B5R0.4 CC[Si](C)(C)C 9692AJ [0,1,0,0,0,0|2,1,0]=4 84 B5R0.4 CS(=O)(=O)CN 4990AB [0,1,0,0,0,0|1,0,1]=3 85 B5R0.4 CS(=O)(=O)NN 0927AA [0,1,0,0,0,0|2,0,1]=4 86 B5R0.4 C[Si](C)(Cl)CBr 7290AL [0,1,0,0,0,0|2,1,0]=4 87 B5R0.4 ClCC(Cl)(Cl)Cl 4317AL [0,1,0,0,0,0|3,0,0]=4 88 B5R0.5 CC(=O)C(C)Br V0402 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.5 CC(=O)C(Cl)Cl 7020AF [0,1,0,0,0,0|1,0,2]=4 90 B5R0.5 CC(Br)C(Br)Br 7028AF [0,1,0,0,0,0|2,0,0]=3 91 B5R0.5 CC(C)C(C)N 4455AL [0,1,0,0,0,0|1,0,0]=2 92 B5R0.5 CC(Cl)C(C)Cl 5219AL [0,1,0,0,0,0|2,0,0]=3 93 B5R0.5 CC(O)C(=O)[O-] P973 [0,1,0,0,0,0|1,0,1]=3 94 B5R0.5 CC(O)C(=O)[O-] Z1915 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.5 CC(O)C(=O)[O-] Z1916 [0,1,0,0,0,0|1,0,1]=3 96 B5R0.5 CC(O)C(N)=O 7066AF [0,1,0,0,0,0|0,0,1]=2 97 B5R0.5 C[C@H](O)C(N)=O 4862AC [0,1,0,0,0,0|0,0,1]=2 98 B5R0.5 O=C(O)C(Cl)Br R838 [0,1,0,0,0,0|2,0,1]=4 99 B5R1.2 CC1CCN1 2132AL [0,0,0,1,0,0|2,0,0]=3 100 B5R1.2 NC1CNC1 X8588 [0,0,0,1,0,0|1,0,0]=2 101 B5R1.3 C=CC1CC1 3916AL [0,0,0,1,0,0|2,0,1]=4 102 B5R1.3 CCC1CN1 Y8453 [0,0,0,1,0,0|2,0,0]=3 103 B5R1.3 ClCC1CS1 Y8722 [0,0,0,1,0,0|1,1,0]=3 104 B5R1.4 CC1OC1C 5247AL [0,0,0,1,0,0|1,0,0]=2 105 B5R1.5 CC1(N)CC1 W4667 [0,0,0,1,0,0|2,0,0]=3 106 B2R0.1 CC#N 7003AL [2,0,0,0,0,0|0,0,2]=4 107 B2R0.1 CC[O-] 8766AJ [2,0,0,0,0,0|0,0,1]=3 108 B2R0.1 C[As]=O S766 [2,0,0,0,0,0|1,0,1]=4 109 B2R0.1 N#CN 8279AF [2,0,0,0,0,0|1,0,1]=4 110 B2R0.1 N[Hg]Cl 8710AF [2,0,0,0,0,0|2,0,0]=4 111 B2R0.1 O[AlH4]Cl Z6073 [2,0,0,0,0,0|2,0,0]=4 112 B2R0.1 O[Cd]O 8255AF [2,0,0,0,0,0|2,0,0]=4 113 B2R0.1 O[Sr]O 8690AF [2,0,0,0,0,0|2,0,0]=4 114 B2R0.1 SCS Y1944 [2,0,0,0,0,0|1,1,0]=4 115 B4R0.2 C=CCON 7592AH [1,1,0,0,0,0|0,0,2]=4 116 B4R0.2 CCCC[NH3+] 7121AF [1,1,0,0,0,0|0,0,1]=3 117 B4R0.2 CCCC[O-] S459 [1,1,0,0,0,0|1,0,0]=3 118 B4R0.2 CCC[Mg]Cl 9030AJ [1,1,0,0,0,0|1,0,0]=3 119 B4R0.2 CCNCC Y1600 [1,1,0,0,0,0|1,0,0]=3 120 B4R0.2 CCSC#N 7036AF [1,1,0,0,0,0|0,0,2]=4 121 B4R0.2 CC\C=C\Br 3495AB [1,1,0,0,0,0|1,0,1]=4 122 B4R0.2 C\C=C\CN Q938 [1,1,0,0,0,0|0,0,1]=3 123 B4R0.2 FCCCF Y3147 [1,1,0,0,0,0|1,0,0]=3 124 B4R0.2 NOCCO 0128AP [1,1,0,0,0,0|0,0,0]=2 125 B4R0.2 O=CCCF 2017AC [1,1,0,0,0,0|1,0,1]=4 126 B4R0.2 OCC#CI X4687 [1,1,0,0,0,0|1,0,1]=4 127 B4R0.3 CC(C)(C)P Y1715 [1,1,0,0,0,0|1,0,0]=3 128 B4R0.3 CP(=O)(O)O I632 [1,1,0,0,0,0|2,0,0]=4 129 B4R0.3 C[As](C)(=O)[O-] 5112AF [1,1,0,0,0,0|1,0,1]=4 130 B4R0.3 C[As](C)(=O)[O-] 5299AF [1,1,0,0,0,0|1,0,1]=4 131 B4R0.3 C[As](C)(=O)[O-] M325 [1,1,0,0,0,0|1,0,1]=4 132 B4R0.3 C[N+](C)(C)C 6550AD [1,1,0,0,0,0|2,0,0]=4 133 B4R0.3 C[N+](C)(C)C 7124AF [1,1,0,0,0,0|2,0,0]=4 134 B4R0.3 C[N+](C)(C)C 9118AJ [1,1,0,0,0,0|2,0,0]=4 135 B4R0.3 C[N+](C)(C)C 9119AJ [1,1,0,0,0,0|2,0,0]=4 136 B6R0.1 BrCCC(Br)CBr F672 [0,2,0,0,0,0|2,0,0]=4 137 B6R0.1 CC(CN)CCN 7844AA [0,2,0,0,0,0|1,0,0]=3 138 B6R0.1 CCCC(Br)CBr R241 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.1 CCCC(N)CC 7574AF [0,2,0,0,0,0|2,0,0]=4 140 B6R0.1 CCC[C@@H](C)CO N835 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.1 CCN(C)CCO Z5820 [0,2,0,0,0,0|2,0,0]=4 142 B6R0.1 CCOC(Br)CBr V0731 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.1 CC[C@@H](N)COC 8544AH [0,2,0,0,0,0|2,0,0]=4 144 B6R0.1 CC[C@H](N)COC 8568AH [0,2,0,0,0,0|2,0,0]=4 145 B6R0.1 CC\C(C)=N\O[SiH3] O469 [0,2,0,0,0,0|1,0,1]=4 146 B6R0.1 COC(=O)CCN 5700AB [0,2,0,0,0,0|0,0,2]=4 147 B6R0.1 C\C=C\C(C)CC 6598AL [0,2,0,0,0,0|2,0,0]=4 148 B6R0.1 N#CC[C@H](O)CO Q266 [0,2,0,0,0,0|0,0,1]=3 149 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,2,0,0,0,0|1,0,0]=3 150 B6R0.1 OCC[C@H](O)CCl Z2061 [0,2,0,0,0,0|1,0,0]=3 151 B6R0.2 CC(C)CC(=O)Cl V2138 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.2 CC(C)CC(=O)[O-] 7399AF [0,2,0,0,0,0|2,0,0]=4 153 B6R0.2 CC(C)CC(=O)[O-] 7400AF [0,2,0,0,0,0|2,0,0]=4 154 B6R0.2 CC(C)C[C@@H](C)O 7431AJ [0,2,0,0,0,0|1,0,0]=3 155 B6R0.2 CC(C)SC(=N)N 2036AH [0,2,0,0,0,0|1,0,1]=4 156 B6R0.2 C[C@H](O)CC(=O)O Z4946 [0,2,0,0,0,0|1,0,0]=3 157 B6R0.3 C=C(C)C(C)CC 7776AF [0,2,0,0,0,0|2,0,0]=4 158 B6R0.3 C=CC(N)C(=O)O 7462AB [0,2,0,0,0,0|1,0,1]=4 159 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [0,2,0,0,0,0|1,0,1]=4 160 B6R0.3 CC(C)C(Br)C=O 9932AB [0,2,0,0,0,0|2,0,0]=4 161 B6R0.3 CC(CCl)N(C)C X4629 [0,2,0,0,0,0|2,0,0]=4 162 B6R0.3 CC(O)C(=O)O[Ag] 7026AF [0,2,0,0,0,0|1,0,1]=4 163 B6R0.3 CC(O)C(=O)O[Ag] 7027AF [0,2,0,0,0,0|1,0,1]=4 164 B6R0.3 CC[C@H](C)C(=O)O Z9667 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.3 COC(=O)C(C)N X3707 [0,2,0,0,0,0|0,0,2]=4 166 B6R0.3 O=C(O)C(Br)CF 5339AD [0,2,0,0,0,0|2,0,0]=4 167 B6R0.4 CC(C)=CCON 4432AJ [0,2,0,0,0,0|1,0,1]=4 168 B6R0.4 CCC#CC(C)O I840 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.4 CNCCC(C)C 5617AB [0,2,0,0,0,0|1,0,0]=3 170 B6R0.4 CNCC[C@H](C)N 9254AH [0,2,0,0,0,0|1,0,0]=3 171 B6R0.4 O=CNCC(=O)O Y4936 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.5 CC(C)(C)CCCl Y8557 [0,2,0,0,0,0|2,0,0]=4 173 B6R0.5 CCCC(C)(C)N 5068AE [0,2,0,0,0,0|2,0,0]=4 174 B6R0.5 CCOP(C)(=O)O X3731 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.8 C=CC(C)(O)CC 7513AF [0,2,0,0,0,0|1,0,0]=3 176 B6R0.9 C=CC(CC)CO 7511AB [0,2,0,0,0,0|1,0,1]=4 177 B6R0.9 NCN(CN)CN Y1614 [0,2,0,0,0,0|2,0,0]=4 178 B6R0.7 CC(C)(Cl)C(Cl)Cl 4333AL [0,2,0,0,0,0|2,0,0]=4 179 B6R0.7 CC(N)C(C)(C)O 2127AJ [0,2,0,0,0,0|0,0,0]=2 180 B6R0.7 C[C@@H](N)C(C)(C)O 8994AH [0,2,0,0,0,0|0,0,0]=2 181 B6R0.7 C[C@H](N)P(=O)(O)O 9220AJ [0,2,0,0,0,0|2,0,0]=4 182 B6R0.7 C[C@H](O)C(F)(F)F Z2134 [0,2,0,0,0,0|1,0,0]=3 183 B6R1.2 CC1C=COC1 8769AA [0,1,0,1,0,0|1,0,1]=4 184 B6R1.2 ClC1CCNC1 X3739 [0,1,0,1,0,0|1,0,0]=3 185 B6R1.2 NC1CCCC1 0142AP [0,1,0,1,0,0|2,0,0]=4 186 B6R1.2 O=C1CCNC1 R079 [0,1,0,1,0,0|0,0,2]=4 187 B6R1.2 OC1CC=CC1 X4956 [0,1,0,1,0,0|1,0,0]=3 188 B6R1.2 OC1CCCO1 5572AJ [0,1,0,1,0,0|1,0,0]=3 189 B6R1.3 BrCCC1CC1 8486AH [0,1,0,1,0,0|2,0,0]=4 190 B6R1.3 BrCC[C@H]1CO1 9072AH [0,1,0,1,0,0|1,0,0]=3 191 B6R1.3 CCCC1CN1 Y8874 [0,1,0,1,0,0|2,0,0]=4 192 B6R1.3 NCCN1CC1 2655AE [0,1,0,1,0,0|2,0,0]=4 193 B6R1.3 O=CCC1CC1 8199AB [0,1,0,1,0,0|2,0,0]=4 194 B6R1.5 CN1CC(N)C1 6717AC [0,1,0,1,0,0|1,0,0]=3 195 B6R1.8 C=C1CC1CO Y8583 [0,1,0,1,0,0|1,0,1]=4 196 B6R1.9 NC1CC1(F)F 1312AJ [0,1,0,1,0,0|1,0,0]=3 197 B6R1.10 CC1(C)CCN1 Y6998 [0,1,0,1,0,0|1,0,0]=3 198 B6R1.11 CC(N)C1CC1 8215AA [0,1,0,1,0,0|1,0,0]=3 199 B6R1.11 NC(=O)C1CO1 0131AQ [0,1,0,1,0,0|0,0,1]=3 200 B6R1.6 CNC1COC1 4219AF [0,1,0,1,0,0|2,0,0]=4 201 B6R1.6 [C-]#[N+]C1CCC1 2868AF [0,1,0,1,0,0|2,0,0]=4 202 B6R1.7 C=CC1(C)CO1 2118AL [0,1,0,1,0,0|1,0,1]=4 203 B6R1.7 CC1(CN)CC1 4593AF [0,1,0,1,0,0|1,0,0]=3 204 B6R1.7 CC1(CN)CC1 X3846 [0,1,0,1,0,0|1,0,0]=3