0 B3R0.2 C=C(C)Br 27228 [0,0,0,0,0,0|1,0,2]=3 1 B3R0.2 CB(O)O 6018 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)Cl 17265 [0,0,0,0,0,0|1,0,2]=3 3 B3R0.2 CC(=O)O 22173 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 CC(=O)[O-] 10966 [0,0,0,0,0,0|1,0,2]=3 5 B3R0.2 CC(=O)[O-] 18178 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.2 CC(=O)[O-] 26340 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.2 CC(=O)[O-] 3997 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.2 CC(C)Br 18655 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.2 CC(C)I 21400 [0,0,0,0,0,0|1,0,0]=1 10 B3R0.2 CC(F)F 21302 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CC(O)=S 28961 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 CC([O-])=S 25455 [0,0,0,0,0,0|1,0,2]=3 13 B3R0.2 CN(C)C 18299 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 CP(C)C 20413 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 CS(=O)[O-] 28957 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.2 CS(C)=O 44865 [0,0,0,0,0,0|1,0,1]=2 17 B3R0.2 C[PH](C)=O 29395 [0,0,0,0,0,0|1,0,1]=2 18 B3R0.2 C[S+](C)C 44700 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.2 ClC(Br)Br 12531 [0,0,0,0,0,0|3,0,0]=3 20 B3R0.2 Cl[Ru](Cl)Cl 7652 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 IC(I)I 28148 [0,0,0,0,0,0|3,0,0]=3 22 B3R0.2 N=C(N)N 21372 [0,0,0,0,0,0|3,0,1]=4 23 B3R0.2 N=C(N)N 36005 [0,0,0,0,0,0|3,0,1]=4 24 B3R0.2 O=C([O-])O 23592 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.2 O=C([O-])[O-] 19981 [0,0,0,0,0,0|2,0,2]=4 26 B3R0.2 O=C([O-])[O-] 26167 [0,0,0,0,0,0|2,0,2]=4 27 B3R0.2 O=I(=O)[O-] 23596 [0,0,0,0,0,0|3,0,1]=4 28 B3R0.2 O=I(=O)[O-] 35037 [0,0,0,0,0,0|3,0,1]=4 29 B3R0.2 O=S(Br)Br 2023 [0,0,0,0,0,0|3,0,1]=4 30 B3R0.2 O=[Os](=O)=O 29022 [0,0,0,0,0,0|3,0,1]=4 31 B3R0.2 OB(O)O 10918 [0,0,0,0,0,0|3,0,0]=3 32 B3R0.2 PC(Cl)Cl 6473 [0,0,0,0,0,0|3,0,0]=3 33 B3R0.2 [O-]B([O-])[O-] 36100 [0,0,0,0,0,0|3,0,1]=4 34 B2R0.1 CCI 21355 [1,0,0,0,0,0|1,0,0]=2 35 B2R0.1 CCN 45201 [1,0,0,0,0,0|1,0,0]=2 36 B2R0.1 CC[O-] 26132 [1,0,0,0,0,0|0,0,1]=2 37 B2R0.1 CNC 18186 [1,0,0,0,0,0|1,0,0]=2 38 B2R0.1 CSC 14218 [1,0,0,0,0,0|1,0,0]=2 39 B2R0.1 CSC 36251 [1,0,0,0,0,0|1,0,0]=2 40 B2R0.1 C[Mg]Br 20745 [1,0,0,0,0,0|2,0,0]=3 41 B2R0.1 ClCBr 2209 [1,0,0,0,0,0|2,0,0]=3 42 B2R0.1 Cl[Co]Cl 25246 [1,0,0,0,0,0|3,0,0]=4 43 B2R0.1 FCBr 2382 [1,0,0,0,0,0|2,0,0]=3 44 B2R0.1 FCCl 35673 [1,0,0,0,0,0|2,0,0]=3 45 B2R0.1 N#CBr 12515 [1,0,0,0,0,0|2,0,1]=4 46 B2R0.1 N#C[Cu] 24249 [1,0,0,0,0,0|2,0,1]=4 47 B2R0.1 N#C[O-] 23312 [1,0,0,0,0,0|1,0,2]=4 48 B2R0.1 O=[PH2][O-] 12707 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 C#CC(=O)O 23201 [0,1,0,0,0,0|1,0,2]=4 50 B4R0.1 C#CC(C)=O 2024 [0,1,0,0,0,0|0,0,3]=4 51 B4R0.1 C#C[C@@H](C)O 20211 [0,1,0,0,0,0|0,0,1]=2 52 B4R0.1 C=C(C)CCl 20429 [0,1,0,0,0,0|1,0,1]=3 53 B4R0.1 C=CC(=O)O 21090 [0,1,0,0,0,0|1,0,2]=4 54 B4R0.1 CC(=O)CBr 24199 [0,1,0,0,0,0|0,0,2]=3 55 B4R0.1 CC(C)=CBr 29713 [0,1,0,0,0,0|1,0,1]=3 56 B4R0.1 CC(C)CI 3951 [0,1,0,0,0,0|1,0,0]=2 57 B4R0.1 CC(C)NN 26972 [0,1,0,0,0,0|1,0,0]=2 58 B4R0.1 CC(O)CBr 12555 [0,1,0,0,0,0|0,0,0]=1 59 B4R0.1 CC=C(C)C 2026 [0,1,0,0,0,0|1,0,1]=3 60 B4R0.1 CCB(O)O 7960 [0,1,0,0,0,0|2,0,0]=3 61 B4R0.1 CCC(C)Br 3753 [0,1,0,0,0,0|1,0,0]=2 62 B4R0.1 CCC(C)I 3940 [0,1,0,0,0,0|1,0,0]=2 63 B4R0.1 CCC(C)O 6718 [0,1,0,0,0,0|0,0,0]=1 64 B4R0.1 CCC([NH-])=O 10938 [0,1,0,0,0,0|1,0,2]=4 65 B4R0.1 CCN(C)C 10322 [0,1,0,0,0,0|2,0,0]=3 66 B4R0.1 CCS(=O)[O-] 24643 [0,1,0,0,0,0|2,0,1]=4 67 B4R0.1 CC[C@@H](C)N 6741 [0,1,0,0,0,0|1,0,0]=2 68 B4R0.1 CC[C@@H](C)O 6717 [0,1,0,0,0,0|0,0,0]=1 69 B4R0.1 CC[C@H](C)N 6743 [0,1,0,0,0,0|1,0,0]=2 70 B4R0.1 CN(C)C=O 23341 [0,1,0,0,0,0|1,0,1]=3 71 B4R0.1 CNC(C)C 10279 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.1 CNC(N)=S 35584 [0,1,0,0,0,0|1,1,1]=4 73 B4R0.1 COC(C)=N 2122 [0,1,0,0,0,0|1,0,1]=3 74 B4R0.1 COC(Cl)Cl 2376 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.1 CSC(=N)N 20041 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.1 C[C@@H](Cl)CO 8287 [0,1,0,0,0,0|1,0,0]=2 77 B4R0.1 C[C@@H](N)CN 29215 [0,1,0,0,0,0|1,0,0]=2 78 B4R0.1 C[C@@H](N)CO 9884 [0,1,0,0,0,0|1,0,0]=2 79 B4R0.1 C[C@@H](O)CBr 23955 [0,1,0,0,0,0|0,0,0]=1 80 B4R0.1 C[C@@H](O)CCl 14071 [0,1,0,0,0,0|0,0,0]=1 81 B4R0.1 C[C@@H](O)CI 23956 [0,1,0,0,0,0|0,0,0]=1 82 B4R0.1 C[C@@H](O)CN 5721 [0,1,0,0,0,0|0,0,0]=1 83 B4R0.1 C[C@@H](O)CO 5857 [0,1,0,0,0,0|0,0,0]=1 84 B4R0.1 C[C@H](Cl)CO 8285 [0,1,0,0,0,0|1,0,0]=2 85 B4R0.1 C[C@H](N)CN 15232 [0,1,0,0,0,0|1,0,0]=2 86 B4R0.1 C[C@H](N)CO 5710 [0,1,0,0,0,0|1,0,0]=2 87 B4R0.1 C[C@H](O)CBr 20478 [0,1,0,0,0,0|0,0,0]=1 88 B4R0.1 C[C@H](O)CCl 14072 [0,1,0,0,0,0|0,0,0]=1 89 B4R0.1 C[C@H](O)CN 5720 [0,1,0,0,0,0|0,0,0]=1 90 B4R0.1 C[C@H](O)CO 5853 [0,1,0,0,0,0|0,0,0]=1 91 B4R0.1 C\C(N)=N\O 31948 [0,1,0,0,0,0|1,0,1]=3 92 B4R0.1 C\C=C(/C)Br 29073 [0,1,0,0,0,0|1,0,1]=3 93 B4R0.1 N#CC(Br)Br 12509 [0,1,0,0,0,0|2,0,1]=4 94 B4R0.1 N#CC(Cl)Cl 17242 [0,1,0,0,0,0|2,0,1]=4 95 B4R0.1 N=C(N)CCl 20222 [0,1,0,0,0,0|2,0,1]=4 96 B4R0.1 NC(=O)CBr 31995 [0,1,0,0,0,0|1,0,2]=4 97 B4R0.1 NC(=O)CI 12542 [0,1,0,0,0,0|1,0,2]=4 98 B4R0.1 NCC(=O)O 18924 [0,1,0,0,0,0|1,0,1]=3 99 B4R0.1 NCC(=O)[O-] 26210 [0,1,0,0,0,0|1,0,2]=4 100 B4R0.1 NCC(=O)[O-] 9921 [0,1,0,0,0,0|1,0,2]=4 101 B4R0.1 NCC(N)=O 13019 [0,1,0,0,0,0|1,0,2]=4 102 B4R0.1 O=C(Cl)CBr 24880 [0,1,0,0,0,0|1,0,2]=4 103 B4R0.1 O=C(O)CBr 13144 [0,1,0,0,0,0|1,0,1]=3 104 B4R0.1 O=CC(=O)O 19965 [0,1,0,0,0,0|1,0,2]=4 105 B4R0.1 OCC(F)F 26977 [0,1,0,0,0,0|2,0,0]=3 106 B4R0.1 ON=C(Br)Br 18640 [0,1,0,0,0,0|2,0,1]=4 107 B4R0.1 PCC(Cl)Cl 6479 [0,1,0,0,0,0|2,0,0]=3 108 B4R0.1 [C-]#[N+]C(C)C 29396 [0,1,0,0,0,0|1,0,0]=2 109 B4R0.3 CC(C)(C)Br 3814 [0,1,0,0,0,0|1,0,0]=2 110 B4R0.3 CC(C)(C)N 18255 [0,1,0,0,0,0|1,0,0]=2 111 B4R0.3 CC(C)(C)O 3012 [0,1,0,0,0,0|0,0,0]=1 112 B4R0.3 CC(C)(C)[O-] 18949 [0,1,0,0,0,0|0,0,1]=2 113 B4R0.3 CC(C)(C)[O-] 29323 [0,1,0,0,0,0|0,0,1]=2 114 B4R0.3 CC(O)(O)O 21654 [0,1,0,0,0,0|1,0,0]=2 115 B4R0.3 CP(=O)(Cl)Cl 25538 [0,1,0,0,0,0|2,0,1]=4 116 B4R0.3 CS(=O)(=O)Cl 1917 [0,1,0,0,0,0|2,0,1]=4 117 B4R0.3 CS(=O)(=O)O 11149 [0,1,0,0,0,0|2,0,0]=3 118 B4R0.3 CS(=O)(=O)[O-] 11154 [0,1,0,0,0,0|2,0,1]=4 119 B4R0.3 CS(=O)(=O)[O-] 2058 [0,1,0,0,0,0|2,0,1]=4 120 B4R0.3 C[B-](F)(F)F 11284 [0,1,0,0,0,0|3,0,0]=4 121 B4R0.3 C[N+](C)(C)C 29006 [0,1,0,0,0,0|2,0,0]=3 122 B4R0.3 C[N+](C)(C)C 45105 [0,1,0,0,0,0|2,0,0]=3 123 B4R0.3 C[Si](C)(C)C 23760 [0,1,0,0,0,0|1,1,0]=3 124 B4R0.3 C[Si](C)(C)O 26363 [0,1,0,0,0,0|0,1,0]=2 125 B4R0.3 FC(F)(Br)Br 26155 [0,1,0,0,0,0|3,0,0]=4 126 B4R0.3 O=I(=O)(=O)O 10330 [0,1,0,0,0,0|3,0,0]=4 127 B4R0.3 O=S(=O)(O)O 15719 [0,1,0,0,0,0|3,0,0]=4 128 B4R0.3 O=S(=O)(O)O 23245 [0,1,0,0,0,0|3,0,0]=4 129 B4R0.3 O=S(=O)(O)O 27282 [0,1,0,0,0,0|3,0,0]=4 130 B4R0.3 O=S(=O)(O)O 35641 [0,1,0,0,0,0|3,0,0]=4 131 B4R0.3 O[Si](O)(O)O 23349 [0,1,0,0,0,0|2,1,0]=4 132 B4R1.2 BrC1CC1 14417 [0,0,0,1,0,0|1,0,0]=2 133 B4R1.2 CC1=CC1 18904 [0,0,0,1,0,0|1,0,1]=3 134 B4R1.2 C[C@@H]1CO1 5829 [0,0,0,1,0,0|0,0,0]=1 135 B4R1.2 C[C@H]1CO1 5828 [0,0,0,1,0,0|0,0,0]=1 136 B4R1.2 OC1CC1 34599 [0,0,0,1,0,0|0,0,0]=1 137 B1R0.1 CF 29083 [2,0,0,0,0,0|1,0,0]=3 138 B1R0.1 CN 29301 [2,0,0,0,0,0|1,0,0]=3 139 B1R0.1 C[S-] 7072 [2,0,0,0,0,0|0,1,0]=3 140 B1R0.1 ClI 21352 [2,0,0,0,0,0|2,0,0]=4 141 B1R0.1 NN 17422 [2,0,0,0,0,0|2,0,0]=4 142 B1R0.1 NN 21005 [2,0,0,0,0,0|2,0,0]=4 143 B1R0.1 NN 26395 [2,0,0,0,0,0|2,0,0]=4 144 B1R0.1 NO 23590 [2,0,0,0,0,0|1,0,0]=3 145 B1R0.1 [C-]#[O+] 35949 [2,0,0,0,0,0|0,0,2]=4 146 B3R0.1 C#CCBr 20264 [1,1,0,0,0,0|0,0,2]=4 147 B3R0.1 C#CCN 18842 [1,1,0,0,0,0|0,0,2]=4 148 B3R0.1 C#CCN 18845 [1,1,0,0,0,0|0,0,2]=4 149 B3R0.1 C=CCCl 35025 [1,1,0,0,0,0|0,0,2]=4 150 B3R0.1 C=CCI 12655 [1,1,0,0,0,0|0,0,2]=4 151 B3R0.1 C=CCN 19133 [1,1,0,0,0,0|0,0,2]=4 152 B3R0.1 CCCI 3977 [1,1,0,0,0,0|0,0,0]=2 153 B3R0.1 CCC[S-] 35319 [1,1,0,0,0,0|0,0,0]=2 154 B3R0.1 CCNC 10275 [1,1,0,0,0,0|0,0,0]=2 155 B3R0.1 CCNN 16833 [1,1,0,0,0,0|1,0,0]=3 156 B3R0.1 CCON 35706 [1,1,0,0,0,0|0,0,0]=2 157 B3R0.1 CC[Mg]Br 23799 [1,1,0,0,0,0|1,0,0]=3 158 B3R0.1 CNC=O 35283 [1,1,0,0,0,0|0,0,2]=4 159 B3R0.1 CNOC 25934 [1,1,0,0,0,0|1,0,0]=3 160 B3R0.1 COCBr 23167 [1,1,0,0,0,0|1,0,0]=3 161 B3R0.1 CSSC 9665 [1,1,0,0,0,0|1,0,0]=3 162 B3R0.1 N#CCBr 12656 [1,1,0,0,0,0|1,0,1]=4 163 B3R0.1 N#CCI 12543 [1,1,0,0,0,0|1,0,1]=4 164 B3R0.1 NCCBr 32344 [1,1,0,0,0,0|1,0,0]=3 165 B3R0.1 NCCF 19132 [1,1,0,0,0,0|1,0,0]=3 166 B3R0.1 NCCO 24767 [1,1,0,0,0,0|0,0,0]=2 167 B3R0.1 SCCS 12844 [1,1,0,0,0,0|0,1,0]=3 168 B5R0.1 C#CCC(C)O 26123 [0,2,0,0,0,0|0,0,0]=2 169 B5R0.1 C=CCB(O)O 24067 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.1 CC#CC(=O)O 16226 [0,2,0,0,0,0|1,0,1]=4 171 B5R0.1 CC(=O)NCO 11062 [0,2,0,0,0,0|0,0,2]=4 172 B5R0.1 CC(=O)\C=N\O 13359 [0,2,0,0,0,0|1,0,1]=4 173 B5R0.1 CC(=O)\C=N\O 31878 [0,2,0,0,0,0|1,0,1]=4 174 B5R0.1 CC(Br)CCBr 3866 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.1 CC(C)=CC=O 3075 [0,2,0,0,0,0|0,0,2]=4 176 B5R0.1 CC(C)=CCBr 35170 [0,2,0,0,0,0|1,0,1]=4 177 B5R0.1 CC(C)CCI 3950 [0,2,0,0,0,0|1,0,0]=3 178 B5R0.1 CC(C)CNN 18739 [0,2,0,0,0,0|1,0,0]=3 179 B5R0.1 CC(C)N=C=S 16501 [0,2,0,0,0,0|0,1,0]=3 180 B5R0.1 CC(N)CCO 29198 [0,2,0,0,0,0|1,0,0]=3 181 B5R0.1 CCCB(O)O 6019 [0,2,0,0,0,0|2,0,0]=4 182 B5R0.1 CCCC(C)N 26317 [0,2,0,0,0,0|1,0,0]=3 183 B5R0.1 CCC[C@@H](C)O 6721 [0,2,0,0,0,0|0,0,0]=2 184 B5R0.1 CCC[C@H](C)O 6719 [0,2,0,0,0,0|0,0,0]=2 185 B5R0.1 CCNC(C)C 10283 [0,2,0,0,0,0|1,0,0]=3 186 B5R0.1 CCOC(C)=N 2020 [0,2,0,0,0,0|1,0,1]=4 187 B5R0.1 CCSC(C)=S 12459 [0,2,0,0,0,0|0,1,1]=4 188 B5R0.1 CN(C)CC=O 26115 [0,2,0,0,0,0|1,0,1]=4 189 B5R0.1 CN(C)CCS 35662 [0,2,0,0,0,0|1,1,0]=4 190 B5R0.1 CNCC(=O)O 10995 [0,2,0,0,0,0|1,0,1]=4 191 B5R0.1 COCC(C)O 1904 [0,2,0,0,0,0|0,0,0]=2 192 B5R0.1 COC[C@@H](C)O 6714 [0,2,0,0,0,0|0,0,0]=2 193 B5R0.1 COC[C@H](C)O 6715 [0,2,0,0,0,0|0,0,0]=2 194 B5R0.1 C[C@@H](O)CCO 6724 [0,2,0,0,0,0|0,0,0]=2 195 B5R0.1 C[C@H](O)CCO 6722 [0,2,0,0,0,0|0,0,0]=2 196 B5R0.1 C\C=C\B(O)O 6022 [0,2,0,0,0,0|2,0,0]=4 197 B5R0.1 N#CCC(=O)O 20139 [0,2,0,0,0,0|1,0,1]=4 198 B5R0.1 NCCC(=O)O 10996 [0,2,0,0,0,0|1,0,1]=4 199 B5R0.1 O=C(O)CCCl 13689 [0,2,0,0,0,0|1,0,1]=4 200 B5R0.1 O=C(O)CCO 12598 [0,2,0,0,0,0|1,0,1]=4 201 B5R0.1 O=C(O)CCS 36422 [0,2,0,0,0,0|1,0,1]=4 202 B5R0.3 C#CC(O)CC 26391 [0,2,0,0,0,0|0,0,1]=3 203 B5R0.3 C=C[C@H](O)CO 19971 [0,2,0,0,0,0|0,0,1]=3 204 B5R0.3 CCC(N)CO 14779 [0,2,0,0,0,0|1,0,0]=3 205 B5R0.3 CCP(Cl)CC 6480 [0,2,0,0,0,0|2,0,0]=4 206 B5R0.3 CC[C@@H](O)CO 14093 [0,2,0,0,0,0|0,0,0]=2 207 B5R0.3 CC[C@H](C)C#N 32183 [0,2,0,0,0,0|1,0,0]=3 208 B5R0.3 CC[C@H](C)CN 16256 [0,2,0,0,0,0|1,0,0]=3 209 B5R0.3 CC[C@H](O)CO 14096 [0,2,0,0,0,0|0,0,0]=2 210 B5R0.3 COC(=O)CN 10899 [0,2,0,0,0,0|0,0,2]=4 211 B5R0.3 COC(=O)CS 10788 [0,2,0,0,0,0|0,0,2]=4 212 B5R0.3 CO[C@@H](C)CN 17733 [0,2,0,0,0,0|0,0,0]=2 213 B5R0.3 CO[C@@H](C)CN 17747 [0,2,0,0,0,0|0,0,0]=2 214 B5R0.3 CO[C@@H](C)CO 26646 [0,2,0,0,0,0|0,0,0]=2 215 B5R0.3 CO[C@H](C)CN 17734 [0,2,0,0,0,0|0,0,0]=2 216 B5R0.3 CO[C@H](C)CN 17748 [0,2,0,0,0,0|0,0,0]=2 217 B5R0.3 NC(CO)CO 11931 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.3 NC[C@@H](O)CO 5711 [0,2,0,0,0,0|0,0,0]=2 219 B5R0.3 NC[C@H](O)CCl 34211 [0,2,0,0,0,0|0,0,0]=2 220 B5R0.3 NC[C@H](O)CO 5712 [0,2,0,0,0,0|0,0,0]=2 221 B5R0.3 O=C(CO)CO 4053 [0,2,0,0,0,0|0,0,2]=4 222 B5R0.3 O=CC(O)CO 13962 [0,2,0,0,0,0|0,0,1]=3 223 B5R0.3 O=C[C@@H](O)CO 6339 [0,2,0,0,0,0|0,0,1]=3 224 B5R0.3 O=C[C@@H](O)CO 6340 [0,2,0,0,0,0|0,0,1]=3 225 B5R0.3 O=C[C@H](O)CO 6338 [0,2,0,0,0,0|0,0,1]=3 226 B5R0.3 OC(CCl)CCl 5871 [0,2,0,0,0,0|0,0,0]=2 227 B5R0.3 OCC(O)CCl 21311 [0,2,0,0,0,0|0,0,0]=2 228 B5R0.3 OCC(O)CO 16092 [0,2,0,0,0,0|0,0,0]=2 229 B5R0.3 OC[C@@H](O)CCl 5741 [0,2,0,0,0,0|0,0,0]=2 230 B5R0.3 OC[C@H](O)CCl 5740 [0,2,0,0,0,0|0,0,0]=2 231 B5R0.4 C#CC(C)(C)C 12530 [0,2,0,0,0,0|1,0,0]=3 232 B5R0.4 C#C[Si](C)(C)C 12912 [0,2,0,0,0,0|1,1,0]=4 233 B5R0.4 C=CC(C)(C)O 36012 [0,2,0,0,0,0|0,0,0]=2 234 B5R0.4 C=C[N+](C)(C)C 13126 [0,2,0,0,0,0|2,0,0]=4 235 B5R0.4 C=C[Si](C)(C)C 17258 [0,2,0,0,0,0|1,1,0]=4 236 B5R0.4 CC(C)(C)C#N 29032 [0,2,0,0,0,0|1,0,0]=3 237 B5R0.4 CC(C)(C)C=O 1910 [0,2,0,0,0,0|0,0,1]=3 238 B5R0.4 CC(C)(C)CN 28998 [0,2,0,0,0,0|1,0,0]=3 239 B5R0.4 CC(C)(C)N=O 45117 [0,2,0,0,0,0|0,0,1]=3 240 B5R0.4 CC(C)(C)NN 35993 [0,2,0,0,0,0|1,0,0]=3 241 B5R0.4 CC(C)(C)ON 19621 [0,2,0,0,0,0|0,0,0]=2 242 B5R0.4 CC(C)(F)C#N 22301 [0,2,0,0,0,0|1,0,0]=3 243 B5R0.4 CC(C)(N)C#N 25459 [0,2,0,0,0,0|1,0,0]=3 244 B5R0.4 CC(C)(N)CN 28209 [0,2,0,0,0,0|1,0,0]=3 245 B5R0.4 CC(C)(N)CO 2208 [0,2,0,0,0,0|0,0,0]=2 246 B5R0.4 CC(C)(O)CCl 3675 [0,2,0,0,0,0|0,0,0]=2 247 B5R0.4 CC(C)(O)CN 32121 [0,2,0,0,0,0|0,0,0]=2 248 B5R0.4 CC(C)(S)CN 28945 [0,2,0,0,0,0|0,1,0]=3 249 B5R0.4 CC(F)(F)CN 35941 [0,2,0,0,0,0|1,0,0]=3 250 B5R0.4 CC(F)(F)CO 35038 [0,2,0,0,0,0|1,0,0]=3 251 B5R0.4 CCC(C)(C)O 21405 [0,2,0,0,0,0|0,0,0]=2 252 B5R0.4 CNS(C)(=O)=O 23217 [0,2,0,0,0,0|1,0,1]=4 253 B5R0.4 CSS(C)(=O)=O 14140 [0,2,0,0,0,0|1,0,1]=4 254 B5R0.4 C[Si](C)(C)C#N 16763 [0,2,0,0,0,0|1,1,0]=4 255 B5R0.4 C[Si](C)(C)CBr 13669 [0,2,0,0,0,0|1,1,0]=4 256 B5R0.4 C[Si](C)(C)CCl 13668 [0,2,0,0,0,0|1,1,0]=4 257 B5R0.4 C[Si](C)(Cl)CCl 13667 [0,2,0,0,0,0|1,1,0]=4 258 B5R0.4 FC(F)(F)CBr 26156 [0,2,0,0,0,0|2,0,0]=4 259 B5R0.4 FCC(F)(F)F 36090 [0,2,0,0,0,0|2,0,0]=4 260 B5R0.4 NCC(F)(F)F 29092 [0,2,0,0,0,0|2,0,0]=4 261 B5R0.4 NCP(=O)(O)O 44877 [0,2,0,0,0,0|2,0,0]=4 262 B5R0.4 OCC(F)(F)Br 35112 [0,2,0,0,0,0|2,0,0]=4 263 B5R0.4 OCC(F)(F)F 12849 [0,2,0,0,0,0|2,0,0]=4 264 B5R0.4 [Li]C[Si](C)(C)C 18144 [0,2,0,0,0,0|1,1,0]=4 265 B5R0.5 C=C(C)B(O)O 29476 [0,2,0,0,0,0|0,0,2]=4 266 B5R0.5 C=C(C)C(=C)C 36156 [0,2,0,0,0,0|1,0,1]=4 267 B5R0.5 CC(=O)C(=O)O 18177 [0,2,0,0,0,0|1,0,1]=4 268 B5R0.5 CC(=O)C(C)Br 12679 [0,2,0,0,0,0|1,0,0]=3 269 B5R0.5 CC(Br)C(=O)Cl 35707 [0,2,0,0,0,0|1,0,1]=4 270 B5R0.5 CC(Br)C(C)Br 12534 [0,2,0,0,0,0|1,0,0]=3 271 B5R0.5 CC(C)B(O)O 7987 [0,2,0,0,0,0|0,0,0]=2 272 B5R0.5 CC(C)C(=O)Cl 18648 [0,2,0,0,0,0|0,0,1]=3 273 B5R0.5 CC(C)C(C)O 32297 [0,2,0,0,0,0|0,0,0]=2 274 B5R0.5 CC(C)C(N)=O 21345 [0,2,0,0,0,0|0,0,1]=3 275 B5R0.5 CC(Cl)C(=O)O 5746 [0,2,0,0,0,0|1,0,0]=3 276 B5R0.5 CC(F)C(=O)O 13698 [0,2,0,0,0,0|1,0,0]=3 277 B5R0.5 CC(N)B(O)O 33616 [0,2,0,0,0,0|1,0,0]=3 278 B5R0.5 CC(N)C(=O)O 11009 [0,2,0,0,0,0|1,0,0]=3 279 B5R0.5 CC(O)C(=O)O 30331 [0,2,0,0,0,0|0,0,1]=3 280 B5R0.5 CC(O)C(=O)[O-] 20459 [0,2,0,0,0,0|0,0,1]=3 281 B5R0.5 CN(C)C(=N)N 19198 [0,2,0,0,0,0|2,0,0]=4 282 B5R0.5 CN(C)C(=O)Cl 29326 [0,2,0,0,0,0|1,0,1]=4 283 B5R0.5 CN(C)C(=S)Cl 35206 [0,2,0,0,0,0|1,1,0]=4 284 B5R0.5 C[C@@H](Br)C(=O)O 26125 [0,2,0,0,0,0|1,0,0]=3 285 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,2,0,0,0,0|1,0,0]=3 286 B5R0.5 C[C@@H](N)B(O)O 33655 [0,2,0,0,0,0|1,0,0]=3 287 B5R0.5 C[C@@H](N)C(=O)O 11002 [0,2,0,0,0,0|1,0,0]=3 288 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.5 C[C@@H](O)C(=O)O 16738 [0,2,0,0,0,0|0,0,1]=3 290 B5R0.5 C[C@H](Br)C(=O)O 8278 [0,2,0,0,0,0|1,0,0]=3 291 B5R0.5 C[C@H](N)B(O)O 33647 [0,2,0,0,0,0|1,0,0]=3 292 B5R0.5 C[C@H](N)C(=O)O 12862 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.5 C[C@H](N)C(N)=O 5715 [0,2,0,0,0,0|1,0,1]=4 294 B5R0.5 C[C@H](O)C(=O)O 26021 [0,2,0,0,0,0|0,0,1]=3 295 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [0,2,0,0,0,0|2,0,0]=4 296 B5R0.5 O=C(O)C(F)F 12637 [0,2,0,0,0,0|1,0,1]=4 297 B5R0.5 [*]C(=O)[C@H](C)N 24898 [0,2,0,0,0,0|1,0,1]=4 298 B5R1.2 BrC1COC1 35713 [0,1,0,1,0,0|1,0,0]=3 299 B5R1.2 FC1CNC1 10162 [0,1,0,1,0,0|1,0,0]=3 300 B5R1.2 FC1CNC1 24864 [0,1,0,1,0,0|1,0,0]=3 301 B5R1.2 IC1COC1 29373 [0,1,0,1,0,0|1,0,0]=3 302 B5R1.2 NC1CCC1 11047 [0,1,0,1,0,0|1,0,0]=3 303 B5R1.2 NC1CCC1 35736 [0,1,0,1,0,0|1,0,0]=3 304 B5R1.2 NC1COC1 20414 [0,1,0,1,0,0|1,0,0]=3 305 B5R1.2 O=C1CCC1 9021 [0,1,0,1,0,0|0,0,2]=4 306 B5R1.2 O=C1CCO1 2546 [0,1,0,1,0,0|0,0,2]=4 307 B5R1.2 O=C1COC1 15880 [0,1,0,1,0,0|0,0,2]=4 308 B5R1.2 O=C1CSC1 25389 [0,1,0,1,0,0|0,0,2]=4 309 B5R1.2 OC1CCC1 27295 [0,1,0,1,0,0|0,0,0]=2 310 B5R1.2 OC1CNC1 10157 [0,1,0,1,0,0|0,0,0]=2 311 B5R1.2 OC1CNC1 12930 [0,1,0,1,0,0|0,0,0]=2 312 B5R1.2 OC1COC1 17367 [0,1,0,1,0,0|0,0,0]=2 313 B5R1.3 BrCC1CC1 13771 [0,1,0,1,0,0|1,0,0]=3 314 B5R1.3 BrCC1CO1 21362 [0,1,0,1,0,0|0,0,0]=2 315 B5R1.3 C=CC1CO1 23575 [0,1,0,1,0,0|0,0,1]=3 316 B5R1.3 CC[C@@H]1CO1 14098 [0,1,0,1,0,0|0,0,0]=2 317 B5R1.3 CC[C@H]1CO1 14100 [0,1,0,1,0,0|0,0,0]=2 318 B5R1.3 ClCC1CC1 10983 [0,1,0,1,0,0|1,0,0]=3 319 B5R1.3 ClCC1CO1 5779 [0,1,0,1,0,0|0,0,0]=2 320 B5R1.3 ClCC1CO1 5780 [0,1,0,1,0,0|0,0,0]=2 321 B5R1.3 NNC1CC1 45053 [0,1,0,1,0,0|1,0,0]=3 322 B5R1.3 O=CC1CC1 12460 [0,1,0,1,0,0|0,0,1]=3 323 B5R1.3 OCC1CC1 9773 [0,1,0,1,0,0|0,0,0]=2 324 B5R1.3 OCC1CO1 21960 [0,1,0,1,0,0|0,0,0]=2 325 B5R1.3 OC[C@@H]1CO1 5832 [0,1,0,1,0,0|0,0,0]=2 326 B5R1.3 OC[C@H]1CO1 5836 [0,1,0,1,0,0|0,0,0]=2 327 B5R1.4 CC1OC1C 35217 [0,1,0,1,0,0|0,0,0]=2 328 B5R1.5 CC1(C)CO1 12772 [0,1,0,1,0,0|0,0,0]=2