0 B3R0.2 C=C(C)Br 27228 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 CB(O)O 6018 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CC(=O)Cl 17265 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 CC(=O)O 22173 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CC(=O)[O-] 10966 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 CC(=O)[O-] 18178 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 CC(=O)[O-] 26340 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 CC(=O)[O-] 3997 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.2 CC(C)Br 18655 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(C)I 21400 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(F)F 21302 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 CC(O)=S 28961 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 CC([O-])=S 25455 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.2 CN(C)C 18299 [0,0,0,0,0,0|0,0,0]=0 14 B3R0.2 CP(C)C 20413 [0,0,0,0,0,0|0,1,0]=1 15 B3R0.2 CS(=O)[O-] 28957 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.2 CS(C)=O 44865 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 C[PH](C)=O 29395 [0,0,0,0,0,0|1,1,0]=2 18 B3R0.2 C[S+](C)C 44700 [0,0,0,0,0,0|1,0,0]=1 19 B3R0.2 ClC(Br)Br 12531 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 22 B3R0.2 N=C(N)N 21372 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.2 N=C(N)N 36005 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 O=C([O-])O 23592 [0,0,0,0,0,0|4,0,0]=4 25 B3R0.2 O=C([O-])[O-] 19981 [0,0,0,0,0,0|4,0,0]=4 26 B3R0.2 O=C([O-])[O-] 26167 [0,0,0,0,0,0|4,0,0]=4 27 B3R0.2 O=I(=O)[O-] 23596 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.2 O=I(=O)[O-] 35037 [0,0,0,0,0,0|4,0,0]=4 29 B3R0.2 O=S(Br)Br 2023 [0,0,0,0,0,0|4,0,0]=4 30 B3R0.2 O=[Os](=O)=O 29022 [0,0,0,0,0,0|4,0,0]=4 31 B3R0.2 OB(O)O 10918 [0,0,0,0,0,0|4,0,0]=4 32 B3R0.2 PC(Cl)Cl 6473 [0,0,0,0,0,0|4,0,0]=4 33 B3R0.2 [O-]B([O-])[O-] 36100 [0,0,0,0,0,0|4,0,0]=4 34 B2R0.1 CCI 21355 [1,0,0,0,0,0|2,0,0]=3 35 B2R0.1 CCN 45201 [1,0,0,0,0,0|2,0,0]=3 36 B2R0.1 CC[O-] 26132 [1,0,0,0,0,0|2,0,0]=3 37 B2R0.1 CNC 18186 [1,0,0,0,0,0|0,0,0]=1 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|3,0,0]=4 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|3,0,0]=4 44 B2R0.1 FCCl 35673 [1,0,0,0,0,0|3,0,0]=4 45 B2R0.1 N#CBr 12515 [1,0,0,0,0,0|3,0,0]=4 46 B2R0.1 N#C[Cu] 24249 [1,0,0,0,0,0|3,0,0]=4 47 B2R0.1 N#C[O-] 23312 [1,0,0,0,0,0|3,0,0]=4 48 B2R0.1 O=[PH2][O-] 12707 [1,0,0,0,0,0|2,1,0]=4 49 B4R0.1 C#CC(C)=O 2024 [0,1,0,0,0,0|2,0,1]=4 50 B4R0.1 C#C[C@@H](C)O 20211 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 C=C(C)CCl 20429 [0,1,0,0,0,0|1,0,1]=3 52 B4R0.1 CC(=O)CBr 24199 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.1 CC(C)=CBr 29713 [0,1,0,0,0,0|1,0,1]=3 54 B4R0.1 CC(C)CI 3951 [0,1,0,0,0,0|1,0,0]=2 55 B4R0.1 CC(C)NN 26972 [0,1,0,0,0,0|2,0,0]=3 56 B4R0.1 CC(O)CBr 12555 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 CC=C(C)C 2026 [0,1,0,0,0,0|1,0,0]=2 58 B4R0.1 CCB(O)O 7960 [0,1,0,0,0,0|3,0,0]=4 59 B4R0.1 CCC(C)Br 3753 [0,1,0,0,0,0|2,0,0]=3 60 B4R0.1 CCC(C)I 3940 [0,1,0,0,0,0|2,0,0]=3 61 B4R0.1 CCC(C)O 6718 [0,1,0,0,0,0|2,0,0]=3 62 B4R0.1 CCC([NH-])=O 10938 [0,1,0,0,0,0|3,0,0]=4 63 B4R0.1 CCN(C)C 10322 [0,1,0,0,0,0|0,0,0]=1 64 B4R0.1 CCS(=O)[O-] 24643 [0,1,0,0,0,0|3,0,0]=4 65 B4R0.1 CC[C@@H](C)N 6741 [0,1,0,0,0,0|2,0,0]=3 66 B4R0.1 CC[C@@H](C)O 6717 [0,1,0,0,0,0|2,0,0]=3 67 B4R0.1 CC[C@H](C)N 6743 [0,1,0,0,0,0|2,0,0]=3 68 B4R0.1 CN(C)C=O 23341 [0,1,0,0,0,0|0,0,1]=2 69 B4R0.1 CNC(C)C 10279 [0,1,0,0,0,0|1,0,0]=2 70 B4R0.1 CNC(N)=S 35584 [0,1,0,0,0,0|3,0,0]=4 71 B4R0.1 COC(C)=N 2122 [0,1,0,0,0,0|2,0,0]=3 72 B4R0.1 COC(Cl)Cl 2376 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.1 CSC(=N)N 20041 [0,1,0,0,0,0|3,0,0]=4 74 B4R0.1 C[C@@H](Cl)CO 8287 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.1 C[C@@H](N)CN 29215 [0,1,0,0,0,0|2,0,0]=3 76 B4R0.1 C[C@@H](N)CO 9884 [0,1,0,0,0,0|2,0,0]=3 77 B4R0.1 C[C@@H](O)CBr 23955 [0,1,0,0,0,0|2,0,0]=3 78 B4R0.1 C[C@@H](O)CCl 14071 [0,1,0,0,0,0|2,0,0]=3 79 B4R0.1 C[C@@H](O)CI 23956 [0,1,0,0,0,0|2,0,0]=3 80 B4R0.1 C[C@@H](O)CN 5721 [0,1,0,0,0,0|2,0,0]=3 81 B4R0.1 C[C@@H](O)CO 5857 [0,1,0,0,0,0|2,0,0]=3 82 B4R0.1 C[C@H](Cl)CO 8285 [0,1,0,0,0,0|2,0,0]=3 83 B4R0.1 C[C@H](N)CN 15232 [0,1,0,0,0,0|2,0,0]=3 84 B4R0.1 C[C@H](N)CO 5710 [0,1,0,0,0,0|2,0,0]=3 85 B4R0.1 C[C@H](O)CBr 20478 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.1 C[C@H](O)CCl 14072 [0,1,0,0,0,0|2,0,0]=3 87 B4R0.1 C[C@H](O)CN 5720 [0,1,0,0,0,0|2,0,0]=3 88 B4R0.1 C[C@H](O)CO 5853 [0,1,0,0,0,0|2,0,0]=3 89 B4R0.1 C\C(N)=N\O 31948 [0,1,0,0,0,0|3,0,0]=4 90 B4R0.1 C\C=C(/C)Br 29073 [0,1,0,0,0,0|2,0,0]=3 91 B4R0.1 N=C(N)CCl 20222 [0,1,0,0,0,0|3,0,0]=4 92 B4R0.1 NC(=O)CBr 31995 [0,1,0,0,0,0|3,0,0]=4 93 B4R0.1 NC(=O)CI 12542 [0,1,0,0,0,0|3,0,0]=4 94 B4R0.1 NCC(=O)O 18924 [0,1,0,0,0,0|3,0,0]=4 95 B4R0.1 NCC(=O)[O-] 26210 [0,1,0,0,0,0|3,0,0]=4 96 B4R0.1 NCC(=O)[O-] 9921 [0,1,0,0,0,0|3,0,0]=4 97 B4R0.1 NCC(N)=O 13019 [0,1,0,0,0,0|3,0,0]=4 98 B4R0.1 O=C(Cl)CBr 24880 [0,1,0,0,0,0|3,0,0]=4 99 B4R0.1 O=C(O)CBr 13144 [0,1,0,0,0,0|3,0,0]=4 100 B4R0.1 OCC(F)F 26977 [0,1,0,0,0,0|3,0,0]=4 101 B4R0.1 PCC(Cl)Cl 6479 [0,1,0,0,0,0|3,0,0]=4 102 B4R0.1 [C-]#[N+]C(C)C 29396 [0,1,0,0,0,0|1,0,1]=3 103 B4R0.3 CC(C)(C)Br 3814 [0,1,0,0,0,0|1,0,0]=2 104 B4R0.3 CC(C)(C)N 18255 [0,1,0,0,0,0|1,0,0]=2 105 B4R0.3 CC(C)(C)O 3012 [0,1,0,0,0,0|1,0,0]=2 106 B4R0.3 CC(C)(C)[O-] 18949 [0,1,0,0,0,0|1,0,0]=2 107 B4R0.3 CC(C)(C)[O-] 29323 [0,1,0,0,0,0|1,0,0]=2 108 B4R0.3 CC(O)(O)O 21654 [0,1,0,0,0,0|3,0,0]=4 109 B4R0.3 CP(=O)(Cl)Cl 25538 [0,1,0,0,0,0|2,1,0]=4 110 B4R0.3 CS(=O)(=O)Cl 1917 [0,1,0,0,0,0|3,0,0]=4 111 B4R0.3 CS(=O)(=O)O 11149 [0,1,0,0,0,0|3,0,0]=4 112 B4R0.3 CS(=O)(=O)[O-] 11154 [0,1,0,0,0,0|3,0,0]=4 113 B4R0.3 CS(=O)(=O)[O-] 2058 [0,1,0,0,0,0|3,0,0]=4 114 B4R0.3 C[B-](F)(F)F 11284 [0,1,0,0,0,0|3,0,0]=4 115 B4R0.3 C[N+](C)(C)C 29006 [0,1,0,0,0,0|0,0,1]=2 116 B4R0.3 C[N+](C)(C)C 45105 [0,1,0,0,0,0|0,0,1]=2 117 B4R0.3 C[Si](C)(C)C 23760 [0,1,0,0,0,0|1,0,0]=2 118 B4R0.3 C[Si](C)(C)O 26363 [0,1,0,0,0,0|1,0,0]=2 119 B4R1.2 BrC1CC1 14417 [0,0,0,1,0,0|2,0,0]=3 120 B4R1.2 CC1=CC1 18904 [0,0,0,1,0,0|1,0,1]=3 121 B4R1.2 C[C@@H]1CO1 5829 [0,0,0,1,0,0|2,0,0]=3 122 B4R1.2 C[C@H]1CO1 5828 [0,0,0,1,0,0|2,0,0]=3 123 B4R1.2 OC1CC1 34599 [0,0,0,1,0,0|2,0,0]=3 124 B1R0.1 CF 29083 [2,0,0,0,0,0|1,0,0]=3 125 B1R0.1 CN 29301 [2,0,0,0,0,0|0,0,0]=2 126 B1R0.1 C[S-] 7072 [2,0,0,0,0,0|1,0,0]=3 127 B1R0.1 ClI 21352 [2,0,0,0,0,0|2,0,0]=4 128 B1R0.1 NN 17422 [2,0,0,0,0,0|1,0,0]=3 129 B1R0.1 NN 21005 [2,0,0,0,0,0|1,0,0]=3 130 B1R0.1 NN 26395 [2,0,0,0,0,0|1,0,0]=3 131 B1R0.1 NO 23590 [2,0,0,0,0,0|1,0,0]=3 132 B1R0.1 [C-]#[O+] 35949 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.1 C#CCBr 20264 [1,1,0,0,0,0|1,0,1]=4 134 B3R0.1 C#CCN 18842 [1,1,0,0,0,0|1,0,1]=4 135 B3R0.1 C#CCN 18845 [1,1,0,0,0,0|1,0,1]=4 136 B3R0.1 C=CCCl 35025 [1,1,0,0,0,0|1,0,1]=4 137 B3R0.1 C=CCI 12655 [1,1,0,0,0,0|1,0,1]=4 138 B3R0.1 C=CCN 19133 [1,1,0,0,0,0|1,0,1]=4 139 B3R0.1 CCCI 3977 [1,1,0,0,0,0|1,0,0]=3 140 B3R0.1 CCC[S-] 35319 [1,1,0,0,0,0|1,0,0]=3 141 B3R0.1 CCNC 10275 [1,1,0,0,0,0|0,0,0]=2 142 B3R0.1 CCNN 16833 [1,1,0,0,0,0|1,0,0]=3 143 B3R0.1 CCON 35706 [1,1,0,0,0,0|2,0,0]=4 144 B3R0.1 CC[Mg]Br 23799 [1,1,0,0,0,0|2,0,0]=4 145 B3R0.1 CNC=O 35283 [1,1,0,0,0,0|0,0,1]=3 146 B3R0.1 CNOC 25934 [1,1,0,0,0,0|0,0,0]=2 147 B3R0.1 COCBr 23167 [1,1,0,0,0,0|1,0,0]=3 148 B3R0.1 CSSC 9665 [1,1,0,0,0,0|1,0,0]=3 149 B3R0.1 N#CCBr 12656 [1,1,0,0,0,0|2,0,0]=4 150 B3R0.1 N#CCI 12543 [1,1,0,0,0,0|2,0,0]=4 151 B3R0.1 NCCBr 32344 [1,1,0,0,0,0|2,0,0]=4 152 B3R0.1 NCCF 19132 [1,1,0,0,0,0|2,0,0]=4 153 B3R0.1 NCCO 24767 [1,1,0,0,0,0|2,0,0]=4 154 B3R0.1 NNC=O 32333 [1,1,0,0,0,0|1,0,1]=4 155 B3R0.1 SCCS 12844 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 C#CCC(C)O 26123 [0,2,0,0,0,0|2,0,0]=4 157 B5R0.1 CC(=O)NCO 11062 [0,2,0,0,0,0|2,0,0]=4 158 B5R0.1 CC(Br)CCBr 3866 [0,2,0,0,0,0|2,0,0]=4 159 B5R0.1 CC(C)=CC=O 3075 [0,2,0,0,0,0|1,0,1]=4 160 B5R0.1 CC(C)=CCBr 35170 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.1 CC(C)CCI 3950 [0,2,0,0,0,0|1,0,0]=3 162 B5R0.1 CC(C)CNN 18739 [0,2,0,0,0,0|1,0,0]=3 163 B5R0.1 CC(C)N=C=S 16501 [0,2,0,0,0,0|1,0,1]=4 164 B5R0.1 CC(N)CCO 29198 [0,2,0,0,0,0|2,0,0]=4 165 B5R0.1 CCCC(C)N 26317 [0,2,0,0,0,0|2,0,0]=4 166 B5R0.1 CCC[C@@H](C)O 6721 [0,2,0,0,0,0|2,0,0]=4 167 B5R0.1 CCC[C@H](C)O 6719 [0,2,0,0,0,0|2,0,0]=4 168 B5R0.1 CCNC(C)C 10283 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.1 CCOC(C)=N 2020 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.1 CCSC(C)=S 12459 [0,2,0,0,0,0|2,0,0]=4 171 B5R0.1 CN(C)CC=O 26115 [0,2,0,0,0,0|0,0,0]=2 172 B5R0.1 CN(C)CCS 35662 [0,2,0,0,0,0|0,0,0]=2 173 B5R0.1 COCC(C)O 1904 [0,2,0,0,0,0|2,0,0]=4 174 B5R0.1 COC[C@@H](C)O 6714 [0,2,0,0,0,0|2,0,0]=4 175 B5R0.1 COC[C@H](C)O 6715 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.1 C[C@@H](O)CCO 6724 [0,2,0,0,0,0|2,0,0]=4 177 B5R0.1 C[C@H](O)CCO 6722 [0,2,0,0,0,0|2,0,0]=4 178 B5R0.3 CCC(N)CO 14779 [0,2,0,0,0,0|2,0,0]=4 179 B5R0.3 CCP(Cl)CC 6480 [0,2,0,0,0,0|1,1,0]=4 180 B5R0.3 CC[C@@H](O)CO 14093 [0,2,0,0,0,0|2,0,0]=4 181 B5R0.3 CC[C@H](C)C#N 32183 [0,2,0,0,0,0|1,0,1]=4 182 B5R0.3 CC[C@H](C)CN 16256 [0,2,0,0,0,0|1,0,0]=3 183 B5R0.3 CC[C@H](O)CO 14096 [0,2,0,0,0,0|2,0,0]=4 184 B5R0.3 COC(=O)CN 10899 [0,2,0,0,0,0|2,0,0]=4 185 B5R0.3 COC(=O)CS 10788 [0,2,0,0,0,0|2,0,0]=4 186 B5R0.3 CO[C@@H](C)CN 17733 [0,2,0,0,0,0|1,0,0]=3 187 B5R0.3 CO[C@@H](C)CN 17747 [0,2,0,0,0,0|1,0,0]=3 188 B5R0.3 CO[C@@H](C)CO 26646 [0,2,0,0,0,0|1,0,0]=3 189 B5R0.3 CO[C@H](C)CN 17734 [0,2,0,0,0,0|1,0,0]=3 190 B5R0.3 CO[C@H](C)CN 17748 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.3 NC(CO)CO 11931 [0,2,0,0,0,0|2,0,0]=4 192 B5R0.3 NC[C@@H](O)CO 5711 [0,2,0,0,0,0|2,0,0]=4 193 B5R0.3 NC[C@H](O)CCl 34211 [0,2,0,0,0,0|2,0,0]=4 194 B5R0.3 NC[C@H](O)CO 5712 [0,2,0,0,0,0|2,0,0]=4 195 B5R0.3 O=C(CO)CO 4053 [0,2,0,0,0,0|2,0,0]=4 196 B5R0.3 OC(CCl)CCl 5871 [0,2,0,0,0,0|2,0,0]=4 197 B5R0.3 OCC(O)CCl 21311 [0,2,0,0,0,0|2,0,0]=4 198 B5R0.3 OCC(O)CO 16092 [0,2,0,0,0,0|2,0,0]=4 199 B5R0.3 OC[C@@H](O)CCl 5741 [0,2,0,0,0,0|2,0,0]=4 200 B5R0.3 OC[C@H](O)CCl 5740 [0,2,0,0,0,0|2,0,0]=4 201 B5R0.4 C#CC(C)(C)C 12530 [0,2,0,0,0,0|1,0,0]=3 202 B5R0.4 C#C[Si](C)(C)C 12912 [0,2,0,0,0,0|1,0,0]=3 203 B5R0.4 C=CC(C)(C)O 36012 [0,2,0,0,0,0|1,0,1]=4 204 B5R0.4 C=C[N+](C)(C)C 13126 [0,2,0,0,0,0|0,0,1]=3 205 B5R0.4 C=C[Si](C)(C)C 17258 [0,2,0,0,0,0|1,0,0]=3 206 B5R0.4 CC(C)(C)C#N 29032 [0,2,0,0,0,0|1,0,0]=3 207 B5R0.4 CC(C)(C)C=O 1910 [0,2,0,0,0,0|1,0,0]=3 208 B5R0.4 CC(C)(C)CN 28998 [0,2,0,0,0,0|1,0,0]=3 209 B5R0.4 CC(C)(C)N=O 45117 [0,2,0,0,0,0|1,0,0]=3 210 B5R0.4 CC(C)(C)NN 35993 [0,2,0,0,0,0|1,0,0]=3 211 B5R0.4 CC(C)(C)ON 19621 [0,2,0,0,0,0|1,0,0]=3 212 B5R0.4 CC(C)(F)C#N 22301 [0,2,0,0,0,0|1,0,1]=4 213 B5R0.4 CC(C)(N)C#N 25459 [0,2,0,0,0,0|1,0,1]=4 214 B5R0.4 CC(C)(N)CN 28209 [0,2,0,0,0,0|1,0,0]=3 215 B5R0.4 CC(C)(N)CO 2208 [0,2,0,0,0,0|1,0,0]=3 216 B5R0.4 CC(C)(O)CCl 3675 [0,2,0,0,0,0|1,0,0]=3 217 B5R0.4 CC(C)(O)CN 32121 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.4 CC(C)(S)CN 28945 [0,2,0,0,0,0|1,0,0]=3 219 B5R0.4 CC(F)(F)CN 35941 [0,2,0,0,0,0|2,0,0]=4 220 B5R0.4 CC(F)(F)CO 35038 [0,2,0,0,0,0|2,0,0]=4 221 B5R0.4 CCC(C)(C)O 21405 [0,2,0,0,0,0|1,0,0]=3 222 B5R0.4 CNS(C)(=O)=O 23217 [0,2,0,0,0,0|2,0,0]=4 223 B5R0.4 CSS(C)(=O)=O 14140 [0,2,0,0,0,0|2,0,0]=4 224 B5R0.4 C[Si](C)(C)C#N 16763 [0,2,0,0,0,0|1,0,0]=3 225 B5R0.4 C[Si](C)(C)CBr 13669 [0,2,0,0,0,0|1,0,0]=3 226 B5R0.4 C[Si](C)(C)CCl 13668 [0,2,0,0,0,0|1,0,0]=3 227 B5R0.4 C[Si](C)(Cl)CCl 13667 [0,2,0,0,0,0|1,0,0]=3 228 B5R0.4 [Li]C[Si](C)(C)C 18144 [0,2,0,0,0,0|1,0,0]=3 229 B5R0.5 C=C(C)C(=C)C 36156 [0,2,0,0,0,0|1,0,1]=4 230 B5R0.5 CC(=O)C(C)Br 12679 [0,2,0,0,0,0|2,0,0]=4 231 B5R0.5 CC(Br)C(C)Br 12534 [0,2,0,0,0,0|2,0,0]=4 232 B5R0.5 CC(C)B(O)O 7987 [0,2,0,0,0,0|2,0,0]=4 233 B5R0.5 CC(C)C(=O)Cl 18648 [0,2,0,0,0,0|1,0,1]=4 234 B5R0.5 CC(C)C(C)O 32297 [0,2,0,0,0,0|1,0,0]=3 235 B5R0.5 CC(C)C(N)=O 21345 [0,2,0,0,0,0|1,0,1]=4 236 B5R0.5 CN(C)C(=N)N 19198 [0,2,0,0,0,0|0,0,1]=3 237 B5R0.5 CN(C)C(=O)Cl 29326 [0,2,0,0,0,0|0,0,1]=3 238 B5R0.5 CN(C)C(=S)Cl 35206 [0,2,0,0,0,0|0,0,1]=3 239 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [0,2,0,0,0,0|0,0,2]=4 240 B5R1.2 BrC1COC1 35713 [0,1,0,1,0,0|2,0,0]=4 241 B5R1.2 FC1CNC1 10162 [0,1,0,1,0,0|2,0,0]=4 242 B5R1.2 FC1CNC1 24864 [0,1,0,1,0,0|2,0,0]=4 243 B5R1.2 IC1COC1 29373 [0,1,0,1,0,0|2,0,0]=4 244 B5R1.2 NC1CCC1 11047 [0,1,0,1,0,0|2,0,0]=4 245 B5R1.2 NC1CCC1 35736 [0,1,0,1,0,0|2,0,0]=4 246 B5R1.2 NC1COC1 20414 [0,1,0,1,0,0|2,0,0]=4 247 B5R1.2 O=C1CCC1 9021 [0,1,0,1,0,0|2,0,0]=4 248 B5R1.2 O=C1CCO1 2546 [0,1,0,1,0,0|2,0,0]=4 249 B5R1.2 O=C1COC1 15880 [0,1,0,1,0,0|2,0,0]=4 250 B5R1.2 O=C1CSC1 25389 [0,1,0,1,0,0|2,0,0]=4 251 B5R1.2 OC1CCC1 27295 [0,1,0,1,0,0|2,0,0]=4 252 B5R1.2 OC1CNC1 10157 [0,1,0,1,0,0|2,0,0]=4 253 B5R1.2 OC1CNC1 12930 [0,1,0,1,0,0|2,0,0]=4 254 B5R1.2 OC1COC1 17367 [0,1,0,1,0,0|2,0,0]=4 255 B5R1.3 BrCC1CC1 13771 [0,1,0,1,0,0|1,0,0]=3 256 B5R1.3 BrCC1CO1 21362 [0,1,0,1,0,0|2,0,0]=4 257 B5R1.3 CC[C@@H]1CO1 14098 [0,1,0,1,0,0|2,0,0]=4 258 B5R1.3 CC[C@H]1CO1 14100 [0,1,0,1,0,0|2,0,0]=4 259 B5R1.3 ClCC1CC1 10983 [0,1,0,1,0,0|1,0,0]=3 260 B5R1.3 ClCC1CO1 5779 [0,1,0,1,0,0|2,0,0]=4 261 B5R1.3 ClCC1CO1 5780 [0,1,0,1,0,0|2,0,0]=4 262 B5R1.3 NNC1CC1 45053 [0,1,0,1,0,0|2,0,0]=4 263 B5R1.3 O=CC1CC1 12460 [0,1,0,1,0,0|1,0,1]=4 264 B5R1.3 OCC1CC1 9773 [0,1,0,1,0,0|1,0,0]=3 265 B5R1.3 OCC1CO1 21960 [0,1,0,1,0,0|2,0,0]=4 266 B5R1.3 OC[C@@H]1CO1 5832 [0,1,0,1,0,0|2,0,0]=4 267 B5R1.3 OC[C@H]1CO1 5836 [0,1,0,1,0,0|2,0,0]=4 268 B5R1.4 CC1OC1C 35217 [0,1,0,1,0,0|2,0,0]=4 269 B5R1.5 CC1(C)CO1 12772 [0,1,0,1,0,0|1,0,0]=3